USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0412 (180deg=-0.0856) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 8:sc= 1.16 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.362 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.0447 (180deg=-0.257) USER MOD Single : A 28 SER OG : rot 80:sc= 0.187 USER MOD Single : A 30 HIS : no HD1:sc= -2.91! K(o=-2.9!,f=-1.7) USER MOD Single : A 34 SER OG : rot 169:sc= -0.0986 USER MOD Single : A 38 THR OG1 : rot -150:sc= -4! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.82 K(o=-1.8,f=-6.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0849 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.908 K(o=-0.91,f=-0.4) USER MOD Single : A 57 TYR OH : rot 30:sc= -0.866 USER MOD Single : A 59 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.074) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0125) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.158) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.999 18.492 -2.269 1.00 0.00 N ATOM 2 CA MET A 1 -7.802 18.851 -1.455 1.00 0.00 C ATOM 3 C MET A 1 -6.731 19.491 -2.342 1.00 0.00 C ATOM 4 O MET A 1 -6.218 20.552 -2.043 1.00 0.00 O ATOM 5 CB MET A 1 -7.302 17.526 -0.879 1.00 0.00 C ATOM 6 CG MET A 1 -8.114 17.172 0.368 1.00 0.00 C ATOM 7 SD MET A 1 -7.641 15.524 0.950 1.00 0.00 S ATOM 8 CE MET A 1 -8.938 15.344 2.199 1.00 0.00 C ATOM 0 H1 MET A 1 -9.852 18.890 -1.827 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.894 18.878 -3.229 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.087 17.457 -2.320 1.00 0.00 H new ATOM 0 HA MET A 1 -8.036 19.572 -0.672 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.396 16.735 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.244 17.603 -0.627 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.938 17.910 1.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.180 17.197 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.835 14.378 2.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.846 16.141 2.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.915 15.404 1.720 1.00 0.00 H new ATOM 20 N LYS A 2 -6.390 18.849 -3.433 1.00 0.00 N ATOM 21 CA LYS A 2 -5.348 19.404 -4.359 1.00 0.00 C ATOM 22 C LYS A 2 -4.059 19.733 -3.594 1.00 0.00 C ATOM 23 O LYS A 2 -3.895 20.823 -3.080 1.00 0.00 O ATOM 24 CB LYS A 2 -5.965 20.680 -4.950 1.00 0.00 C ATOM 25 CG LYS A 2 -6.398 20.425 -6.397 1.00 0.00 C ATOM 26 CD LYS A 2 -7.794 19.798 -6.411 1.00 0.00 C ATOM 27 CE LYS A 2 -7.668 18.273 -6.400 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.769 17.791 -7.280 1.00 0.00 N ATOM 0 H LYS A 2 -6.791 17.958 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.076 18.688 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.823 20.990 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.241 21.495 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.403 21.361 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.686 19.763 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.363 20.133 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.341 20.122 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.695 17.954 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.767 17.876 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.749 16.752 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.683 18.104 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.645 18.180 -8.236 1.00 0.00 H new ATOM 42 N LYS A 3 -3.148 18.795 -3.519 1.00 0.00 N ATOM 43 CA LYS A 3 -1.868 19.044 -2.790 1.00 0.00 C ATOM 44 C LYS A 3 -0.909 19.861 -3.664 1.00 0.00 C ATOM 45 O LYS A 3 -1.048 19.909 -4.872 1.00 0.00 O ATOM 46 CB LYS A 3 -1.293 17.651 -2.498 1.00 0.00 C ATOM 47 CG LYS A 3 -1.040 16.894 -3.813 1.00 0.00 C ATOM 48 CD LYS A 3 -1.620 15.480 -3.720 1.00 0.00 C ATOM 49 CE LYS A 3 -1.595 14.825 -5.103 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.746 13.880 -5.102 1.00 0.00 N ATOM 0 H LYS A 3 -3.236 17.867 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.019 19.615 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.362 17.744 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.986 17.087 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.497 17.430 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.030 16.845 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.042 14.884 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.642 15.519 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.695 15.568 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.655 14.302 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.795 13.392 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.620 13.180 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.628 14.407 -4.943 1.00 0.00 H new ATOM 64 N ASP A 4 0.060 20.499 -3.059 1.00 0.00 N ATOM 65 CA ASP A 4 1.034 21.313 -3.845 1.00 0.00 C ATOM 66 C ASP A 4 2.203 20.433 -4.315 1.00 0.00 C ATOM 67 O ASP A 4 2.308 19.291 -3.909 1.00 0.00 O ATOM 68 CB ASP A 4 1.527 22.386 -2.872 1.00 0.00 C ATOM 69 CG ASP A 4 0.754 23.686 -3.106 1.00 0.00 C ATOM 70 OD1 ASP A 4 1.091 24.393 -4.041 1.00 0.00 O ATOM 71 OD2 ASP A 4 -0.163 23.951 -2.346 1.00 0.00 O ATOM 0 H ASP A 4 0.219 20.491 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 4 0.585 21.747 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.390 22.050 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.595 22.556 -3.012 1.00 0.00 H new ATOM 76 N PRO A 5 3.051 20.983 -5.158 1.00 0.00 N ATOM 77 CA PRO A 5 4.212 20.209 -5.665 1.00 0.00 C ATOM 78 C PRO A 5 5.249 20.011 -4.554 1.00 0.00 C ATOM 79 O PRO A 5 5.986 19.043 -4.551 1.00 0.00 O ATOM 80 CB PRO A 5 4.771 21.086 -6.783 1.00 0.00 C ATOM 81 CG PRO A 5 4.330 22.473 -6.445 1.00 0.00 C ATOM 82 CD PRO A 5 3.021 22.349 -5.711 1.00 0.00 C ATOM 0 HA PRO A 5 3.943 19.211 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.858 21.018 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.389 20.777 -7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.074 22.975 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.211 23.071 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.933 23.097 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.173 22.490 -6.381 1.00 0.00 H new ATOM 90 N ASN A 6 5.305 20.919 -3.614 1.00 0.00 N ATOM 91 CA ASN A 6 6.289 20.790 -2.498 1.00 0.00 C ATOM 92 C ASN A 6 5.701 19.931 -1.374 1.00 0.00 C ATOM 93 O ASN A 6 6.413 19.221 -0.688 1.00 0.00 O ATOM 94 CB ASN A 6 6.528 22.220 -2.013 1.00 0.00 C ATOM 95 CG ASN A 6 7.258 23.012 -3.100 1.00 0.00 C ATOM 96 OD1 ASN A 6 6.690 23.895 -3.710 1.00 0.00 O ATOM 97 ND2 ASN A 6 8.505 22.732 -3.366 1.00 0.00 N ATOM 0 H ASN A 6 4.710 21.746 -3.571 1.00 0.00 H new ATOM 0 HA ASN A 6 7.214 20.309 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.578 22.698 -1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.118 22.211 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.003 23.255 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.982 21.990 -2.853 1.00 0.00 H new ATOM 104 N ALA A 7 4.407 19.990 -1.187 1.00 0.00 N ATOM 105 CA ALA A 7 3.761 19.177 -0.111 1.00 0.00 C ATOM 106 C ALA A 7 3.881 17.680 -0.436 1.00 0.00 C ATOM 107 O ALA A 7 4.107 17.319 -1.575 1.00 0.00 O ATOM 108 CB ALA A 7 2.291 19.604 -0.109 1.00 0.00 C ATOM 0 H ALA A 7 3.768 20.567 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 7 4.231 19.335 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.752 19.048 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.222 20.671 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.851 19.397 -1.084 1.00 0.00 H new ATOM 114 N PRO A 8 3.722 16.849 0.571 1.00 0.00 N ATOM 115 CA PRO A 8 3.810 15.395 0.363 1.00 0.00 C ATOM 116 C PRO A 8 2.508 14.847 -0.226 1.00 0.00 C ATOM 117 O PRO A 8 1.424 15.241 0.164 1.00 0.00 O ATOM 118 CB PRO A 8 4.097 14.835 1.735 1.00 0.00 C ATOM 119 CG PRO A 8 3.625 15.859 2.698 1.00 0.00 C ATOM 120 CD PRO A 8 3.444 17.169 1.971 1.00 0.00 C ATOM 0 HA PRO A 8 4.584 15.117 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.579 13.888 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.162 14.640 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.684 15.546 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.345 15.974 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.433 17.557 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.127 17.930 2.348 1.00 0.00 H new ATOM 128 N LYS A 9 2.611 13.961 -1.181 1.00 0.00 N ATOM 129 CA LYS A 9 1.387 13.396 -1.831 1.00 0.00 C ATOM 130 C LYS A 9 0.646 12.439 -0.894 1.00 0.00 C ATOM 131 O LYS A 9 1.017 12.248 0.249 1.00 0.00 O ATOM 132 CB LYS A 9 1.895 12.643 -3.060 1.00 0.00 C ATOM 133 CG LYS A 9 2.131 13.633 -4.203 1.00 0.00 C ATOM 134 CD LYS A 9 3.505 14.286 -4.038 1.00 0.00 C ATOM 135 CE LYS A 9 3.913 14.956 -5.352 1.00 0.00 C ATOM 136 NZ LYS A 9 5.347 15.313 -5.171 1.00 0.00 N ATOM 0 H LYS A 9 3.494 13.601 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 9 0.679 14.183 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.820 12.119 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.170 11.888 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.074 13.118 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.352 14.396 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.475 15.023 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.244 13.536 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.777 14.282 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.307 15.841 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.700 15.778 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.444 15.961 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.900 14.450 -4.992 1.00 0.00 H new ATOM 150 N ARG A 10 -0.407 11.839 -1.388 1.00 0.00 N ATOM 151 CA ARG A 10 -1.204 10.885 -0.556 1.00 0.00 C ATOM 152 C ARG A 10 -0.312 9.729 -0.073 1.00 0.00 C ATOM 153 O ARG A 10 0.534 9.264 -0.812 1.00 0.00 O ATOM 154 CB ARG A 10 -2.301 10.362 -1.484 1.00 0.00 C ATOM 155 CG ARG A 10 -3.387 11.429 -1.645 1.00 0.00 C ATOM 156 CD ARG A 10 -4.721 10.755 -1.972 1.00 0.00 C ATOM 157 NE ARG A 10 -5.353 10.491 -0.650 1.00 0.00 N ATOM 158 CZ ARG A 10 -6.652 10.405 -0.554 1.00 0.00 C ATOM 159 NH1 ARG A 10 -7.409 11.315 -1.102 1.00 0.00 N ATOM 160 NH2 ARG A 10 -7.193 9.408 0.091 1.00 0.00 N ATOM 0 H ARG A 10 -0.752 11.970 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.618 11.362 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.879 10.108 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.732 9.448 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.477 12.012 -0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.114 12.124 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.348 11.399 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.570 9.830 -2.529 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.771 10.377 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.986 12.094 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.424 11.247 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.601 8.697 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.208 9.340 0.166 1.00 0.00 H new ATOM 174 N PRO A 11 -0.517 9.296 1.155 1.00 0.00 N ATOM 175 CA PRO A 11 0.302 8.188 1.701 1.00 0.00 C ATOM 176 C PRO A 11 -0.192 6.836 1.159 1.00 0.00 C ATOM 177 O PRO A 11 -1.383 6.629 1.033 1.00 0.00 O ATOM 178 CB PRO A 11 0.074 8.278 3.206 1.00 0.00 C ATOM 179 CG PRO A 11 -1.256 8.948 3.367 1.00 0.00 C ATOM 180 CD PRO A 11 -1.504 9.781 2.135 1.00 0.00 C ATOM 0 HA PRO A 11 1.354 8.262 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.073 7.289 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.864 8.852 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.045 8.206 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.263 9.574 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.523 9.653 1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.370 10.843 2.341 1.00 0.00 H new ATOM 188 N PRO A 12 0.733 5.945 0.858 1.00 0.00 N ATOM 189 CA PRO A 12 0.343 4.610 0.335 1.00 0.00 C ATOM 190 C PRO A 12 -0.264 3.765 1.458 1.00 0.00 C ATOM 191 O PRO A 12 -0.570 4.268 2.523 1.00 0.00 O ATOM 192 CB PRO A 12 1.662 4.012 -0.147 1.00 0.00 C ATOM 193 CG PRO A 12 2.717 4.707 0.649 1.00 0.00 C ATOM 194 CD PRO A 12 2.195 6.082 0.968 1.00 0.00 C ATOM 0 HA PRO A 12 -0.406 4.657 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.690 2.935 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.802 4.176 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.935 4.156 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.647 4.769 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.492 6.399 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.579 6.826 0.270 1.00 0.00 H new ATOM 202 N SER A 13 -0.447 2.487 1.229 1.00 0.00 N ATOM 203 CA SER A 13 -1.041 1.614 2.288 1.00 0.00 C ATOM 204 C SER A 13 -0.843 0.136 1.955 1.00 0.00 C ATOM 205 O SER A 13 -1.749 -0.660 2.101 1.00 0.00 O ATOM 206 CB SER A 13 -2.527 1.965 2.299 1.00 0.00 C ATOM 207 OG SER A 13 -2.727 3.144 3.070 1.00 0.00 O ATOM 0 H SER A 13 -0.211 2.013 0.357 1.00 0.00 H new ATOM 0 HA SER A 13 -0.570 1.776 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.884 2.118 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.104 1.141 2.718 1.00 0.00 H new ATOM 0 HG SER A 13 -1.858 3.529 3.310 1.00 0.00 H new ATOM 213 N ALA A 14 0.328 -0.238 1.482 1.00 0.00 N ATOM 214 CA ALA A 14 0.599 -1.669 1.107 1.00 0.00 C ATOM 215 C ALA A 14 -0.205 -2.029 -0.139 1.00 0.00 C ATOM 216 O ALA A 14 0.343 -2.150 -1.219 1.00 0.00 O ATOM 217 CB ALA A 14 0.191 -2.546 2.306 1.00 0.00 C ATOM 0 H ALA A 14 1.115 0.394 1.339 1.00 0.00 H new ATOM 0 HA ALA A 14 1.653 -1.828 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.374 -3.594 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.778 -2.263 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.868 -2.402 2.518 1.00 0.00 H new ATOM 223 N PHE A 15 -1.496 -2.205 -0.006 1.00 0.00 N ATOM 224 CA PHE A 15 -2.327 -2.562 -1.201 1.00 0.00 C ATOM 225 C PHE A 15 -2.217 -1.466 -2.268 1.00 0.00 C ATOM 226 O PHE A 15 -2.378 -1.723 -3.448 1.00 0.00 O ATOM 227 CB PHE A 15 -3.769 -2.670 -0.679 1.00 0.00 C ATOM 228 CG PHE A 15 -4.712 -2.961 -1.828 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.601 -4.161 -2.541 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.689 -2.023 -2.185 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.467 -4.423 -3.610 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.553 -2.285 -3.254 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.443 -3.485 -3.966 1.00 0.00 C ATOM 0 H PHE A 15 -2.009 -2.118 0.871 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.999 -3.492 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.837 -3.461 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.057 -1.741 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.848 -4.884 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.775 -1.097 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.382 -5.349 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.305 -1.561 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.111 -3.687 -4.790 1.00 0.00 H new ATOM 243 N PHE A 16 -1.951 -0.249 -1.864 1.00 0.00 N ATOM 244 CA PHE A 16 -1.841 0.860 -2.859 1.00 0.00 C ATOM 245 C PHE A 16 -0.593 0.676 -3.718 1.00 0.00 C ATOM 246 O PHE A 16 -0.594 1.002 -4.888 1.00 0.00 O ATOM 247 CB PHE A 16 -1.755 2.146 -2.037 1.00 0.00 C ATOM 248 CG PHE A 16 -2.299 3.298 -2.848 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.516 3.879 -3.851 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.589 3.782 -2.597 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.021 4.946 -4.604 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.094 4.849 -3.350 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.310 5.431 -4.353 1.00 0.00 C ATOM 0 H PHE A 16 -1.806 0.023 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.692 0.883 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.322 2.038 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.720 2.342 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.522 3.504 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.194 3.333 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.416 5.395 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.089 5.223 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.700 6.254 -4.933 1.00 0.00 H new ATOM 263 N LEU A 17 0.457 0.118 -3.164 1.00 0.00 N ATOM 264 CA LEU A 17 1.682 -0.123 -3.982 1.00 0.00 C ATOM 265 C LEU A 17 1.325 -1.192 -5.012 1.00 0.00 C ATOM 266 O LEU A 17 1.236 -0.920 -6.192 1.00 0.00 O ATOM 267 CB LEU A 17 2.741 -0.622 -2.999 1.00 0.00 C ATOM 268 CG LEU A 17 3.247 0.550 -2.154 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.322 0.755 -0.955 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.658 0.250 -1.651 1.00 0.00 C ATOM 0 H LEU A 17 0.517 -0.178 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 17 2.050 0.758 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.319 -1.393 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.570 -1.078 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 17 3.260 1.452 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.684 1.590 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.313 0.971 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.308 -0.150 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.015 1.086 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.643 -0.654 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.324 0.104 -2.501 1.00 0.00 H new ATOM 282 N PHE A 18 1.124 -2.408 -4.544 1.00 0.00 N ATOM 283 CA PHE A 18 0.751 -3.561 -5.444 1.00 0.00 C ATOM 284 C PHE A 18 -0.181 -3.085 -6.579 1.00 0.00 C ATOM 285 O PHE A 18 0.126 -3.245 -7.745 1.00 0.00 O ATOM 286 CB PHE A 18 0.030 -4.559 -4.526 1.00 0.00 C ATOM 287 CG PHE A 18 -0.477 -5.739 -5.330 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.393 -6.779 -5.679 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.819 -5.787 -5.723 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.081 -7.868 -6.422 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.294 -6.877 -6.466 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.425 -7.917 -6.815 1.00 0.00 C ATOM 0 H PHE A 18 1.204 -2.656 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 18 1.621 -4.006 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.710 -4.905 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.803 -4.066 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.429 -6.742 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.489 -4.984 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.590 -8.670 -6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.330 -6.914 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.790 -8.757 -7.387 1.00 0.00 H new ATOM 302 N CYS A 19 -1.312 -2.506 -6.248 1.00 0.00 N ATOM 303 CA CYS A 19 -2.238 -2.030 -7.317 1.00 0.00 C ATOM 304 C CYS A 19 -1.582 -0.918 -8.141 1.00 0.00 C ATOM 305 O CYS A 19 -1.719 -0.871 -9.349 1.00 0.00 O ATOM 306 CB CYS A 19 -3.474 -1.503 -6.588 1.00 0.00 C ATOM 307 SG CYS A 19 -4.759 -1.088 -7.794 1.00 0.00 S ATOM 0 H CYS A 19 -1.629 -2.345 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.493 -2.829 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.845 -2.254 -5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.214 -0.622 -6.001 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.810 -0.642 -7.172 1.00 0.00 H new ATOM 313 N SER A 20 -0.879 -0.019 -7.498 1.00 0.00 N ATOM 314 CA SER A 20 -0.222 1.098 -8.247 1.00 0.00 C ATOM 315 C SER A 20 0.749 0.550 -9.299 1.00 0.00 C ATOM 316 O SER A 20 0.928 1.143 -10.347 1.00 0.00 O ATOM 317 CB SER A 20 0.534 1.916 -7.198 1.00 0.00 C ATOM 318 OG SER A 20 1.354 2.874 -7.854 1.00 0.00 O ATOM 0 H SER A 20 -0.731 -0.010 -6.489 1.00 0.00 H new ATOM 0 HA SER A 20 -0.955 1.704 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.170 2.417 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.145 1.259 -6.579 1.00 0.00 H new ATOM 0 HG SER A 20 1.839 3.402 -7.186 1.00 0.00 H new ATOM 324 N GLU A 21 1.384 -0.568 -9.030 1.00 0.00 N ATOM 325 CA GLU A 21 2.346 -1.131 -10.025 1.00 0.00 C ATOM 326 C GLU A 21 1.635 -2.053 -11.024 1.00 0.00 C ATOM 327 O GLU A 21 2.063 -2.175 -12.157 1.00 0.00 O ATOM 328 CB GLU A 21 3.399 -1.893 -9.210 1.00 0.00 C ATOM 329 CG GLU A 21 2.746 -3.024 -8.417 1.00 0.00 C ATOM 330 CD GLU A 21 3.816 -4.033 -7.991 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.744 -4.240 -8.755 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.686 -4.582 -6.910 1.00 0.00 O ATOM 0 H GLU A 21 1.277 -1.109 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 21 2.806 -0.343 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.159 -2.300 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.906 -1.209 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.240 -2.622 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.987 -3.517 -9.024 1.00 0.00 H new ATOM 339 N HIS A 22 0.557 -2.702 -10.635 1.00 0.00 N ATOM 340 CA HIS A 22 -0.159 -3.606 -11.592 1.00 0.00 C ATOM 341 C HIS A 22 -1.365 -2.890 -12.219 1.00 0.00 C ATOM 342 O HIS A 22 -2.228 -3.521 -12.800 1.00 0.00 O ATOM 343 CB HIS A 22 -0.644 -4.782 -10.742 1.00 0.00 C ATOM 344 CG HIS A 22 0.527 -5.601 -10.279 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.308 -6.338 -11.155 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.053 -5.820 -9.031 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.252 -6.964 -10.426 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.141 -6.681 -9.126 1.00 0.00 N ATOM 0 H HIS A 22 0.147 -2.644 -9.703 1.00 0.00 H new ATOM 0 HA HIS A 22 0.490 -3.919 -12.410 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.203 -4.413 -9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.326 -5.404 -11.322 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.679 -5.389 -8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.006 -7.615 -10.842 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.728 -7.023 -8.365 1.00 0.00 H new ATOM 356 N ARG A 23 -1.433 -1.585 -12.111 1.00 0.00 N ATOM 357 CA ARG A 23 -2.580 -0.840 -12.705 1.00 0.00 C ATOM 358 C ARG A 23 -2.412 -0.679 -14.229 1.00 0.00 C ATOM 359 O ARG A 23 -3.358 -0.904 -14.960 1.00 0.00 O ATOM 360 CB ARG A 23 -2.598 0.520 -11.998 1.00 0.00 C ATOM 361 CG ARG A 23 -3.780 1.347 -12.508 1.00 0.00 C ATOM 362 CD ARG A 23 -4.201 2.353 -11.432 1.00 0.00 C ATOM 363 NE ARG A 23 -4.704 1.527 -10.297 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.297 2.102 -9.287 1.00 0.00 C ATOM 365 NH1 ARG A 23 -6.498 2.593 -9.428 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.687 2.190 -8.136 1.00 0.00 N ATOM 0 H ARG A 23 -0.741 -1.006 -11.636 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.520 -1.374 -12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.677 0.380 -10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.664 1.050 -12.183 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.503 1.871 -13.423 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.616 0.692 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.360 2.974 -11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.975 3.025 -11.803 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.585 0.514 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.973 2.527 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.961 3.042 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.747 1.809 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.150 2.639 -7.346 1.00 0.00 H new ATOM 380 N PRO A 24 -1.227 -0.305 -14.688 1.00 0.00 N ATOM 381 CA PRO A 24 -1.022 -0.147 -16.150 1.00 0.00 C ATOM 382 C PRO A 24 -0.937 -1.517 -16.845 1.00 0.00 C ATOM 383 O PRO A 24 -0.878 -1.595 -18.057 1.00 0.00 O ATOM 384 CB PRO A 24 0.303 0.599 -16.259 1.00 0.00 C ATOM 385 CG PRO A 24 1.036 0.280 -14.998 1.00 0.00 C ATOM 386 CD PRO A 24 0.005 0.001 -13.934 1.00 0.00 C ATOM 0 HA PRO A 24 -1.843 0.383 -16.632 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.866 0.276 -17.134 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.143 1.672 -16.361 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.685 -0.584 -15.140 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.675 1.113 -14.704 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.302 -0.836 -13.302 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.133 0.861 -13.279 1.00 0.00 H new ATOM 394 N LYS A 25 -0.937 -2.596 -16.092 1.00 0.00 N ATOM 395 CA LYS A 25 -0.864 -3.950 -16.718 1.00 0.00 C ATOM 396 C LYS A 25 -2.275 -4.453 -17.035 1.00 0.00 C ATOM 397 O LYS A 25 -2.532 -4.964 -18.110 1.00 0.00 O ATOM 398 CB LYS A 25 -0.199 -4.840 -15.667 1.00 0.00 C ATOM 399 CG LYS A 25 0.237 -6.154 -16.317 1.00 0.00 C ATOM 400 CD LYS A 25 1.636 -5.990 -16.913 1.00 0.00 C ATOM 401 CE LYS A 25 2.118 -7.333 -17.466 1.00 0.00 C ATOM 402 NZ LYS A 25 2.875 -7.960 -16.347 1.00 0.00 N ATOM 0 H LYS A 25 -0.984 -2.593 -15.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.306 -3.946 -17.655 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.663 -4.331 -15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.893 -5.038 -14.850 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.237 -6.955 -15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.470 -6.439 -17.096 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.619 -5.243 -17.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.327 -5.630 -16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.279 -7.957 -17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.751 -7.195 -18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.238 -8.886 -16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.671 -7.347 -16.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.245 -8.085 -15.529 1.00 0.00 H new ATOM 416 N ILE A 26 -3.192 -4.300 -16.111 1.00 0.00 N ATOM 417 CA ILE A 26 -4.593 -4.759 -16.362 1.00 0.00 C ATOM 418 C ILE A 26 -5.227 -3.900 -17.461 1.00 0.00 C ATOM 419 O ILE A 26 -6.132 -4.333 -18.147 1.00 0.00 O ATOM 420 CB ILE A 26 -5.333 -4.578 -15.030 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.647 -5.413 -13.934 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.788 -5.035 -15.184 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.633 -6.898 -14.320 1.00 0.00 C ATOM 0 H ILE A 26 -3.031 -3.878 -15.196 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.636 -5.795 -16.697 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.310 -3.525 -14.748 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.626 -5.060 -13.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.171 -5.282 -12.987 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.312 -4.906 -14.237 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.277 -4.438 -15.954 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.811 -6.086 -15.471 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.144 -7.474 -13.534 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.657 -7.251 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.088 -7.026 -15.255 1.00 0.00 H new ATOM 435 N LYS A 27 -4.738 -2.699 -17.649 1.00 0.00 N ATOM 436 CA LYS A 27 -5.290 -1.819 -18.724 1.00 0.00 C ATOM 437 C LYS A 27 -4.827 -2.321 -20.098 1.00 0.00 C ATOM 438 O LYS A 27 -5.470 -2.079 -21.102 1.00 0.00 O ATOM 439 CB LYS A 27 -4.719 -0.430 -18.437 1.00 0.00 C ATOM 440 CG LYS A 27 -5.542 0.243 -17.338 1.00 0.00 C ATOM 441 CD LYS A 27 -4.870 1.555 -16.924 1.00 0.00 C ATOM 442 CE LYS A 27 -5.464 2.714 -17.730 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.471 2.981 -18.808 1.00 0.00 N ATOM 0 H LYS A 27 -3.979 -2.290 -17.103 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.380 -1.811 -18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.677 -0.510 -18.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.737 0.176 -19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.554 0.437 -17.695 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.629 -0.420 -16.477 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.015 1.729 -15.858 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.795 1.494 -17.094 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.436 2.449 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.614 3.594 -17.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.969 3.266 -19.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.831 3.744 -18.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.919 2.119 -18.993 1.00 0.00 H new ATOM 457 N SER A 28 -3.721 -3.029 -20.146 1.00 0.00 N ATOM 458 CA SER A 28 -3.221 -3.559 -21.454 1.00 0.00 C ATOM 459 C SER A 28 -4.111 -4.720 -21.905 1.00 0.00 C ATOM 460 O SER A 28 -4.566 -4.763 -23.033 1.00 0.00 O ATOM 461 CB SER A 28 -1.798 -4.045 -21.176 1.00 0.00 C ATOM 462 OG SER A 28 -0.977 -2.932 -20.847 1.00 0.00 O ATOM 0 H SER A 28 -3.145 -3.261 -19.337 1.00 0.00 H new ATOM 0 HA SER A 28 -3.237 -2.809 -22.244 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.801 -4.764 -20.357 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.400 -4.559 -22.051 1.00 0.00 H new ATOM 0 HG SER A 28 -1.119 -2.687 -19.909 1.00 0.00 H new ATOM 468 N GLU A 29 -4.376 -5.649 -21.021 1.00 0.00 N ATOM 469 CA GLU A 29 -5.260 -6.803 -21.377 1.00 0.00 C ATOM 470 C GLU A 29 -6.742 -6.387 -21.312 1.00 0.00 C ATOM 471 O GLU A 29 -7.625 -7.172 -21.601 1.00 0.00 O ATOM 472 CB GLU A 29 -4.958 -7.873 -20.328 1.00 0.00 C ATOM 473 CG GLU A 29 -3.560 -8.446 -20.569 1.00 0.00 C ATOM 474 CD GLU A 29 -3.587 -9.362 -21.792 1.00 0.00 C ATOM 475 OE1 GLU A 29 -4.189 -10.420 -21.703 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.004 -8.992 -22.798 1.00 0.00 O ATOM 0 H GLU A 29 -4.018 -5.659 -20.066 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.078 -7.161 -22.390 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.019 -7.444 -19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.702 -8.668 -20.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.846 -7.637 -20.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.227 -9.002 -19.692 1.00 0.00 H new ATOM 483 N HIS A 30 -7.018 -5.152 -20.955 1.00 0.00 N ATOM 484 CA HIS A 30 -8.425 -4.670 -20.890 1.00 0.00 C ATOM 485 C HIS A 30 -8.441 -3.174 -21.227 1.00 0.00 C ATOM 486 O HIS A 30 -8.446 -2.345 -20.339 1.00 0.00 O ATOM 487 CB HIS A 30 -8.888 -4.901 -19.448 1.00 0.00 C ATOM 488 CG HIS A 30 -8.812 -6.366 -19.111 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.901 -7.212 -19.242 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.786 -7.145 -18.639 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.509 -8.440 -18.854 1.00 0.00 C ATOM 492 NE2 HIS A 30 -8.228 -8.453 -18.476 1.00 0.00 N ATOM 0 H HIS A 30 -6.316 -4.455 -20.705 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.079 -5.188 -21.591 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.265 -4.329 -18.761 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.910 -4.543 -19.324 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.787 -6.795 -18.426 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.151 -9.308 -18.849 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.690 -9.251 -18.140 1.00 0.00 H new ATOM 500 N PRO A 31 -8.431 -2.867 -22.505 1.00 0.00 N ATOM 501 CA PRO A 31 -8.427 -1.447 -22.936 1.00 0.00 C ATOM 502 C PRO A 31 -9.719 -0.761 -22.501 1.00 0.00 C ATOM 503 O PRO A 31 -10.767 -0.954 -23.088 1.00 0.00 O ATOM 504 CB PRO A 31 -8.314 -1.531 -24.458 1.00 0.00 C ATOM 505 CG PRO A 31 -8.843 -2.887 -24.797 1.00 0.00 C ATOM 506 CD PRO A 31 -8.438 -3.781 -23.658 1.00 0.00 C ATOM 0 HA PRO A 31 -7.619 -0.861 -22.498 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.894 -0.746 -24.943 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.281 -1.414 -24.787 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.927 -2.867 -24.912 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.429 -3.244 -25.740 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.143 -4.601 -23.519 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.458 -4.228 -23.825 1.00 0.00 H new ATOM 514 N GLY A 32 -9.646 0.027 -21.461 1.00 0.00 N ATOM 515 CA GLY A 32 -10.860 0.724 -20.957 1.00 0.00 C ATOM 516 C GLY A 32 -11.533 -0.157 -19.906 1.00 0.00 C ATOM 517 O GLY A 32 -12.696 -0.496 -20.021 1.00 0.00 O ATOM 0 H GLY A 32 -8.791 0.217 -20.938 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.590 1.688 -20.525 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.548 0.925 -21.778 1.00 0.00 H new ATOM 521 N LEU A 33 -10.825 -0.492 -18.856 1.00 0.00 N ATOM 522 CA LEU A 33 -11.417 -1.304 -17.756 1.00 0.00 C ATOM 523 C LEU A 33 -11.617 -0.364 -16.560 1.00 0.00 C ATOM 524 O LEU A 33 -10.883 0.599 -16.423 1.00 0.00 O ATOM 525 CB LEU A 33 -10.353 -2.387 -17.478 1.00 0.00 C ATOM 526 CG LEU A 33 -10.878 -3.536 -16.585 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.839 -3.105 -15.123 1.00 0.00 C ATOM 528 CD2 LEU A 33 -12.311 -3.942 -16.964 1.00 0.00 C ATOM 0 H LEU A 33 -9.849 -0.232 -18.715 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.380 -1.763 -17.979 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.007 -2.800 -18.426 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.490 -1.926 -16.997 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.233 -4.401 -16.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.209 -3.915 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.813 -2.867 -14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.467 -2.224 -14.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.644 -4.751 -16.314 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.975 -3.086 -16.846 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.332 -4.277 -18.001 1.00 0.00 H new ATOM 540 N SER A 34 -12.580 -0.599 -15.698 1.00 0.00 N ATOM 541 CA SER A 34 -12.770 0.332 -14.539 1.00 0.00 C ATOM 542 C SER A 34 -11.756 0.025 -13.433 1.00 0.00 C ATOM 543 O SER A 34 -11.158 -1.031 -13.404 1.00 0.00 O ATOM 544 CB SER A 34 -14.194 0.071 -14.044 1.00 0.00 C ATOM 545 OG SER A 34 -14.332 -1.305 -13.719 1.00 0.00 O ATOM 0 H SER A 34 -13.232 -1.382 -15.745 1.00 0.00 H new ATOM 0 HA SER A 34 -12.621 1.373 -14.825 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.406 0.686 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.915 0.349 -14.812 1.00 0.00 H new ATOM 0 HG SER A 34 -15.174 -1.445 -13.238 1.00 0.00 H new ATOM 551 N ILE A 35 -11.561 0.943 -12.521 1.00 0.00 N ATOM 552 CA ILE A 35 -10.584 0.706 -11.413 1.00 0.00 C ATOM 553 C ILE A 35 -11.172 -0.247 -10.358 1.00 0.00 C ATOM 554 O ILE A 35 -10.501 -0.607 -9.412 1.00 0.00 O ATOM 555 CB ILE A 35 -10.319 2.088 -10.803 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.750 3.020 -11.877 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.309 1.961 -9.659 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.765 4.461 -11.362 1.00 0.00 C ATOM 0 H ILE A 35 -12.035 1.846 -12.495 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.669 0.239 -11.777 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.254 2.497 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.732 2.723 -12.129 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.340 2.943 -12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.123 2.944 -9.227 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.709 1.298 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.375 1.550 -10.042 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.360 5.125 -12.126 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.789 4.755 -11.132 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.156 4.532 -10.461 1.00 0.00 H new ATOM 570 N GLY A 36 -12.412 -0.655 -10.507 1.00 0.00 N ATOM 571 CA GLY A 36 -13.021 -1.581 -9.506 1.00 0.00 C ATOM 572 C GLY A 36 -12.761 -3.030 -9.923 1.00 0.00 C ATOM 573 O GLY A 36 -12.404 -3.863 -9.112 1.00 0.00 O ATOM 0 H GLY A 36 -13.024 -0.386 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.598 -1.395 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.093 -1.400 -9.433 1.00 0.00 H new ATOM 577 N ASP A 37 -12.941 -3.333 -11.183 1.00 0.00 N ATOM 578 CA ASP A 37 -12.710 -4.730 -11.665 1.00 0.00 C ATOM 579 C ASP A 37 -11.231 -5.106 -11.531 1.00 0.00 C ATOM 580 O ASP A 37 -10.893 -6.113 -10.936 1.00 0.00 O ATOM 581 CB ASP A 37 -13.130 -4.727 -13.135 1.00 0.00 C ATOM 582 CG ASP A 37 -14.655 -4.639 -13.231 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.198 -3.636 -12.799 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.252 -5.576 -13.735 1.00 0.00 O ATOM 0 H ASP A 37 -13.239 -2.672 -11.901 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.275 -5.458 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.673 -3.884 -13.653 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.776 -5.633 -13.627 1.00 0.00 H new ATOM 589 N THR A 38 -10.347 -4.305 -12.077 1.00 0.00 N ATOM 590 CA THR A 38 -8.889 -4.622 -11.979 1.00 0.00 C ATOM 591 C THR A 38 -8.446 -4.602 -10.511 1.00 0.00 C ATOM 592 O THR A 38 -7.560 -5.334 -10.112 1.00 0.00 O ATOM 593 CB THR A 38 -8.170 -3.536 -12.794 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.770 -3.769 -12.753 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.463 -2.151 -12.218 1.00 0.00 C ATOM 0 H THR A 38 -10.572 -3.449 -12.584 1.00 0.00 H new ATOM 0 HA THR A 38 -8.656 -5.615 -12.364 1.00 0.00 H new ATOM 0 HB THR A 38 -8.529 -3.575 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.294 -2.915 -12.824 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.945 -1.395 -12.808 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.536 -1.964 -12.249 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.116 -2.106 -11.186 1.00 0.00 H new ATOM 603 N ALA A 39 -9.062 -3.772 -9.708 1.00 0.00 N ATOM 604 CA ALA A 39 -8.689 -3.699 -8.262 1.00 0.00 C ATOM 605 C ALA A 39 -9.249 -4.913 -7.525 1.00 0.00 C ATOM 606 O ALA A 39 -8.631 -5.440 -6.620 1.00 0.00 O ATOM 607 CB ALA A 39 -9.330 -2.414 -7.741 1.00 0.00 C ATOM 0 H ALA A 39 -9.810 -3.139 -9.992 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.609 -3.696 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.098 -2.295 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.940 -1.561 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.411 -2.468 -7.871 1.00 0.00 H new ATOM 613 N LYS A 40 -10.410 -5.369 -7.923 1.00 0.00 N ATOM 614 CA LYS A 40 -11.011 -6.566 -7.263 1.00 0.00 C ATOM 615 C LYS A 40 -10.124 -7.772 -7.555 1.00 0.00 C ATOM 616 O LYS A 40 -9.809 -8.556 -6.679 1.00 0.00 O ATOM 617 CB LYS A 40 -12.390 -6.738 -7.903 1.00 0.00 C ATOM 618 CG LYS A 40 -13.390 -5.800 -7.221 1.00 0.00 C ATOM 619 CD LYS A 40 -14.620 -5.629 -8.114 1.00 0.00 C ATOM 620 CE LYS A 40 -15.597 -6.780 -7.864 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.899 -6.303 -8.408 1.00 0.00 N ATOM 0 H LYS A 40 -10.967 -4.964 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.096 -6.462 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.338 -6.518 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.721 -7.772 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.684 -6.206 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.926 -4.832 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.104 -4.675 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.322 -5.612 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.270 -7.691 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.673 -7.010 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.622 -7.039 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.188 -5.438 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.797 -6.099 -9.423 1.00 0.00 H new ATOM 635 N LYS A 41 -9.706 -7.906 -8.788 1.00 0.00 N ATOM 636 CA LYS A 41 -8.815 -9.045 -9.155 1.00 0.00 C ATOM 637 C LYS A 41 -7.478 -8.875 -8.435 1.00 0.00 C ATOM 638 O LYS A 41 -6.989 -9.776 -7.782 1.00 0.00 O ATOM 639 CB LYS A 41 -8.630 -8.946 -10.670 1.00 0.00 C ATOM 640 CG LYS A 41 -8.146 -10.291 -11.214 1.00 0.00 C ATOM 641 CD LYS A 41 -8.015 -10.210 -12.736 1.00 0.00 C ATOM 642 CE LYS A 41 -7.641 -11.587 -13.290 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.832 -11.473 -14.763 1.00 0.00 N ATOM 0 H LYS A 41 -9.943 -7.276 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.226 -10.014 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.571 -8.667 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.909 -8.164 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.185 -10.550 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.847 -11.079 -10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.954 -9.872 -13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.254 -9.478 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.611 -11.845 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.275 -12.368 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.595 -12.379 -15.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.823 -11.233 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.211 -10.727 -15.137 1.00 0.00 H new ATOM 657 N LEU A 42 -6.889 -7.712 -8.551 1.00 0.00 N ATOM 658 CA LEU A 42 -5.575 -7.437 -7.880 1.00 0.00 C ATOM 659 C LEU A 42 -5.618 -7.838 -6.401 1.00 0.00 C ATOM 660 O LEU A 42 -4.799 -8.607 -5.934 1.00 0.00 O ATOM 661 CB LEU A 42 -5.387 -5.923 -8.005 1.00 0.00 C ATOM 662 CG LEU A 42 -4.383 -5.607 -9.115 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.920 -6.080 -10.465 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.171 -4.102 -9.165 1.00 0.00 C ATOM 0 H LEU A 42 -7.264 -6.930 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.762 -8.004 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.343 -5.447 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.035 -5.513 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.443 -6.119 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.196 -5.849 -11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.088 -7.157 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.860 -5.573 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.457 -3.861 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.120 -3.608 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.784 -3.757 -8.206 1.00 0.00 H new ATOM 676 N GLY A 43 -6.570 -7.317 -5.659 1.00 0.00 N ATOM 677 CA GLY A 43 -6.678 -7.657 -4.203 1.00 0.00 C ATOM 678 C GLY A 43 -6.675 -9.180 -4.025 1.00 0.00 C ATOM 679 O GLY A 43 -6.216 -9.696 -3.023 1.00 0.00 O ATOM 0 H GLY A 43 -7.279 -6.669 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.846 -7.216 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.593 -7.235 -3.788 1.00 0.00 H new ATOM 683 N GLU A 44 -7.158 -9.897 -5.009 1.00 0.00 N ATOM 684 CA GLU A 44 -7.155 -11.385 -4.919 1.00 0.00 C ATOM 685 C GLU A 44 -5.712 -11.874 -5.027 1.00 0.00 C ATOM 686 O GLU A 44 -5.312 -12.819 -4.374 1.00 0.00 O ATOM 687 CB GLU A 44 -7.983 -11.870 -6.112 1.00 0.00 C ATOM 688 CG GLU A 44 -8.451 -13.305 -5.856 1.00 0.00 C ATOM 689 CD GLU A 44 -9.501 -13.693 -6.899 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.631 -13.256 -6.764 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.155 -14.421 -7.815 1.00 0.00 O ATOM 0 H GLU A 44 -7.553 -9.515 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.569 -11.757 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.843 -11.217 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.387 -11.827 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.604 -13.989 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.871 -13.389 -4.853 1.00 0.00 H new ATOM 698 N MET A 45 -4.925 -11.216 -5.844 1.00 0.00 N ATOM 699 CA MET A 45 -3.496 -11.612 -5.998 1.00 0.00 C ATOM 700 C MET A 45 -2.678 -11.047 -4.835 1.00 0.00 C ATOM 701 O MET A 45 -1.850 -11.728 -4.266 1.00 0.00 O ATOM 702 CB MET A 45 -3.048 -10.992 -7.323 1.00 0.00 C ATOM 703 CG MET A 45 -3.537 -11.858 -8.485 1.00 0.00 C ATOM 704 SD MET A 45 -3.156 -11.038 -10.053 1.00 0.00 S ATOM 705 CE MET A 45 -4.082 -12.162 -11.128 1.00 0.00 C ATOM 0 H MET A 45 -5.215 -10.419 -6.411 1.00 0.00 H new ATOM 0 HA MET A 45 -3.360 -12.693 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.446 -9.982 -7.416 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.961 -10.910 -7.349 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.059 -12.837 -8.449 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.611 -12.025 -8.401 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.984 -11.838 -12.164 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.687 -13.172 -11.025 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.134 -12.153 -10.843 1.00 0.00 H new ATOM 715 N TRP A 46 -2.926 -9.810 -4.462 1.00 0.00 N ATOM 716 CA TRP A 46 -2.181 -9.186 -3.312 1.00 0.00 C ATOM 717 C TRP A 46 -2.238 -10.110 -2.084 1.00 0.00 C ATOM 718 O TRP A 46 -1.240 -10.351 -1.433 1.00 0.00 O ATOM 719 CB TRP A 46 -2.905 -7.855 -3.053 1.00 0.00 C ATOM 720 CG TRP A 46 -2.351 -7.184 -1.834 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.071 -6.816 -0.750 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.976 -6.798 -1.564 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.222 -6.225 0.169 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.919 -6.190 -0.289 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.215 -6.914 -2.298 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.281 -5.714 0.238 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.425 -6.436 -1.772 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.456 -5.837 -0.507 1.00 0.00 C ATOM 0 H TRP A 46 -3.615 -9.202 -4.905 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.124 -9.029 -3.526 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.795 -7.200 -3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.972 -8.034 -2.923 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.134 -6.960 -0.623 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.521 -5.860 1.073 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.200 -7.375 -3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.302 -5.254 1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.336 -6.531 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.389 -5.470 -0.107 1.00 0.00 H new ATOM 739 N SER A 47 -3.398 -10.640 -1.781 1.00 0.00 N ATOM 740 CA SER A 47 -3.519 -11.567 -0.612 1.00 0.00 C ATOM 741 C SER A 47 -2.765 -12.879 -0.888 1.00 0.00 C ATOM 742 O SER A 47 -2.573 -13.687 0.000 1.00 0.00 O ATOM 743 CB SER A 47 -5.017 -11.834 -0.462 1.00 0.00 C ATOM 744 OG SER A 47 -5.246 -12.566 0.735 1.00 0.00 O ATOM 0 H SER A 47 -4.265 -10.471 -2.291 1.00 0.00 H new ATOM 0 HA SER A 47 -3.090 -11.138 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.565 -10.892 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.386 -12.394 -1.321 1.00 0.00 H new ATOM 0 HG SER A 47 -6.206 -12.738 0.835 1.00 0.00 H new ATOM 750 N GLU A 48 -2.322 -13.088 -2.107 1.00 0.00 N ATOM 751 CA GLU A 48 -1.568 -14.323 -2.446 1.00 0.00 C ATOM 752 C GLU A 48 -0.087 -13.999 -2.655 1.00 0.00 C ATOM 753 O GLU A 48 0.742 -14.890 -2.702 1.00 0.00 O ATOM 754 CB GLU A 48 -2.200 -14.816 -3.748 1.00 0.00 C ATOM 755 CG GLU A 48 -3.545 -15.481 -3.445 1.00 0.00 C ATOM 756 CD GLU A 48 -3.305 -16.878 -2.870 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.934 -17.756 -3.632 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.497 -17.047 -1.677 1.00 0.00 O ATOM 0 H GLU A 48 -2.456 -12.443 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.617 -15.072 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.342 -13.981 -4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.535 -15.525 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.110 -14.876 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.143 -15.548 -4.354 1.00 0.00 H new ATOM 765 N GLN A 49 0.262 -12.735 -2.768 1.00 0.00 N ATOM 766 CA GLN A 49 1.698 -12.373 -2.960 1.00 0.00 C ATOM 767 C GLN A 49 2.523 -12.914 -1.793 1.00 0.00 C ATOM 768 O GLN A 49 2.079 -12.923 -0.660 1.00 0.00 O ATOM 769 CB GLN A 49 1.748 -10.837 -2.968 1.00 0.00 C ATOM 770 CG GLN A 49 1.051 -10.283 -4.216 1.00 0.00 C ATOM 771 CD GLN A 49 1.737 -10.809 -5.482 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.949 -10.843 -5.561 1.00 0.00 O ATOM 773 NE2 GLN A 49 1.004 -11.220 -6.480 1.00 0.00 N ATOM 0 H GLN A 49 -0.385 -11.947 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 49 2.102 -12.792 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.266 -10.447 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.785 -10.501 -2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.001 -10.575 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.079 -9.193 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.013 -11.191 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.448 -11.571 -7.329 1.00 0.00 H new ATOM 782 N SER A 50 3.720 -13.342 -2.061 1.00 0.00 N ATOM 783 CA SER A 50 4.595 -13.860 -0.972 1.00 0.00 C ATOM 784 C SER A 50 5.443 -12.706 -0.435 1.00 0.00 C ATOM 785 O SER A 50 5.045 -11.558 -0.508 1.00 0.00 O ATOM 786 CB SER A 50 5.469 -14.924 -1.636 1.00 0.00 C ATOM 787 OG SER A 50 6.355 -14.299 -2.555 1.00 0.00 O ATOM 0 H SER A 50 4.135 -13.357 -2.992 1.00 0.00 H new ATOM 0 HA SER A 50 4.040 -14.279 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.035 -15.469 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.845 -15.653 -2.153 1.00 0.00 H new ATOM 0 HG SER A 50 6.918 -14.979 -2.981 1.00 0.00 H new ATOM 793 N ALA A 51 6.606 -12.989 0.092 1.00 0.00 N ATOM 794 CA ALA A 51 7.470 -11.890 0.618 1.00 0.00 C ATOM 795 C ALA A 51 8.159 -11.144 -0.538 1.00 0.00 C ATOM 796 O ALA A 51 8.792 -10.128 -0.331 1.00 0.00 O ATOM 797 CB ALA A 51 8.504 -12.582 1.507 1.00 0.00 C ATOM 0 H ALA A 51 6.993 -13.928 0.181 1.00 0.00 H new ATOM 0 HA ALA A 51 6.894 -11.147 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.177 -11.836 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.995 -13.111 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.078 -13.292 0.912 1.00 0.00 H new ATOM 803 N LYS A 52 8.041 -11.633 -1.753 1.00 0.00 N ATOM 804 CA LYS A 52 8.686 -10.935 -2.908 1.00 0.00 C ATOM 805 C LYS A 52 7.877 -9.687 -3.272 1.00 0.00 C ATOM 806 O LYS A 52 8.426 -8.632 -3.526 1.00 0.00 O ATOM 807 CB LYS A 52 8.660 -11.946 -4.056 1.00 0.00 C ATOM 808 CG LYS A 52 9.821 -11.665 -5.011 1.00 0.00 C ATOM 809 CD LYS A 52 10.040 -12.875 -5.921 1.00 0.00 C ATOM 810 CE LYS A 52 11.242 -12.620 -6.832 1.00 0.00 C ATOM 811 NZ LYS A 52 11.337 -13.832 -7.692 1.00 0.00 N ATOM 0 H LYS A 52 7.528 -12.482 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 52 9.702 -10.610 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.736 -12.960 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.712 -11.881 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.606 -10.780 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.728 -11.454 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.209 -13.769 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.148 -13.058 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.099 -11.721 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.153 -12.475 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.140 -13.732 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.479 -14.671 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.458 -13.940 -8.237 1.00 0.00 H new ATOM 825 N ASP A 53 6.575 -9.806 -3.291 1.00 0.00 N ATOM 826 CA ASP A 53 5.711 -8.636 -3.631 1.00 0.00 C ATOM 827 C ASP A 53 4.707 -8.388 -2.499 1.00 0.00 C ATOM 828 O ASP A 53 3.507 -8.398 -2.700 1.00 0.00 O ATOM 829 CB ASP A 53 4.987 -9.039 -4.919 1.00 0.00 C ATOM 830 CG ASP A 53 5.582 -8.278 -6.106 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.740 -8.512 -6.415 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.871 -7.474 -6.687 1.00 0.00 O ATOM 0 H ASP A 53 6.070 -10.668 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 53 6.282 -7.716 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.081 -10.113 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.922 -8.822 -4.832 1.00 0.00 H new ATOM 837 N LYS A 54 5.199 -8.167 -1.305 1.00 0.00 N ATOM 838 CA LYS A 54 4.292 -7.916 -0.148 1.00 0.00 C ATOM 839 C LYS A 54 5.077 -7.495 1.101 1.00 0.00 C ATOM 840 O LYS A 54 4.598 -6.714 1.901 1.00 0.00 O ATOM 841 CB LYS A 54 3.596 -9.251 0.093 1.00 0.00 C ATOM 842 CG LYS A 54 2.137 -9.001 0.479 1.00 0.00 C ATOM 843 CD LYS A 54 1.559 -10.228 1.181 1.00 0.00 C ATOM 844 CE LYS A 54 2.292 -10.458 2.504 1.00 0.00 C ATOM 845 NZ LYS A 54 1.280 -11.086 3.400 1.00 0.00 N ATOM 0 H LYS A 54 6.194 -8.150 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 54 3.593 -7.105 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.646 -9.867 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.104 -9.801 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.070 -8.133 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.552 -8.773 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.494 -10.086 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.658 -11.105 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.157 -11.108 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.660 -9.520 2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.708 -11.275 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.472 -10.442 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.953 -11.980 2.982 1.00 0.00 H new ATOM 859 N GLN A 55 6.272 -8.000 1.273 1.00 0.00 N ATOM 860 CA GLN A 55 7.082 -7.620 2.474 1.00 0.00 C ATOM 861 C GLN A 55 7.622 -6.187 2.327 1.00 0.00 C ATOM 862 O GLN A 55 7.424 -5.373 3.206 1.00 0.00 O ATOM 863 CB GLN A 55 8.233 -8.626 2.525 1.00 0.00 C ATOM 864 CG GLN A 55 7.855 -9.790 3.443 1.00 0.00 C ATOM 865 CD GLN A 55 7.734 -9.286 4.883 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.723 -9.138 5.572 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.554 -9.017 5.369 1.00 0.00 N ATOM 0 H GLN A 55 6.723 -8.658 0.637 1.00 0.00 H new ATOM 0 HA GLN A 55 6.487 -7.641 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.451 -8.996 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.138 -8.141 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.912 -10.230 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.610 -10.574 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.724 -9.141 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.462 -8.682 6.328 1.00 0.00 H new ATOM 876 N PRO A 56 8.288 -5.909 1.223 1.00 0.00 N ATOM 877 CA PRO A 56 8.838 -4.546 1.009 1.00 0.00 C ATOM 878 C PRO A 56 7.719 -3.548 0.666 1.00 0.00 C ATOM 879 O PRO A 56 7.961 -2.361 0.550 1.00 0.00 O ATOM 880 CB PRO A 56 9.785 -4.718 -0.175 1.00 0.00 C ATOM 881 CG PRO A 56 9.270 -5.911 -0.915 1.00 0.00 C ATOM 882 CD PRO A 56 8.597 -6.805 0.092 1.00 0.00 C ATOM 0 HA PRO A 56 9.333 -4.150 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.788 -3.832 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.811 -4.874 0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.567 -5.608 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.085 -6.437 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.693 -7.256 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.250 -7.622 0.398 1.00 0.00 H new ATOM 890 N TYR A 57 6.503 -4.015 0.498 1.00 0.00 N ATOM 891 CA TYR A 57 5.381 -3.092 0.159 1.00 0.00 C ATOM 892 C TYR A 57 4.692 -2.601 1.435 1.00 0.00 C ATOM 893 O TYR A 57 4.174 -1.502 1.485 1.00 0.00 O ATOM 894 CB TYR A 57 4.422 -3.936 -0.681 1.00 0.00 C ATOM 895 CG TYR A 57 4.849 -3.896 -2.130 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.149 -4.272 -2.493 1.00 0.00 C ATOM 897 CD2 TYR A 57 3.943 -3.482 -3.110 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.540 -4.231 -3.836 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.333 -3.441 -4.454 1.00 0.00 C ATOM 900 CZ TYR A 57 5.632 -3.816 -4.817 1.00 0.00 C ATOM 901 OH TYR A 57 6.017 -3.775 -6.142 1.00 0.00 O ATOM 0 H TYR A 57 6.243 -4.998 0.582 1.00 0.00 H new ATOM 0 HA TYR A 57 5.721 -2.204 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.416 -4.965 -0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.405 -3.558 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.849 -4.593 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.941 -3.193 -2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.542 -4.520 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.632 -3.120 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 57 6.697 -4.461 -6.307 1.00 0.00 H new ATOM 911 N GLU A 58 4.685 -3.409 2.467 1.00 0.00 N ATOM 912 CA GLU A 58 4.030 -2.991 3.745 1.00 0.00 C ATOM 913 C GLU A 58 5.040 -2.285 4.659 1.00 0.00 C ATOM 914 O GLU A 58 4.668 -1.506 5.516 1.00 0.00 O ATOM 915 CB GLU A 58 3.520 -4.287 4.387 1.00 0.00 C ATOM 916 CG GLU A 58 4.691 -5.247 4.654 1.00 0.00 C ATOM 917 CD GLU A 58 4.740 -5.610 6.141 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.720 -4.700 6.954 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.797 -6.791 6.440 1.00 0.00 O ATOM 0 H GLU A 58 5.104 -4.339 2.479 1.00 0.00 H new ATOM 0 HA GLU A 58 3.218 -2.284 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.006 -4.060 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.792 -4.764 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.576 -6.150 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.630 -4.782 4.353 1.00 0.00 H new ATOM 926 N GLN A 59 6.315 -2.533 4.468 1.00 0.00 N ATOM 927 CA GLN A 59 7.349 -1.854 5.311 1.00 0.00 C ATOM 928 C GLN A 59 7.784 -0.531 4.659 1.00 0.00 C ATOM 929 O GLN A 59 8.522 0.240 5.242 1.00 0.00 O ATOM 930 CB GLN A 59 8.526 -2.827 5.364 1.00 0.00 C ATOM 931 CG GLN A 59 8.082 -4.137 6.017 1.00 0.00 C ATOM 932 CD GLN A 59 7.980 -3.945 7.531 1.00 0.00 C ATOM 933 OE1 GLN A 59 8.897 -4.269 8.260 1.00 0.00 O ATOM 934 NE2 GLN A 59 6.896 -3.425 8.040 1.00 0.00 N ATOM 0 H GLN A 59 6.683 -3.175 3.766 1.00 0.00 H new ATOM 0 HA GLN A 59 6.971 -1.614 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.898 -3.019 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.348 -2.388 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.118 -4.448 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.794 -4.929 5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.126 -3.153 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.819 -3.291 9.048 1.00 0.00 H new ATOM 943 N LYS A 60 7.312 -0.254 3.465 1.00 0.00 N ATOM 944 CA LYS A 60 7.672 1.022 2.785 1.00 0.00 C ATOM 945 C LYS A 60 6.507 2.004 2.915 1.00 0.00 C ATOM 946 O LYS A 60 6.690 3.204 2.904 1.00 0.00 O ATOM 947 CB LYS A 60 7.902 0.648 1.319 1.00 0.00 C ATOM 948 CG LYS A 60 8.604 1.804 0.595 1.00 0.00 C ATOM 949 CD LYS A 60 7.989 1.992 -0.794 1.00 0.00 C ATOM 950 CE LYS A 60 8.875 2.923 -1.624 1.00 0.00 C ATOM 951 NZ LYS A 60 8.101 3.179 -2.870 1.00 0.00 N ATOM 0 H LYS A 60 6.690 -0.863 2.934 1.00 0.00 H new ATOM 0 HA LYS A 60 8.554 1.496 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.508 -0.256 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.950 0.428 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.505 2.722 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.670 1.596 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.889 1.028 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.986 2.410 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.082 3.850 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.837 2.460 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.644 3.811 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.924 2.279 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.193 3.626 -2.629 1.00 0.00 H new ATOM 965 N ALA A 61 5.307 1.494 3.043 1.00 0.00 N ATOM 966 CA ALA A 61 4.116 2.379 3.185 1.00 0.00 C ATOM 967 C ALA A 61 3.773 2.561 4.667 1.00 0.00 C ATOM 968 O ALA A 61 3.197 3.557 5.063 1.00 0.00 O ATOM 969 CB ALA A 61 2.984 1.644 2.460 1.00 0.00 C ATOM 0 H ALA A 61 5.103 0.495 3.055 1.00 0.00 H new ATOM 0 HA ALA A 61 4.286 3.372 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.070 2.234 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.255 1.500 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.821 0.674 2.929 1.00 0.00 H new ATOM 975 N ALA A 62 4.115 1.596 5.487 1.00 0.00 N ATOM 976 CA ALA A 62 3.801 1.695 6.944 1.00 0.00 C ATOM 977 C ALA A 62 4.886 2.482 7.686 1.00 0.00 C ATOM 978 O ALA A 62 4.636 3.039 8.739 1.00 0.00 O ATOM 979 CB ALA A 62 3.758 0.249 7.438 1.00 0.00 C ATOM 0 H ALA A 62 4.599 0.743 5.207 1.00 0.00 H new ATOM 0 HA ALA A 62 2.863 2.220 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.532 0.235 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.986 -0.298 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.725 -0.223 7.266 1.00 0.00 H new ATOM 985 N LYS A 63 6.081 2.547 7.149 1.00 0.00 N ATOM 986 CA LYS A 63 7.166 3.315 7.834 1.00 0.00 C ATOM 987 C LYS A 63 7.287 4.729 7.244 1.00 0.00 C ATOM 988 O LYS A 63 7.982 5.571 7.782 1.00 0.00 O ATOM 989 CB LYS A 63 8.445 2.515 7.581 1.00 0.00 C ATOM 990 CG LYS A 63 9.507 2.915 8.606 1.00 0.00 C ATOM 991 CD LYS A 63 9.237 2.195 9.929 1.00 0.00 C ATOM 992 CE LYS A 63 9.750 3.049 11.090 1.00 0.00 C ATOM 993 NZ LYS A 63 11.228 2.855 11.086 1.00 0.00 N ATOM 0 H LYS A 63 6.350 2.104 6.271 1.00 0.00 H new ATOM 0 HA LYS A 63 6.966 3.438 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.239 1.447 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.810 2.702 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.500 2.658 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.493 3.994 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.169 2.011 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.730 1.223 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.489 4.098 10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.313 2.732 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.642 3.327 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.445 1.838 11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.629 3.264 10.218 1.00 0.00 H new ATOM 1007 N LEU A 64 6.602 5.001 6.159 1.00 0.00 N ATOM 1008 CA LEU A 64 6.656 6.363 5.552 1.00 0.00 C ATOM 1009 C LEU A 64 5.352 7.111 5.847 1.00 0.00 C ATOM 1010 O LEU A 64 5.306 8.327 5.820 1.00 0.00 O ATOM 1011 CB LEU A 64 6.820 6.125 4.051 1.00 0.00 C ATOM 1012 CG LEU A 64 7.834 7.117 3.482 1.00 0.00 C ATOM 1013 CD1 LEU A 64 8.334 6.617 2.126 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.167 8.483 3.305 1.00 0.00 C ATOM 0 H LEU A 64 6.007 4.334 5.668 1.00 0.00 H new ATOM 0 HA LEU A 64 7.470 6.968 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.154 5.104 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.860 6.241 3.547 1.00 0.00 H new ATOM 0 HG LEU A 64 8.676 7.208 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.057 7.325 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.809 5.644 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.493 6.525 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.890 9.191 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.325 8.391 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.811 8.842 4.271 1.00 0.00 H new ATOM 1026 N LYS A 65 4.293 6.392 6.142 1.00 0.00 N ATOM 1027 CA LYS A 65 2.995 7.056 6.453 1.00 0.00 C ATOM 1028 C LYS A 65 3.105 7.792 7.792 1.00 0.00 C ATOM 1029 O LYS A 65 2.527 8.846 7.980 1.00 0.00 O ATOM 1030 CB LYS A 65 1.972 5.917 6.539 1.00 0.00 C ATOM 1031 CG LYS A 65 0.586 6.489 6.853 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.458 5.376 6.754 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.804 5.892 7.268 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.814 4.942 6.722 1.00 0.00 N ATOM 0 H LYS A 65 4.276 5.373 6.180 1.00 0.00 H new ATOM 0 HA LYS A 65 2.709 7.792 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.945 5.368 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.267 5.208 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.578 6.923 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.345 7.291 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.554 5.044 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.141 4.512 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.829 5.912 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.994 6.909 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.764 5.230 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.771 4.949 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.612 3.983 7.070 1.00 0.00 H new ATOM 1048 N GLU A 66 3.847 7.240 8.719 1.00 0.00 N ATOM 1049 CA GLU A 66 4.005 7.902 10.051 1.00 0.00 C ATOM 1050 C GLU A 66 4.685 9.265 9.886 1.00 0.00 C ATOM 1051 O GLU A 66 4.443 10.183 10.647 1.00 0.00 O ATOM 1052 CB GLU A 66 4.890 6.959 10.870 1.00 0.00 C ATOM 1053 CG GLU A 66 4.049 5.792 11.391 1.00 0.00 C ATOM 1054 CD GLU A 66 4.937 4.844 12.200 1.00 0.00 C ATOM 1055 OE1 GLU A 66 5.554 5.305 13.145 1.00 0.00 O ATOM 1056 OE2 GLU A 66 4.982 3.673 11.860 1.00 0.00 O ATOM 0 H GLU A 66 4.350 6.359 8.611 1.00 0.00 H new ATOM 0 HA GLU A 66 3.045 8.079 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.708 6.585 10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.339 7.498 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.236 6.165 12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.593 5.258 10.557 1.00 0.00 H new ATOM 1063 N LYS A 67 5.531 9.399 8.896 1.00 0.00 N ATOM 1064 CA LYS A 67 6.233 10.699 8.672 1.00 0.00 C ATOM 1065 C LYS A 67 5.313 11.693 7.951 1.00 0.00 C ATOM 1066 O LYS A 67 5.474 12.889 8.071 1.00 0.00 O ATOM 1067 CB LYS A 67 7.440 10.356 7.797 1.00 0.00 C ATOM 1068 CG LYS A 67 8.620 11.251 8.181 1.00 0.00 C ATOM 1069 CD LYS A 67 9.767 11.037 7.191 1.00 0.00 C ATOM 1070 CE LYS A 67 11.101 11.323 7.885 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.118 12.798 8.092 1.00 0.00 N ATOM 0 H LYS A 67 5.766 8.662 8.231 1.00 0.00 H new ATOM 0 HA LYS A 67 6.528 11.169 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.709 9.307 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.191 10.496 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.313 12.297 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.951 11.019 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.752 10.013 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.645 11.694 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.175 10.790 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.942 11.001 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.098 13.143 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.559 13.260 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.708 13.023 9.021 1.00 0.00 H new ATOM 1085 N TYR A 68 4.342 11.201 7.221 1.00 0.00 N ATOM 1086 CA TYR A 68 3.389 12.109 6.497 1.00 0.00 C ATOM 1087 C TYR A 68 2.498 12.831 7.512 1.00 0.00 C ATOM 1088 O TYR A 68 2.161 13.988 7.354 1.00 0.00 O ATOM 1089 CB TYR A 68 2.561 11.164 5.618 1.00 0.00 C ATOM 1090 CG TYR A 68 1.616 11.930 4.719 1.00 0.00 C ATOM 1091 CD1 TYR A 68 2.115 12.727 3.680 1.00 0.00 C ATOM 1092 CD2 TYR A 68 0.233 11.816 4.908 1.00 0.00 C ATOM 1093 CE1 TYR A 68 1.230 13.412 2.837 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.650 12.498 4.062 1.00 0.00 C ATOM 1095 CZ TYR A 68 -0.152 13.296 3.026 1.00 0.00 C ATOM 1096 OH TYR A 68 -1.023 13.967 2.192 1.00 0.00 O ATOM 0 H TYR A 68 4.165 10.205 7.093 1.00 0.00 H new ATOM 0 HA TYR A 68 3.890 12.879 5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.228 10.553 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.992 10.483 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.181 12.813 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.153 11.201 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.615 14.031 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.716 12.408 4.209 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.946 13.776 2.461 1.00 0.00 H new ATOM 1106 N GLU A 69 2.121 12.136 8.550 1.00 0.00 N ATOM 1107 CA GLU A 69 1.247 12.743 9.601 1.00 0.00 C ATOM 1108 C GLU A 69 1.937 13.955 10.234 1.00 0.00 C ATOM 1109 O GLU A 69 1.297 14.930 10.580 1.00 0.00 O ATOM 1110 CB GLU A 69 1.043 11.639 10.640 1.00 0.00 C ATOM 1111 CG GLU A 69 0.203 10.514 10.032 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.335 9.616 11.149 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -1.323 9.989 11.758 1.00 0.00 O ATOM 1114 OE2 GLU A 69 0.251 8.570 11.375 1.00 0.00 O ATOM 0 H GLU A 69 2.382 11.165 8.719 1.00 0.00 H new ATOM 0 HA GLU A 69 0.300 13.096 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.007 11.251 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.546 12.043 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.624 10.933 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.807 9.928 9.340 1.00 0.00 H new ATOM 1121 N LYS A 70 3.238 13.905 10.374 1.00 0.00 N ATOM 1122 CA LYS A 70 3.977 15.058 10.968 1.00 0.00 C ATOM 1123 C LYS A 70 4.370 16.022 9.852 1.00 0.00 C ATOM 1124 O LYS A 70 4.363 17.226 10.018 1.00 0.00 O ATOM 1125 CB LYS A 70 5.217 14.446 11.623 1.00 0.00 C ATOM 1126 CG LYS A 70 4.797 13.648 12.859 1.00 0.00 C ATOM 1127 CD LYS A 70 6.023 13.376 13.734 1.00 0.00 C ATOM 1128 CE LYS A 70 5.636 12.431 14.874 1.00 0.00 C ATOM 1129 NZ LYS A 70 6.701 12.610 15.900 1.00 0.00 N ATOM 0 H LYS A 70 3.820 13.113 10.102 1.00 0.00 H new ATOM 0 HA LYS A 70 3.385 15.617 11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.733 13.797 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.918 15.231 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.049 14.202 13.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.336 12.707 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.820 12.934 13.135 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.410 14.312 14.138 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.654 12.679 15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.588 11.397 14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.505 11.994 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.623 12.360 15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.719 13.602 16.213 1.00 0.00 H new ATOM 1143 N ASP A 71 4.688 15.485 8.703 1.00 0.00 N ATOM 1144 CA ASP A 71 5.060 16.346 7.540 1.00 0.00 C ATOM 1145 C ASP A 71 3.864 17.223 7.173 1.00 0.00 C ATOM 1146 O ASP A 71 3.948 18.435 7.138 1.00 0.00 O ATOM 1147 CB ASP A 71 5.368 15.370 6.401 1.00 0.00 C ATOM 1148 CG ASP A 71 6.882 15.196 6.268 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.563 16.197 6.119 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.336 14.064 6.317 1.00 0.00 O ATOM 0 H ASP A 71 4.706 14.482 8.519 1.00 0.00 H new ATOM 0 HA ASP A 71 5.907 16.999 7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.897 14.407 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.951 15.744 5.466 1.00 0.00 H new ATOM 1155 N ILE A 72 2.750 16.599 6.900 1.00 0.00 N ATOM 1156 CA ILE A 72 1.515 17.357 6.528 1.00 0.00 C ATOM 1157 C ILE A 72 1.165 18.384 7.620 1.00 0.00 C ATOM 1158 O ILE A 72 0.793 19.502 7.327 1.00 0.00 O ATOM 1159 CB ILE A 72 0.427 16.270 6.397 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.632 15.506 5.086 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -0.987 16.877 6.415 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.495 16.449 3.881 1.00 0.00 C ATOM 0 H ILE A 72 2.639 15.585 6.918 1.00 0.00 H new ATOM 0 HA ILE A 72 1.628 17.930 5.608 1.00 0.00 H new ATOM 0 HB ILE A 72 0.517 15.597 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.618 15.042 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.100 14.702 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.726 16.081 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.143 17.408 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.095 17.573 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.644 15.886 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.500 16.893 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.244 17.238 3.949 1.00 0.00 H new ATOM 1174 N ALA A 73 1.268 18.005 8.869 1.00 0.00 N ATOM 1175 CA ALA A 73 0.926 18.954 9.979 1.00 0.00 C ATOM 1176 C ALA A 73 1.727 20.258 9.858 1.00 0.00 C ATOM 1177 O ALA A 73 1.167 21.337 9.826 1.00 0.00 O ATOM 1178 CB ALA A 73 1.303 18.218 11.267 1.00 0.00 C ATOM 0 H ALA A 73 1.574 17.080 9.171 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.127 19.233 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.081 18.851 12.126 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.729 17.294 11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.368 17.984 11.254 1.00 0.00 H new ATOM 1184 N ALA A 74 3.030 20.162 9.804 1.00 0.00 N ATOM 1185 CA ALA A 74 3.876 21.393 9.703 1.00 0.00 C ATOM 1186 C ALA A 74 3.680 22.071 8.345 1.00 0.00 C ATOM 1187 O ALA A 74 3.758 23.280 8.232 1.00 0.00 O ATOM 1188 CB ALA A 74 5.318 20.905 9.852 1.00 0.00 C ATOM 0 H ALA A 74 3.548 19.283 9.825 1.00 0.00 H new ATOM 0 HA ALA A 74 3.613 22.128 10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.998 21.754 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.438 20.416 10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.547 20.197 9.056 1.00 0.00 H new ATOM 1194 N TYR A 75 3.429 21.302 7.317 1.00 0.00 N ATOM 1195 CA TYR A 75 3.228 21.900 5.964 1.00 0.00 C ATOM 1196 C TYR A 75 1.768 22.345 5.775 1.00 0.00 C ATOM 1197 O TYR A 75 1.441 23.001 4.804 1.00 0.00 O ATOM 1198 CB TYR A 75 3.588 20.782 4.977 1.00 0.00 C ATOM 1199 CG TYR A 75 4.534 21.318 3.926 1.00 0.00 C ATOM 1200 CD1 TYR A 75 5.899 21.436 4.213 1.00 0.00 C ATOM 1201 CD2 TYR A 75 4.047 21.699 2.671 1.00 0.00 C ATOM 1202 CE1 TYR A 75 6.777 21.935 3.244 1.00 0.00 C ATOM 1203 CE2 TYR A 75 4.924 22.199 1.701 1.00 0.00 C ATOM 1204 CZ TYR A 75 6.290 22.317 1.989 1.00 0.00 C ATOM 1205 OH TYR A 75 7.156 22.810 1.034 1.00 0.00 O ATOM 0 H TYR A 75 3.355 20.285 7.356 1.00 0.00 H new ATOM 0 HA TYR A 75 3.842 22.789 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.051 19.950 5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.685 20.395 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.275 21.142 5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.994 21.607 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.830 22.025 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.548 22.493 0.732 1.00 0.00 H new ATOM 0 HH TYR A 75 8.043 22.412 1.160 1.00 0.00 H new ATOM 1215 N ARG A 76 0.890 21.997 6.690 1.00 0.00 N ATOM 1216 CA ARG A 76 -0.541 22.410 6.548 1.00 0.00 C ATOM 1217 C ARG A 76 -0.672 23.925 6.734 1.00 0.00 C ATOM 1218 O ARG A 76 -0.979 24.646 5.802 1.00 0.00 O ATOM 1219 CB ARG A 76 -1.295 21.660 7.650 1.00 0.00 C ATOM 1220 CG ARG A 76 -2.789 21.970 7.548 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.591 20.853 8.220 1.00 0.00 C ATOM 1222 NE ARG A 76 -4.860 20.773 7.446 1.00 0.00 N ATOM 1223 CZ ARG A 76 -5.981 21.163 7.990 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -6.296 22.429 8.000 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -6.787 20.286 8.525 1.00 0.00 N ATOM 0 H ARG A 76 1.103 21.448 7.523 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.940 22.175 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.128 20.587 7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.918 21.955 8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.006 22.925 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.081 22.063 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.051 19.907 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.782 21.080 9.269 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.854 20.414 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.666 23.114 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.172 22.733 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.541 19.296 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.663 20.591 8.950 1.00 0.00 H new ATOM 1239 N ALA A 77 -0.442 24.411 7.928 1.00 0.00 N ATOM 1240 CA ALA A 77 -0.552 25.880 8.178 1.00 0.00 C ATOM 1241 C ALA A 77 0.679 26.379 8.941 1.00 0.00 C ATOM 1242 O ALA A 77 0.843 26.107 10.115 1.00 0.00 O ATOM 1243 CB ALA A 77 -1.811 26.044 9.028 1.00 0.00 C ATOM 0 H ALA A 77 -0.182 23.853 8.741 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.608 26.454 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.962 27.099 9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.673 25.664 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.698 25.486 9.957 1.00 0.00 H new ATOM 1249 N LYS A 78 1.542 27.107 8.278 1.00 0.00 N ATOM 1250 CA LYS A 78 2.766 27.629 8.956 1.00 0.00 C ATOM 1251 C LYS A 78 3.122 29.014 8.411 1.00 0.00 C ATOM 1252 O LYS A 78 3.249 29.141 7.205 1.00 0.00 O ATOM 1253 CB LYS A 78 3.866 26.621 8.618 1.00 0.00 C ATOM 1254 CG LYS A 78 4.970 26.696 9.675 1.00 0.00 C ATOM 1255 CD LYS A 78 6.190 25.905 9.198 1.00 0.00 C ATOM 1256 CE LYS A 78 7.056 25.526 10.401 1.00 0.00 C ATOM 1257 NZ LYS A 78 7.699 26.800 10.828 1.00 0.00 N ATOM 1258 OXT LYS A 78 3.263 29.925 9.211 1.00 0.00 O ATOM 0 H LYS A 78 1.451 27.362 7.295 1.00 0.00 H new ATOM 0 HA LYS A 78 2.628 27.737 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.452 25.614 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.278 26.833 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.245 27.735 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.610 26.293 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.870 25.007 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.770 26.501 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.453 25.100 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.802 24.778 10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.709 26.634 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.598 27.509 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.240 27.148 11.694 1.00 0.00 H new TER 1272 LYS A 78