USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 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 Set 1.1: A 41 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0341) USER MOD Set 1.2: A 45 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.355 (180deg=-1.81!) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.103 (180deg=-1.07) 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 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 20 SER OG : rot 113:sc= 1.57 USER MOD Single : A 22 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-0.55) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 88:sc= 0.465 USER MOD Single : A 30 HIS : no HD1:sc= -3.63! K(o=-3.6!,f=-2.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.83! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.216 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0511) USER MOD Single : A 55 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.33) USER MOD Single : A 57 TYR OH : rot 130:sc= 1.2 USER MOD Single : A 59 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.118) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.172 15.387 -4.966 1.00 0.00 N ATOM 2 CA MET A 1 -11.783 15.190 -4.456 1.00 0.00 C ATOM 3 C MET A 1 -10.879 16.337 -4.921 1.00 0.00 C ATOM 4 O MET A 1 -10.988 16.811 -6.035 1.00 0.00 O ATOM 5 CB MET A 1 -11.318 13.855 -5.050 1.00 0.00 C ATOM 6 CG MET A 1 -11.375 13.912 -6.581 1.00 0.00 C ATOM 7 SD MET A 1 -10.674 12.391 -7.267 1.00 0.00 S ATOM 8 CE MET A 1 -8.987 12.621 -6.652 1.00 0.00 C ATOM 0 H1 MET A 1 -13.601 14.462 -5.172 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.739 15.879 -4.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.145 15.957 -5.835 1.00 0.00 H new ATOM 0 HA MET A 1 -11.744 15.180 -3.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.301 13.637 -4.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.950 13.046 -4.685 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.406 14.032 -6.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.820 14.777 -6.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.282 12.150 -7.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.768 13.686 -6.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.894 12.165 -5.666 1.00 0.00 H new ATOM 20 N LYS A 2 -9.988 16.783 -4.070 1.00 0.00 N ATOM 21 CA LYS A 2 -9.073 17.899 -4.453 1.00 0.00 C ATOM 22 C LYS A 2 -7.868 17.942 -3.509 1.00 0.00 C ATOM 23 O LYS A 2 -7.819 17.236 -2.519 1.00 0.00 O ATOM 24 CB LYS A 2 -9.914 19.168 -4.309 1.00 0.00 C ATOM 25 CG LYS A 2 -9.322 20.275 -5.183 1.00 0.00 C ATOM 26 CD LYS A 2 -10.392 21.334 -5.460 1.00 0.00 C ATOM 27 CE LYS A 2 -9.905 22.278 -6.562 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.143 22.885 -7.123 1.00 0.00 N ATOM 0 H LYS A 2 -9.856 16.421 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.680 17.784 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.944 18.969 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.936 19.486 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.466 20.729 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.958 19.857 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.323 20.855 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.604 21.898 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.238 23.041 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.348 21.737 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.891 23.546 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.756 22.135 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.648 23.399 -6.373 1.00 0.00 H new ATOM 42 N LYS A 3 -6.898 18.768 -3.811 1.00 0.00 N ATOM 43 CA LYS A 3 -5.690 18.866 -2.938 1.00 0.00 C ATOM 44 C LYS A 3 -4.956 20.184 -3.196 1.00 0.00 C ATOM 45 O LYS A 3 -4.793 20.601 -4.327 1.00 0.00 O ATOM 46 CB LYS A 3 -4.815 17.677 -3.338 1.00 0.00 C ATOM 47 CG LYS A 3 -3.961 17.248 -2.144 1.00 0.00 C ATOM 48 CD LYS A 3 -4.798 16.380 -1.201 1.00 0.00 C ATOM 49 CE LYS A 3 -4.954 14.981 -1.799 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.698 14.204 -0.768 1.00 0.00 N ATOM 0 H LYS A 3 -6.891 19.380 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.944 18.847 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.440 16.847 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.175 17.949 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.089 16.692 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.591 18.126 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.318 16.318 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.778 16.832 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.501 15.013 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.984 14.531 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.844 13.231 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.150 14.185 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.620 14.652 -0.594 1.00 0.00 H new ATOM 64 N ASP A 4 -4.515 20.839 -2.153 1.00 0.00 N ATOM 65 CA ASP A 4 -3.791 22.134 -2.326 1.00 0.00 C ATOM 66 C ASP A 4 -2.277 21.885 -2.428 1.00 0.00 C ATOM 67 O ASP A 4 -1.811 20.813 -2.099 1.00 0.00 O ATOM 68 CB ASP A 4 -4.119 22.942 -1.071 1.00 0.00 C ATOM 69 CG ASP A 4 -5.436 23.693 -1.277 1.00 0.00 C ATOM 70 OD1 ASP A 4 -6.478 23.087 -1.084 1.00 0.00 O ATOM 71 OD2 ASP A 4 -5.381 24.861 -1.625 1.00 0.00 O ATOM 0 H ASP A 4 -4.625 20.532 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.089 22.656 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.197 22.279 -0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.315 23.647 -0.859 1.00 0.00 H new ATOM 76 N PRO A 5 -1.549 22.885 -2.881 1.00 0.00 N ATOM 77 CA PRO A 5 -0.078 22.741 -3.015 1.00 0.00 C ATOM 78 C PRO A 5 0.589 22.757 -1.636 1.00 0.00 C ATOM 79 O PRO A 5 1.644 22.180 -1.441 1.00 0.00 O ATOM 80 CB PRO A 5 0.334 23.963 -3.831 1.00 0.00 C ATOM 81 CG PRO A 5 -0.736 24.977 -3.577 1.00 0.00 C ATOM 82 CD PRO A 5 -2.010 24.219 -3.307 1.00 0.00 C ATOM 0 HA PRO A 5 0.217 21.803 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.311 24.334 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.407 23.723 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.475 25.607 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.855 25.636 -4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.605 24.702 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.635 24.159 -4.198 1.00 0.00 H new ATOM 90 N ASN A 6 -0.019 23.415 -0.682 1.00 0.00 N ATOM 91 CA ASN A 6 0.574 23.475 0.689 1.00 0.00 C ATOM 92 C ASN A 6 0.407 22.129 1.399 1.00 0.00 C ATOM 93 O ASN A 6 1.212 21.753 2.230 1.00 0.00 O ATOM 94 CB ASN A 6 -0.210 24.567 1.419 1.00 0.00 C ATOM 95 CG ASN A 6 0.335 25.940 1.021 1.00 0.00 C ATOM 96 OD1 ASN A 6 1.357 26.368 1.521 1.00 0.00 O ATOM 97 ND2 ASN A 6 -0.308 26.654 0.138 1.00 0.00 N ATOM 0 H ASN A 6 -0.902 23.914 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 6 1.642 23.691 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.269 24.498 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.127 24.430 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.047 27.571 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.166 26.295 -0.282 1.00 0.00 H new ATOM 104 N ALA A 7 -0.633 21.403 1.076 1.00 0.00 N ATOM 105 CA ALA A 7 -0.858 20.077 1.727 1.00 0.00 C ATOM 106 C ALA A 7 -0.072 18.980 0.992 1.00 0.00 C ATOM 107 O ALA A 7 0.240 19.123 -0.174 1.00 0.00 O ATOM 108 CB ALA A 7 -2.362 19.826 1.613 1.00 0.00 C ATOM 0 H ALA A 7 -1.337 21.672 0.389 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.521 20.067 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.607 18.867 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.903 20.621 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.650 19.810 0.562 1.00 0.00 H new ATOM 114 N PRO A 8 0.223 17.909 1.697 1.00 0.00 N ATOM 115 CA PRO A 8 0.968 16.789 1.100 1.00 0.00 C ATOM 116 C PRO A 8 0.044 15.850 0.320 1.00 0.00 C ATOM 117 O PRO A 8 -1.164 15.995 0.339 1.00 0.00 O ATOM 118 CB PRO A 8 1.606 16.095 2.283 1.00 0.00 C ATOM 119 CG PRO A 8 0.799 16.485 3.469 1.00 0.00 C ATOM 120 CD PRO A 8 -0.103 17.636 3.094 1.00 0.00 C ATOM 0 HA PRO A 8 1.707 17.123 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.605 15.013 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.646 16.400 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.205 15.639 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.454 16.773 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.154 17.373 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.081 18.507 3.723 1.00 0.00 H new ATOM 128 N LYS A 9 0.610 14.901 -0.380 1.00 0.00 N ATOM 129 CA LYS A 9 -0.221 13.953 -1.187 1.00 0.00 C ATOM 130 C LYS A 9 -0.776 12.827 -0.311 1.00 0.00 C ATOM 131 O LYS A 9 -0.628 12.829 0.895 1.00 0.00 O ATOM 132 CB LYS A 9 0.735 13.386 -2.238 1.00 0.00 C ATOM 133 CG LYS A 9 1.095 14.478 -3.245 1.00 0.00 C ATOM 134 CD LYS A 9 2.222 13.983 -4.154 1.00 0.00 C ATOM 135 CE LYS A 9 1.655 13.004 -5.183 1.00 0.00 C ATOM 136 NZ LYS A 9 2.664 12.971 -6.279 1.00 0.00 N ATOM 0 H LYS A 9 1.616 14.740 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.082 14.451 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.638 13.008 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.270 12.544 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.221 14.740 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.406 15.382 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.693 14.826 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.995 13.496 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.511 12.015 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.684 13.336 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.346 12.320 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.775 13.925 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.576 12.645 -5.901 1.00 0.00 H new ATOM 150 N ARG A 10 -1.415 11.866 -0.926 1.00 0.00 N ATOM 151 CA ARG A 10 -1.990 10.725 -0.152 1.00 0.00 C ATOM 152 C ARG A 10 -0.922 9.630 0.057 1.00 0.00 C ATOM 153 O ARG A 10 -0.308 9.195 -0.897 1.00 0.00 O ATOM 154 CB ARG A 10 -3.159 10.204 -1.007 1.00 0.00 C ATOM 155 CG ARG A 10 -2.643 9.621 -2.331 1.00 0.00 C ATOM 156 CD ARG A 10 -3.662 9.893 -3.440 1.00 0.00 C ATOM 157 NE ARG A 10 -3.447 11.316 -3.820 1.00 0.00 N ATOM 158 CZ ARG A 10 -3.459 11.664 -5.079 1.00 0.00 C ATOM 159 NH1 ARG A 10 -2.452 11.358 -5.850 1.00 0.00 N ATOM 160 NH2 ARG A 10 -4.479 12.318 -5.565 1.00 0.00 N ATOM 0 H ARG A 10 -1.564 11.822 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.326 11.025 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.707 9.440 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.859 11.015 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.682 10.068 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.478 8.548 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.506 9.229 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.681 9.728 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.290 12.019 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.655 10.847 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.461 11.630 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.266 12.557 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.489 12.590 -6.548 1.00 0.00 H new ATOM 174 N PRO A 11 -0.727 9.211 1.292 1.00 0.00 N ATOM 175 CA PRO A 11 0.283 8.159 1.571 1.00 0.00 C ATOM 176 C PRO A 11 -0.228 6.786 1.099 1.00 0.00 C ATOM 177 O PRO A 11 -1.422 6.564 1.051 1.00 0.00 O ATOM 178 CB PRO A 11 0.429 8.188 3.089 1.00 0.00 C ATOM 179 CG PRO A 11 -0.863 8.745 3.594 1.00 0.00 C ATOM 180 CD PRO A 11 -1.404 9.657 2.523 1.00 0.00 C ATOM 0 HA PRO A 11 1.228 8.329 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.610 7.189 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.272 8.809 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.569 7.943 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.709 9.293 4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.487 9.570 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.185 10.702 2.742 1.00 0.00 H new ATOM 188 N PRO A 12 0.690 5.901 0.768 1.00 0.00 N ATOM 189 CA PRO A 12 0.292 4.549 0.304 1.00 0.00 C ATOM 190 C PRO A 12 -0.226 3.722 1.484 1.00 0.00 C ATOM 191 O PRO A 12 -0.506 4.253 2.543 1.00 0.00 O ATOM 192 CB PRO A 12 1.586 3.959 -0.249 1.00 0.00 C ATOM 193 CG PRO A 12 2.679 4.693 0.461 1.00 0.00 C ATOM 194 CD PRO A 12 2.153 6.065 0.789 1.00 0.00 C ATOM 0 HA PRO A 12 -0.507 4.565 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.643 2.887 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.654 4.097 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.970 4.165 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.568 4.761 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.503 6.404 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.482 6.804 0.058 1.00 0.00 H new ATOM 202 N SER A 13 -0.357 2.428 1.313 1.00 0.00 N ATOM 203 CA SER A 13 -0.861 1.573 2.430 1.00 0.00 C ATOM 204 C SER A 13 -0.668 0.089 2.115 1.00 0.00 C ATOM 205 O SER A 13 -1.565 -0.707 2.308 1.00 0.00 O ATOM 206 CB SER A 13 -2.349 1.905 2.542 1.00 0.00 C ATOM 207 OG SER A 13 -2.990 1.617 1.307 1.00 0.00 O ATOM 0 H SER A 13 -0.137 1.930 0.451 1.00 0.00 H new ATOM 0 HA SER A 13 -0.323 1.764 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.803 1.324 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.480 2.957 2.796 1.00 0.00 H new ATOM 0 HG SER A 13 -3.945 1.827 1.377 1.00 0.00 H new ATOM 213 N ALA A 14 0.488 -0.290 1.606 1.00 0.00 N ATOM 214 CA ALA A 14 0.752 -1.727 1.246 1.00 0.00 C ATOM 215 C ALA A 14 -0.062 -2.100 0.010 1.00 0.00 C ATOM 216 O ALA A 14 0.482 -2.259 -1.067 1.00 0.00 O ATOM 217 CB ALA A 14 0.357 -2.594 2.455 1.00 0.00 C ATOM 0 H ALA A 14 1.267 0.343 1.423 1.00 0.00 H new ATOM 0 HA ALA A 14 1.804 -1.888 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.537 -3.644 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.953 -2.305 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.700 -2.448 2.678 1.00 0.00 H new ATOM 223 N PHE A 15 -1.356 -2.244 0.149 1.00 0.00 N ATOM 224 CA PHE A 15 -2.196 -2.613 -1.036 1.00 0.00 C ATOM 225 C PHE A 15 -2.062 -1.555 -2.140 1.00 0.00 C ATOM 226 O PHE A 15 -2.270 -1.840 -3.305 1.00 0.00 O ATOM 227 CB PHE A 15 -3.638 -2.669 -0.513 1.00 0.00 C ATOM 228 CG PHE A 15 -4.578 -3.047 -1.637 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.331 -4.192 -2.406 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.696 -2.249 -1.912 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.199 -4.537 -3.449 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.564 -2.596 -2.954 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.316 -3.739 -3.722 1.00 0.00 C ATOM 0 H PHE A 15 -1.866 -2.124 1.024 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.888 -3.563 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.713 -3.396 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.922 -1.701 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.470 -4.809 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.888 -1.366 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.007 -5.418 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.426 -1.981 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.987 -4.006 -4.526 1.00 0.00 H new ATOM 243 N PHE A 16 -1.723 -0.341 -1.782 1.00 0.00 N ATOM 244 CA PHE A 16 -1.584 0.729 -2.815 1.00 0.00 C ATOM 245 C PHE A 16 -0.325 0.500 -3.646 1.00 0.00 C ATOM 246 O PHE A 16 -0.284 0.832 -4.815 1.00 0.00 O ATOM 247 CB PHE A 16 -1.492 2.043 -2.036 1.00 0.00 C ATOM 248 CG PHE A 16 -1.904 3.187 -2.931 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.017 3.671 -3.900 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.173 3.763 -2.792 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.400 4.732 -4.731 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.554 4.824 -3.622 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.668 5.309 -4.591 1.00 0.00 C ATOM 0 H PHE A 16 -1.537 -0.047 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.424 0.737 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.136 2.004 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.474 2.196 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.038 3.227 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.857 3.389 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.717 5.105 -5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.532 5.269 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.962 6.128 -5.230 1.00 0.00 H new ATOM 263 N LEU A 17 0.687 -0.102 -3.069 1.00 0.00 N ATOM 264 CA LEU A 17 1.922 -0.389 -3.856 1.00 0.00 C ATOM 265 C LEU A 17 1.561 -1.447 -4.895 1.00 0.00 C ATOM 266 O LEU A 17 1.489 -1.164 -6.074 1.00 0.00 O ATOM 267 CB LEU A 17 2.937 -0.919 -2.845 1.00 0.00 C ATOM 268 CG LEU A 17 3.511 0.252 -2.048 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.536 0.644 -0.937 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.845 -0.161 -1.429 1.00 0.00 C ATOM 0 H LEU A 17 0.710 -0.404 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 17 2.330 0.478 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.460 -1.633 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.737 -1.451 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 17 3.663 1.102 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.947 1.479 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.583 0.938 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.382 -0.205 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.256 0.673 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.690 -1.012 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.542 -0.440 -2.219 1.00 0.00 H new ATOM 282 N PHE A 18 1.338 -2.666 -4.443 1.00 0.00 N ATOM 283 CA PHE A 18 0.957 -3.803 -5.365 1.00 0.00 C ATOM 284 C PHE A 18 0.047 -3.298 -6.507 1.00 0.00 C ATOM 285 O PHE A 18 0.356 -3.468 -7.670 1.00 0.00 O ATOM 286 CB PHE A 18 0.219 -4.804 -4.459 1.00 0.00 C ATOM 287 CG PHE A 18 -0.356 -5.941 -5.280 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.436 -7.052 -5.596 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.685 -5.883 -5.718 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.101 -8.103 -6.352 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.222 -6.932 -6.473 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.431 -8.043 -6.790 1.00 0.00 C ATOM 0 H PHE A 18 1.404 -2.928 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 18 1.821 -4.256 -5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.905 -5.199 -3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.581 -4.295 -3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.460 -7.099 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.297 -5.027 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.510 -8.959 -6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.247 -6.885 -6.811 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.845 -8.853 -7.372 1.00 0.00 H new ATOM 302 N CYS A 19 -1.067 -2.679 -6.186 1.00 0.00 N ATOM 303 CA CYS A 19 -1.970 -2.170 -7.264 1.00 0.00 C ATOM 304 C CYS A 19 -1.261 -1.088 -8.090 1.00 0.00 C ATOM 305 O CYS A 19 -1.356 -1.062 -9.302 1.00 0.00 O ATOM 306 CB CYS A 19 -3.183 -1.581 -6.533 1.00 0.00 C ATOM 307 SG CYS A 19 -4.406 -1.001 -7.737 1.00 0.00 S ATOM 0 H CYS A 19 -1.386 -2.507 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.260 -2.959 -7.958 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.628 -2.335 -5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.868 -0.755 -5.895 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.431 -0.505 -7.110 1.00 0.00 H new ATOM 313 N SER A 20 -0.565 -0.190 -7.438 1.00 0.00 N ATOM 314 CA SER A 20 0.139 0.906 -8.180 1.00 0.00 C ATOM 315 C SER A 20 1.098 0.335 -9.232 1.00 0.00 C ATOM 316 O SER A 20 1.345 0.960 -10.248 1.00 0.00 O ATOM 317 CB SER A 20 0.916 1.691 -7.123 1.00 0.00 C ATOM 318 OG SER A 20 0.047 2.629 -6.502 1.00 0.00 O ATOM 0 H SER A 20 -0.453 -0.167 -6.424 1.00 0.00 H new ATOM 0 HA SER A 20 -0.571 1.537 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.328 1.011 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.758 2.207 -7.583 1.00 0.00 H new ATOM 0 HG SER A 20 -0.096 2.373 -5.567 1.00 0.00 H new ATOM 324 N GLU A 21 1.648 -0.836 -9.002 1.00 0.00 N ATOM 325 CA GLU A 21 2.596 -1.415 -10.003 1.00 0.00 C ATOM 326 C GLU A 21 1.860 -2.314 -11.007 1.00 0.00 C ATOM 327 O GLU A 21 2.307 -2.477 -12.128 1.00 0.00 O ATOM 328 CB GLU A 21 3.632 -2.209 -9.194 1.00 0.00 C ATOM 329 CG GLU A 21 2.958 -3.340 -8.416 1.00 0.00 C ATOM 330 CD GLU A 21 3.982 -4.439 -8.121 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.854 -4.648 -8.949 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.875 -5.055 -7.073 1.00 0.00 O ATOM 0 H GLU A 21 1.483 -1.408 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 21 3.075 -0.635 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.386 -2.621 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.149 -1.543 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.542 -2.957 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.128 -3.747 -8.993 1.00 0.00 H new ATOM 339 N HIS A 22 0.740 -2.895 -10.633 1.00 0.00 N ATOM 340 CA HIS A 22 -0.006 -3.771 -11.592 1.00 0.00 C ATOM 341 C HIS A 22 -1.193 -3.013 -12.205 1.00 0.00 C ATOM 342 O HIS A 22 -2.090 -3.613 -12.768 1.00 0.00 O ATOM 343 CB HIS A 22 -0.526 -4.936 -10.745 1.00 0.00 C ATOM 344 CG HIS A 22 0.614 -5.822 -10.326 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.295 -6.628 -11.225 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.191 -6.055 -9.103 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.232 -7.303 -10.533 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.212 -6.990 -9.236 1.00 0.00 N ATOM 0 H HIS A 22 0.315 -2.800 -9.711 1.00 0.00 H new ATOM 0 HA HIS A 22 0.630 -4.100 -12.414 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.041 -4.553 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.254 -5.513 -11.315 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.897 -5.584 -8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.917 -8.012 -10.974 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.816 -7.357 -8.500 1.00 0.00 H new ATOM 356 N ARG A 23 -1.211 -1.706 -12.096 1.00 0.00 N ATOM 357 CA ARG A 23 -2.344 -0.917 -12.665 1.00 0.00 C ATOM 358 C ARG A 23 -2.188 -0.711 -14.187 1.00 0.00 C ATOM 359 O ARG A 23 -3.151 -0.883 -14.910 1.00 0.00 O ATOM 360 CB ARG A 23 -2.322 0.419 -11.916 1.00 0.00 C ATOM 361 CG ARG A 23 -3.511 1.275 -12.360 1.00 0.00 C ATOM 362 CD ARG A 23 -4.742 0.912 -11.527 1.00 0.00 C ATOM 363 NE ARG A 23 -4.515 1.557 -10.204 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.282 2.538 -9.816 1.00 0.00 C ATOM 365 NH1 ARG A 23 -5.360 3.629 -10.530 1.00 0.00 N ATOM 366 NH2 ARG A 23 -5.973 2.431 -8.714 1.00 0.00 N ATOM 0 H ARG A 23 -0.488 -1.153 -11.636 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.294 -1.436 -12.539 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.367 0.246 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.388 0.944 -12.115 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.276 2.333 -12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.714 1.112 -13.418 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.656 1.279 -11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.846 -0.168 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.759 1.231 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.821 3.714 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.960 4.396 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.913 1.580 -8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.573 3.199 -8.411 1.00 0.00 H new ATOM 380 N PRO A 24 -1.002 -0.348 -14.649 1.00 0.00 N ATOM 381 CA PRO A 24 -0.814 -0.138 -16.107 1.00 0.00 C ATOM 382 C PRO A 24 -0.765 -1.478 -16.861 1.00 0.00 C ATOM 383 O PRO A 24 -0.723 -1.503 -18.077 1.00 0.00 O ATOM 384 CB PRO A 24 0.526 0.584 -16.202 1.00 0.00 C ATOM 385 CG PRO A 24 1.269 0.198 -14.965 1.00 0.00 C ATOM 386 CD PRO A 24 0.246 -0.103 -13.899 1.00 0.00 C ATOM 0 HA PRO A 24 -1.633 0.425 -16.555 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.071 0.286 -17.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.388 1.664 -16.257 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.897 -0.673 -15.151 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.929 1.005 -14.646 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.532 -0.973 -13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.136 0.731 -13.206 1.00 0.00 H new ATOM 394 N LYS A 25 -0.772 -2.587 -16.157 1.00 0.00 N ATOM 395 CA LYS A 25 -0.726 -3.913 -16.845 1.00 0.00 C ATOM 396 C LYS A 25 -2.145 -4.407 -17.137 1.00 0.00 C ATOM 397 O LYS A 25 -2.388 -5.069 -18.130 1.00 0.00 O ATOM 398 CB LYS A 25 -0.026 -4.846 -15.856 1.00 0.00 C ATOM 399 CG LYS A 25 0.452 -6.102 -16.589 1.00 0.00 C ATOM 400 CD LYS A 25 1.532 -6.798 -15.760 1.00 0.00 C ATOM 401 CE LYS A 25 2.873 -6.090 -15.969 1.00 0.00 C ATOM 402 NZ LYS A 25 3.795 -6.717 -14.983 1.00 0.00 N ATOM 0 H LYS A 25 -0.808 -2.628 -15.138 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.204 -3.865 -17.801 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.821 -4.336 -15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.709 -5.119 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.386 -6.779 -16.756 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.847 -5.835 -17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.261 -6.782 -14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.612 -7.845 -16.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.235 -6.223 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.784 -5.017 -15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.737 -6.284 -15.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.428 -6.569 -14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.865 -7.737 -15.173 1.00 0.00 H new ATOM 416 N ILE A 26 -3.082 -4.091 -16.279 1.00 0.00 N ATOM 417 CA ILE A 26 -4.492 -4.539 -16.499 1.00 0.00 C ATOM 418 C ILE A 26 -5.187 -3.626 -17.517 1.00 0.00 C ATOM 419 O ILE A 26 -6.114 -4.031 -18.188 1.00 0.00 O ATOM 420 CB ILE A 26 -5.165 -4.438 -15.124 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.421 -5.326 -14.111 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.627 -4.890 -15.228 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.438 -6.790 -14.569 1.00 0.00 C ATOM 0 H ILE A 26 -2.931 -3.541 -15.433 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.546 -5.551 -16.899 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.131 -3.402 -14.786 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.392 -4.984 -14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.888 -5.240 -13.130 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.101 -4.817 -14.249 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.156 -4.252 -15.936 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.665 -5.923 -15.573 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.908 -7.405 -13.842 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.469 -7.133 -14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.949 -6.873 -15.540 1.00 0.00 H new ATOM 435 N LYS A 27 -4.734 -2.403 -17.644 1.00 0.00 N ATOM 436 CA LYS A 27 -5.357 -1.464 -18.631 1.00 0.00 C ATOM 437 C LYS A 27 -4.922 -1.820 -20.060 1.00 0.00 C ATOM 438 O LYS A 27 -5.597 -1.488 -21.018 1.00 0.00 O ATOM 439 CB LYS A 27 -4.839 -0.079 -18.241 1.00 0.00 C ATOM 440 CG LYS A 27 -5.406 0.310 -16.875 1.00 0.00 C ATOM 441 CD LYS A 27 -4.940 1.721 -16.511 1.00 0.00 C ATOM 442 CE LYS A 27 -5.747 2.748 -17.308 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.500 4.046 -16.623 1.00 0.00 N ATOM 0 H LYS A 27 -3.959 -2.013 -17.107 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.446 -1.513 -18.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.750 -0.083 -18.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.132 0.655 -18.991 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.495 0.270 -16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.076 -0.400 -16.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.068 1.893 -15.442 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.877 1.831 -16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.424 2.783 -18.348 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.808 2.499 -17.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.021 4.801 -17.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.824 3.985 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.482 4.260 -16.641 1.00 0.00 H new ATOM 457 N SER A 28 -3.806 -2.493 -20.213 1.00 0.00 N ATOM 458 CA SER A 28 -3.334 -2.872 -21.582 1.00 0.00 C ATOM 459 C SER A 28 -4.174 -4.033 -22.124 1.00 0.00 C ATOM 460 O SER A 28 -4.641 -4.004 -23.246 1.00 0.00 O ATOM 461 CB SER A 28 -1.878 -3.303 -21.401 1.00 0.00 C ATOM 462 OG SER A 28 -1.122 -2.205 -20.906 1.00 0.00 O ATOM 0 H SER A 28 -3.202 -2.796 -19.449 1.00 0.00 H new ATOM 0 HA SER A 28 -3.427 -2.050 -22.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.818 -4.142 -20.708 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.467 -3.644 -22.351 1.00 0.00 H new ATOM 0 HG SER A 28 -1.167 -2.192 -19.927 1.00 0.00 H new ATOM 468 N GLU A 29 -4.375 -5.048 -21.322 1.00 0.00 N ATOM 469 CA GLU A 29 -5.195 -6.217 -21.769 1.00 0.00 C ATOM 470 C GLU A 29 -6.695 -5.954 -21.542 1.00 0.00 C ATOM 471 O GLU A 29 -7.519 -6.823 -21.756 1.00 0.00 O ATOM 472 CB GLU A 29 -4.719 -7.382 -20.902 1.00 0.00 C ATOM 473 CG GLU A 29 -3.285 -7.754 -21.288 1.00 0.00 C ATOM 474 CD GLU A 29 -2.976 -9.170 -20.799 1.00 0.00 C ATOM 475 OE1 GLU A 29 -2.916 -9.361 -19.596 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.803 -10.040 -21.638 1.00 0.00 O ATOM 0 H GLU A 29 -4.006 -5.118 -20.374 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.074 -6.416 -22.834 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.763 -7.107 -19.848 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.377 -8.241 -21.035 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.162 -7.696 -22.369 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.583 -7.045 -20.849 1.00 0.00 H new ATOM 483 N HIS A 30 -7.056 -4.759 -21.133 1.00 0.00 N ATOM 484 CA HIS A 30 -8.497 -4.425 -20.916 1.00 0.00 C ATOM 485 C HIS A 30 -8.688 -2.910 -21.074 1.00 0.00 C ATOM 486 O HIS A 30 -8.678 -2.185 -20.101 1.00 0.00 O ATOM 487 CB HIS A 30 -8.845 -4.853 -19.482 1.00 0.00 C ATOM 488 CG HIS A 30 -8.630 -6.331 -19.300 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.652 -7.253 -19.456 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.522 -7.056 -18.950 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.140 -8.471 -19.200 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.844 -8.408 -18.885 1.00 0.00 N ATOM 0 H HIS A 30 -6.407 -3.997 -20.939 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.140 -4.933 -21.635 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.228 -4.301 -18.773 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.883 -4.602 -19.264 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.545 -6.640 -18.754 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.708 -9.388 -19.244 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.224 -9.183 -18.648 1.00 0.00 H new ATOM 500 N PRO A 31 -8.850 -2.473 -22.299 1.00 0.00 N ATOM 501 CA PRO A 31 -9.042 -1.022 -22.560 1.00 0.00 C ATOM 502 C PRO A 31 -10.390 -0.556 -22.001 1.00 0.00 C ATOM 503 O PRO A 31 -11.423 -1.126 -22.296 1.00 0.00 O ATOM 504 CB PRO A 31 -9.012 -0.926 -24.086 1.00 0.00 C ATOM 505 CG PRO A 31 -9.408 -2.288 -24.559 1.00 0.00 C ATOM 506 CD PRO A 31 -8.875 -3.259 -23.541 1.00 0.00 C ATOM 0 HA PRO A 31 -8.287 -0.393 -22.088 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.702 -0.164 -24.449 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.020 -0.654 -24.446 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.492 -2.370 -24.645 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.994 -2.493 -25.546 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.516 -4.136 -23.448 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.881 -3.617 -23.810 1.00 0.00 H new ATOM 514 N GLY A 32 -10.380 0.470 -21.186 1.00 0.00 N ATOM 515 CA GLY A 32 -11.655 0.971 -20.589 1.00 0.00 C ATOM 516 C GLY A 32 -11.845 0.367 -19.191 1.00 0.00 C ATOM 517 O GLY A 32 -12.574 0.895 -18.374 1.00 0.00 O ATOM 0 H GLY A 32 -9.543 0.982 -20.909 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.635 2.059 -20.526 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.497 0.704 -21.228 1.00 0.00 H new ATOM 521 N LEU A 33 -11.200 -0.744 -18.915 1.00 0.00 N ATOM 522 CA LEU A 33 -11.335 -1.412 -17.576 1.00 0.00 C ATOM 523 C LEU A 33 -11.174 -0.408 -16.424 1.00 0.00 C ATOM 524 O LEU A 33 -10.081 0.013 -16.099 1.00 0.00 O ATOM 525 CB LEU A 33 -10.199 -2.445 -17.554 1.00 0.00 C ATOM 526 CG LEU A 33 -10.500 -3.589 -16.576 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.567 -3.045 -15.153 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.831 -4.263 -16.934 1.00 0.00 C ATOM 0 H LEU A 33 -10.579 -1.222 -19.567 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.320 -1.860 -17.442 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.054 -2.850 -18.556 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.267 -1.957 -17.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.702 -4.328 -16.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.781 -3.860 -14.462 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.612 -2.589 -14.892 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.356 -2.296 -15.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.030 -5.072 -16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.636 -3.530 -16.881 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.774 -4.667 -17.945 1.00 0.00 H new ATOM 540 N SER A 34 -12.268 -0.031 -15.812 1.00 0.00 N ATOM 541 CA SER A 34 -12.210 0.943 -14.675 1.00 0.00 C ATOM 542 C SER A 34 -11.277 0.423 -13.574 1.00 0.00 C ATOM 543 O SER A 34 -10.637 -0.600 -13.727 1.00 0.00 O ATOM 544 CB SER A 34 -13.645 1.040 -14.155 1.00 0.00 C ATOM 545 OG SER A 34 -14.220 -0.259 -14.116 1.00 0.00 O ATOM 0 H SER A 34 -13.205 -0.357 -16.051 1.00 0.00 H new ATOM 0 HA SER A 34 -11.824 1.913 -14.988 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.654 1.484 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.234 1.692 -14.800 1.00 0.00 H new ATOM 0 HG SER A 34 -15.139 -0.200 -13.781 1.00 0.00 H new ATOM 551 N ILE A 35 -11.196 1.121 -12.470 1.00 0.00 N ATOM 552 CA ILE A 35 -10.302 0.671 -11.358 1.00 0.00 C ATOM 553 C ILE A 35 -11.077 -0.206 -10.363 1.00 0.00 C ATOM 554 O ILE A 35 -10.637 -0.426 -9.249 1.00 0.00 O ATOM 555 CB ILE A 35 -9.828 1.964 -10.684 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.105 2.848 -11.706 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.863 1.628 -9.544 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.885 4.240 -11.111 1.00 0.00 C ATOM 0 H ILE A 35 -11.710 1.983 -12.290 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.469 0.069 -11.720 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.694 2.495 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.148 2.401 -11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.693 2.921 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.528 2.549 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.371 1.003 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.002 1.092 -9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.371 4.869 -11.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.848 4.686 -10.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.279 4.158 -10.209 1.00 0.00 H new ATOM 570 N GLY A 36 -12.222 -0.713 -10.753 1.00 0.00 N ATOM 571 CA GLY A 36 -13.016 -1.577 -9.829 1.00 0.00 C ATOM 572 C GLY A 36 -12.786 -3.047 -10.181 1.00 0.00 C ATOM 573 O GLY A 36 -12.500 -3.861 -9.323 1.00 0.00 O ATOM 0 H GLY A 36 -12.639 -0.565 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.722 -1.389 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.076 -1.335 -9.908 1.00 0.00 H new ATOM 577 N ASP A 37 -12.911 -3.391 -11.437 1.00 0.00 N ATOM 578 CA ASP A 37 -12.703 -4.812 -11.855 1.00 0.00 C ATOM 579 C ASP A 37 -11.253 -5.234 -11.599 1.00 0.00 C ATOM 580 O ASP A 37 -11.002 -6.262 -10.997 1.00 0.00 O ATOM 581 CB ASP A 37 -13.019 -4.848 -13.350 1.00 0.00 C ATOM 582 CG ASP A 37 -14.489 -4.487 -13.571 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.307 -5.392 -13.569 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.771 -3.312 -13.738 1.00 0.00 O ATOM 0 H ASP A 37 -13.148 -2.749 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.337 -5.499 -11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.377 -4.148 -13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.813 -5.840 -13.752 1.00 0.00 H new ATOM 589 N THR A 38 -10.298 -4.455 -12.051 1.00 0.00 N ATOM 590 CA THR A 38 -8.867 -4.825 -11.826 1.00 0.00 C ATOM 591 C THR A 38 -8.569 -4.817 -10.326 1.00 0.00 C ATOM 592 O THR A 38 -7.790 -5.612 -9.836 1.00 0.00 O ATOM 593 CB THR A 38 -8.030 -3.779 -12.577 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.653 -4.083 -12.420 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.299 -2.375 -12.035 1.00 0.00 C ATOM 0 H THR A 38 -10.448 -3.585 -12.562 1.00 0.00 H new ATOM 0 HA THR A 38 -8.634 -5.825 -12.192 1.00 0.00 H new ATOM 0 HB THR A 38 -8.306 -3.804 -13.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.113 -3.339 -12.759 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.695 -1.652 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.355 -2.133 -12.158 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.040 -2.338 -10.977 1.00 0.00 H new ATOM 603 N ALA A 39 -9.209 -3.940 -9.594 1.00 0.00 N ATOM 604 CA ALA A 39 -8.993 -3.895 -8.117 1.00 0.00 C ATOM 605 C ALA A 39 -9.495 -5.202 -7.497 1.00 0.00 C ATOM 606 O ALA A 39 -8.997 -5.654 -6.483 1.00 0.00 O ATOM 607 CB ALA A 39 -9.820 -2.708 -7.619 1.00 0.00 C ATOM 0 H ALA A 39 -9.871 -3.254 -9.956 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.942 -3.783 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.709 -2.615 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.471 -1.794 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.870 -2.868 -7.863 1.00 0.00 H new ATOM 613 N LYS A 40 -10.472 -5.819 -8.118 1.00 0.00 N ATOM 614 CA LYS A 40 -11.007 -7.109 -7.593 1.00 0.00 C ATOM 615 C LYS A 40 -10.053 -8.243 -7.971 1.00 0.00 C ATOM 616 O LYS A 40 -9.910 -9.214 -7.250 1.00 0.00 O ATOM 617 CB LYS A 40 -12.364 -7.291 -8.275 1.00 0.00 C ATOM 618 CG LYS A 40 -13.426 -6.495 -7.514 1.00 0.00 C ATOM 619 CD LYS A 40 -14.726 -6.477 -8.320 1.00 0.00 C ATOM 620 CE LYS A 40 -15.492 -7.781 -8.081 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.821 -7.568 -8.720 1.00 0.00 N ATOM 0 H LYS A 40 -10.922 -5.481 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.106 -7.113 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.312 -6.952 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.633 -8.347 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.599 -6.942 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.078 -5.476 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.337 -5.624 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.507 -6.361 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.973 -8.631 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.595 -7.989 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.405 -8.420 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.295 -6.757 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.692 -7.379 -9.734 1.00 0.00 H new ATOM 635 N LYS A 41 -9.386 -8.117 -9.092 1.00 0.00 N ATOM 636 CA LYS A 41 -8.420 -9.171 -9.522 1.00 0.00 C ATOM 637 C LYS A 41 -7.044 -8.912 -8.889 1.00 0.00 C ATOM 638 O LYS A 41 -6.234 -9.810 -8.758 1.00 0.00 O ATOM 639 CB LYS A 41 -8.344 -9.043 -11.044 1.00 0.00 C ATOM 640 CG LYS A 41 -7.750 -10.323 -11.635 1.00 0.00 C ATOM 641 CD LYS A 41 -7.431 -10.103 -13.115 1.00 0.00 C ATOM 642 CE LYS A 41 -7.267 -11.456 -13.810 1.00 0.00 C ATOM 643 NZ LYS A 41 -5.915 -11.934 -13.405 1.00 0.00 N ATOM 0 H LYS A 41 -9.471 -7.325 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.731 -10.169 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.338 -8.867 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.730 -8.185 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.845 -10.600 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.453 -11.148 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.230 -9.534 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.518 -9.517 -13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.043 -12.156 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.343 -11.356 -14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.501 -12.498 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.303 -11.117 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.996 -12.521 -12.551 1.00 0.00 H new ATOM 657 N LEU A 42 -6.789 -7.692 -8.479 1.00 0.00 N ATOM 658 CA LEU A 42 -5.485 -7.367 -7.833 1.00 0.00 C ATOM 659 C LEU A 42 -5.534 -7.785 -6.364 1.00 0.00 C ATOM 660 O LEU A 42 -4.750 -8.597 -5.913 1.00 0.00 O ATOM 661 CB LEU A 42 -5.349 -5.850 -7.953 1.00 0.00 C ATOM 662 CG LEU A 42 -4.387 -5.505 -9.087 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.988 -5.933 -10.427 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.155 -4.000 -9.095 1.00 0.00 C ATOM 0 H LEU A 42 -7.434 -6.906 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.644 -7.883 -8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.325 -5.402 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.984 -5.433 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.443 -6.028 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.297 -5.684 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.164 -7.009 -10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.932 -5.412 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.469 -3.742 -9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.104 -3.486 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.726 -3.693 -8.141 1.00 0.00 H new ATOM 676 N GLY A 43 -6.465 -7.238 -5.616 1.00 0.00 N ATOM 677 CA GLY A 43 -6.596 -7.599 -4.167 1.00 0.00 C ATOM 678 C GLY A 43 -6.656 -9.124 -4.018 1.00 0.00 C ATOM 679 O GLY A 43 -6.257 -9.673 -3.008 1.00 0.00 O ATOM 0 H GLY A 43 -7.143 -6.553 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.750 -7.202 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.496 -7.147 -3.750 1.00 0.00 H new ATOM 683 N GLU A 44 -7.122 -9.808 -5.035 1.00 0.00 N ATOM 684 CA GLU A 44 -7.174 -11.296 -4.973 1.00 0.00 C ATOM 685 C GLU A 44 -5.744 -11.830 -5.019 1.00 0.00 C ATOM 686 O GLU A 44 -5.395 -12.766 -4.324 1.00 0.00 O ATOM 687 CB GLU A 44 -7.955 -11.732 -6.215 1.00 0.00 C ATOM 688 CG GLU A 44 -8.190 -13.243 -6.167 1.00 0.00 C ATOM 689 CD GLU A 44 -9.383 -13.546 -5.257 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.496 -13.247 -5.655 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.162 -14.072 -4.179 1.00 0.00 O ATOM 0 H GLU A 44 -7.467 -9.398 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.648 -11.670 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.909 -11.206 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.402 -11.468 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.379 -13.624 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.299 -13.749 -5.796 1.00 0.00 H new ATOM 698 N MET A 45 -4.910 -11.223 -5.828 1.00 0.00 N ATOM 699 CA MET A 45 -3.489 -11.667 -5.924 1.00 0.00 C ATOM 700 C MET A 45 -2.697 -11.113 -4.738 1.00 0.00 C ATOM 701 O MET A 45 -1.914 -11.813 -4.130 1.00 0.00 O ATOM 702 CB MET A 45 -2.971 -11.082 -7.238 1.00 0.00 C ATOM 703 CG MET A 45 -3.242 -12.067 -8.378 1.00 0.00 C ATOM 704 SD MET A 45 -2.310 -11.564 -9.845 1.00 0.00 S ATOM 705 CE MET A 45 -3.496 -12.149 -11.080 1.00 0.00 C ATOM 0 H MET A 45 -5.156 -10.436 -6.428 1.00 0.00 H new ATOM 0 HA MET A 45 -3.389 -12.752 -5.903 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.460 -10.130 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.902 -10.882 -7.163 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.953 -13.075 -8.079 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.308 -12.095 -8.603 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.132 -11.905 -12.078 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.612 -13.229 -10.990 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.459 -11.666 -10.917 1.00 0.00 H new ATOM 715 N TRP A 46 -2.914 -9.863 -4.387 1.00 0.00 N ATOM 716 CA TRP A 46 -2.188 -9.254 -3.217 1.00 0.00 C ATOM 717 C TRP A 46 -2.339 -10.156 -1.981 1.00 0.00 C ATOM 718 O TRP A 46 -1.375 -10.458 -1.303 1.00 0.00 O ATOM 719 CB TRP A 46 -2.858 -7.886 -3.003 1.00 0.00 C ATOM 720 CG TRP A 46 -2.326 -7.238 -1.764 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.067 -6.865 -0.696 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.952 -6.888 -1.452 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.229 -6.306 0.253 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.915 -6.298 -0.169 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.254 -7.025 -2.157 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.281 -5.859 0.396 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.460 -6.586 -1.593 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.473 -6.004 -0.320 1.00 0.00 C ATOM 0 H TRP A 46 -3.564 -9.236 -4.861 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.117 -9.147 -3.392 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.675 -7.244 -3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.938 -8.011 -2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.136 -6.984 -0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.544 -5.944 1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.253 -7.472 -3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.287 -5.411 1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.383 -6.697 -2.143 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.405 -5.667 0.109 1.00 0.00 H new ATOM 739 N SER A 47 -3.540 -10.596 -1.700 1.00 0.00 N ATOM 740 CA SER A 47 -3.757 -11.494 -0.524 1.00 0.00 C ATOM 741 C SER A 47 -3.060 -12.847 -0.747 1.00 0.00 C ATOM 742 O SER A 47 -2.946 -13.646 0.163 1.00 0.00 O ATOM 743 CB SER A 47 -5.271 -11.684 -0.434 1.00 0.00 C ATOM 744 OG SER A 47 -5.592 -12.324 0.795 1.00 0.00 O ATOM 0 H SER A 47 -4.380 -10.372 -2.234 1.00 0.00 H new ATOM 0 HA SER A 47 -3.345 -11.070 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.775 -10.719 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.624 -12.284 -1.273 1.00 0.00 H new ATOM 0 HG SER A 47 -6.562 -12.446 0.857 1.00 0.00 H new ATOM 750 N GLU A 48 -2.579 -13.102 -1.943 1.00 0.00 N ATOM 751 CA GLU A 48 -1.877 -14.380 -2.224 1.00 0.00 C ATOM 752 C GLU A 48 -0.366 -14.149 -2.299 1.00 0.00 C ATOM 753 O GLU A 48 0.407 -15.089 -2.265 1.00 0.00 O ATOM 754 CB GLU A 48 -2.421 -14.826 -3.582 1.00 0.00 C ATOM 755 CG GLU A 48 -3.787 -15.490 -3.393 1.00 0.00 C ATOM 756 CD GLU A 48 -4.190 -16.203 -4.685 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.432 -15.519 -5.666 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.251 -17.422 -4.672 1.00 0.00 O ATOM 0 H GLU A 48 -2.648 -12.468 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.042 -15.127 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.511 -13.968 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.728 -15.524 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.746 -16.203 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.534 -14.741 -3.130 1.00 0.00 H new ATOM 765 N GLN A 49 0.073 -12.909 -2.393 1.00 0.00 N ATOM 766 CA GLN A 49 1.542 -12.642 -2.459 1.00 0.00 C ATOM 767 C GLN A 49 2.219 -13.175 -1.198 1.00 0.00 C ATOM 768 O GLN A 49 1.685 -13.079 -0.110 1.00 0.00 O ATOM 769 CB GLN A 49 1.684 -11.111 -2.526 1.00 0.00 C ATOM 770 CG GLN A 49 1.063 -10.574 -3.820 1.00 0.00 C ATOM 771 CD GLN A 49 1.771 -11.178 -5.036 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.954 -11.450 -4.992 1.00 0.00 O ATOM 773 NE2 GLN A 49 1.089 -11.400 -6.126 1.00 0.00 N ATOM 0 H GLN A 49 -0.522 -12.081 -2.426 1.00 0.00 H new ATOM 0 HA GLN A 49 2.007 -13.127 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.196 -10.656 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.737 -10.834 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.001 -10.817 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.142 -9.487 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.096 -11.171 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.549 -11.802 -6.942 1.00 0.00 H new ATOM 782 N SER A 50 3.390 -13.726 -1.338 1.00 0.00 N ATOM 783 CA SER A 50 4.117 -14.255 -0.151 1.00 0.00 C ATOM 784 C SER A 50 5.032 -13.143 0.409 1.00 0.00 C ATOM 785 O SER A 50 4.548 -12.089 0.777 1.00 0.00 O ATOM 786 CB SER A 50 4.898 -15.462 -0.681 1.00 0.00 C ATOM 787 OG SER A 50 5.857 -15.019 -1.633 1.00 0.00 O ATOM 0 H SER A 50 3.878 -13.834 -2.227 1.00 0.00 H new ATOM 0 HA SER A 50 3.470 -14.558 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.395 -15.977 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.216 -16.178 -1.140 1.00 0.00 H new ATOM 0 HG SER A 50 6.360 -15.788 -1.973 1.00 0.00 H new ATOM 793 N ALA A 51 6.333 -13.344 0.476 1.00 0.00 N ATOM 794 CA ALA A 51 7.224 -12.270 1.007 1.00 0.00 C ATOM 795 C ALA A 51 7.993 -11.582 -0.135 1.00 0.00 C ATOM 796 O ALA A 51 8.720 -10.634 0.092 1.00 0.00 O ATOM 797 CB ALA A 51 8.192 -12.987 1.949 1.00 0.00 C ATOM 0 H ALA A 51 6.807 -14.200 0.187 1.00 0.00 H new ATOM 0 HA ALA A 51 6.659 -11.488 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.882 -12.263 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.630 -13.474 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.754 -13.736 1.392 1.00 0.00 H new ATOM 803 N LYS A 52 7.839 -12.042 -1.357 1.00 0.00 N ATOM 804 CA LYS A 52 8.559 -11.399 -2.497 1.00 0.00 C ATOM 805 C LYS A 52 7.821 -10.127 -2.923 1.00 0.00 C ATOM 806 O LYS A 52 8.425 -9.108 -3.197 1.00 0.00 O ATOM 807 CB LYS A 52 8.540 -12.435 -3.620 1.00 0.00 C ATOM 808 CG LYS A 52 9.572 -12.054 -4.685 1.00 0.00 C ATOM 809 CD LYS A 52 9.536 -13.080 -5.821 1.00 0.00 C ATOM 810 CE LYS A 52 10.170 -12.475 -7.076 1.00 0.00 C ATOM 811 NZ LYS A 52 10.065 -13.540 -8.111 1.00 0.00 N ATOM 0 H LYS A 52 7.247 -12.833 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 52 9.577 -11.110 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.763 -13.424 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.546 -12.487 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.359 -11.058 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.568 -12.018 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.073 -13.982 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.507 -13.375 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.647 -11.570 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.209 -12.197 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.479 -13.200 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.578 -14.386 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.064 -13.779 -8.263 1.00 0.00 H new ATOM 825 N ASP A 53 6.514 -10.186 -2.972 1.00 0.00 N ATOM 826 CA ASP A 53 5.716 -8.991 -3.372 1.00 0.00 C ATOM 827 C ASP A 53 4.715 -8.640 -2.266 1.00 0.00 C ATOM 828 O ASP A 53 3.520 -8.584 -2.486 1.00 0.00 O ATOM 829 CB ASP A 53 4.982 -9.412 -4.645 1.00 0.00 C ATOM 830 CG ASP A 53 5.699 -8.836 -5.869 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.870 -9.134 -6.039 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.066 -8.109 -6.615 1.00 0.00 O ATOM 0 H ASP A 53 5.964 -11.016 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 53 6.338 -8.111 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.944 -10.499 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.951 -9.059 -4.616 1.00 0.00 H new ATOM 837 N LYS A 54 5.204 -8.411 -1.075 1.00 0.00 N ATOM 838 CA LYS A 54 4.301 -8.067 0.060 1.00 0.00 C ATOM 839 C LYS A 54 5.104 -7.614 1.286 1.00 0.00 C ATOM 840 O LYS A 54 4.662 -6.770 2.043 1.00 0.00 O ATOM 841 CB LYS A 54 3.556 -9.364 0.361 1.00 0.00 C ATOM 842 CG LYS A 54 2.091 -9.047 0.679 1.00 0.00 C ATOM 843 CD LYS A 54 1.451 -10.209 1.432 1.00 0.00 C ATOM 844 CE LYS A 54 1.967 -10.236 2.872 1.00 0.00 C ATOM 845 NZ LYS A 54 1.102 -9.272 3.608 1.00 0.00 N ATOM 0 H LYS A 54 6.196 -8.448 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 54 3.630 -7.244 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.617 -10.038 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.020 -9.876 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.030 -8.138 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.544 -8.857 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.366 -10.105 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.684 -11.150 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.895 -11.236 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.016 -9.943 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.661 -8.798 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.731 -8.562 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.310 -9.782 4.048 1.00 0.00 H new ATOM 859 N GLN A 55 6.278 -8.159 1.483 1.00 0.00 N ATOM 860 CA GLN A 55 7.111 -7.749 2.656 1.00 0.00 C ATOM 861 C GLN A 55 7.667 -6.332 2.444 1.00 0.00 C ATOM 862 O GLN A 55 7.471 -5.473 3.279 1.00 0.00 O ATOM 863 CB GLN A 55 8.248 -8.770 2.727 1.00 0.00 C ATOM 864 CG GLN A 55 7.868 -9.894 3.694 1.00 0.00 C ATOM 865 CD GLN A 55 7.769 -9.334 5.115 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.771 -9.101 5.761 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.592 -9.107 5.633 1.00 0.00 N ATOM 0 H GLN A 55 6.696 -8.870 0.883 1.00 0.00 H new ATOM 0 HA GLN A 55 6.533 -7.728 3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.445 -9.180 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.166 -8.285 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.916 -10.336 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.613 -10.688 3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.750 -9.302 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.515 -8.734 6.579 1.00 0.00 H new ATOM 876 N PRO A 56 8.341 -6.117 1.329 1.00 0.00 N ATOM 877 CA PRO A 56 8.903 -4.772 1.048 1.00 0.00 C ATOM 878 C PRO A 56 7.792 -3.779 0.668 1.00 0.00 C ATOM 879 O PRO A 56 8.042 -2.598 0.510 1.00 0.00 O ATOM 880 CB PRO A 56 9.841 -5.009 -0.132 1.00 0.00 C ATOM 881 CG PRO A 56 9.312 -6.231 -0.810 1.00 0.00 C ATOM 882 CD PRO A 56 8.647 -7.073 0.247 1.00 0.00 C ATOM 0 HA PRO A 56 9.408 -4.340 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.847 -4.154 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.867 -5.157 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.601 -5.961 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.119 -6.784 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.742 -7.548 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.305 -7.870 0.594 1.00 0.00 H new ATOM 890 N TYR A 57 6.570 -4.241 0.524 1.00 0.00 N ATOM 891 CA TYR A 57 5.455 -3.319 0.162 1.00 0.00 C ATOM 892 C TYR A 57 4.856 -2.703 1.430 1.00 0.00 C ATOM 893 O TYR A 57 4.442 -1.559 1.440 1.00 0.00 O ATOM 894 CB TYR A 57 4.425 -4.204 -0.542 1.00 0.00 C ATOM 895 CG TYR A 57 4.886 -4.497 -1.950 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.027 -5.281 -2.166 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.173 -3.985 -3.040 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.453 -5.551 -3.472 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.599 -4.256 -4.346 1.00 0.00 C ATOM 900 CZ TYR A 57 5.739 -5.038 -4.562 1.00 0.00 C ATOM 901 OH TYR A 57 6.160 -5.304 -5.849 1.00 0.00 O ATOM 0 H TYR A 57 6.302 -5.218 0.643 1.00 0.00 H new ATOM 0 HA TYR A 57 5.784 -2.495 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.293 -5.135 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.456 -3.706 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.578 -5.677 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.294 -3.380 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.333 -6.155 -3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.048 -3.861 -5.187 1.00 0.00 H new ATOM 0 HH TYR A 57 5.403 -5.627 -6.381 1.00 0.00 H new ATOM 911 N GLU A 58 4.811 -3.459 2.498 1.00 0.00 N ATOM 912 CA GLU A 58 4.242 -2.925 3.775 1.00 0.00 C ATOM 913 C GLU A 58 5.302 -2.129 4.548 1.00 0.00 C ATOM 914 O GLU A 58 4.974 -1.302 5.378 1.00 0.00 O ATOM 915 CB GLU A 58 3.787 -4.153 4.573 1.00 0.00 C ATOM 916 CG GLU A 58 4.971 -5.101 4.809 1.00 0.00 C ATOM 917 CD GLU A 58 4.976 -5.572 6.266 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.370 -4.792 7.118 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.588 -6.703 6.504 1.00 0.00 O ATOM 0 H GLU A 58 5.143 -4.422 2.542 1.00 0.00 H new ATOM 0 HA GLU A 58 3.413 -2.241 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.367 -3.839 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.997 -4.674 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.901 -5.959 4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.907 -4.593 4.578 1.00 0.00 H new ATOM 926 N GLN A 59 6.566 -2.347 4.267 1.00 0.00 N ATOM 927 CA GLN A 59 7.637 -1.573 4.971 1.00 0.00 C ATOM 928 C GLN A 59 7.977 -0.301 4.177 1.00 0.00 C ATOM 929 O GLN A 59 8.664 0.576 4.664 1.00 0.00 O ATOM 930 CB GLN A 59 8.849 -2.503 5.019 1.00 0.00 C ATOM 931 CG GLN A 59 8.494 -3.781 5.781 1.00 0.00 C ATOM 932 CD GLN A 59 9.747 -4.641 5.948 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.483 -4.485 6.902 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.024 -5.549 5.053 1.00 0.00 N ATOM 0 H GLN A 59 6.901 -3.025 3.583 1.00 0.00 H new ATOM 0 HA GLN A 59 7.325 -1.262 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.169 -2.750 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.685 -2.000 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.079 -3.531 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.728 -4.337 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.407 -5.681 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.858 -6.127 5.154 1.00 0.00 H new ATOM 943 N LYS A 60 7.477 -0.185 2.966 1.00 0.00 N ATOM 944 CA LYS A 60 7.739 1.035 2.152 1.00 0.00 C ATOM 945 C LYS A 60 6.618 2.042 2.407 1.00 0.00 C ATOM 946 O LYS A 60 6.820 3.241 2.364 1.00 0.00 O ATOM 947 CB LYS A 60 7.720 0.557 0.698 1.00 0.00 C ATOM 948 CG LYS A 60 8.205 1.684 -0.215 1.00 0.00 C ATOM 949 CD LYS A 60 8.188 1.205 -1.668 1.00 0.00 C ATOM 950 CE LYS A 60 9.000 2.170 -2.535 1.00 0.00 C ATOM 951 NZ LYS A 60 8.571 1.884 -3.932 1.00 0.00 N ATOM 0 H LYS A 60 6.897 -0.890 2.510 1.00 0.00 H new ATOM 0 HA LYS A 60 8.685 1.520 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.359 -0.319 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.711 0.255 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.565 2.559 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.213 1.987 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.605 0.200 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.162 1.149 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.800 3.207 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.071 2.008 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.085 2.507 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.779 0.892 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.549 2.053 -4.023 1.00 0.00 H new ATOM 965 N ALA A 61 5.438 1.551 2.691 1.00 0.00 N ATOM 966 CA ALA A 61 4.288 2.451 2.976 1.00 0.00 C ATOM 967 C ALA A 61 4.190 2.692 4.484 1.00 0.00 C ATOM 968 O ALA A 61 3.716 3.721 4.928 1.00 0.00 O ATOM 969 CB ALA A 61 3.059 1.690 2.473 1.00 0.00 C ATOM 0 H ALA A 61 5.224 0.555 2.737 1.00 0.00 H new ATOM 0 HA ALA A 61 4.385 3.425 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.164 2.288 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.163 1.495 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.973 0.744 3.008 1.00 0.00 H new ATOM 975 N ALA A 62 4.645 1.748 5.274 1.00 0.00 N ATOM 976 CA ALA A 62 4.589 1.917 6.756 1.00 0.00 C ATOM 977 C ALA A 62 5.448 3.108 7.175 1.00 0.00 C ATOM 978 O ALA A 62 5.014 3.942 7.949 1.00 0.00 O ATOM 979 CB ALA A 62 5.148 0.616 7.338 1.00 0.00 C ATOM 0 H ALA A 62 5.052 0.869 4.954 1.00 0.00 H new ATOM 0 HA ALA A 62 3.576 2.109 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.137 0.670 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.534 -0.223 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.172 0.473 6.992 1.00 0.00 H new ATOM 985 N LYS A 63 6.653 3.216 6.663 1.00 0.00 N ATOM 986 CA LYS A 63 7.515 4.381 7.031 1.00 0.00 C ATOM 987 C LYS A 63 7.065 5.636 6.264 1.00 0.00 C ATOM 988 O LYS A 63 7.508 6.734 6.548 1.00 0.00 O ATOM 989 CB LYS A 63 8.933 3.980 6.616 1.00 0.00 C ATOM 990 CG LYS A 63 9.946 4.892 7.312 1.00 0.00 C ATOM 991 CD LYS A 63 11.297 4.178 7.404 1.00 0.00 C ATOM 992 CE LYS A 63 11.887 4.020 6.001 1.00 0.00 C ATOM 993 NZ LYS A 63 12.951 2.988 6.146 1.00 0.00 N ATOM 0 H LYS A 63 7.072 2.552 6.012 1.00 0.00 H new ATOM 0 HA LYS A 63 7.455 4.617 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.121 2.940 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.042 4.056 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.053 5.825 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.592 5.153 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.979 4.748 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.173 3.201 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.127 3.706 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.297 4.962 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.403 2.824 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.664 3.318 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.530 2.101 6.488 1.00 0.00 H new ATOM 1007 N LEU A 64 6.174 5.485 5.309 1.00 0.00 N ATOM 1008 CA LEU A 64 5.678 6.661 4.541 1.00 0.00 C ATOM 1009 C LEU A 64 4.441 7.231 5.237 1.00 0.00 C ATOM 1010 O LEU A 64 4.173 8.416 5.176 1.00 0.00 O ATOM 1011 CB LEU A 64 5.320 6.108 3.158 1.00 0.00 C ATOM 1012 CG LEU A 64 6.405 6.480 2.137 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.479 8.002 1.995 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.767 5.942 2.595 1.00 0.00 C ATOM 0 H LEU A 64 5.771 4.590 5.032 1.00 0.00 H new ATOM 0 HA LEU A 64 6.411 7.465 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.215 5.024 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.358 6.507 2.837 1.00 0.00 H new ATOM 0 HG LEU A 64 6.151 6.036 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.250 8.263 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.516 8.383 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.724 8.446 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.529 6.211 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.023 6.375 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.718 4.857 2.685 1.00 0.00 H new ATOM 1026 N LYS A 65 3.703 6.391 5.921 1.00 0.00 N ATOM 1027 CA LYS A 65 2.495 6.872 6.652 1.00 0.00 C ATOM 1028 C LYS A 65 2.949 7.768 7.808 1.00 0.00 C ATOM 1029 O LYS A 65 2.437 8.854 8.006 1.00 0.00 O ATOM 1030 CB LYS A 65 1.804 5.594 7.161 1.00 0.00 C ATOM 1031 CG LYS A 65 0.625 5.957 8.070 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.245 4.720 8.297 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.404 5.076 9.231 1.00 0.00 C ATOM 1034 NZ LYS A 65 -0.821 5.025 10.601 1.00 0.00 N ATOM 0 H LYS A 65 3.888 5.391 6.003 1.00 0.00 H new ATOM 0 HA LYS A 65 1.814 7.459 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.453 5.001 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.518 4.979 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.991 6.337 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.034 6.752 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.630 4.353 7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.352 3.917 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.802 6.066 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.228 4.370 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.554 4.734 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.039 4.339 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.462 5.966 10.861 1.00 0.00 H new ATOM 1048 N GLU A 66 3.919 7.318 8.565 1.00 0.00 N ATOM 1049 CA GLU A 66 4.434 8.136 9.709 1.00 0.00 C ATOM 1050 C GLU A 66 4.938 9.491 9.199 1.00 0.00 C ATOM 1051 O GLU A 66 4.755 10.511 9.835 1.00 0.00 O ATOM 1052 CB GLU A 66 5.589 7.324 10.300 1.00 0.00 C ATOM 1053 CG GLU A 66 5.030 6.179 11.146 1.00 0.00 C ATOM 1054 CD GLU A 66 6.145 5.599 12.020 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.918 4.807 11.508 1.00 0.00 O ATOM 1056 OE2 GLU A 66 6.205 5.958 13.184 1.00 0.00 O ATOM 0 H GLU A 66 4.379 6.416 8.440 1.00 0.00 H new ATOM 0 HA GLU A 66 3.661 8.337 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.215 6.927 9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.223 7.966 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.213 6.540 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.618 5.403 10.501 1.00 0.00 H new ATOM 1063 N LYS A 67 5.562 9.502 8.047 1.00 0.00 N ATOM 1064 CA LYS A 67 6.072 10.788 7.479 1.00 0.00 C ATOM 1065 C LYS A 67 4.900 11.729 7.187 1.00 0.00 C ATOM 1066 O LYS A 67 5.039 12.937 7.224 1.00 0.00 O ATOM 1067 CB LYS A 67 6.785 10.402 6.180 1.00 0.00 C ATOM 1068 CG LYS A 67 8.231 10.009 6.487 1.00 0.00 C ATOM 1069 CD LYS A 67 9.107 10.289 5.266 1.00 0.00 C ATOM 1070 CE LYS A 67 10.555 9.897 5.574 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.373 10.632 4.570 1.00 0.00 N ATOM 0 H LYS A 67 5.740 8.676 7.476 1.00 0.00 H new ATOM 0 HA LYS A 67 6.740 11.307 8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.266 9.572 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.765 11.237 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.597 10.571 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.284 8.953 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.742 9.726 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.054 11.345 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.832 10.177 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.699 8.820 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.380 10.415 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.091 10.341 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.220 11.655 4.679 1.00 0.00 H new ATOM 1085 N TYR A 68 3.743 11.178 6.914 1.00 0.00 N ATOM 1086 CA TYR A 68 2.547 12.031 6.634 1.00 0.00 C ATOM 1087 C TYR A 68 2.144 12.775 7.908 1.00 0.00 C ATOM 1088 O TYR A 68 1.675 13.895 7.868 1.00 0.00 O ATOM 1089 CB TYR A 68 1.450 11.047 6.219 1.00 0.00 C ATOM 1090 CG TYR A 68 0.361 11.773 5.465 1.00 0.00 C ATOM 1091 CD1 TYR A 68 0.681 12.566 4.357 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -0.972 11.643 5.871 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -0.333 13.229 3.656 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -1.986 12.307 5.171 1.00 0.00 C ATOM 1095 CZ TYR A 68 -1.666 13.100 4.063 1.00 0.00 C ATOM 1096 OH TYR A 68 -2.666 13.753 3.371 1.00 0.00 O ATOM 0 H TYR A 68 3.575 10.173 6.873 1.00 0.00 H new ATOM 0 HA TYR A 68 2.733 12.779 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.873 10.260 5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.032 10.563 7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.710 12.666 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.218 11.030 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.087 13.840 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.014 12.208 5.486 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.532 13.556 3.784 1.00 0.00 H new ATOM 1106 N GLU A 69 2.327 12.145 9.039 1.00 0.00 N ATOM 1107 CA GLU A 69 1.962 12.789 10.340 1.00 0.00 C ATOM 1108 C GLU A 69 2.728 14.104 10.515 1.00 0.00 C ATOM 1109 O GLU A 69 2.182 15.092 10.967 1.00 0.00 O ATOM 1110 CB GLU A 69 2.371 11.783 11.417 1.00 0.00 C ATOM 1111 CG GLU A 69 1.590 10.481 11.223 1.00 0.00 C ATOM 1112 CD GLU A 69 1.479 9.747 12.560 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.595 10.087 13.329 1.00 0.00 O ATOM 1114 OE2 GLU A 69 2.280 8.857 12.793 1.00 0.00 O ATOM 0 H GLU A 69 2.716 11.206 9.120 1.00 0.00 H new ATOM 0 HA GLU A 69 0.900 13.030 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.442 11.589 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.174 12.194 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.596 10.696 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.092 9.849 10.490 1.00 0.00 H new ATOM 1121 N LYS A 70 3.984 14.125 10.144 1.00 0.00 N ATOM 1122 CA LYS A 70 4.785 15.379 10.269 1.00 0.00 C ATOM 1123 C LYS A 70 4.469 16.283 9.082 1.00 0.00 C ATOM 1124 O LYS A 70 4.405 17.493 9.201 1.00 0.00 O ATOM 1125 CB LYS A 70 6.246 14.929 10.235 1.00 0.00 C ATOM 1126 CG LYS A 70 6.624 14.310 11.582 1.00 0.00 C ATOM 1127 CD LYS A 70 6.208 12.838 11.603 1.00 0.00 C ATOM 1128 CE LYS A 70 6.969 12.107 12.709 1.00 0.00 C ATOM 1129 NZ LYS A 70 6.170 12.340 13.944 1.00 0.00 N ATOM 0 H LYS A 70 4.489 13.326 9.760 1.00 0.00 H new ATOM 0 HA LYS A 70 4.567 15.937 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.395 14.203 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.894 15.779 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.698 14.398 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.133 14.849 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.134 12.755 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.417 12.377 10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.057 11.043 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.982 12.496 12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.629 11.868 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.109 13.361 14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.213 11.953 13.816 1.00 0.00 H new ATOM 1143 N ASP A 71 4.247 15.690 7.938 1.00 0.00 N ATOM 1144 CA ASP A 71 3.901 16.489 6.727 1.00 0.00 C ATOM 1145 C ASP A 71 2.560 17.182 6.960 1.00 0.00 C ATOM 1146 O ASP A 71 2.437 18.385 6.822 1.00 0.00 O ATOM 1147 CB ASP A 71 3.796 15.467 5.591 1.00 0.00 C ATOM 1148 CG ASP A 71 5.083 15.484 4.762 1.00 0.00 C ATOM 1149 OD1 ASP A 71 5.204 16.347 3.911 1.00 0.00 O ATOM 1150 OD2 ASP A 71 5.926 14.632 4.996 1.00 0.00 O ATOM 0 H ASP A 71 4.291 14.682 7.791 1.00 0.00 H new ATOM 0 HA ASP A 71 4.636 17.260 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.628 14.471 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.940 15.700 4.957 1.00 0.00 H new ATOM 1155 N ILE A 72 1.560 16.424 7.332 1.00 0.00 N ATOM 1156 CA ILE A 72 0.220 17.026 7.601 1.00 0.00 C ATOM 1157 C ILE A 72 0.331 17.960 8.815 1.00 0.00 C ATOM 1158 O ILE A 72 -0.340 18.968 8.891 1.00 0.00 O ATOM 1159 CB ILE A 72 -0.711 15.825 7.874 1.00 0.00 C ATOM 1160 CG1 ILE A 72 -0.999 15.094 6.552 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -2.038 16.292 8.497 1.00 0.00 C ATOM 1162 CD1 ILE A 72 -1.729 16.023 5.571 1.00 0.00 C ATOM 0 H ILE A 72 1.614 15.414 7.461 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.164 17.626 6.776 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.215 15.153 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.064 14.750 6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.606 14.209 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.678 15.429 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.838 16.802 9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.540 16.977 7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.925 15.489 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.673 16.346 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.108 16.895 5.365 1.00 0.00 H new ATOM 1174 N ALA A 73 1.178 17.627 9.758 1.00 0.00 N ATOM 1175 CA ALA A 73 1.341 18.494 10.972 1.00 0.00 C ATOM 1176 C ALA A 73 1.707 19.927 10.560 1.00 0.00 C ATOM 1177 O ALA A 73 1.165 20.887 11.075 1.00 0.00 O ATOM 1178 CB ALA A 73 2.482 17.858 11.770 1.00 0.00 C ATOM 0 H ALA A 73 1.765 16.793 9.742 1.00 0.00 H new ATOM 0 HA ALA A 73 0.423 18.557 11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.660 18.438 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.212 16.837 12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.387 17.845 11.163 1.00 0.00 H new ATOM 1184 N ALA A 74 2.616 20.073 9.628 1.00 0.00 N ATOM 1185 CA ALA A 74 3.015 21.440 9.168 1.00 0.00 C ATOM 1186 C ALA A 74 1.885 22.081 8.350 1.00 0.00 C ATOM 1187 O ALA A 74 1.860 23.280 8.149 1.00 0.00 O ATOM 1188 CB ALA A 74 4.253 21.227 8.292 1.00 0.00 C ATOM 0 H ALA A 74 3.100 19.304 9.165 1.00 0.00 H new ATOM 0 HA ALA A 74 3.219 22.107 10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.604 22.189 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.040 20.759 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.997 20.582 7.452 1.00 0.00 H new ATOM 1194 N TYR A 75 0.936 21.293 7.902 1.00 0.00 N ATOM 1195 CA TYR A 75 -0.210 21.851 7.128 1.00 0.00 C ATOM 1196 C TYR A 75 -1.476 21.883 8.003 1.00 0.00 C ATOM 1197 O TYR A 75 -2.481 22.458 7.629 1.00 0.00 O ATOM 1198 CB TYR A 75 -0.395 20.902 5.946 1.00 0.00 C ATOM 1199 CG TYR A 75 -1.458 21.451 5.025 1.00 0.00 C ATOM 1200 CD1 TYR A 75 -1.267 22.687 4.396 1.00 0.00 C ATOM 1201 CD2 TYR A 75 -2.633 20.725 4.800 1.00 0.00 C ATOM 1202 CE1 TYR A 75 -2.252 23.196 3.541 1.00 0.00 C ATOM 1203 CE2 TYR A 75 -3.619 21.235 3.946 1.00 0.00 C ATOM 1204 CZ TYR A 75 -3.427 22.471 3.317 1.00 0.00 C ATOM 1205 OH TYR A 75 -4.399 22.974 2.476 1.00 0.00 O ATOM 0 H TYR A 75 0.909 20.283 8.042 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.026 22.874 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.545 20.787 5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.682 19.912 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.360 23.248 4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.780 19.771 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.104 24.149 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.526 20.675 3.773 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.149 22.345 2.430 1.00 0.00 H new ATOM 1215 N ARG A 76 -1.429 21.278 9.173 1.00 0.00 N ATOM 1216 CA ARG A 76 -2.622 21.285 10.078 1.00 0.00 C ATOM 1217 C ARG A 76 -3.015 22.732 10.386 1.00 0.00 C ATOM 1218 O ARG A 76 -4.093 23.181 10.045 1.00 0.00 O ATOM 1219 CB ARG A 76 -2.172 20.565 11.351 1.00 0.00 C ATOM 1220 CG ARG A 76 -3.370 20.390 12.286 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.050 19.320 13.333 1.00 0.00 C ATOM 1222 NE ARG A 76 -3.830 19.718 14.538 1.00 0.00 N ATOM 1223 CZ ARG A 76 -3.238 19.815 15.697 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -2.144 20.517 15.814 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -3.739 19.210 16.738 1.00 0.00 N ATOM 0 H ARG A 76 -0.615 20.782 9.536 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.489 20.797 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.747 19.593 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.389 21.137 11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.603 21.335 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.252 20.102 11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.339 18.328 12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.982 19.284 13.548 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.828 19.915 14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.752 20.990 15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.681 20.593 16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.594 18.661 16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.276 19.286 17.644 1.00 0.00 H new ATOM 1239 N ALA A 77 -2.129 23.467 11.005 1.00 0.00 N ATOM 1240 CA ALA A 77 -2.415 24.895 11.318 1.00 0.00 C ATOM 1241 C ALA A 77 -1.731 25.778 10.270 1.00 0.00 C ATOM 1242 O ALA A 77 -0.747 26.436 10.541 1.00 0.00 O ATOM 1243 CB ALA A 77 -1.813 25.131 12.704 1.00 0.00 C ATOM 0 H ALA A 77 -1.213 23.135 11.309 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.479 25.130 11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.984 26.165 13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.284 24.462 13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.741 24.935 12.673 1.00 0.00 H new ATOM 1249 N LYS A 78 -2.244 25.777 9.061 1.00 0.00 N ATOM 1250 CA LYS A 78 -1.633 26.594 7.961 1.00 0.00 C ATOM 1251 C LYS A 78 -0.150 26.242 7.793 1.00 0.00 C ATOM 1252 O LYS A 78 0.150 25.418 6.945 1.00 0.00 O ATOM 1253 CB LYS A 78 -1.791 28.059 8.386 1.00 0.00 C ATOM 1254 CG LYS A 78 -1.256 28.977 7.279 1.00 0.00 C ATOM 1255 CD LYS A 78 -0.416 30.098 7.896 1.00 0.00 C ATOM 1256 CE LYS A 78 0.999 29.581 8.173 1.00 0.00 C ATOM 1257 NZ LYS A 78 1.830 30.806 8.338 1.00 0.00 N ATOM 1258 OXT LYS A 78 0.657 26.803 8.515 1.00 0.00 O ATOM 0 H LYS A 78 -3.067 25.240 8.787 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.118 26.402 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.840 28.281 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.250 28.239 9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.652 28.402 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.085 29.401 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.377 30.952 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.876 30.445 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.025 28.962 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.362 28.965 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.815 30.534 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.792 31.372 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.464 31.369 9.132 1.00 0.00 H new TER 1272 LYS A 78