USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 28 LYS NZ :NH3+ -170:sc= -3.9! (180deg=-4.93!) USER MOD Set 1.2: A 39 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= -0.0238 (180deg=-0.0255) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= -0.0211 (180deg=-0.105) USER MOD Single : A 7 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -62:sc= 0.229 USER MOD Single : A 20 CYS SG : rot 180:sc= -3.19! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 162:sc=-0.00785 (180deg=-0.0848) USER MOD Single : A 29 SER OG : rot -97:sc= 0.196 USER MOD Single : A 31 HIS : no HE2:sc= -0.453 K(o=-0.45,f=-4.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.112 (180deg=-0.454) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.201 K(o=-0.2,f=-4.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.267 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.028) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.29 K(o=-3.3,f=-5.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0946) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.861 18.536 -2.040 1.00 0.00 N ATOM 2 CA MET A 1 -11.849 17.602 -1.429 1.00 0.00 C ATOM 3 C MET A 1 -11.123 16.457 -0.716 1.00 0.00 C ATOM 4 O MET A 1 -11.275 16.261 0.475 1.00 0.00 O ATOM 5 CB MET A 1 -12.670 17.067 -2.604 1.00 0.00 C ATOM 6 CG MET A 1 -14.086 16.736 -2.129 1.00 0.00 C ATOM 7 SD MET A 1 -15.201 16.676 -3.553 1.00 0.00 S ATOM 8 CE MET A 1 -16.753 16.784 -2.631 1.00 0.00 C ATOM 0 H1 MET A 1 -11.365 19.308 -2.521 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.251 18.931 -1.296 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.277 18.021 -2.730 1.00 0.00 H new ATOM 0 HA MET A 1 -12.476 18.093 -0.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.707 17.808 -3.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.196 16.176 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.092 15.778 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.428 17.488 -1.418 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.592 16.764 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.829 15.939 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.775 17.714 -2.063 1.00 0.00 H new ATOM 20 N LYS A 2 -10.337 15.701 -1.440 1.00 0.00 N ATOM 21 CA LYS A 2 -9.595 14.565 -0.815 1.00 0.00 C ATOM 22 C LYS A 2 -8.086 14.775 -0.959 1.00 0.00 C ATOM 23 O LYS A 2 -7.338 13.840 -1.173 1.00 0.00 O ATOM 24 CB LYS A 2 -10.039 13.327 -1.591 1.00 0.00 C ATOM 25 CG LYS A 2 -11.205 12.656 -0.861 1.00 0.00 C ATOM 26 CD LYS A 2 -12.522 13.299 -1.300 1.00 0.00 C ATOM 27 CE LYS A 2 -13.072 12.563 -2.522 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.530 13.636 -3.449 1.00 0.00 N ATOM 0 H LYS A 2 -10.177 15.822 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.802 14.474 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.341 13.607 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.208 12.629 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.219 11.588 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.080 12.758 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.245 13.262 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.363 14.351 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.306 11.942 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.894 11.902 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.905 13.207 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.276 14.196 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.729 14.255 -3.686 1.00 0.00 H new ATOM 42 N LYS A 3 -7.637 15.998 -0.840 1.00 0.00 N ATOM 43 CA LYS A 3 -6.181 16.289 -0.964 1.00 0.00 C ATOM 44 C LYS A 3 -5.896 17.730 -0.529 1.00 0.00 C ATOM 45 O LYS A 3 -6.449 18.670 -1.070 1.00 0.00 O ATOM 46 CB LYS A 3 -5.857 16.101 -2.447 1.00 0.00 C ATOM 47 CG LYS A 3 -4.351 15.889 -2.616 1.00 0.00 C ATOM 48 CD LYS A 3 -4.070 15.313 -4.005 1.00 0.00 C ATOM 49 CE LYS A 3 -2.559 15.166 -4.200 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.408 14.415 -5.477 1.00 0.00 N ATOM 0 H LYS A 3 -8.224 16.813 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.575 15.638 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.403 15.245 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.178 16.975 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.823 16.834 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.980 15.211 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.558 14.344 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.485 15.967 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.071 16.139 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.104 14.627 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.398 14.274 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.876 13.490 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.844 14.955 -6.251 1.00 0.00 H new ATOM 64 N LYS A 4 -5.046 17.904 0.450 1.00 0.00 N ATOM 65 CA LYS A 4 -4.728 19.282 0.933 1.00 0.00 C ATOM 66 C LYS A 4 -4.103 20.120 -0.194 1.00 0.00 C ATOM 67 O LYS A 4 -4.787 20.879 -0.855 1.00 0.00 O ATOM 68 CB LYS A 4 -3.744 19.089 2.093 1.00 0.00 C ATOM 69 CG LYS A 4 -4.514 18.698 3.356 1.00 0.00 C ATOM 70 CD LYS A 4 -3.643 18.955 4.586 1.00 0.00 C ATOM 71 CE LYS A 4 -2.526 17.910 4.649 1.00 0.00 C ATOM 72 NZ LYS A 4 -3.150 16.716 5.282 1.00 0.00 N ATOM 0 H LYS A 4 -4.558 17.152 0.936 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.621 19.819 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.018 18.316 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.184 20.008 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.437 19.274 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.797 17.646 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.216 19.957 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.250 18.909 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.148 17.677 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.681 18.271 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.761 15.852 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.947 16.718 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.179 16.742 5.134 1.00 0.00 H new ATOM 86 N ASP A 5 -2.812 20.002 -0.413 1.00 0.00 N ATOM 87 CA ASP A 5 -2.160 20.809 -1.489 1.00 0.00 C ATOM 88 C ASP A 5 -1.137 19.971 -2.275 1.00 0.00 C ATOM 89 O ASP A 5 -0.725 18.920 -1.823 1.00 0.00 O ATOM 90 CB ASP A 5 -1.458 21.950 -0.752 1.00 0.00 C ATOM 91 CG ASP A 5 -2.428 23.119 -0.580 1.00 0.00 C ATOM 92 OD1 ASP A 5 -2.836 23.678 -1.585 1.00 0.00 O ATOM 93 OD2 ASP A 5 -2.748 23.437 0.554 1.00 0.00 O ATOM 0 H ASP A 5 -2.188 19.384 0.106 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.887 21.166 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.108 21.607 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.579 22.272 -1.311 1.00 0.00 H new ATOM 98 N PRO A 6 -0.753 20.470 -3.434 1.00 0.00 N ATOM 99 CA PRO A 6 0.239 19.754 -4.284 1.00 0.00 C ATOM 100 C PRO A 6 1.654 19.843 -3.702 1.00 0.00 C ATOM 101 O PRO A 6 2.559 19.168 -4.155 1.00 0.00 O ATOM 102 CB PRO A 6 0.180 20.501 -5.607 1.00 0.00 C ATOM 103 CG PRO A 6 -0.320 21.867 -5.272 1.00 0.00 C ATOM 104 CD PRO A 6 -1.197 21.730 -4.059 1.00 0.00 C ATOM 0 HA PRO A 6 0.013 18.691 -4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.163 20.547 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.486 20.001 -6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.511 22.543 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.880 22.288 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.075 22.575 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.251 21.690 -4.332 1.00 0.00 H new ATOM 112 N ASN A 7 1.848 20.654 -2.698 1.00 0.00 N ATOM 113 CA ASN A 7 3.197 20.778 -2.072 1.00 0.00 C ATOM 114 C ASN A 7 3.187 20.124 -0.687 1.00 0.00 C ATOM 115 O ASN A 7 4.210 19.692 -0.188 1.00 0.00 O ATOM 116 CB ASN A 7 3.443 22.283 -1.953 1.00 0.00 C ATOM 117 CG ASN A 7 4.074 22.801 -3.246 1.00 0.00 C ATOM 118 OD1 ASN A 7 5.217 23.215 -3.255 1.00 0.00 O ATOM 119 ND2 ASN A 7 3.374 22.797 -4.347 1.00 0.00 N ATOM 0 H ASN A 7 1.125 21.241 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 7 3.975 20.286 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.504 22.802 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.099 22.489 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.786 23.141 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.415 22.450 -4.340 1.00 0.00 H new ATOM 126 N ALA A 8 2.035 20.047 -0.068 1.00 0.00 N ATOM 127 CA ALA A 8 1.945 19.418 1.284 1.00 0.00 C ATOM 128 C ALA A 8 1.540 17.940 1.152 1.00 0.00 C ATOM 129 O ALA A 8 0.717 17.608 0.323 1.00 0.00 O ATOM 130 CB ALA A 8 0.859 20.208 2.016 1.00 0.00 C ATOM 0 H ALA A 8 1.152 20.394 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 8 2.895 19.442 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.732 19.806 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.151 21.256 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.081 20.125 1.471 1.00 0.00 H new ATOM 136 N PRO A 9 2.129 17.089 1.967 1.00 0.00 N ATOM 137 CA PRO A 9 1.798 15.645 1.902 1.00 0.00 C ATOM 138 C PRO A 9 0.427 15.380 2.532 1.00 0.00 C ATOM 139 O PRO A 9 0.185 15.721 3.675 1.00 0.00 O ATOM 140 CB PRO A 9 2.907 14.980 2.712 1.00 0.00 C ATOM 141 CG PRO A 9 3.397 16.036 3.652 1.00 0.00 C ATOM 142 CD PRO A 9 3.137 17.373 3.005 1.00 0.00 C ATOM 0 HA PRO A 9 1.741 15.267 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.531 14.113 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.709 14.627 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.881 15.966 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.461 15.907 3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.768 18.100 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.047 17.788 2.572 1.00 0.00 H new ATOM 150 N LYS A 10 -0.467 14.768 1.796 1.00 0.00 N ATOM 151 CA LYS A 10 -1.821 14.469 2.344 1.00 0.00 C ATOM 152 C LYS A 10 -1.719 13.362 3.401 1.00 0.00 C ATOM 153 O LYS A 10 -0.681 13.174 4.006 1.00 0.00 O ATOM 154 CB LYS A 10 -2.656 14.018 1.135 1.00 0.00 C ATOM 155 CG LYS A 10 -2.052 12.748 0.521 1.00 0.00 C ATOM 156 CD LYS A 10 -2.159 12.811 -1.005 1.00 0.00 C ATOM 157 CE LYS A 10 -1.808 11.446 -1.599 1.00 0.00 C ATOM 158 NZ LYS A 10 -1.219 11.747 -2.933 1.00 0.00 N ATOM 0 H LYS A 10 -0.314 14.462 0.835 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.276 15.329 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.684 13.829 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.688 14.812 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.008 12.650 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.574 11.868 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.169 13.098 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.485 13.573 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.100 10.910 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.693 10.816 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.952 10.859 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.918 12.251 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.375 12.342 -2.813 1.00 0.00 H new ATOM 172 N ARG A 11 -2.782 12.627 3.624 1.00 0.00 N ATOM 173 CA ARG A 11 -2.736 11.527 4.640 1.00 0.00 C ATOM 174 C ARG A 11 -1.645 10.509 4.258 1.00 0.00 C ATOM 175 O ARG A 11 -1.468 10.219 3.091 1.00 0.00 O ATOM 176 CB ARG A 11 -4.125 10.868 4.599 1.00 0.00 C ATOM 177 CG ARG A 11 -4.817 11.032 5.955 1.00 0.00 C ATOM 178 CD ARG A 11 -5.182 12.503 6.167 1.00 0.00 C ATOM 179 NE ARG A 11 -5.169 12.692 7.644 1.00 0.00 N ATOM 180 CZ ARG A 11 -5.926 13.603 8.193 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.186 13.689 7.864 1.00 0.00 N ATOM 182 NH2 ARG A 11 -5.423 14.428 9.069 1.00 0.00 N ATOM 0 H ARG A 11 -3.677 12.740 3.148 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.500 11.899 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.730 11.322 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.029 9.810 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.714 10.414 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.159 10.691 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.465 13.162 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.162 12.731 5.748 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.568 12.109 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.579 13.045 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.778 14.401 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.438 14.362 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.015 15.140 9.498 1.00 0.00 H new ATOM 196 N PRO A 12 -0.941 9.995 5.246 1.00 0.00 N ATOM 197 CA PRO A 12 0.131 9.011 4.962 1.00 0.00 C ATOM 198 C PRO A 12 -0.480 7.647 4.589 1.00 0.00 C ATOM 199 O PRO A 12 -1.377 7.180 5.262 1.00 0.00 O ATOM 200 CB PRO A 12 0.897 8.918 6.276 1.00 0.00 C ATOM 201 CG PRO A 12 -0.081 9.324 7.330 1.00 0.00 C ATOM 202 CD PRO A 12 -1.065 10.268 6.688 1.00 0.00 C ATOM 0 HA PRO A 12 0.767 9.302 4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.263 7.906 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.767 9.575 6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.594 8.452 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.430 9.809 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.080 10.086 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.828 11.307 6.918 1.00 0.00 H new ATOM 210 N PRO A 13 0.019 7.043 3.528 1.00 0.00 N ATOM 211 CA PRO A 13 -0.510 5.728 3.102 1.00 0.00 C ATOM 212 C PRO A 13 0.116 4.616 3.947 1.00 0.00 C ATOM 213 O PRO A 13 1.004 4.861 4.742 1.00 0.00 O ATOM 214 CB PRO A 13 -0.075 5.621 1.645 1.00 0.00 C ATOM 215 CG PRO A 13 1.133 6.498 1.519 1.00 0.00 C ATOM 216 CD PRO A 13 1.097 7.508 2.642 1.00 0.00 C ATOM 0 HA PRO A 13 -1.589 5.634 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.160 4.590 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.869 5.949 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.044 5.902 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.138 7.003 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.051 7.550 3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.896 8.511 2.266 1.00 0.00 H new ATOM 224 N SER A 14 -0.339 3.397 3.784 1.00 0.00 N ATOM 225 CA SER A 14 0.233 2.270 4.584 1.00 0.00 C ATOM 226 C SER A 14 -0.277 0.919 4.067 1.00 0.00 C ATOM 227 O SER A 14 -0.958 0.195 4.768 1.00 0.00 O ATOM 228 CB SER A 14 -0.249 2.511 6.018 1.00 0.00 C ATOM 229 OG SER A 14 0.291 1.508 6.869 1.00 0.00 O ATOM 0 H SER A 14 -1.080 3.135 3.133 1.00 0.00 H new ATOM 0 HA SER A 14 1.320 2.238 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.062 3.499 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.338 2.489 6.057 1.00 0.00 H new ATOM 0 HG SER A 14 -0.033 0.628 6.584 1.00 0.00 H new ATOM 235 N ALA A 15 0.038 0.572 2.837 1.00 0.00 N ATOM 236 CA ALA A 15 -0.424 -0.730 2.241 1.00 0.00 C ATOM 237 C ALA A 15 -1.933 -0.701 1.999 1.00 0.00 C ATOM 238 O ALA A 15 -2.373 -0.561 0.874 1.00 0.00 O ATOM 239 CB ALA A 15 -0.037 -1.849 3.224 1.00 0.00 C ATOM 0 H ALA A 15 0.604 1.145 2.211 1.00 0.00 H new ATOM 0 HA ALA A 15 0.049 -0.903 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.357 -2.811 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.044 -1.855 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.524 -1.675 4.184 1.00 0.00 H new ATOM 245 N PHE A 16 -2.733 -0.845 3.031 1.00 0.00 N ATOM 246 CA PHE A 16 -4.228 -0.837 2.853 1.00 0.00 C ATOM 247 C PHE A 16 -4.678 0.340 1.977 1.00 0.00 C ATOM 248 O PHE A 16 -5.419 0.169 1.028 1.00 0.00 O ATOM 249 CB PHE A 16 -4.790 -0.680 4.266 1.00 0.00 C ATOM 250 CG PHE A 16 -6.249 -1.072 4.275 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.639 -2.333 3.810 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.212 -0.173 4.749 1.00 0.00 C ATOM 253 CE1 PHE A 16 -7.990 -2.696 3.818 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.565 -0.536 4.756 1.00 0.00 C ATOM 255 CZ PHE A 16 -8.953 -1.798 4.290 1.00 0.00 C ATOM 0 H PHE A 16 -2.417 -0.968 3.993 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.576 -1.744 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.231 -1.304 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.678 0.351 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.896 -3.027 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.912 0.800 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.290 -3.670 3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.308 0.157 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.996 -2.078 4.295 1.00 0.00 H new ATOM 265 N PHE A 17 -4.230 1.527 2.293 1.00 0.00 N ATOM 266 CA PHE A 17 -4.622 2.721 1.482 1.00 0.00 C ATOM 267 C PHE A 17 -4.195 2.530 0.023 1.00 0.00 C ATOM 268 O PHE A 17 -4.876 2.956 -0.891 1.00 0.00 O ATOM 269 CB PHE A 17 -3.873 3.898 2.109 1.00 0.00 C ATOM 270 CG PHE A 17 -4.715 5.145 2.002 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.785 5.346 2.884 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.426 6.103 1.023 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.566 6.503 2.784 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.207 7.261 0.924 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.278 7.460 1.805 1.00 0.00 C ATOM 0 H PHE A 17 -3.609 1.723 3.078 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.700 2.882 1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.650 3.685 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.919 4.046 1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.007 4.608 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.600 5.949 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.392 6.657 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.984 8.000 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.881 8.352 1.728 1.00 0.00 H new ATOM 285 N LEU A 18 -3.068 1.900 -0.199 1.00 0.00 N ATOM 286 CA LEU A 18 -2.583 1.685 -1.599 1.00 0.00 C ATOM 287 C LEU A 18 -3.406 0.589 -2.282 1.00 0.00 C ATOM 288 O LEU A 18 -3.655 0.641 -3.472 1.00 0.00 O ATOM 289 CB LEU A 18 -1.115 1.232 -1.479 1.00 0.00 C ATOM 290 CG LEU A 18 -0.302 2.163 -0.558 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.173 1.765 -0.617 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.443 3.622 -1.017 1.00 0.00 C ATOM 0 H LEU A 18 -2.461 1.524 0.530 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.679 2.593 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.079 0.214 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.659 1.211 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.678 2.070 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.753 2.420 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.285 0.733 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.534 1.857 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.136 4.268 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.073 3.720 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.492 3.915 -0.982 1.00 0.00 H new ATOM 304 N PHE A 19 -3.816 -0.406 -1.539 1.00 0.00 N ATOM 305 CA PHE A 19 -4.613 -1.521 -2.139 1.00 0.00 C ATOM 306 C PHE A 19 -6.046 -1.065 -2.428 1.00 0.00 C ATOM 307 O PHE A 19 -6.531 -1.188 -3.536 1.00 0.00 O ATOM 308 CB PHE A 19 -4.606 -2.628 -1.081 1.00 0.00 C ATOM 309 CG PHE A 19 -5.303 -3.853 -1.621 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.691 -3.985 -1.490 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.561 -4.861 -2.251 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.336 -5.123 -1.987 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.207 -5.998 -2.747 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.594 -6.130 -2.616 1.00 0.00 C ATOM 0 H PHE A 19 -3.633 -0.496 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.194 -1.857 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.581 -2.874 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.106 -2.283 -0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.264 -3.208 -1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.491 -4.760 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.406 -5.225 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.635 -6.775 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.092 -7.008 -3.000 1.00 0.00 H new ATOM 324 N CYS A 20 -6.724 -0.545 -1.437 1.00 0.00 N ATOM 325 CA CYS A 20 -8.133 -0.083 -1.647 1.00 0.00 C ATOM 326 C CYS A 20 -8.186 1.003 -2.726 1.00 0.00 C ATOM 327 O CYS A 20 -8.990 0.945 -3.636 1.00 0.00 O ATOM 328 CB CYS A 20 -8.576 0.483 -0.296 1.00 0.00 C ATOM 329 SG CYS A 20 -10.360 0.250 -0.101 1.00 0.00 S ATOM 0 H CYS A 20 -6.364 -0.420 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.781 -0.893 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.043 -0.017 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.328 1.543 -0.234 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.737 0.728 1.047 1.00 0.00 H new ATOM 335 N SER A 21 -7.338 1.994 -2.625 1.00 0.00 N ATOM 336 CA SER A 21 -7.337 3.095 -3.640 1.00 0.00 C ATOM 337 C SER A 21 -7.088 2.535 -5.046 1.00 0.00 C ATOM 338 O SER A 21 -7.485 3.127 -6.033 1.00 0.00 O ATOM 339 CB SER A 21 -6.195 4.023 -3.226 1.00 0.00 C ATOM 340 OG SER A 21 -6.192 5.169 -4.067 1.00 0.00 O ATOM 0 H SER A 21 -6.645 2.090 -1.883 1.00 0.00 H new ATOM 0 HA SER A 21 -8.295 3.615 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.314 4.322 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.241 3.500 -3.301 1.00 0.00 H new ATOM 0 HG SER A 21 -5.462 5.767 -3.803 1.00 0.00 H new ATOM 346 N GLU A 22 -6.425 1.411 -5.143 1.00 0.00 N ATOM 347 CA GLU A 22 -6.137 0.822 -6.486 1.00 0.00 C ATOM 348 C GLU A 22 -7.136 -0.291 -6.830 1.00 0.00 C ATOM 349 O GLU A 22 -7.324 -0.620 -7.987 1.00 0.00 O ATOM 350 CB GLU A 22 -4.726 0.250 -6.368 1.00 0.00 C ATOM 351 CG GLU A 22 -3.700 1.346 -6.663 1.00 0.00 C ATOM 352 CD GLU A 22 -3.821 1.781 -8.125 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.284 1.089 -8.974 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.447 2.799 -8.371 1.00 0.00 O ATOM 0 H GLU A 22 -6.071 0.876 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.222 1.566 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.568 -0.150 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.599 -0.578 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.864 2.199 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.693 0.979 -6.464 1.00 0.00 H new ATOM 361 N TYR A 23 -7.767 -0.878 -5.842 1.00 0.00 N ATOM 362 CA TYR A 23 -8.743 -1.978 -6.124 1.00 0.00 C ATOM 363 C TYR A 23 -10.164 -1.423 -6.263 1.00 0.00 C ATOM 364 O TYR A 23 -10.944 -1.903 -7.063 1.00 0.00 O ATOM 365 CB TYR A 23 -8.648 -2.915 -4.921 1.00 0.00 C ATOM 366 CG TYR A 23 -7.604 -3.974 -5.194 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.257 -3.614 -5.313 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.986 -5.314 -5.332 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.291 -4.594 -5.569 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.020 -6.294 -5.588 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.672 -5.935 -5.707 1.00 0.00 C ATOM 372 OH TYR A 23 -4.719 -6.901 -5.960 1.00 0.00 O ATOM 0 H TYR A 23 -7.649 -0.644 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.517 -2.489 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.385 -2.351 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.615 -3.381 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.963 -2.580 -5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.026 -5.591 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.251 -4.316 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.315 -7.328 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.152 -7.778 -6.026 1.00 0.00 H new ATOM 382 N ARG A 24 -10.510 -0.423 -5.487 1.00 0.00 N ATOM 383 CA ARG A 24 -11.887 0.164 -5.561 1.00 0.00 C ATOM 384 C ARG A 24 -12.323 0.445 -7.011 1.00 0.00 C ATOM 385 O ARG A 24 -13.367 -0.018 -7.408 1.00 0.00 O ATOM 386 CB ARG A 24 -11.826 1.464 -4.767 1.00 0.00 C ATOM 387 CG ARG A 24 -11.768 1.150 -3.272 1.00 0.00 C ATOM 388 CD ARG A 24 -11.307 2.391 -2.505 1.00 0.00 C ATOM 389 NE ARG A 24 -12.151 2.421 -1.279 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.385 3.554 -0.676 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.953 4.534 -1.324 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.052 3.706 0.576 1.00 0.00 N ATOM 0 H ARG A 24 -9.894 0.014 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.620 -0.534 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.950 2.041 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.700 2.077 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.750 0.835 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.083 0.322 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.248 2.329 -2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.441 3.295 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.546 1.556 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.214 4.414 -2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.136 5.419 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.609 2.939 1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.234 4.591 1.048 1.00 0.00 H new ATOM 406 N PRO A 25 -11.522 1.182 -7.767 1.00 0.00 N ATOM 407 CA PRO A 25 -11.892 1.488 -9.182 1.00 0.00 C ATOM 408 C PRO A 25 -12.022 0.193 -9.980 1.00 0.00 C ATOM 409 O PRO A 25 -12.779 0.115 -10.930 1.00 0.00 O ATOM 410 CB PRO A 25 -10.741 2.365 -9.676 1.00 0.00 C ATOM 411 CG PRO A 25 -9.604 2.027 -8.775 1.00 0.00 C ATOM 412 CD PRO A 25 -10.218 1.777 -7.423 1.00 0.00 C ATOM 0 HA PRO A 25 -12.853 1.991 -9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.499 2.153 -10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.994 3.424 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.070 1.146 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.882 2.842 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.611 1.102 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.331 2.699 -6.852 1.00 0.00 H new ATOM 420 N LYS A 26 -11.322 -0.835 -9.574 1.00 0.00 N ATOM 421 CA LYS A 26 -11.442 -2.143 -10.278 1.00 0.00 C ATOM 422 C LYS A 26 -12.822 -2.714 -9.972 1.00 0.00 C ATOM 423 O LYS A 26 -13.541 -3.159 -10.846 1.00 0.00 O ATOM 424 CB LYS A 26 -10.366 -3.031 -9.662 1.00 0.00 C ATOM 425 CG LYS A 26 -10.088 -4.217 -10.587 1.00 0.00 C ATOM 426 CD LYS A 26 -11.125 -5.314 -10.335 1.00 0.00 C ATOM 427 CE LYS A 26 -10.692 -6.598 -11.045 1.00 0.00 C ATOM 428 NZ LYS A 26 -9.729 -7.247 -10.111 1.00 0.00 N ATOM 0 H LYS A 26 -10.674 -0.824 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.322 -2.064 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.453 -2.457 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.690 -3.388 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.127 -3.897 -11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.084 -4.603 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.227 -5.494 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.102 -4.996 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.546 -7.246 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.225 -6.380 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.620 -8.249 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.807 -6.771 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.087 -7.174 -9.137 1.00 0.00 H new ATOM 442 N ILE A 27 -13.188 -2.690 -8.717 1.00 0.00 N ATOM 443 CA ILE A 27 -14.523 -3.212 -8.292 1.00 0.00 C ATOM 444 C ILE A 27 -15.642 -2.503 -9.063 1.00 0.00 C ATOM 445 O ILE A 27 -16.745 -2.996 -9.142 1.00 0.00 O ATOM 446 CB ILE A 27 -14.635 -2.854 -6.792 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.536 -3.559 -5.981 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.011 -3.262 -6.245 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.697 -5.075 -6.074 1.00 0.00 C ATOM 0 H ILE A 27 -12.612 -2.326 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.616 -4.282 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.513 -1.775 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.555 -3.267 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.586 -3.245 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.074 -3.003 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.792 -2.736 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.146 -4.337 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.912 -5.561 -5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.671 -5.362 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.624 -5.385 -7.116 1.00 0.00 H new ATOM 461 N LYS A 28 -15.384 -1.327 -9.576 1.00 0.00 N ATOM 462 CA LYS A 28 -16.469 -0.567 -10.273 1.00 0.00 C ATOM 463 C LYS A 28 -16.631 -1.031 -11.724 1.00 0.00 C ATOM 464 O LYS A 28 -17.714 -0.963 -12.277 1.00 0.00 O ATOM 465 CB LYS A 28 -16.068 0.929 -10.218 1.00 0.00 C ATOM 466 CG LYS A 28 -15.388 1.331 -8.888 1.00 0.00 C ATOM 467 CD LYS A 28 -16.042 0.682 -7.649 1.00 0.00 C ATOM 468 CE LYS A 28 -17.519 1.072 -7.569 1.00 0.00 C ATOM 469 NZ LYS A 28 -18.060 0.269 -6.440 1.00 0.00 N ATOM 0 H LYS A 28 -14.477 -0.862 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.429 -0.736 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.392 1.147 -11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.957 1.542 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.336 1.048 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.423 2.415 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.947 -0.402 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.524 1.002 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.637 2.140 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.039 0.847 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.097 0.347 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.789 -0.728 -6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.672 0.626 -5.543 1.00 0.00 H new ATOM 483 N SER A 29 -15.578 -1.494 -12.350 1.00 0.00 N ATOM 484 CA SER A 29 -15.695 -1.949 -13.771 1.00 0.00 C ATOM 485 C SER A 29 -16.448 -3.279 -13.839 1.00 0.00 C ATOM 486 O SER A 29 -17.176 -3.543 -14.776 1.00 0.00 O ATOM 487 CB SER A 29 -14.256 -2.123 -14.258 1.00 0.00 C ATOM 488 OG SER A 29 -14.254 -2.276 -15.672 1.00 0.00 O ATOM 0 H SER A 29 -14.647 -1.577 -11.942 1.00 0.00 H new ATOM 0 HA SER A 29 -16.247 -1.238 -14.385 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.656 -1.258 -13.973 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.803 -2.995 -13.786 1.00 0.00 H new ATOM 0 HG SER A 29 -14.210 -3.229 -15.898 1.00 0.00 H new ATOM 494 N GLU A 30 -16.261 -4.119 -12.857 1.00 0.00 N ATOM 495 CA GLU A 30 -16.943 -5.445 -12.852 1.00 0.00 C ATOM 496 C GLU A 30 -18.212 -5.414 -11.989 1.00 0.00 C ATOM 497 O GLU A 30 -18.955 -6.378 -11.943 1.00 0.00 O ATOM 498 CB GLU A 30 -15.911 -6.396 -12.246 1.00 0.00 C ATOM 499 CG GLU A 30 -14.835 -6.743 -13.282 1.00 0.00 C ATOM 500 CD GLU A 30 -13.978 -5.516 -13.602 1.00 0.00 C ATOM 501 OE1 GLU A 30 -13.243 -5.088 -12.729 1.00 0.00 O ATOM 502 OE2 GLU A 30 -14.074 -5.027 -14.716 1.00 0.00 O ATOM 0 H GLU A 30 -15.660 -3.942 -12.052 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.262 -5.745 -13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.450 -5.935 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.402 -7.306 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.203 -7.546 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.306 -7.112 -14.193 1.00 0.00 H new ATOM 509 N HIS A 31 -18.479 -4.317 -11.323 1.00 0.00 N ATOM 510 CA HIS A 31 -19.713 -4.230 -10.487 1.00 0.00 C ATOM 511 C HIS A 31 -20.322 -2.829 -10.652 1.00 0.00 C ATOM 512 O HIS A 31 -19.898 -1.896 -9.999 1.00 0.00 O ATOM 513 CB HIS A 31 -19.282 -4.467 -9.029 1.00 0.00 C ATOM 514 CG HIS A 31 -18.411 -5.692 -8.919 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.047 -5.610 -8.690 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.697 -7.033 -8.996 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.568 -6.864 -8.635 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.532 -7.771 -8.816 1.00 0.00 N ATOM 0 H HIS A 31 -17.896 -3.480 -11.323 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.461 -4.966 -10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.740 -3.596 -8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.164 -4.585 -8.399 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.505 -4.753 -8.583 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.678 -7.451 -9.170 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.530 -7.109 -8.465 1.00 0.00 H new ATOM 526 N PRO A 32 -21.290 -2.716 -11.535 1.00 0.00 N ATOM 527 CA PRO A 32 -21.930 -1.403 -11.777 1.00 0.00 C ATOM 528 C PRO A 32 -22.872 -1.042 -10.628 1.00 0.00 C ATOM 529 O PRO A 32 -22.828 0.057 -10.106 1.00 0.00 O ATOM 530 CB PRO A 32 -22.682 -1.604 -13.090 1.00 0.00 C ATOM 531 CG PRO A 32 -22.919 -3.079 -13.201 1.00 0.00 C ATOM 532 CD PRO A 32 -21.874 -3.776 -12.372 1.00 0.00 C ATOM 0 HA PRO A 32 -21.218 -0.580 -11.835 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.624 -1.055 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.099 -1.237 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.919 -3.333 -12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.857 -3.399 -14.241 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.314 -4.564 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.118 -4.245 -13.001 1.00 0.00 H new ATOM 540 N GLY A 33 -23.706 -1.958 -10.218 1.00 0.00 N ATOM 541 CA GLY A 33 -24.637 -1.674 -9.085 1.00 0.00 C ATOM 542 C GLY A 33 -23.826 -1.415 -7.804 1.00 0.00 C ATOM 543 O GLY A 33 -24.311 -0.818 -6.865 1.00 0.00 O ATOM 0 H GLY A 33 -23.784 -2.893 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.255 -0.807 -9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.312 -2.516 -8.936 1.00 0.00 H new ATOM 547 N LEU A 34 -22.593 -1.868 -7.766 1.00 0.00 N ATOM 548 CA LEU A 34 -21.718 -1.670 -6.554 1.00 0.00 C ATOM 549 C LEU A 34 -21.750 -0.216 -6.062 1.00 0.00 C ATOM 550 O LEU A 34 -20.974 0.613 -6.501 1.00 0.00 O ATOM 551 CB LEU A 34 -20.303 -2.026 -7.050 1.00 0.00 C ATOM 552 CG LEU A 34 -19.510 -2.845 -6.014 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.174 -1.978 -4.799 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.311 -4.073 -5.567 1.00 0.00 C ATOM 0 H LEU A 34 -22.147 -2.373 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.049 -2.280 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.377 -2.593 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.759 -1.109 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.585 -3.181 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.614 -2.569 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.573 -1.126 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.096 -1.621 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.733 -4.638 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.250 -3.751 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.520 -4.705 -6.430 1.00 0.00 H new ATOM 566 N SER A 35 -22.632 0.091 -5.146 1.00 0.00 N ATOM 567 CA SER A 35 -22.706 1.485 -4.612 1.00 0.00 C ATOM 568 C SER A 35 -21.433 1.797 -3.824 1.00 0.00 C ATOM 569 O SER A 35 -20.546 0.971 -3.717 1.00 0.00 O ATOM 570 CB SER A 35 -23.928 1.501 -3.692 1.00 0.00 C ATOM 571 OG SER A 35 -25.087 1.170 -4.445 1.00 0.00 O ATOM 0 H SER A 35 -23.304 -0.563 -4.745 1.00 0.00 H new ATOM 0 HA SER A 35 -22.792 2.232 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.794 0.789 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.044 2.486 -3.239 1.00 0.00 H new ATOM 0 HG SER A 35 -25.872 1.178 -3.858 1.00 0.00 H new ATOM 577 N ILE A 36 -21.334 2.980 -3.270 1.00 0.00 N ATOM 578 CA ILE A 36 -20.111 3.342 -2.485 1.00 0.00 C ATOM 579 C ILE A 36 -19.954 2.386 -1.295 1.00 0.00 C ATOM 580 O ILE A 36 -18.930 1.752 -1.127 1.00 0.00 O ATOM 581 CB ILE A 36 -20.351 4.787 -2.003 1.00 0.00 C ATOM 582 CG1 ILE A 36 -20.202 5.758 -3.186 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.348 5.162 -0.897 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.787 5.670 -3.777 1.00 0.00 C ATOM 0 H ILE A 36 -22.045 3.710 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.199 3.266 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.360 4.856 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -20.939 5.521 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -20.402 6.777 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.533 6.185 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.467 4.484 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.332 5.083 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.698 6.363 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -18.056 5.930 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.601 4.654 -4.127 1.00 0.00 H new ATOM 596 N GLY A 37 -20.961 2.301 -0.459 1.00 0.00 N ATOM 597 CA GLY A 37 -20.890 1.411 0.743 1.00 0.00 C ATOM 598 C GLY A 37 -20.429 0.007 0.341 1.00 0.00 C ATOM 599 O GLY A 37 -19.581 -0.577 0.983 1.00 0.00 O ATOM 0 H GLY A 37 -21.837 2.815 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.200 1.832 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.868 1.357 1.221 1.00 0.00 H new ATOM 603 N ASP A 38 -20.954 -0.515 -0.736 1.00 0.00 N ATOM 604 CA ASP A 38 -20.529 -1.872 -1.195 1.00 0.00 C ATOM 605 C ASP A 38 -19.035 -1.869 -1.523 1.00 0.00 C ATOM 606 O ASP A 38 -18.339 -2.817 -1.263 1.00 0.00 O ATOM 607 CB ASP A 38 -21.349 -2.145 -2.459 1.00 0.00 C ATOM 608 CG ASP A 38 -22.817 -2.347 -2.081 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.105 -3.311 -1.391 1.00 0.00 O ATOM 610 OD2 ASP A 38 -23.630 -1.534 -2.489 1.00 0.00 O ATOM 0 H ASP A 38 -21.658 -0.061 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.692 -2.634 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.253 -1.311 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -20.968 -3.030 -2.968 1.00 0.00 H new ATOM 615 N THR A 39 -18.538 -0.793 -2.064 1.00 0.00 N ATOM 616 CA THR A 39 -17.082 -0.723 -2.400 1.00 0.00 C ATOM 617 C THR A 39 -16.226 -0.903 -1.145 1.00 0.00 C ATOM 618 O THR A 39 -15.175 -1.514 -1.187 1.00 0.00 O ATOM 619 CB THR A 39 -16.862 0.667 -2.991 1.00 0.00 C ATOM 620 OG1 THR A 39 -17.868 0.937 -3.956 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.483 0.715 -3.650 1.00 0.00 C ATOM 0 H THR A 39 -19.075 0.044 -2.290 1.00 0.00 H new ATOM 0 HA THR A 39 -16.797 -1.512 -3.096 1.00 0.00 H new ATOM 0 HB THR A 39 -16.916 1.418 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.668 1.282 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.317 1.705 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.716 0.507 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.432 -0.033 -4.441 1.00 0.00 H new ATOM 629 N ALA A 40 -16.667 -0.373 -0.034 1.00 0.00 N ATOM 630 CA ALA A 40 -15.876 -0.506 1.227 1.00 0.00 C ATOM 631 C ALA A 40 -16.055 -1.905 1.823 1.00 0.00 C ATOM 632 O ALA A 40 -15.092 -2.596 2.100 1.00 0.00 O ATOM 633 CB ALA A 40 -16.446 0.554 2.170 1.00 0.00 C ATOM 0 H ALA A 40 -17.540 0.146 0.055 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.808 -0.368 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.915 0.519 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.325 1.541 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.505 0.359 2.339 1.00 0.00 H new ATOM 639 N LYS A 41 -17.279 -2.316 2.037 1.00 0.00 N ATOM 640 CA LYS A 41 -17.525 -3.665 2.633 1.00 0.00 C ATOM 641 C LYS A 41 -17.109 -4.790 1.670 1.00 0.00 C ATOM 642 O LYS A 41 -16.741 -5.867 2.105 1.00 0.00 O ATOM 643 CB LYS A 41 -19.029 -3.718 2.937 1.00 0.00 C ATOM 644 CG LYS A 41 -19.834 -3.615 1.640 1.00 0.00 C ATOM 645 CD LYS A 41 -21.316 -3.388 1.965 1.00 0.00 C ATOM 646 CE LYS A 41 -21.502 -2.057 2.710 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.800 -2.440 4.119 1.00 0.00 N ATOM 0 H LYS A 41 -18.118 -1.777 1.825 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.931 -3.814 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.271 -4.648 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.301 -2.903 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.456 -2.794 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.716 -4.527 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.900 -3.382 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.691 -4.209 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.604 -1.443 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.316 -1.474 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.512 -1.670 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.820 -2.613 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.276 -3.305 4.362 1.00 0.00 H new ATOM 661 N LYS A 42 -17.154 -4.564 0.375 1.00 0.00 N ATOM 662 CA LYS A 42 -16.748 -5.639 -0.592 1.00 0.00 C ATOM 663 C LYS A 42 -15.219 -5.689 -0.747 1.00 0.00 C ATOM 664 O LYS A 42 -14.696 -6.522 -1.463 1.00 0.00 O ATOM 665 CB LYS A 42 -17.398 -5.242 -1.924 1.00 0.00 C ATOM 666 CG LYS A 42 -17.485 -6.450 -2.853 1.00 0.00 C ATOM 667 CD LYS A 42 -18.593 -7.386 -2.362 1.00 0.00 C ATOM 668 CE LYS A 42 -17.974 -8.551 -1.584 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.303 -9.771 -2.376 1.00 0.00 N ATOM 0 H LYS A 42 -17.452 -3.687 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.063 -6.626 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.395 -4.841 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.817 -4.451 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.693 -6.125 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.531 -6.977 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.289 -6.840 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.165 -7.764 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.896 -8.427 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.385 -8.613 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.910 -10.609 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.336 -9.868 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.893 -9.688 -3.328 1.00 0.00 H new ATOM 683 N LEU A 43 -14.499 -4.810 -0.087 1.00 0.00 N ATOM 684 CA LEU A 43 -13.011 -4.816 -0.206 1.00 0.00 C ATOM 685 C LEU A 43 -12.381 -5.367 1.076 1.00 0.00 C ATOM 686 O LEU A 43 -11.353 -6.018 1.043 1.00 0.00 O ATOM 687 CB LEU A 43 -12.622 -3.351 -0.405 1.00 0.00 C ATOM 688 CG LEU A 43 -12.826 -2.959 -1.869 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.557 -1.465 -2.038 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.854 -3.751 -2.750 1.00 0.00 C ATOM 0 H LEU A 43 -14.881 -4.091 0.527 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.666 -5.444 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.226 -2.713 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.581 -3.199 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.851 -3.182 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.702 -1.185 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.245 -0.898 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.531 -1.244 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.999 -3.472 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.829 -3.527 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.041 -4.818 -2.630 1.00 0.00 H new ATOM 702 N GLY A 44 -12.989 -5.103 2.205 1.00 0.00 N ATOM 703 CA GLY A 44 -12.432 -5.599 3.499 1.00 0.00 C ATOM 704 C GLY A 44 -12.486 -7.128 3.537 1.00 0.00 C ATOM 705 O GLY A 44 -11.566 -7.776 3.997 1.00 0.00 O ATOM 0 H GLY A 44 -13.851 -4.563 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.403 -5.260 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.000 -5.185 4.332 1.00 0.00 H new ATOM 709 N GLU A 45 -13.561 -7.706 3.062 1.00 0.00 N ATOM 710 CA GLU A 45 -13.688 -9.201 3.074 1.00 0.00 C ATOM 711 C GLU A 45 -12.506 -9.852 2.346 1.00 0.00 C ATOM 712 O GLU A 45 -12.058 -10.922 2.714 1.00 0.00 O ATOM 713 CB GLU A 45 -14.996 -9.498 2.337 1.00 0.00 C ATOM 714 CG GLU A 45 -15.539 -10.855 2.790 1.00 0.00 C ATOM 715 CD GLU A 45 -16.056 -10.744 4.226 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.225 -10.436 4.392 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.275 -10.968 5.135 1.00 0.00 O ATOM 0 H GLU A 45 -14.358 -7.209 2.665 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.689 -9.599 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.727 -8.715 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.826 -9.503 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.342 -11.177 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.755 -11.610 2.732 1.00 0.00 H new ATOM 724 N MET A 46 -12.004 -9.217 1.319 1.00 0.00 N ATOM 725 CA MET A 46 -10.853 -9.797 0.563 1.00 0.00 C ATOM 726 C MET A 46 -9.538 -9.514 1.295 1.00 0.00 C ATOM 727 O MET A 46 -8.712 -10.391 1.466 1.00 0.00 O ATOM 728 CB MET A 46 -10.872 -9.091 -0.795 1.00 0.00 C ATOM 729 CG MET A 46 -12.180 -9.412 -1.519 1.00 0.00 C ATOM 730 SD MET A 46 -12.057 -11.044 -2.292 1.00 0.00 S ATOM 731 CE MET A 46 -11.448 -10.486 -3.902 1.00 0.00 C ATOM 0 H MET A 46 -12.342 -8.320 0.970 1.00 0.00 H new ATOM 0 HA MET A 46 -10.933 -10.879 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.775 -8.014 -0.658 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.022 -9.414 -1.397 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.012 -9.393 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.385 -8.654 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.299 -11.347 -4.553 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.177 -9.812 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.501 -9.962 -3.771 1.00 0.00 H new ATOM 741 N TRP A 47 -9.338 -8.292 1.722 1.00 0.00 N ATOM 742 CA TRP A 47 -8.072 -7.937 2.439 1.00 0.00 C ATOM 743 C TRP A 47 -7.870 -8.828 3.671 1.00 0.00 C ATOM 744 O TRP A 47 -6.762 -8.988 4.149 1.00 0.00 O ATOM 745 CB TRP A 47 -8.241 -6.476 2.863 1.00 0.00 C ATOM 746 CG TRP A 47 -6.961 -5.980 3.455 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.755 -5.740 4.769 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.709 -5.664 2.779 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.456 -5.295 4.944 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.771 -5.233 3.746 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.299 -5.710 1.434 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.475 -4.859 3.392 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.995 -5.334 1.074 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.085 -4.909 2.051 1.00 0.00 C ATOM 0 H TRP A 47 -9.997 -7.523 1.605 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.199 -8.082 1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.517 -5.866 2.003 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.049 -6.388 3.589 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.485 -5.874 5.554 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.054 -5.044 5.847 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.992 -6.037 0.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.777 -4.533 4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.692 -5.373 0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.083 -4.620 1.768 1.00 0.00 H new ATOM 765 N SER A 48 -8.925 -9.409 4.189 1.00 0.00 N ATOM 766 CA SER A 48 -8.786 -10.288 5.389 1.00 0.00 C ATOM 767 C SER A 48 -8.577 -11.741 4.959 1.00 0.00 C ATOM 768 O SER A 48 -7.848 -12.484 5.589 1.00 0.00 O ATOM 769 CB SER A 48 -10.107 -10.139 6.144 1.00 0.00 C ATOM 770 OG SER A 48 -9.993 -10.762 7.416 1.00 0.00 O ATOM 0 H SER A 48 -9.875 -9.312 3.832 1.00 0.00 H new ATOM 0 HA SER A 48 -7.930 -10.013 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.354 -9.084 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.918 -10.594 5.575 1.00 0.00 H new ATOM 0 HG SER A 48 -10.838 -10.667 7.904 1.00 0.00 H new ATOM 776 N GLU A 49 -9.209 -12.148 3.888 1.00 0.00 N ATOM 777 CA GLU A 49 -9.050 -13.556 3.407 1.00 0.00 C ATOM 778 C GLU A 49 -7.605 -13.799 2.964 1.00 0.00 C ATOM 779 O GLU A 49 -7.069 -14.879 3.129 1.00 0.00 O ATOM 780 CB GLU A 49 -10.003 -13.687 2.216 1.00 0.00 C ATOM 781 CG GLU A 49 -11.436 -13.852 2.726 1.00 0.00 C ATOM 782 CD GLU A 49 -12.410 -13.779 1.548 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.519 -12.715 0.961 1.00 0.00 O ATOM 784 OE2 GLU A 49 -13.029 -14.788 1.254 1.00 0.00 O ATOM 0 H GLU A 49 -9.829 -11.566 3.324 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.275 -14.284 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.931 -12.805 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.722 -14.544 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.542 -14.807 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.667 -13.072 3.451 1.00 0.00 H new ATOM 791 N GLN A 50 -6.973 -12.799 2.403 1.00 0.00 N ATOM 792 CA GLN A 50 -5.558 -12.958 1.943 1.00 0.00 C ATOM 793 C GLN A 50 -4.656 -13.349 3.116 1.00 0.00 C ATOM 794 O GLN A 50 -4.909 -12.996 4.252 1.00 0.00 O ATOM 795 CB GLN A 50 -5.155 -11.587 1.395 1.00 0.00 C ATOM 796 CG GLN A 50 -5.960 -11.287 0.129 1.00 0.00 C ATOM 797 CD GLN A 50 -5.328 -12.008 -1.062 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.170 -11.803 -1.368 1.00 0.00 O ATOM 799 NE2 GLN A 50 -6.044 -12.853 -1.754 1.00 0.00 N ATOM 0 H GLN A 50 -7.377 -11.876 2.243 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.460 -13.742 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.335 -10.817 2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.088 -11.572 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.993 -11.611 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.983 -10.213 -0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.016 -13.026 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.631 -13.340 -2.550 1.00 0.00 H new ATOM 808 N SER A 51 -3.601 -14.073 2.841 1.00 0.00 N ATOM 809 CA SER A 51 -2.668 -14.491 3.928 1.00 0.00 C ATOM 810 C SER A 51 -1.575 -13.430 4.102 1.00 0.00 C ATOM 811 O SER A 51 -1.792 -12.263 3.832 1.00 0.00 O ATOM 812 CB SER A 51 -2.076 -15.817 3.445 1.00 0.00 C ATOM 813 OG SER A 51 -1.387 -16.441 4.520 1.00 0.00 O ATOM 0 H SER A 51 -3.346 -14.393 1.907 1.00 0.00 H new ATOM 0 HA SER A 51 -3.161 -14.601 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.868 -16.470 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.394 -15.643 2.613 1.00 0.00 H new ATOM 0 HG SER A 51 -1.008 -17.292 4.215 1.00 0.00 H new ATOM 819 N ALA A 52 -0.405 -13.819 4.547 1.00 0.00 N ATOM 820 CA ALA A 52 0.697 -12.827 4.732 1.00 0.00 C ATOM 821 C ALA A 52 1.458 -12.630 3.416 1.00 0.00 C ATOM 822 O ALA A 52 2.667 -12.761 3.362 1.00 0.00 O ATOM 823 CB ALA A 52 1.608 -13.443 5.795 1.00 0.00 C ATOM 0 H ALA A 52 -0.167 -14.781 4.790 1.00 0.00 H new ATOM 0 HA ALA A 52 0.327 -11.847 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.446 -12.773 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.043 -13.594 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.985 -14.402 5.440 1.00 0.00 H new ATOM 829 N LYS A 53 0.756 -12.315 2.354 1.00 0.00 N ATOM 830 CA LYS A 53 1.432 -12.107 1.037 1.00 0.00 C ATOM 831 C LYS A 53 0.940 -10.810 0.389 1.00 0.00 C ATOM 832 O LYS A 53 1.714 -10.045 -0.155 1.00 0.00 O ATOM 833 CB LYS A 53 1.025 -13.315 0.192 1.00 0.00 C ATOM 834 CG LYS A 53 1.905 -14.512 0.555 1.00 0.00 C ATOM 835 CD LYS A 53 1.608 -15.670 -0.400 1.00 0.00 C ATOM 836 CE LYS A 53 2.767 -16.668 -0.370 1.00 0.00 C ATOM 837 NZ LYS A 53 2.550 -17.545 -1.554 1.00 0.00 N ATOM 0 H LYS A 53 -0.257 -12.193 2.344 1.00 0.00 H new ATOM 0 HA LYS A 53 2.514 -12.022 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.024 -13.556 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.129 -13.082 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.958 -14.236 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.716 -14.817 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.681 -16.165 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.466 -15.293 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.729 -16.158 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.767 -17.245 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.306 -18.257 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.630 -18.022 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.562 -16.969 -2.420 1.00 0.00 H new ATOM 851 N ASP A 54 -0.345 -10.564 0.436 1.00 0.00 N ATOM 852 CA ASP A 54 -0.898 -9.319 -0.183 1.00 0.00 C ATOM 853 C ASP A 54 -0.275 -8.074 0.459 1.00 0.00 C ATOM 854 O ASP A 54 -0.119 -7.053 -0.184 1.00 0.00 O ATOM 855 CB ASP A 54 -2.403 -9.366 0.094 1.00 0.00 C ATOM 856 CG ASP A 54 -3.134 -8.462 -0.900 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.895 -7.266 -0.868 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.919 -8.981 -1.675 1.00 0.00 O ATOM 0 H ASP A 54 -1.036 -11.171 0.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.680 -9.266 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.768 -10.390 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.606 -9.041 1.114 1.00 0.00 H new ATOM 863 N LYS A 55 0.073 -8.148 1.721 1.00 0.00 N ATOM 864 CA LYS A 55 0.675 -6.962 2.403 1.00 0.00 C ATOM 865 C LYS A 55 2.197 -7.103 2.506 1.00 0.00 C ATOM 866 O LYS A 55 2.812 -6.541 3.389 1.00 0.00 O ATOM 867 CB LYS A 55 0.048 -6.942 3.798 1.00 0.00 C ATOM 868 CG LYS A 55 0.228 -5.558 4.424 1.00 0.00 C ATOM 869 CD LYS A 55 -0.061 -5.633 5.925 1.00 0.00 C ATOM 870 CE LYS A 55 0.024 -4.232 6.533 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.422 -4.398 7.945 1.00 0.00 N ATOM 0 H LYS A 55 -0.034 -8.977 2.306 1.00 0.00 H new ATOM 0 HA LYS A 55 0.484 -6.042 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.012 -7.188 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.514 -7.700 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.244 -5.201 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.444 -4.843 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.052 -6.055 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.655 -6.296 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.040 -3.841 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.614 -3.530 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.391 -3.478 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.395 -4.765 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.208 -5.067 8.432 1.00 0.00 H new ATOM 885 N GLN A 56 2.809 -7.855 1.625 1.00 0.00 N ATOM 886 CA GLN A 56 4.294 -8.021 1.694 1.00 0.00 C ATOM 887 C GLN A 56 4.998 -7.062 0.713 1.00 0.00 C ATOM 888 O GLN A 56 5.874 -6.325 1.118 1.00 0.00 O ATOM 889 CB GLN A 56 4.564 -9.483 1.324 1.00 0.00 C ATOM 890 CG GLN A 56 4.890 -10.286 2.588 1.00 0.00 C ATOM 891 CD GLN A 56 6.334 -10.011 3.010 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.243 -10.704 2.596 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.586 -9.021 3.823 1.00 0.00 N ATOM 0 H GLN A 56 2.349 -8.358 0.866 1.00 0.00 H new ATOM 0 HA GLN A 56 4.680 -7.783 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.693 -9.909 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.394 -9.542 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.207 -10.012 3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.751 -11.351 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.823 -8.440 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.546 -8.829 4.111 1.00 0.00 H new ATOM 902 N PRO A 57 4.613 -7.093 -0.550 1.00 0.00 N ATOM 903 CA PRO A 57 5.253 -6.204 -1.547 1.00 0.00 C ATOM 904 C PRO A 57 4.593 -4.817 -1.564 1.00 0.00 C ATOM 905 O PRO A 57 5.232 -3.824 -1.852 1.00 0.00 O ATOM 906 CB PRO A 57 5.005 -6.914 -2.868 1.00 0.00 C ATOM 907 CG PRO A 57 3.770 -7.730 -2.654 1.00 0.00 C ATOM 908 CD PRO A 57 3.583 -7.938 -1.171 1.00 0.00 C ATOM 0 HA PRO A 57 6.308 -6.035 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.868 -6.199 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.851 -7.545 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.903 -7.223 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.858 -8.690 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.583 -7.645 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.710 -8.985 -0.898 1.00 0.00 H new ATOM 916 N TYR A 58 3.315 -4.750 -1.289 1.00 0.00 N ATOM 917 CA TYR A 58 2.601 -3.432 -1.319 1.00 0.00 C ATOM 918 C TYR A 58 2.776 -2.658 -0.001 1.00 0.00 C ATOM 919 O TYR A 58 2.436 -1.492 0.080 1.00 0.00 O ATOM 920 CB TYR A 58 1.122 -3.792 -1.540 1.00 0.00 C ATOM 921 CG TYR A 58 0.604 -3.106 -2.783 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.949 -3.597 -4.049 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.220 -1.980 -2.671 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.468 -2.963 -5.201 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.700 -1.346 -3.823 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.356 -1.836 -5.088 1.00 0.00 C ATOM 927 OH TYR A 58 -0.828 -1.211 -6.224 1.00 0.00 O ATOM 0 H TYR A 58 2.732 -5.551 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 58 2.997 -2.782 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.013 -4.872 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.532 -3.489 -0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.586 -4.465 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.486 -1.600 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.732 -3.343 -6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.336 -0.478 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.926 -1.870 -6.943 1.00 0.00 H new ATOM 937 N GLU A 59 3.287 -3.288 1.031 1.00 0.00 N ATOM 938 CA GLU A 59 3.460 -2.571 2.333 1.00 0.00 C ATOM 939 C GLU A 59 4.713 -1.683 2.306 1.00 0.00 C ATOM 940 O GLU A 59 4.793 -0.692 3.009 1.00 0.00 O ATOM 941 CB GLU A 59 3.579 -3.682 3.387 1.00 0.00 C ATOM 942 CG GLU A 59 4.883 -4.470 3.189 1.00 0.00 C ATOM 943 CD GLU A 59 6.007 -3.803 3.982 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.909 -3.769 5.199 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.947 -3.335 3.362 1.00 0.00 O ATOM 0 H GLU A 59 3.590 -4.262 1.028 1.00 0.00 H new ATOM 0 HA GLU A 59 2.627 -1.902 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.557 -3.248 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.725 -4.355 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.752 -5.500 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.142 -4.506 2.131 1.00 0.00 H new ATOM 952 N GLN A 60 5.687 -2.033 1.504 1.00 0.00 N ATOM 953 CA GLN A 60 6.936 -1.212 1.432 1.00 0.00 C ATOM 954 C GLN A 60 6.701 0.072 0.622 1.00 0.00 C ATOM 955 O GLN A 60 7.443 1.029 0.737 1.00 0.00 O ATOM 956 CB GLN A 60 7.972 -2.115 0.745 1.00 0.00 C ATOM 957 CG GLN A 60 7.509 -2.467 -0.676 1.00 0.00 C ATOM 958 CD GLN A 60 7.823 -3.936 -0.971 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.628 -4.793 -0.131 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.307 -4.265 -2.137 1.00 0.00 N ATOM 0 H GLN A 60 5.672 -2.852 0.896 1.00 0.00 H new ATOM 0 HA GLN A 60 7.270 -0.892 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.937 -1.610 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.113 -3.027 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.439 -2.287 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.009 -1.825 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.471 -3.547 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.521 -5.241 -2.343 1.00 0.00 H new ATOM 969 N LYS A 61 5.675 0.097 -0.196 1.00 0.00 N ATOM 970 CA LYS A 61 5.393 1.319 -1.012 1.00 0.00 C ATOM 971 C LYS A 61 5.025 2.488 -0.098 1.00 0.00 C ATOM 972 O LYS A 61 5.504 3.594 -0.273 1.00 0.00 O ATOM 973 CB LYS A 61 4.213 0.936 -1.915 1.00 0.00 C ATOM 974 CG LYS A 61 3.803 2.132 -2.779 1.00 0.00 C ATOM 975 CD LYS A 61 2.883 1.657 -3.904 1.00 0.00 C ATOM 976 CE LYS A 61 3.028 2.588 -5.111 1.00 0.00 C ATOM 977 NZ LYS A 61 1.865 2.266 -5.985 1.00 0.00 N ATOM 0 H LYS A 61 5.023 -0.675 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 61 6.257 1.636 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.490 0.095 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.369 0.611 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.293 2.878 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.688 2.613 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.135 0.635 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.848 1.647 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.016 3.635 -4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.971 2.418 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.894 2.864 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.907 1.265 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.981 2.444 -5.466 1.00 0.00 H new ATOM 991 N ALA A 62 4.194 2.251 0.882 1.00 0.00 N ATOM 992 CA ALA A 62 3.809 3.346 1.817 1.00 0.00 C ATOM 993 C ALA A 62 4.880 3.515 2.900 1.00 0.00 C ATOM 994 O ALA A 62 4.926 4.524 3.579 1.00 0.00 O ATOM 995 CB ALA A 62 2.482 2.901 2.433 1.00 0.00 C ATOM 0 H ALA A 62 3.765 1.346 1.075 1.00 0.00 H new ATOM 0 HA ALA A 62 3.715 4.307 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.134 3.659 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.741 2.769 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.624 1.957 2.959 1.00 0.00 H new ATOM 1001 N ALA A 63 5.757 2.545 3.056 1.00 0.00 N ATOM 1002 CA ALA A 63 6.837 2.669 4.081 1.00 0.00 C ATOM 1003 C ALA A 63 7.700 3.891 3.763 1.00 0.00 C ATOM 1004 O ALA A 63 8.270 4.508 4.643 1.00 0.00 O ATOM 1005 CB ALA A 63 7.661 1.384 3.966 1.00 0.00 C ATOM 0 H ALA A 63 5.767 1.679 2.518 1.00 0.00 H new ATOM 0 HA ALA A 63 6.442 2.797 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.474 1.407 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.022 0.523 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.074 1.306 2.960 1.00 0.00 H new ATOM 1011 N LYS A 64 7.783 4.253 2.505 1.00 0.00 N ATOM 1012 CA LYS A 64 8.590 5.446 2.112 1.00 0.00 C ATOM 1013 C LYS A 64 7.767 6.720 2.346 1.00 0.00 C ATOM 1014 O LYS A 64 8.107 7.550 3.168 1.00 0.00 O ATOM 1015 CB LYS A 64 8.877 5.234 0.621 1.00 0.00 C ATOM 1016 CG LYS A 64 9.473 6.502 -0.009 1.00 0.00 C ATOM 1017 CD LYS A 64 10.783 6.163 -0.724 1.00 0.00 C ATOM 1018 CE LYS A 64 10.480 5.348 -1.985 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.804 5.139 -2.635 1.00 0.00 N ATOM 0 H LYS A 64 7.324 3.770 1.733 1.00 0.00 H new ATOM 0 HA LYS A 64 9.509 5.557 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.569 4.401 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.956 4.965 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.765 6.935 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.653 7.251 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.313 7.078 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.436 5.597 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.008 4.398 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.796 5.881 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.679 4.587 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.227 6.061 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.432 4.623 -1.986 1.00 0.00 H new ATOM 1033 N LEU A 65 6.689 6.877 1.618 1.00 0.00 N ATOM 1034 CA LEU A 65 5.826 8.095 1.774 1.00 0.00 C ATOM 1035 C LEU A 65 5.466 8.339 3.246 1.00 0.00 C ATOM 1036 O LEU A 65 5.182 9.453 3.642 1.00 0.00 O ATOM 1037 CB LEU A 65 4.564 7.795 0.962 1.00 0.00 C ATOM 1038 CG LEU A 65 4.840 8.045 -0.521 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.284 6.741 -1.186 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.565 8.552 -1.199 1.00 0.00 C ATOM 0 H LEU A 65 6.366 6.210 0.917 1.00 0.00 H new ATOM 0 HA LEU A 65 6.339 8.993 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.257 6.761 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.742 8.426 1.301 1.00 0.00 H new ATOM 0 HG LEU A 65 5.628 8.791 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.480 6.920 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.192 6.378 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.496 5.994 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.761 8.730 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.777 7.806 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.247 9.482 -0.727 1.00 0.00 H new ATOM 1052 N LYS A 66 5.490 7.310 4.058 1.00 0.00 N ATOM 1053 CA LYS A 66 5.164 7.491 5.505 1.00 0.00 C ATOM 1054 C LYS A 66 6.197 8.416 6.154 1.00 0.00 C ATOM 1055 O LYS A 66 5.854 9.402 6.780 1.00 0.00 O ATOM 1056 CB LYS A 66 5.236 6.087 6.115 1.00 0.00 C ATOM 1057 CG LYS A 66 4.930 6.157 7.617 1.00 0.00 C ATOM 1058 CD LYS A 66 4.052 4.971 8.022 1.00 0.00 C ATOM 1059 CE LYS A 66 4.174 4.737 9.529 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.376 3.508 9.794 1.00 0.00 N ATOM 0 H LYS A 66 5.721 6.356 3.781 1.00 0.00 H new ATOM 0 HA LYS A 66 4.184 7.943 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.523 5.428 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.227 5.662 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.859 6.146 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.423 7.093 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.013 5.167 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.357 4.077 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.215 4.603 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.789 5.587 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.412 3.283 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.389 3.667 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.770 2.714 9.249 1.00 0.00 H new ATOM 1074 N GLU A 67 7.458 8.101 6.005 1.00 0.00 N ATOM 1075 CA GLU A 67 8.525 8.956 6.610 1.00 0.00 C ATOM 1076 C GLU A 67 8.487 10.360 6.002 1.00 0.00 C ATOM 1077 O GLU A 67 8.506 11.351 6.706 1.00 0.00 O ATOM 1078 CB GLU A 67 9.844 8.259 6.265 1.00 0.00 C ATOM 1079 CG GLU A 67 9.997 7.000 7.120 1.00 0.00 C ATOM 1080 CD GLU A 67 11.198 6.190 6.629 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.039 5.454 5.668 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.257 6.320 7.220 1.00 0.00 O ATOM 0 H GLU A 67 7.796 7.288 5.490 1.00 0.00 H new ATOM 0 HA GLU A 67 8.396 9.071 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.863 7.997 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.681 8.935 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.133 7.273 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.091 6.397 7.063 1.00 0.00 H new ATOM 1089 N LYS A 68 8.440 10.448 4.697 1.00 0.00 N ATOM 1090 CA LYS A 68 8.408 11.788 4.029 1.00 0.00 C ATOM 1091 C LYS A 68 7.171 12.577 4.470 1.00 0.00 C ATOM 1092 O LYS A 68 7.173 13.794 4.474 1.00 0.00 O ATOM 1093 CB LYS A 68 8.346 11.492 2.530 1.00 0.00 C ATOM 1094 CG LYS A 68 9.696 10.944 2.061 1.00 0.00 C ATOM 1095 CD LYS A 68 10.695 12.095 1.926 1.00 0.00 C ATOM 1096 CE LYS A 68 12.098 11.530 1.699 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.119 11.111 0.270 1.00 0.00 N ATOM 0 H LYS A 68 8.422 9.649 4.063 1.00 0.00 H new ATOM 0 HA LYS A 68 9.278 12.391 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.557 10.769 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.099 12.400 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.068 10.207 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.581 10.434 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.412 12.740 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.681 12.710 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.863 12.280 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.295 10.686 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.379 10.106 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.177 11.252 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.816 11.682 -0.249 1.00 0.00 H new ATOM 1111 N TYR A 69 6.119 11.893 4.844 1.00 0.00 N ATOM 1112 CA TYR A 69 4.881 12.600 5.289 1.00 0.00 C ATOM 1113 C TYR A 69 5.031 13.046 6.743 1.00 0.00 C ATOM 1114 O TYR A 69 5.042 14.223 7.040 1.00 0.00 O ATOM 1115 CB TYR A 69 3.761 11.565 5.154 1.00 0.00 C ATOM 1116 CG TYR A 69 3.126 11.668 3.784 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.928 11.667 2.633 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.735 11.762 3.666 1.00 0.00 C ATOM 1119 CE1 TYR A 69 3.335 11.761 1.368 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.144 11.855 2.400 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.945 11.855 1.250 1.00 0.00 C ATOM 1122 OH TYR A 69 1.362 11.947 0.003 1.00 0.00 O ATOM 0 H TYR A 69 6.065 10.875 4.860 1.00 0.00 H new ATOM 0 HA TYR A 69 4.677 13.494 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.161 10.562 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.009 11.728 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.002 11.594 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.117 11.763 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.952 11.761 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.070 11.927 2.310 1.00 0.00 H new ATOM 0 HH TYR A 69 1.918 11.478 -0.654 1.00 0.00 H new ATOM 1132 N GLU A 70 5.140 12.108 7.654 1.00 0.00 N ATOM 1133 CA GLU A 70 5.284 12.465 9.106 1.00 0.00 C ATOM 1134 C GLU A 70 6.402 13.499 9.315 1.00 0.00 C ATOM 1135 O GLU A 70 6.309 14.359 10.169 1.00 0.00 O ATOM 1136 CB GLU A 70 5.644 11.153 9.804 1.00 0.00 C ATOM 1137 CG GLU A 70 4.484 10.165 9.663 1.00 0.00 C ATOM 1138 CD GLU A 70 4.431 9.261 10.896 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.223 9.781 11.979 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.600 8.062 10.736 1.00 0.00 O ATOM 0 H GLU A 70 5.136 11.107 7.456 1.00 0.00 H new ATOM 0 HA GLU A 70 4.371 12.911 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.549 10.732 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.854 11.335 10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.543 10.705 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.612 9.563 8.763 1.00 0.00 H new ATOM 1147 N LYS A 71 7.453 13.414 8.541 1.00 0.00 N ATOM 1148 CA LYS A 71 8.581 14.384 8.693 1.00 0.00 C ATOM 1149 C LYS A 71 8.215 15.743 8.086 1.00 0.00 C ATOM 1150 O LYS A 71 8.371 16.772 8.715 1.00 0.00 O ATOM 1151 CB LYS A 71 9.750 13.760 7.929 1.00 0.00 C ATOM 1152 CG LYS A 71 10.338 12.608 8.747 1.00 0.00 C ATOM 1153 CD LYS A 71 11.348 13.162 9.754 1.00 0.00 C ATOM 1154 CE LYS A 71 12.242 12.027 10.260 1.00 0.00 C ATOM 1155 NZ LYS A 71 12.998 12.613 11.401 1.00 0.00 N ATOM 0 H LYS A 71 7.580 12.715 7.809 1.00 0.00 H new ATOM 0 HA LYS A 71 8.821 14.563 9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.411 13.396 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.516 14.512 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.543 12.075 9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.823 11.889 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.956 13.937 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.826 13.628 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.649 11.169 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.916 11.677 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.634 11.894 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.558 13.423 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.331 12.931 12.132 1.00 0.00 H new ATOM 1169 N ASP A 72 7.746 15.754 6.863 1.00 0.00 N ATOM 1170 CA ASP A 72 7.387 17.049 6.201 1.00 0.00 C ATOM 1171 C ASP A 72 6.077 17.615 6.759 1.00 0.00 C ATOM 1172 O ASP A 72 5.838 18.807 6.690 1.00 0.00 O ATOM 1173 CB ASP A 72 7.230 16.709 4.718 1.00 0.00 C ATOM 1174 CG ASP A 72 7.155 18.001 3.903 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.195 18.598 3.680 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.059 18.371 3.515 1.00 0.00 O ATOM 0 H ASP A 72 7.596 14.922 6.293 1.00 0.00 H new ATOM 0 HA ASP A 72 8.148 17.810 6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.071 16.103 4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.328 16.116 4.563 1.00 0.00 H new ATOM 1181 N ILE A 73 5.228 16.782 7.308 1.00 0.00 N ATOM 1182 CA ILE A 73 3.940 17.295 7.863 1.00 0.00 C ATOM 1183 C ILE A 73 4.174 17.897 9.257 1.00 0.00 C ATOM 1184 O ILE A 73 3.567 18.886 9.615 1.00 0.00 O ATOM 1185 CB ILE A 73 2.989 16.081 7.900 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.552 16.573 8.079 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.344 15.133 9.051 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.078 17.242 6.788 1.00 0.00 C ATOM 0 H ILE A 73 5.370 15.776 7.395 1.00 0.00 H new ATOM 0 HA ILE A 73 3.510 18.093 7.258 1.00 0.00 H new ATOM 0 HB ILE A 73 3.091 15.536 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.899 15.737 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.498 17.279 8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.656 14.287 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.364 14.771 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.264 15.666 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.054 17.593 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.726 18.088 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.116 16.523 5.970 1.00 0.00 H new ATOM 1200 N ALA A 74 5.040 17.287 10.044 1.00 0.00 N ATOM 1201 CA ALA A 74 5.335 17.789 11.436 1.00 0.00 C ATOM 1202 C ALA A 74 5.445 19.320 11.467 1.00 0.00 C ATOM 1203 O ALA A 74 5.040 19.961 12.418 1.00 0.00 O ATOM 1204 CB ALA A 74 6.674 17.153 11.808 1.00 0.00 C ATOM 0 H ALA A 74 5.562 16.452 9.778 1.00 0.00 H new ATOM 0 HA ALA A 74 4.539 17.526 12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.961 17.469 12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.581 16.067 11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.437 17.468 11.096 1.00 0.00 H new ATOM 1210 N ALA A 75 5.961 19.903 10.414 1.00 0.00 N ATOM 1211 CA ALA A 75 6.061 21.391 10.360 1.00 0.00 C ATOM 1212 C ALA A 75 4.643 21.962 10.302 1.00 0.00 C ATOM 1213 O ALA A 75 4.275 22.834 11.064 1.00 0.00 O ATOM 1214 CB ALA A 75 6.827 21.698 9.070 1.00 0.00 C ATOM 0 H ALA A 75 6.316 19.413 9.593 1.00 0.00 H new ATOM 0 HA ALA A 75 6.566 21.824 11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.940 22.777 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.812 21.233 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.275 21.303 8.217 1.00 0.00 H new ATOM 1220 N TYR A 76 3.845 21.446 9.404 1.00 0.00 N ATOM 1221 CA TYR A 76 2.432 21.914 9.279 1.00 0.00 C ATOM 1222 C TYR A 76 1.621 21.429 10.485 1.00 0.00 C ATOM 1223 O TYR A 76 1.071 22.212 11.236 1.00 0.00 O ATOM 1224 CB TYR A 76 1.911 21.259 7.995 1.00 0.00 C ATOM 1225 CG TYR A 76 0.606 21.901 7.591 1.00 0.00 C ATOM 1226 CD1 TYR A 76 0.610 23.088 6.850 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -0.608 21.308 7.959 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -0.601 23.684 6.475 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -1.819 21.903 7.584 1.00 0.00 C ATOM 1230 CZ TYR A 76 -1.815 23.091 6.842 1.00 0.00 C ATOM 1231 OH TYR A 76 -3.008 23.677 6.472 1.00 0.00 O ATOM 0 H TYR A 76 4.114 20.714 8.746 1.00 0.00 H new ATOM 0 HA TYR A 76 2.353 23.001 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.644 21.368 7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.768 20.190 8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.547 23.545 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.610 20.392 8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.598 24.600 5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.756 21.446 7.867 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.755 23.137 6.806 1.00 0.00 H new ATOM 1241 N ARG A 77 1.552 20.135 10.665 1.00 0.00 N ATOM 1242 CA ARG A 77 0.784 19.568 11.817 1.00 0.00 C ATOM 1243 C ARG A 77 1.352 20.090 13.141 1.00 0.00 C ATOM 1244 O ARG A 77 0.649 20.686 13.934 1.00 0.00 O ATOM 1245 CB ARG A 77 0.968 18.051 11.715 1.00 0.00 C ATOM 1246 CG ARG A 77 -0.250 17.432 11.024 1.00 0.00 C ATOM 1247 CD ARG A 77 -0.334 15.944 11.372 1.00 0.00 C ATOM 1248 NE ARG A 77 -1.205 15.881 12.578 1.00 0.00 N ATOM 1249 CZ ARG A 77 -2.203 15.041 12.619 1.00 0.00 C ATOM 1250 NH1 ARG A 77 -3.366 15.385 12.138 1.00 0.00 N ATOM 1251 NH2 ARG A 77 -2.038 13.856 13.142 1.00 0.00 N ATOM 0 H ARG A 77 1.996 19.443 10.062 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.268 19.852 11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.873 17.821 11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.092 17.622 12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.159 17.942 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.173 17.560 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.757 15.369 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.653 15.530 11.576 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.022 16.494 13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.495 16.311 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.146 14.728 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.129 13.587 13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.818 13.200 13.174 1.00 0.00 H new ATOM 1265 N ALA A 78 2.621 19.865 13.386 1.00 0.00 N ATOM 1266 CA ALA A 78 3.257 20.340 14.661 1.00 0.00 C ATOM 1267 C ALA A 78 2.499 19.787 15.875 1.00 0.00 C ATOM 1268 O ALA A 78 1.902 20.524 16.637 1.00 0.00 O ATOM 1269 CB ALA A 78 3.176 21.871 14.623 1.00 0.00 C ATOM 0 H ALA A 78 3.250 19.369 12.754 1.00 0.00 H new ATOM 0 HA ALA A 78 4.288 19.998 14.749 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.624 22.282 15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.714 22.242 13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.132 22.179 14.564 1.00 0.00 H new ATOM 1275 N LYS A 79 2.525 18.491 16.052 1.00 0.00 N ATOM 1276 CA LYS A 79 1.811 17.872 17.212 1.00 0.00 C ATOM 1277 C LYS A 79 2.471 18.297 18.529 1.00 0.00 C ATOM 1278 O LYS A 79 3.222 19.258 18.511 1.00 0.00 O ATOM 1279 CB LYS A 79 1.933 16.357 17.006 1.00 0.00 C ATOM 1280 CG LYS A 79 3.411 15.952 16.952 1.00 0.00 C ATOM 1281 CD LYS A 79 3.623 14.915 15.844 1.00 0.00 C ATOM 1282 CE LYS A 79 3.005 13.580 16.268 1.00 0.00 C ATOM 1283 NZ LYS A 79 4.120 12.826 16.904 1.00 0.00 N ATOM 1284 OXT LYS A 79 2.213 17.653 19.532 1.00 0.00 O ATOM 0 H LYS A 79 3.010 17.833 15.443 1.00 0.00 H new ATOM 0 HA LYS A 79 0.768 18.185 17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.433 15.830 17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.434 16.066 16.082 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.032 16.829 16.766 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.720 15.540 17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.167 15.260 14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.688 14.789 15.648 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.181 13.730 16.966 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.602 13.041 15.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.775 11.898 17.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.887 12.693 16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.479 13.360 17.721 1.00 0.00 H new TER 1298 LYS A 79