USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 821 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 50 ASN : amide:sc= -0.18 K(o=-0.24,f=-4!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.0607 X(o=-0.24,f=-0.13) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0.351 (180deg=0) USER MOD Set 2.2: A 20 SER OG : rot -176:sc= 0.888 USER MOD Set 2.3: A 22 CYS SG : rot -6:sc= -0.596 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.142 (180deg=-0.709) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0717) USER MOD Single : A 10 CYS SG : rot -2:sc= -1.83 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0.432 (180deg=0.38) USER MOD Single : A 31 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.73) USER MOD Single : A 36 THR OG1 : rot 49:sc= 0.894 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -0.0455 (180deg=-0.705) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -106:sc= 2.38 (180deg=0.824) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0192 (180deg=-0.242) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 2.37 (180deg=2.04) USER MOD Single : A 74 LYS NZ :NH3+ 132:sc= 0.0101 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0.657) USER MOD Single : A 79 SER OG : rot 180:sc= -0.315 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0167 F(o=-1.1,f=-0.017) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -177:sc= -0.265 (180deg=-0.268) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= -0.0779 (180deg=-0.189) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= -0.028 (180deg=-0.208) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.08) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.824 16.889 -11.439 1.00 0.00 N ATOM 2 CA MET A 1 -0.672 15.446 -11.728 1.00 0.00 C ATOM 3 C MET A 1 -0.014 14.746 -10.549 1.00 0.00 C ATOM 4 O MET A 1 1.177 14.933 -10.297 1.00 0.00 O ATOM 5 CB MET A 1 0.172 15.231 -12.991 1.00 0.00 C ATOM 6 CG MET A 1 -0.493 15.718 -14.267 1.00 0.00 C ATOM 7 SD MET A 1 0.544 15.491 -15.730 1.00 0.00 S ATOM 8 CE MET A 1 0.751 13.712 -15.728 1.00 0.00 C ATOM 0 H1 MET A 1 -1.393 17.335 -12.187 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.300 17.011 -10.522 1.00 0.00 H new ATOM 0 H3 MET A 1 0.114 17.337 -11.405 1.00 0.00 H new ATOM 0 HA MET A 1 -1.663 15.024 -11.894 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.125 15.746 -12.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.394 14.168 -13.091 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.433 15.184 -14.408 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.739 16.775 -14.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.082 13.383 -16.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.496 13.433 -14.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.199 13.235 -15.487 1.00 0.00 H new ATOM 20 N PRO A 2 -0.783 13.946 -9.795 1.00 0.00 N ATOM 21 CA PRO A 2 -0.257 13.217 -8.641 1.00 0.00 C ATOM 22 C PRO A 2 0.661 12.065 -9.051 1.00 0.00 C ATOM 23 O PRO A 2 0.200 11.011 -9.491 1.00 0.00 O ATOM 24 CB PRO A 2 -1.515 12.689 -7.946 1.00 0.00 C ATOM 25 CG PRO A 2 -2.549 12.611 -9.020 1.00 0.00 C ATOM 26 CD PRO A 2 -2.223 13.702 -10.003 1.00 0.00 C ATOM 0 HA PRO A 2 0.358 13.852 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.337 11.711 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.830 13.355 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.533 11.635 -9.504 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.549 12.746 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.432 13.393 -11.027 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.812 14.599 -9.814 1.00 0.00 H new ATOM 34 N ALA A 3 1.958 12.274 -8.901 1.00 0.00 N ATOM 35 CA ALA A 3 2.949 11.258 -9.220 1.00 0.00 C ATOM 36 C ALA A 3 3.847 11.028 -8.015 1.00 0.00 C ATOM 37 O ALA A 3 4.694 11.866 -7.699 1.00 0.00 O ATOM 38 CB ALA A 3 3.764 11.668 -10.438 1.00 0.00 C ATOM 0 H ALA A 3 2.353 13.149 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 3 2.440 10.325 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.500 10.895 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.101 11.795 -11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.276 12.608 -10.233 1.00 0.00 H new ATOM 44 N ILE A 4 3.654 9.888 -7.355 1.00 0.00 N ATOM 45 CA ILE A 4 4.275 9.624 -6.063 1.00 0.00 C ATOM 46 C ILE A 4 3.802 10.670 -5.056 1.00 0.00 C ATOM 47 O ILE A 4 4.417 11.723 -4.882 1.00 0.00 O ATOM 48 CB ILE A 4 5.818 9.608 -6.145 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.296 8.512 -7.104 1.00 0.00 C ATOM 50 CG2 ILE A 4 6.435 9.415 -4.766 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.860 7.115 -6.707 1.00 0.00 C ATOM 0 H ILE A 4 3.067 9.128 -7.699 1.00 0.00 H new ATOM 0 HA ILE A 4 3.970 8.630 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 4 6.145 10.573 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.920 8.729 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.384 8.540 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.522 9.407 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.128 10.232 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.097 8.468 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.237 6.396 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.258 6.876 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.771 7.067 -6.680 1.00 0.00 H new ATOM 63 N GLU A 5 2.676 10.384 -4.427 1.00 0.00 N ATOM 64 CA GLU A 5 2.011 11.354 -3.587 1.00 0.00 C ATOM 65 C GLU A 5 1.302 10.648 -2.444 1.00 0.00 C ATOM 66 O GLU A 5 0.761 9.554 -2.626 1.00 0.00 O ATOM 67 CB GLU A 5 1.019 12.152 -4.439 1.00 0.00 C ATOM 68 CG GLU A 5 0.363 13.317 -3.719 1.00 0.00 C ATOM 69 CD GLU A 5 -0.433 14.189 -4.665 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.166 15.097 -5.281 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.652 13.962 -4.816 1.00 0.00 O ATOM 0 H GLU A 5 2.204 9.482 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 5 2.741 12.040 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.539 12.532 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.241 11.477 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.294 12.937 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.129 13.918 -3.229 1.00 0.00 H new ATOM 78 N VAL A 6 1.323 11.268 -1.274 1.00 0.00 N ATOM 79 CA VAL A 6 0.689 10.701 -0.095 1.00 0.00 C ATOM 80 C VAL A 6 -0.803 10.506 -0.327 1.00 0.00 C ATOM 81 O VAL A 6 -1.467 11.336 -0.953 1.00 0.00 O ATOM 82 CB VAL A 6 0.921 11.573 1.160 1.00 0.00 C ATOM 83 CG1 VAL A 6 2.395 11.570 1.536 1.00 0.00 C ATOM 84 CG2 VAL A 6 0.428 12.998 0.939 1.00 0.00 C ATOM 0 H VAL A 6 1.775 12.169 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 6 1.152 9.730 0.083 1.00 0.00 H new ATOM 0 HB VAL A 6 0.347 11.146 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.546 12.188 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.715 10.549 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.982 11.971 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.604 13.588 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.966 13.443 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.639 12.984 0.718 1.00 0.00 H new ATOM 94 N GLY A 7 -1.315 9.388 0.151 1.00 0.00 N ATOM 95 CA GLY A 7 -2.710 9.075 -0.043 1.00 0.00 C ATOM 96 C GLY A 7 -2.932 8.145 -1.219 1.00 0.00 C ATOM 97 O GLY A 7 -3.950 7.456 -1.288 1.00 0.00 O ATOM 0 H GLY A 7 -0.787 8.688 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.106 8.614 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.269 9.997 -0.201 1.00 0.00 H new ATOM 101 N ARG A 8 -1.987 8.116 -2.154 1.00 0.00 N ATOM 102 CA ARG A 8 -2.122 7.249 -3.311 1.00 0.00 C ATOM 103 C ARG A 8 -1.568 5.865 -3.005 1.00 0.00 C ATOM 104 O ARG A 8 -0.519 5.724 -2.368 1.00 0.00 O ATOM 105 CB ARG A 8 -1.433 7.845 -4.546 1.00 0.00 C ATOM 106 CG ARG A 8 -1.676 7.024 -5.802 1.00 0.00 C ATOM 107 CD ARG A 8 -1.147 7.695 -7.062 1.00 0.00 C ATOM 108 NE ARG A 8 -1.389 6.854 -8.234 1.00 0.00 N ATOM 109 CZ ARG A 8 -1.186 7.215 -9.504 1.00 0.00 C ATOM 110 NH1 ARG A 8 -0.767 8.436 -9.813 1.00 0.00 N ATOM 111 NH2 ARG A 8 -1.422 6.341 -10.473 1.00 0.00 N ATOM 0 H ARG A 8 -1.134 8.675 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.184 7.160 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.794 8.861 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.361 7.913 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.202 6.049 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.746 6.847 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.631 8.662 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.079 7.885 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.743 5.912 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.594 9.118 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.618 8.692 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.755 5.404 -10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.271 6.606 -11.446 1.00 0.00 H new ATOM 125 N ILE A 9 -2.289 4.850 -3.453 1.00 0.00 N ATOM 126 CA ILE A 9 -1.896 3.468 -3.240 1.00 0.00 C ATOM 127 C ILE A 9 -0.752 3.097 -4.181 1.00 0.00 C ATOM 128 O ILE A 9 -0.680 3.597 -5.304 1.00 0.00 O ATOM 129 CB ILE A 9 -3.092 2.515 -3.479 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.311 2.985 -2.674 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.728 1.082 -3.103 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.579 2.215 -2.981 1.00 0.00 C ATOM 0 H ILE A 9 -3.160 4.961 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.565 3.363 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.341 2.535 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.090 2.894 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.482 4.043 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.584 0.431 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.887 0.749 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.452 1.041 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.397 2.604 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.826 2.327 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.428 1.160 -2.753 1.00 0.00 H new ATOM 144 N CYS A 10 0.154 2.256 -3.710 1.00 0.00 N ATOM 145 CA CYS A 10 1.254 1.760 -4.522 1.00 0.00 C ATOM 146 C CYS A 10 1.437 0.266 -4.283 1.00 0.00 C ATOM 147 O CYS A 10 1.060 -0.257 -3.229 1.00 0.00 O ATOM 148 CB CYS A 10 2.541 2.519 -4.200 1.00 0.00 C ATOM 149 SG CYS A 10 2.450 4.290 -4.553 1.00 0.00 S ATOM 0 H CYS A 10 0.148 1.898 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 10 1.020 1.922 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.780 2.380 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.361 2.085 -4.773 1.00 0.00 H new ATOM 0 HG CYS A 10 1.290 4.571 -5.068 1.00 0.00 H new ATOM 155 N VAL A 11 2.014 -0.426 -5.249 1.00 0.00 N ATOM 156 CA VAL A 11 2.141 -1.868 -5.158 1.00 0.00 C ATOM 157 C VAL A 11 3.556 -2.312 -5.518 1.00 0.00 C ATOM 158 O VAL A 11 4.257 -1.634 -6.271 1.00 0.00 O ATOM 159 CB VAL A 11 1.109 -2.573 -6.069 1.00 0.00 C ATOM 160 CG1 VAL A 11 1.391 -2.297 -7.540 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.069 -4.066 -5.797 1.00 0.00 C ATOM 0 H VAL A 11 2.399 -0.016 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 11 1.941 -2.156 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 11 0.127 -2.161 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.649 -2.806 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.341 -1.224 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.386 -2.663 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.335 -4.536 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.052 -4.497 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.791 -4.239 -4.757 1.00 0.00 H new ATOM 171 N LYS A 12 3.978 -3.435 -4.947 1.00 0.00 N ATOM 172 CA LYS A 12 5.282 -4.005 -5.254 1.00 0.00 C ATOM 173 C LYS A 12 5.342 -4.431 -6.712 1.00 0.00 C ATOM 174 O LYS A 12 4.484 -5.176 -7.185 1.00 0.00 O ATOM 175 CB LYS A 12 5.586 -5.200 -4.344 1.00 0.00 C ATOM 176 CG LYS A 12 6.149 -4.820 -2.983 1.00 0.00 C ATOM 177 CD LYS A 12 5.093 -4.201 -2.088 1.00 0.00 C ATOM 178 CE LYS A 12 5.648 -3.868 -0.714 1.00 0.00 C ATOM 179 NZ LYS A 12 4.563 -3.565 0.255 1.00 0.00 N ATOM 0 H LYS A 12 3.434 -3.968 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 12 6.036 -3.238 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.671 -5.774 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.296 -5.855 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.560 -5.706 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.972 -4.117 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.706 -3.295 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.254 -4.889 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.241 -4.706 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.319 -3.012 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.978 -3.342 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.013 -2.750 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.937 -4.391 0.345 1.00 0.00 H new ATOM 193 N VAL A 13 6.349 -3.935 -7.418 1.00 0.00 N ATOM 194 CA VAL A 13 6.517 -4.241 -8.830 1.00 0.00 C ATOM 195 C VAL A 13 6.961 -5.685 -9.017 1.00 0.00 C ATOM 196 O VAL A 13 6.556 -6.354 -9.968 1.00 0.00 O ATOM 197 CB VAL A 13 7.548 -3.299 -9.490 1.00 0.00 C ATOM 198 CG1 VAL A 13 7.596 -3.515 -10.996 1.00 0.00 C ATOM 199 CG2 VAL A 13 7.233 -1.849 -9.163 1.00 0.00 C ATOM 0 H VAL A 13 7.064 -3.317 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 13 5.550 -4.094 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 13 8.532 -3.535 -9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.329 -2.840 -11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.879 -4.546 -11.207 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.614 -3.314 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.970 -1.201 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.239 -1.600 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.264 -1.705 -8.083 1.00 0.00 H new ATOM 209 N LYS A 14 7.795 -6.165 -8.101 1.00 0.00 N ATOM 210 CA LYS A 14 8.261 -7.540 -8.152 1.00 0.00 C ATOM 211 C LYS A 14 7.285 -8.440 -7.404 1.00 0.00 C ATOM 212 O LYS A 14 7.290 -8.504 -6.174 1.00 0.00 O ATOM 213 CB LYS A 14 9.675 -7.663 -7.573 1.00 0.00 C ATOM 214 CG LYS A 14 10.297 -9.037 -7.778 1.00 0.00 C ATOM 215 CD LYS A 14 11.730 -9.099 -7.268 1.00 0.00 C ATOM 216 CE LYS A 14 11.807 -8.848 -5.770 1.00 0.00 C ATOM 217 NZ LYS A 14 13.177 -9.069 -5.238 1.00 0.00 N ATOM 0 H LYS A 14 8.159 -5.622 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 14 8.306 -7.858 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.315 -6.911 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.643 -7.443 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.697 -9.787 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.279 -9.288 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.155 -10.077 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.335 -8.359 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.496 -7.825 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.108 -9.507 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.185 -8.887 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.465 -10.052 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.841 -8.422 -5.710 1.00 0.00 H new ATOM 231 N GLY A 15 6.435 -9.107 -8.165 1.00 0.00 N ATOM 232 CA GLY A 15 5.396 -9.937 -7.598 1.00 0.00 C ATOM 233 C GLY A 15 4.245 -10.090 -8.568 1.00 0.00 C ATOM 234 O GLY A 15 3.521 -9.132 -8.830 1.00 0.00 O ATOM 0 H GLY A 15 6.448 -9.087 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.802 -10.918 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.038 -9.496 -6.668 1.00 0.00 H new ATOM 238 N ARG A 16 4.075 -11.289 -9.099 1.00 0.00 N ATOM 239 CA ARG A 16 3.116 -11.528 -10.172 1.00 0.00 C ATOM 240 C ARG A 16 1.677 -11.297 -9.734 1.00 0.00 C ATOM 241 O ARG A 16 0.862 -10.777 -10.503 1.00 0.00 O ATOM 242 CB ARG A 16 3.275 -12.942 -10.716 1.00 0.00 C ATOM 243 CG ARG A 16 4.547 -13.123 -11.519 1.00 0.00 C ATOM 244 CD ARG A 16 4.612 -14.498 -12.147 1.00 0.00 C ATOM 245 NE ARG A 16 5.584 -14.543 -13.233 1.00 0.00 N ATOM 246 CZ ARG A 16 5.320 -15.047 -14.434 1.00 0.00 C ATOM 247 NH1 ARG A 16 4.137 -15.600 -14.671 1.00 0.00 N ATOM 248 NH2 ARG A 16 6.244 -15.011 -15.390 1.00 0.00 N ATOM 0 H ARG A 16 4.590 -12.118 -8.805 1.00 0.00 H new ATOM 0 HA ARG A 16 3.333 -10.805 -10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.271 -13.648 -9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.417 -13.183 -11.344 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.599 -12.363 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.412 -12.976 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.878 -15.234 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.628 -14.773 -12.526 1.00 0.00 H new ATOM 0 HE ARG A 16 6.517 -14.167 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.434 -15.637 -13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.931 -15.988 -15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.157 -14.596 -15.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.040 -15.398 -16.311 1.00 0.00 H new ATOM 262 N GLU A 17 1.359 -11.686 -8.512 1.00 0.00 N ATOM 263 CA GLU A 17 0.020 -11.495 -7.982 1.00 0.00 C ATOM 264 C GLU A 17 -0.130 -10.083 -7.436 1.00 0.00 C ATOM 265 O GLU A 17 -1.245 -9.630 -7.176 1.00 0.00 O ATOM 266 CB GLU A 17 -0.284 -12.502 -6.868 1.00 0.00 C ATOM 267 CG GLU A 17 0.200 -13.914 -7.155 1.00 0.00 C ATOM 268 CD GLU A 17 1.588 -14.177 -6.598 1.00 0.00 C ATOM 269 OE1 GLU A 17 2.542 -13.486 -7.008 1.00 0.00 O ATOM 270 OE2 GLU A 17 1.721 -15.083 -5.748 1.00 0.00 O ATOM 0 H GLU A 17 2.009 -12.136 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.686 -11.653 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.176 -12.153 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.361 -12.526 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.502 -14.629 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.207 -14.081 -8.232 1.00 0.00 H new ATOM 277 N ALA A 18 1.006 -9.398 -7.280 1.00 0.00 N ATOM 278 CA ALA A 18 1.046 -8.083 -6.650 1.00 0.00 C ATOM 279 C ALA A 18 0.405 -8.156 -5.265 1.00 0.00 C ATOM 280 O ALA A 18 -0.299 -7.243 -4.832 1.00 0.00 O ATOM 281 CB ALA A 18 0.361 -7.042 -7.529 1.00 0.00 C ATOM 0 H ALA A 18 1.917 -9.740 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 18 2.085 -7.774 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.402 -6.069 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.870 -6.987 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.680 -7.326 -7.685 1.00 0.00 H new ATOM 287 N GLY A 19 0.703 -9.249 -4.563 1.00 0.00 N ATOM 288 CA GLY A 19 0.057 -9.540 -3.297 1.00 0.00 C ATOM 289 C GLY A 19 0.611 -8.752 -2.127 1.00 0.00 C ATOM 290 O GLY A 19 0.634 -9.246 -1.001 1.00 0.00 O ATOM 0 H GLY A 19 1.389 -9.944 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.009 -9.333 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.158 -10.604 -3.085 1.00 0.00 H new ATOM 294 N SER A 20 1.072 -7.538 -2.387 1.00 0.00 N ATOM 295 CA SER A 20 1.495 -6.646 -1.327 1.00 0.00 C ATOM 296 C SER A 20 1.224 -5.204 -1.732 1.00 0.00 C ATOM 297 O SER A 20 2.038 -4.557 -2.395 1.00 0.00 O ATOM 298 CB SER A 20 2.973 -6.851 -0.991 1.00 0.00 C ATOM 299 OG SER A 20 3.347 -6.122 0.168 1.00 0.00 O ATOM 0 H SER A 20 1.161 -7.151 -3.326 1.00 0.00 H new ATOM 0 HA SER A 20 0.922 -6.874 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.168 -7.912 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.587 -6.535 -1.835 1.00 0.00 H new ATOM 0 HG SER A 20 4.310 -6.223 0.321 1.00 0.00 H new ATOM 305 N LYS A 21 0.055 -4.728 -1.354 1.00 0.00 N ATOM 306 CA LYS A 21 -0.366 -3.372 -1.663 1.00 0.00 C ATOM 307 C LYS A 21 -0.229 -2.499 -0.429 1.00 0.00 C ATOM 308 O LYS A 21 -0.463 -2.955 0.690 1.00 0.00 O ATOM 309 CB LYS A 21 -1.812 -3.374 -2.164 1.00 0.00 C ATOM 310 CG LYS A 21 -1.964 -3.939 -3.568 1.00 0.00 C ATOM 311 CD LYS A 21 -3.214 -4.797 -3.702 1.00 0.00 C ATOM 312 CE LYS A 21 -3.056 -6.117 -2.963 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.234 -7.003 -3.148 1.00 0.00 N ATOM 0 H LYS A 21 -0.630 -5.267 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 21 0.270 -2.967 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.426 -3.957 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.196 -2.354 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.007 -3.120 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.086 -4.535 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.074 -4.256 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.415 -4.989 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.160 -6.626 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.912 -5.922 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.165 -7.813 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.104 -6.470 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.259 -7.347 -4.129 1.00 0.00 H new ATOM 327 N CYS A 22 0.183 -1.257 -0.630 1.00 0.00 N ATOM 328 CA CYS A 22 0.381 -0.331 0.473 1.00 0.00 C ATOM 329 C CYS A 22 0.091 1.092 0.024 1.00 0.00 C ATOM 330 O CYS A 22 0.197 1.410 -1.157 1.00 0.00 O ATOM 331 CB CYS A 22 1.815 -0.428 1.002 1.00 0.00 C ATOM 332 SG CYS A 22 2.278 -2.077 1.583 1.00 0.00 S ATOM 0 H CYS A 22 0.387 -0.867 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.308 -0.598 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.503 -0.126 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.938 0.282 1.820 1.00 0.00 H new ATOM 0 HG CYS A 22 1.235 -2.853 1.563 1.00 0.00 H new ATOM 338 N VAL A 23 -0.274 1.942 0.961 1.00 0.00 N ATOM 339 CA VAL A 23 -0.549 3.338 0.656 1.00 0.00 C ATOM 340 C VAL A 23 0.613 4.209 1.116 1.00 0.00 C ATOM 341 O VAL A 23 1.208 3.949 2.165 1.00 0.00 O ATOM 342 CB VAL A 23 -1.855 3.809 1.340 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.183 5.244 0.963 1.00 0.00 C ATOM 344 CG2 VAL A 23 -3.011 2.887 0.983 1.00 0.00 C ATOM 0 H VAL A 23 -0.388 1.694 1.944 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.671 3.432 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.701 3.769 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.105 5.548 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.370 5.898 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.310 5.317 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.920 3.236 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.158 2.890 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.785 1.874 1.316 1.00 0.00 H new ATOM 354 N ILE A 24 0.964 5.216 0.322 1.00 0.00 N ATOM 355 CA ILE A 24 1.966 6.181 0.743 1.00 0.00 C ATOM 356 C ILE A 24 1.378 7.057 1.840 1.00 0.00 C ATOM 357 O ILE A 24 0.644 8.005 1.566 1.00 0.00 O ATOM 358 CB ILE A 24 2.454 7.072 -0.419 1.00 0.00 C ATOM 359 CG1 ILE A 24 3.007 6.214 -1.560 1.00 0.00 C ATOM 360 CG2 ILE A 24 3.514 8.052 0.076 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.507 7.024 -2.737 1.00 0.00 C ATOM 0 H ILE A 24 0.573 5.382 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 24 2.829 5.625 1.109 1.00 0.00 H new ATOM 0 HB ILE A 24 1.606 7.640 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.823 5.599 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.228 5.533 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.850 8.674 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.089 8.684 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.361 7.498 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.884 6.352 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.689 7.619 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.308 7.686 -2.409 1.00 0.00 H new ATOM 373 N VAL A 25 1.664 6.707 3.077 1.00 0.00 N ATOM 374 CA VAL A 25 1.065 7.393 4.208 1.00 0.00 C ATOM 375 C VAL A 25 1.881 8.617 4.608 1.00 0.00 C ATOM 376 O VAL A 25 1.336 9.602 5.108 1.00 0.00 O ATOM 377 CB VAL A 25 0.901 6.446 5.420 1.00 0.00 C ATOM 378 CG1 VAL A 25 0.013 5.261 5.059 1.00 0.00 C ATOM 379 CG2 VAL A 25 2.253 5.959 5.919 1.00 0.00 C ATOM 0 H VAL A 25 2.305 5.954 3.327 1.00 0.00 H new ATOM 0 HA VAL A 25 0.075 7.724 3.894 1.00 0.00 H new ATOM 0 HB VAL A 25 0.423 7.008 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.090 4.607 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.970 5.622 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.464 4.706 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.109 5.295 6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.763 5.419 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.858 6.813 6.223 1.00 0.00 H new ATOM 389 N ASP A 26 3.179 8.559 4.348 1.00 0.00 N ATOM 390 CA ASP A 26 4.080 9.630 4.738 1.00 0.00 C ATOM 391 C ASP A 26 5.400 9.517 3.981 1.00 0.00 C ATOM 392 O ASP A 26 5.800 8.426 3.567 1.00 0.00 O ATOM 393 CB ASP A 26 4.322 9.588 6.253 1.00 0.00 C ATOM 394 CG ASP A 26 5.277 10.663 6.726 1.00 0.00 C ATOM 395 OD1 ASP A 26 5.100 11.839 6.340 1.00 0.00 O ATOM 396 OD2 ASP A 26 6.203 10.340 7.494 1.00 0.00 O ATOM 0 H ASP A 26 3.631 7.780 3.868 1.00 0.00 H new ATOM 0 HA ASP A 26 3.621 10.586 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.370 9.701 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.719 8.610 6.526 1.00 0.00 H new ATOM 401 N ILE A 27 6.063 10.644 3.790 1.00 0.00 N ATOM 402 CA ILE A 27 7.337 10.672 3.088 1.00 0.00 C ATOM 403 C ILE A 27 8.479 10.836 4.085 1.00 0.00 C ATOM 404 O ILE A 27 8.552 11.840 4.801 1.00 0.00 O ATOM 405 CB ILE A 27 7.378 11.808 2.041 1.00 0.00 C ATOM 406 CG1 ILE A 27 6.199 11.680 1.074 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.695 11.780 1.278 1.00 0.00 C ATOM 408 CD1 ILE A 27 6.126 12.795 0.051 1.00 0.00 C ATOM 0 H ILE A 27 5.740 11.556 4.112 1.00 0.00 H new ATOM 0 HA ILE A 27 7.452 9.725 2.560 1.00 0.00 H new ATOM 0 HB ILE A 27 7.300 12.763 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.270 10.725 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.271 11.663 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.708 12.586 0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.522 11.911 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.799 10.823 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.266 12.637 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.023 13.752 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.037 12.800 -0.548 1.00 0.00 H new ATOM 420 N ILE A 28 9.354 9.843 4.141 1.00 0.00 N ATOM 421 CA ILE A 28 10.457 9.835 5.098 1.00 0.00 C ATOM 422 C ILE A 28 11.631 10.653 4.584 1.00 0.00 C ATOM 423 O ILE A 28 12.058 11.625 5.214 1.00 0.00 O ATOM 424 CB ILE A 28 10.946 8.395 5.371 1.00 0.00 C ATOM 425 CG1 ILE A 28 9.797 7.521 5.874 1.00 0.00 C ATOM 426 CG2 ILE A 28 12.094 8.397 6.374 1.00 0.00 C ATOM 427 CD1 ILE A 28 9.193 8.004 7.175 1.00 0.00 C ATOM 0 H ILE A 28 9.323 9.026 3.532 1.00 0.00 H new ATOM 0 HA ILE A 28 10.080 10.274 6.022 1.00 0.00 H new ATOM 0 HB ILE A 28 11.311 7.976 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.018 7.486 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.159 6.501 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.423 7.373 6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.924 8.981 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.757 8.838 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.384 7.336 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.959 8.012 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.800 9.012 7.042 1.00 0.00 H new ATOM 439 N ASP A 29 12.133 10.251 3.431 1.00 0.00 N ATOM 440 CA ASP A 29 13.312 10.854 2.837 1.00 0.00 C ATOM 441 C ASP A 29 12.935 11.442 1.483 1.00 0.00 C ATOM 442 O ASP A 29 11.758 11.599 1.177 1.00 0.00 O ATOM 443 CB ASP A 29 14.410 9.782 2.687 1.00 0.00 C ATOM 444 CG ASP A 29 15.767 10.335 2.285 1.00 0.00 C ATOM 445 OD1 ASP A 29 16.481 10.865 3.160 1.00 0.00 O ATOM 446 OD2 ASP A 29 16.125 10.237 1.090 1.00 0.00 O ATOM 0 H ASP A 29 11.733 9.494 2.878 1.00 0.00 H new ATOM 0 HA ASP A 29 13.695 11.653 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.513 9.248 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.092 9.053 1.942 1.00 0.00 H new ATOM 451 N ASP A 30 13.925 11.758 0.682 1.00 0.00 N ATOM 452 CA ASP A 30 13.701 12.261 -0.664 1.00 0.00 C ATOM 453 C ASP A 30 13.625 11.089 -1.633 1.00 0.00 C ATOM 454 O ASP A 30 12.974 11.155 -2.675 1.00 0.00 O ATOM 455 CB ASP A 30 14.837 13.210 -1.054 1.00 0.00 C ATOM 456 CG ASP A 30 14.693 13.772 -2.453 1.00 0.00 C ATOM 457 OD1 ASP A 30 13.991 14.793 -2.616 1.00 0.00 O ATOM 458 OD2 ASP A 30 15.312 13.218 -3.384 1.00 0.00 O ATOM 0 H ASP A 30 14.909 11.676 0.939 1.00 0.00 H new ATOM 0 HA ASP A 30 12.761 12.812 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.874 14.034 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.786 12.680 -0.979 1.00 0.00 H new ATOM 463 N ASN A 31 14.286 10.006 -1.258 1.00 0.00 N ATOM 464 CA ASN A 31 14.320 8.803 -2.073 1.00 0.00 C ATOM 465 C ASN A 31 13.430 7.717 -1.465 1.00 0.00 C ATOM 466 O ASN A 31 12.921 6.847 -2.174 1.00 0.00 O ATOM 467 CB ASN A 31 15.767 8.308 -2.188 1.00 0.00 C ATOM 468 CG ASN A 31 15.939 7.160 -3.165 1.00 0.00 C ATOM 469 OD1 ASN A 31 15.855 5.990 -2.796 1.00 0.00 O ATOM 470 ND2 ASN A 31 16.208 7.487 -4.420 1.00 0.00 N ATOM 0 H ASN A 31 14.811 9.936 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 31 13.939 9.034 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 31 16.402 9.137 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 31 16.114 7.992 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.353 6.757 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.270 8.469 -4.689 1.00 0.00 H new ATOM 477 N PHE A 32 13.220 7.795 -0.153 1.00 0.00 N ATOM 478 CA PHE A 32 12.484 6.765 0.575 1.00 0.00 C ATOM 479 C PHE A 32 11.168 7.296 1.134 1.00 0.00 C ATOM 480 O PHE A 32 11.113 8.392 1.693 1.00 0.00 O ATOM 481 CB PHE A 32 13.338 6.224 1.725 1.00 0.00 C ATOM 482 CG PHE A 32 14.544 5.448 1.272 1.00 0.00 C ATOM 483 CD1 PHE A 32 14.463 4.081 1.051 1.00 0.00 C ATOM 484 CD2 PHE A 32 15.756 6.086 1.061 1.00 0.00 C ATOM 485 CE1 PHE A 32 15.567 3.364 0.631 1.00 0.00 C ATOM 486 CE2 PHE A 32 16.865 5.373 0.641 1.00 0.00 C ATOM 487 CZ PHE A 32 16.770 4.013 0.425 1.00 0.00 C ATOM 0 H PHE A 32 13.551 8.564 0.429 1.00 0.00 H new ATOM 0 HA PHE A 32 12.257 5.966 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.666 7.058 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.720 5.583 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.525 3.570 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 32 15.836 7.150 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.490 2.300 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.805 5.881 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.635 3.456 0.095 1.00 0.00 H new ATOM 497 N VAL A 33 10.116 6.504 0.996 1.00 0.00 N ATOM 498 CA VAL A 33 8.810 6.849 1.546 1.00 0.00 C ATOM 499 C VAL A 33 8.339 5.771 2.514 1.00 0.00 C ATOM 500 O VAL A 33 8.959 4.712 2.623 1.00 0.00 O ATOM 501 CB VAL A 33 7.744 7.044 0.441 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.069 8.258 -0.417 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.627 5.795 -0.422 1.00 0.00 C ATOM 0 H VAL A 33 10.140 5.611 0.504 1.00 0.00 H new ATOM 0 HA VAL A 33 8.929 7.796 2.073 1.00 0.00 H new ATOM 0 HB VAL A 33 6.783 7.217 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.306 8.375 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.092 9.150 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.042 8.120 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.872 5.954 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.588 5.587 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.337 4.948 0.201 1.00 0.00 H new ATOM 513 N LEU A 34 7.254 6.047 3.224 1.00 0.00 N ATOM 514 CA LEU A 34 6.694 5.083 4.153 1.00 0.00 C ATOM 515 C LEU A 34 5.382 4.554 3.592 1.00 0.00 C ATOM 516 O LEU A 34 4.422 5.306 3.401 1.00 0.00 O ATOM 517 CB LEU A 34 6.480 5.735 5.533 1.00 0.00 C ATOM 518 CG LEU A 34 6.349 4.770 6.725 1.00 0.00 C ATOM 519 CD1 LEU A 34 6.404 5.538 8.035 1.00 0.00 C ATOM 520 CD2 LEU A 34 5.059 3.968 6.655 1.00 0.00 C ATOM 0 H LEU A 34 6.746 6.930 3.173 1.00 0.00 H new ATOM 0 HA LEU A 34 7.386 4.251 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.315 6.409 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.580 6.348 5.487 1.00 0.00 H new ATOM 0 HG LEU A 34 7.186 4.074 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.310 4.842 8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.355 6.065 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.586 6.258 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.000 3.297 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.207 4.648 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.044 3.383 5.735 1.00 0.00 H new ATOM 532 N VAL A 35 5.355 3.260 3.312 1.00 0.00 N ATOM 533 CA VAL A 35 4.159 2.614 2.802 1.00 0.00 C ATOM 534 C VAL A 35 3.741 1.474 3.724 1.00 0.00 C ATOM 535 O VAL A 35 4.577 0.698 4.188 1.00 0.00 O ATOM 536 CB VAL A 35 4.354 2.079 1.363 1.00 0.00 C ATOM 537 CG1 VAL A 35 4.515 3.230 0.381 1.00 0.00 C ATOM 538 CG2 VAL A 35 5.553 1.143 1.280 1.00 0.00 C ATOM 0 H VAL A 35 6.153 2.635 3.431 1.00 0.00 H new ATOM 0 HA VAL A 35 3.373 3.369 2.772 1.00 0.00 H new ATOM 0 HB VAL A 35 3.462 1.512 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.651 2.834 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.624 3.857 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.386 3.825 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.664 0.784 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.455 1.679 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.400 0.295 1.948 1.00 0.00 H new ATOM 548 N THR A 36 2.453 1.391 4.000 1.00 0.00 N ATOM 549 CA THR A 36 1.925 0.357 4.870 1.00 0.00 C ATOM 550 C THR A 36 0.487 0.028 4.476 1.00 0.00 C ATOM 551 O THR A 36 -0.082 0.676 3.591 1.00 0.00 O ATOM 552 CB THR A 36 1.992 0.789 6.357 1.00 0.00 C ATOM 553 OG1 THR A 36 1.587 -0.285 7.217 1.00 0.00 O ATOM 554 CG2 THR A 36 1.114 2.006 6.622 1.00 0.00 C ATOM 0 H THR A 36 1.750 2.031 3.632 1.00 0.00 H new ATOM 0 HA THR A 36 2.540 -0.535 4.753 1.00 0.00 H new ATOM 0 HB THR A 36 3.028 1.052 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.065 -1.103 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.184 2.283 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.450 2.839 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.079 1.768 6.377 1.00 0.00 H new ATOM 562 N GLY A 37 -0.085 -0.978 5.119 1.00 0.00 N ATOM 563 CA GLY A 37 -1.440 -1.385 4.822 1.00 0.00 C ATOM 564 C GLY A 37 -2.240 -1.588 6.090 1.00 0.00 C ATOM 565 O GLY A 37 -1.707 -2.114 7.069 1.00 0.00 O ATOM 0 H GLY A 37 0.372 -1.525 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.922 -0.629 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.427 -2.310 4.245 1.00 0.00 H new ATOM 569 N PRO A 38 -3.525 -1.187 6.094 1.00 0.00 N ATOM 570 CA PRO A 38 -4.398 -1.254 7.277 1.00 0.00 C ATOM 571 C PRO A 38 -4.332 -2.608 7.976 1.00 0.00 C ATOM 572 O PRO A 38 -4.406 -3.655 7.329 1.00 0.00 O ATOM 573 CB PRO A 38 -5.806 -1.001 6.717 1.00 0.00 C ATOM 574 CG PRO A 38 -5.663 -1.026 5.229 1.00 0.00 C ATOM 575 CD PRO A 38 -4.243 -0.641 4.940 1.00 0.00 C ATOM 0 HA PRO A 38 -4.099 -0.530 8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.505 -1.766 7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.195 -0.041 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.886 -2.017 4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.358 -0.331 4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.889 -1.069 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.123 0.440 4.862 1.00 0.00 H new ATOM 583 N LYS A 39 -4.210 -2.573 9.297 1.00 0.00 N ATOM 584 CA LYS A 39 -3.955 -3.769 10.096 1.00 0.00 C ATOM 585 C LYS A 39 -5.014 -4.849 9.885 1.00 0.00 C ATOM 586 O LYS A 39 -4.699 -5.965 9.476 1.00 0.00 O ATOM 587 CB LYS A 39 -3.892 -3.407 11.582 1.00 0.00 C ATOM 588 CG LYS A 39 -3.560 -4.590 12.474 1.00 0.00 C ATOM 589 CD LYS A 39 -3.722 -4.261 13.951 1.00 0.00 C ATOM 590 CE LYS A 39 -2.808 -3.127 14.393 1.00 0.00 C ATOM 591 NZ LYS A 39 -2.858 -2.922 15.866 1.00 0.00 N ATOM 0 H LYS A 39 -4.285 -1.717 9.846 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.998 -4.172 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.143 -2.629 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.851 -2.988 11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.207 -5.429 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.535 -4.909 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.758 -3.988 14.149 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.508 -5.150 14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.784 -3.346 14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.100 -2.206 13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.223 -2.142 16.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.830 -2.688 16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.556 -3.792 16.348 1.00 0.00 H new ATOM 605 N ASP A 40 -6.263 -4.506 10.160 1.00 0.00 N ATOM 606 CA ASP A 40 -7.343 -5.486 10.152 1.00 0.00 C ATOM 607 C ASP A 40 -7.701 -5.919 8.736 1.00 0.00 C ATOM 608 O ASP A 40 -8.358 -6.941 8.537 1.00 0.00 O ATOM 609 CB ASP A 40 -8.587 -4.913 10.835 1.00 0.00 C ATOM 610 CG ASP A 40 -8.286 -4.305 12.191 1.00 0.00 C ATOM 611 OD1 ASP A 40 -8.314 -5.035 13.205 1.00 0.00 O ATOM 612 OD2 ASP A 40 -8.027 -3.087 12.252 1.00 0.00 O ATOM 0 H ASP A 40 -6.556 -3.557 10.392 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.991 -6.360 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.031 -4.153 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.328 -5.704 10.953 1.00 0.00 H new ATOM 617 N ILE A 41 -7.259 -5.146 7.757 1.00 0.00 N ATOM 618 CA ILE A 41 -7.615 -5.402 6.369 1.00 0.00 C ATOM 619 C ILE A 41 -6.502 -6.155 5.647 1.00 0.00 C ATOM 620 O ILE A 41 -6.734 -7.201 5.043 1.00 0.00 O ATOM 621 CB ILE A 41 -7.924 -4.088 5.622 1.00 0.00 C ATOM 622 CG1 ILE A 41 -9.038 -3.325 6.343 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.315 -4.370 4.175 1.00 0.00 C ATOM 624 CD1 ILE A 41 -9.330 -1.962 5.757 1.00 0.00 C ATOM 0 H ILE A 41 -6.654 -4.337 7.897 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.512 -6.021 6.374 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.025 -3.471 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.949 -3.923 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.764 -3.207 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.529 -3.430 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.494 -4.878 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.202 -5.004 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.131 -1.486 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.433 -1.344 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.637 -2.071 4.717 1.00 0.00 H new ATOM 636 N THR A 42 -5.294 -5.625 5.716 1.00 0.00 N ATOM 637 CA THR A 42 -4.162 -6.230 5.039 1.00 0.00 C ATOM 638 C THR A 42 -3.131 -6.719 6.053 1.00 0.00 C ATOM 639 O THR A 42 -2.827 -7.911 6.112 1.00 0.00 O ATOM 640 CB THR A 42 -3.508 -5.228 4.067 1.00 0.00 C ATOM 641 OG1 THR A 42 -4.529 -4.526 3.340 1.00 0.00 O ATOM 642 CG2 THR A 42 -2.589 -5.943 3.087 1.00 0.00 C ATOM 0 H THR A 42 -5.072 -4.775 6.235 1.00 0.00 H new ATOM 0 HA THR A 42 -4.527 -7.083 4.467 1.00 0.00 H new ATOM 0 HB THR A 42 -2.914 -4.522 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.112 -3.888 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.140 -5.215 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.803 -6.461 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.165 -6.666 2.509 1.00 0.00 H new ATOM 650 N GLY A 43 -2.619 -5.796 6.864 1.00 0.00 N ATOM 651 CA GLY A 43 -1.648 -6.151 7.881 1.00 0.00 C ATOM 652 C GLY A 43 -0.235 -6.233 7.339 1.00 0.00 C ATOM 653 O GLY A 43 0.357 -7.311 7.289 1.00 0.00 O ATOM 0 H GLY A 43 -2.862 -4.806 6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.683 -5.414 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.921 -7.111 8.318 1.00 0.00 H new ATOM 657 N VAL A 44 0.314 -5.094 6.937 1.00 0.00 N ATOM 658 CA VAL A 44 1.673 -5.050 6.416 1.00 0.00 C ATOM 659 C VAL A 44 2.545 -4.121 7.255 1.00 0.00 C ATOM 660 O VAL A 44 2.359 -2.903 7.236 1.00 0.00 O ATOM 661 CB VAL A 44 1.713 -4.583 4.941 1.00 0.00 C ATOM 662 CG1 VAL A 44 3.144 -4.557 4.417 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.848 -5.478 4.068 1.00 0.00 C ATOM 0 H VAL A 44 -0.160 -4.191 6.962 1.00 0.00 H new ATOM 0 HA VAL A 44 2.061 -6.067 6.468 1.00 0.00 H new ATOM 0 HB VAL A 44 1.314 -3.570 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.145 -4.226 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.739 -3.869 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.572 -5.557 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.891 -5.131 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.215 -6.503 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.183 -5.443 4.420 1.00 0.00 H new ATOM 673 N LYS A 45 3.486 -4.698 7.995 1.00 0.00 N ATOM 674 CA LYS A 45 4.421 -3.907 8.790 1.00 0.00 C ATOM 675 C LYS A 45 5.335 -3.106 7.865 1.00 0.00 C ATOM 676 O LYS A 45 5.825 -3.623 6.861 1.00 0.00 O ATOM 677 CB LYS A 45 5.236 -4.810 9.721 1.00 0.00 C ATOM 678 CG LYS A 45 6.183 -4.049 10.635 1.00 0.00 C ATOM 679 CD LYS A 45 6.798 -4.943 11.707 1.00 0.00 C ATOM 680 CE LYS A 45 7.612 -6.085 11.117 1.00 0.00 C ATOM 681 NZ LYS A 45 6.797 -7.310 10.893 1.00 0.00 N ATOM 0 H LYS A 45 3.622 -5.707 8.061 1.00 0.00 H new ATOM 0 HA LYS A 45 3.859 -3.211 9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.552 -5.400 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.812 -5.512 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.978 -3.601 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.644 -3.231 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.437 -4.342 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.005 -5.352 12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.048 -5.765 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.440 -6.321 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.274 -8.128 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.860 -7.188 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.686 -7.471 9.872 1.00 0.00 H new ATOM 695 N ARG A 46 5.562 -1.847 8.210 1.00 0.00 N ATOM 696 CA ARG A 46 6.203 -0.915 7.292 1.00 0.00 C ATOM 697 C ARG A 46 7.729 -0.996 7.349 1.00 0.00 C ATOM 698 O ARG A 46 8.314 -1.331 8.383 1.00 0.00 O ATOM 699 CB ARG A 46 5.739 0.524 7.572 1.00 0.00 C ATOM 700 CG ARG A 46 6.571 1.288 8.603 1.00 0.00 C ATOM 701 CD ARG A 46 6.449 0.725 10.014 1.00 0.00 C ATOM 702 NE ARG A 46 7.196 1.537 10.969 1.00 0.00 N ATOM 703 CZ ARG A 46 7.455 1.182 12.226 1.00 0.00 C ATOM 704 NH1 ARG A 46 7.069 -0.001 12.690 1.00 0.00 N ATOM 705 NH2 ARG A 46 8.096 2.022 13.022 1.00 0.00 N ATOM 0 H ARG A 46 5.313 -1.448 9.115 1.00 0.00 H new ATOM 0 HA ARG A 46 5.900 -1.203 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.750 1.081 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.704 0.495 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.618 1.268 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.260 2.333 8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.399 0.689 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.821 -0.299 10.034 1.00 0.00 H new ATOM 0 HE ARG A 46 7.545 2.441 10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.568 -0.649 12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.273 -0.262 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.388 2.934 12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.298 1.757 13.986 1.00 0.00 H new ATOM 719 N ARG A 47 8.349 -0.711 6.211 1.00 0.00 N ATOM 720 CA ARG A 47 9.792 -0.537 6.104 1.00 0.00 C ATOM 721 C ARG A 47 10.079 0.561 5.087 1.00 0.00 C ATOM 722 O ARG A 47 9.204 0.912 4.294 1.00 0.00 O ATOM 723 CB ARG A 47 10.492 -1.840 5.690 1.00 0.00 C ATOM 724 CG ARG A 47 10.739 -2.801 6.846 1.00 0.00 C ATOM 725 CD ARG A 47 11.635 -3.963 6.437 1.00 0.00 C ATOM 726 NE ARG A 47 10.941 -4.949 5.609 1.00 0.00 N ATOM 727 CZ ARG A 47 11.551 -5.756 4.738 1.00 0.00 C ATOM 728 NH1 ARG A 47 12.861 -5.652 4.532 1.00 0.00 N ATOM 729 NH2 ARG A 47 10.852 -6.672 4.076 1.00 0.00 N ATOM 0 H ARG A 47 7.858 -0.593 5.325 1.00 0.00 H new ATOM 0 HA ARG A 47 10.184 -0.257 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.887 -2.342 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.446 -1.596 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.199 -2.262 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.786 -3.187 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.496 -3.577 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.019 -4.452 7.332 1.00 0.00 H new ATOM 0 HE ARG A 47 9.928 -5.025 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.403 -4.954 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.323 -6.271 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.848 -6.759 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.320 -7.288 3.411 1.00 0.00 H new ATOM 743 N ARG A 48 11.284 1.113 5.125 1.00 0.00 N ATOM 744 CA ARG A 48 11.669 2.171 4.196 1.00 0.00 C ATOM 745 C ARG A 48 11.794 1.636 2.774 1.00 0.00 C ATOM 746 O ARG A 48 12.702 0.863 2.469 1.00 0.00 O ATOM 747 CB ARG A 48 12.991 2.811 4.630 1.00 0.00 C ATOM 748 CG ARG A 48 12.847 3.797 5.776 1.00 0.00 C ATOM 749 CD ARG A 48 14.205 4.182 6.342 1.00 0.00 C ATOM 750 NE ARG A 48 14.123 5.316 7.265 1.00 0.00 N ATOM 751 CZ ARG A 48 13.623 5.253 8.502 1.00 0.00 C ATOM 752 NH1 ARG A 48 13.148 4.108 8.980 1.00 0.00 N ATOM 753 NH2 ARG A 48 13.608 6.339 9.264 1.00 0.00 N ATOM 0 H ARG A 48 12.012 0.847 5.788 1.00 0.00 H new ATOM 0 HA ARG A 48 10.885 2.928 4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.685 2.024 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.434 3.323 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.328 4.690 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.233 3.358 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.636 3.325 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.880 4.431 5.523 1.00 0.00 H new ATOM 0 HE ARG A 48 14.472 6.218 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.163 3.268 8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.768 4.069 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.978 7.219 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.227 6.294 10.209 1.00 0.00 H new ATOM 767 N VAL A 49 10.872 2.045 1.917 1.00 0.00 N ATOM 768 CA VAL A 49 10.893 1.645 0.519 1.00 0.00 C ATOM 769 C VAL A 49 11.155 2.863 -0.354 1.00 0.00 C ATOM 770 O VAL A 49 10.630 3.946 -0.088 1.00 0.00 O ATOM 771 CB VAL A 49 9.560 0.984 0.097 1.00 0.00 C ATOM 772 CG1 VAL A 49 9.604 0.525 -1.352 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.230 -0.184 1.010 1.00 0.00 C ATOM 0 H VAL A 49 10.096 2.657 2.167 1.00 0.00 H new ATOM 0 HA VAL A 49 11.689 0.912 0.389 1.00 0.00 H new ATOM 0 HB VAL A 49 8.775 1.734 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.652 0.065 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.785 1.383 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.406 -0.202 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.289 -0.636 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.026 -0.927 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.138 0.171 2.036 1.00 0.00 H new ATOM 783 N ASN A 50 11.981 2.701 -1.378 1.00 0.00 N ATOM 784 CA ASN A 50 12.307 3.808 -2.259 1.00 0.00 C ATOM 785 C ASN A 50 11.306 3.909 -3.401 1.00 0.00 C ATOM 786 O ASN A 50 10.634 2.938 -3.743 1.00 0.00 O ATOM 787 CB ASN A 50 13.742 3.699 -2.800 1.00 0.00 C ATOM 788 CG ASN A 50 14.023 2.444 -3.611 1.00 0.00 C ATOM 789 OD1 ASN A 50 13.161 1.910 -4.309 1.00 0.00 O ATOM 790 ND2 ASN A 50 15.256 1.972 -3.532 1.00 0.00 N ATOM 0 H ASN A 50 12.434 1.819 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 50 12.246 4.722 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.948 4.570 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.436 3.735 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.518 1.140 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.945 2.440 -2.943 1.00 0.00 H new ATOM 797 N ILE A 51 11.221 5.089 -3.989 1.00 0.00 N ATOM 798 CA ILE A 51 10.264 5.355 -5.049 1.00 0.00 C ATOM 799 C ILE A 51 10.782 4.906 -6.413 1.00 0.00 C ATOM 800 O ILE A 51 10.187 5.210 -7.447 1.00 0.00 O ATOM 801 CB ILE A 51 9.914 6.853 -5.097 1.00 0.00 C ATOM 802 CG1 ILE A 51 11.185 7.695 -5.266 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.167 7.257 -3.835 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.924 9.183 -5.376 1.00 0.00 C ATOM 0 H ILE A 51 11.810 5.886 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 51 9.368 4.778 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 51 9.268 7.035 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.845 7.513 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.714 7.362 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.925 8.319 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.247 6.678 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.793 7.064 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.871 9.711 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.290 9.378 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.423 9.532 -4.473 1.00 0.00 H new ATOM 816 N LEU A 52 11.885 4.170 -6.413 1.00 0.00 N ATOM 817 CA LEU A 52 12.480 3.692 -7.654 1.00 0.00 C ATOM 818 C LEU A 52 12.012 2.280 -7.969 1.00 0.00 C ATOM 819 O LEU A 52 11.866 1.908 -9.131 1.00 0.00 O ATOM 820 CB LEU A 52 14.013 3.730 -7.584 1.00 0.00 C ATOM 821 CG LEU A 52 14.662 5.101 -7.827 1.00 0.00 C ATOM 822 CD1 LEU A 52 14.281 5.639 -9.197 1.00 0.00 C ATOM 823 CD2 LEU A 52 14.275 6.092 -6.737 1.00 0.00 C ATOM 0 H LEU A 52 12.385 3.891 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 52 12.153 4.358 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.321 3.373 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.408 3.027 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 52 15.744 4.970 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.751 6.611 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.621 4.947 -9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.198 5.746 -9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.749 7.054 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.192 6.216 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.607 5.716 -5.769 1.00 0.00 H new ATOM 835 N HIS A 53 11.769 1.496 -6.927 1.00 0.00 N ATOM 836 CA HIS A 53 11.308 0.122 -7.099 1.00 0.00 C ATOM 837 C HIS A 53 9.842 0.001 -6.706 1.00 0.00 C ATOM 838 O HIS A 53 9.352 -1.087 -6.409 1.00 0.00 O ATOM 839 CB HIS A 53 12.157 -0.845 -6.266 1.00 0.00 C ATOM 840 CG HIS A 53 13.554 -1.019 -6.776 1.00 0.00 C ATOM 841 ND1 HIS A 53 13.881 -1.902 -7.779 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.712 -0.417 -6.418 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.176 -1.843 -8.012 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.707 -0.947 -7.201 1.00 0.00 N ATOM 0 H HIS A 53 11.883 1.786 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 53 11.415 -0.143 -8.151 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.198 -0.484 -5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.665 -1.817 -6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.831 0.340 -5.657 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.713 -2.429 -8.743 1.00 0.00 H new ATOM 0 HE2 HIS A 53 16.694 -0.691 -7.163 1.00 0.00 H new ATOM 853 N LEU A 54 9.151 1.129 -6.727 1.00 0.00 N ATOM 854 CA LEU A 54 7.752 1.182 -6.337 1.00 0.00 C ATOM 855 C LEU A 54 6.949 1.954 -7.377 1.00 0.00 C ATOM 856 O LEU A 54 7.314 3.072 -7.745 1.00 0.00 O ATOM 857 CB LEU A 54 7.620 1.853 -4.967 1.00 0.00 C ATOM 858 CG LEU A 54 6.208 1.881 -4.381 1.00 0.00 C ATOM 859 CD1 LEU A 54 5.722 0.471 -4.088 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.176 2.732 -3.122 1.00 0.00 C ATOM 0 H LEU A 54 9.541 2.027 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 54 7.361 0.166 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.276 1.338 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.982 2.878 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 54 5.537 2.326 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.716 0.512 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.709 -0.109 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.392 -0.003 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.165 2.743 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.859 2.314 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.481 3.750 -3.363 1.00 0.00 H new ATOM 872 N GLU A 55 5.869 1.355 -7.860 1.00 0.00 N ATOM 873 CA GLU A 55 5.004 2.013 -8.824 1.00 0.00 C ATOM 874 C GLU A 55 3.612 2.216 -8.233 1.00 0.00 C ATOM 875 O GLU A 55 3.102 1.348 -7.518 1.00 0.00 O ATOM 876 CB GLU A 55 4.929 1.213 -10.127 1.00 0.00 C ATOM 877 CG GLU A 55 6.253 1.164 -10.876 1.00 0.00 C ATOM 878 CD GLU A 55 6.130 0.566 -12.262 1.00 0.00 C ATOM 879 OE1 GLU A 55 6.112 -0.676 -12.384 1.00 0.00 O ATOM 880 OE2 GLU A 55 6.060 1.339 -13.243 1.00 0.00 O ATOM 0 H GLU A 55 5.573 0.415 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 55 5.428 2.990 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.607 0.196 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.169 1.653 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.655 2.174 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.969 0.581 -10.297 1.00 0.00 H new ATOM 887 N PRO A 56 2.984 3.368 -8.513 1.00 0.00 N ATOM 888 CA PRO A 56 1.700 3.737 -7.926 1.00 0.00 C ATOM 889 C PRO A 56 0.517 3.043 -8.593 1.00 0.00 C ATOM 890 O PRO A 56 0.505 2.819 -9.804 1.00 0.00 O ATOM 891 CB PRO A 56 1.616 5.258 -8.149 1.00 0.00 C ATOM 892 CG PRO A 56 2.881 5.657 -8.842 1.00 0.00 C ATOM 893 CD PRO A 56 3.464 4.406 -9.428 1.00 0.00 C ATOM 0 HA PRO A 56 1.647 3.439 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.746 5.514 -8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.511 5.784 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.680 6.392 -9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.578 6.117 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.119 4.238 -10.448 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.553 4.444 -9.462 1.00 0.00 H new ATOM 901 N THR A 57 -0.475 2.708 -7.786 1.00 0.00 N ATOM 902 CA THR A 57 -1.713 2.128 -8.275 1.00 0.00 C ATOM 903 C THR A 57 -2.648 3.249 -8.735 1.00 0.00 C ATOM 904 O THR A 57 -2.427 4.411 -8.408 1.00 0.00 O ATOM 905 CB THR A 57 -2.384 1.297 -7.163 1.00 0.00 C ATOM 906 OG1 THR A 57 -1.390 0.517 -6.488 1.00 0.00 O ATOM 907 CG2 THR A 57 -3.452 0.369 -7.727 1.00 0.00 C ATOM 0 H THR A 57 -0.445 2.831 -6.774 1.00 0.00 H new ATOM 0 HA THR A 57 -1.498 1.469 -9.116 1.00 0.00 H new ATOM 0 HB THR A 57 -2.864 1.986 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.814 -0.011 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.904 -0.201 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.220 0.959 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.998 -0.316 -8.443 1.00 0.00 H new ATOM 915 N ASP A 58 -3.676 2.901 -9.496 1.00 0.00 N ATOM 916 CA ASP A 58 -4.585 3.892 -10.078 1.00 0.00 C ATOM 917 C ASP A 58 -5.378 4.642 -9.007 1.00 0.00 C ATOM 918 O ASP A 58 -5.755 5.795 -9.199 1.00 0.00 O ATOM 919 CB ASP A 58 -5.567 3.213 -11.038 1.00 0.00 C ATOM 920 CG ASP A 58 -4.879 2.293 -12.022 1.00 0.00 C ATOM 921 OD1 ASP A 58 -4.486 2.753 -13.111 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.731 1.094 -11.707 1.00 0.00 O ATOM 0 H ASP A 58 -3.906 1.935 -9.729 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.968 4.611 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.296 2.643 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.120 3.976 -11.586 1.00 0.00 H new ATOM 927 N LYS A 59 -5.631 3.983 -7.883 1.00 0.00 N ATOM 928 CA LYS A 59 -6.494 4.544 -6.845 1.00 0.00 C ATOM 929 C LYS A 59 -5.714 5.405 -5.850 1.00 0.00 C ATOM 930 O LYS A 59 -4.551 5.131 -5.544 1.00 0.00 O ATOM 931 CB LYS A 59 -7.232 3.429 -6.092 1.00 0.00 C ATOM 932 CG LYS A 59 -8.474 2.890 -6.799 1.00 0.00 C ATOM 933 CD LYS A 59 -8.157 2.302 -8.168 1.00 0.00 C ATOM 934 CE LYS A 59 -9.394 1.695 -8.813 1.00 0.00 C ATOM 935 NZ LYS A 59 -9.162 1.322 -10.235 1.00 0.00 N ATOM 0 H LYS A 59 -5.253 3.061 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.218 5.184 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.540 2.604 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.524 3.804 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.939 2.125 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.201 3.694 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.753 3.081 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.386 1.538 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.697 0.811 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.218 2.407 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.031 0.913 -10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.898 2.169 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.394 0.623 -10.290 1.00 0.00 H new ATOM 949 N LYS A 60 -6.376 6.441 -5.345 1.00 0.00 N ATOM 950 CA LYS A 60 -5.802 7.331 -4.344 1.00 0.00 C ATOM 951 C LYS A 60 -6.892 7.843 -3.408 1.00 0.00 C ATOM 952 O LYS A 60 -7.943 8.298 -3.864 1.00 0.00 O ATOM 953 CB LYS A 60 -5.118 8.536 -5.004 1.00 0.00 C ATOM 954 CG LYS A 60 -4.661 9.577 -3.987 1.00 0.00 C ATOM 955 CD LYS A 60 -4.383 10.932 -4.619 1.00 0.00 C ATOM 956 CE LYS A 60 -4.156 11.994 -3.550 1.00 0.00 C ATOM 957 NZ LYS A 60 -4.103 13.363 -4.126 1.00 0.00 N ATOM 0 H LYS A 60 -7.327 6.687 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.062 6.761 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.258 8.192 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.808 9.000 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.426 9.689 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.759 9.221 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.506 10.865 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.222 11.221 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.957 11.942 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.224 11.786 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.119 13.701 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.464 13.344 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.688 14.004 -3.553 1.00 0.00 H new ATOM 971 N ILE A 61 -6.642 7.768 -2.108 1.00 0.00 N ATOM 972 CA ILE A 61 -7.521 8.387 -1.130 1.00 0.00 C ATOM 973 C ILE A 61 -6.940 9.735 -0.709 1.00 0.00 C ATOM 974 O ILE A 61 -5.878 9.804 -0.096 1.00 0.00 O ATOM 975 CB ILE A 61 -7.753 7.489 0.110 1.00 0.00 C ATOM 976 CG1 ILE A 61 -6.425 6.978 0.682 1.00 0.00 C ATOM 977 CG2 ILE A 61 -8.661 6.325 -0.251 1.00 0.00 C ATOM 978 CD1 ILE A 61 -6.575 6.152 1.945 1.00 0.00 C ATOM 0 H ILE A 61 -5.838 7.285 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.494 8.530 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.237 8.090 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.922 6.377 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.780 7.831 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.818 5.700 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.620 6.707 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.197 5.733 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.592 5.828 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.048 6.755 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.193 5.278 1.737 1.00 0.00 H new ATOM 990 N ASP A 62 -7.622 10.808 -1.077 1.00 0.00 N ATOM 991 CA ASP A 62 -7.103 12.152 -0.847 1.00 0.00 C ATOM 992 C ASP A 62 -7.286 12.559 0.606 1.00 0.00 C ATOM 993 O ASP A 62 -8.387 12.917 1.032 1.00 0.00 O ATOM 994 CB ASP A 62 -7.790 13.161 -1.770 1.00 0.00 C ATOM 995 CG ASP A 62 -7.055 14.488 -1.827 1.00 0.00 C ATOM 996 OD1 ASP A 62 -6.143 14.625 -2.670 1.00 0.00 O ATOM 997 OD2 ASP A 62 -7.389 15.401 -1.044 1.00 0.00 O ATOM 0 H ASP A 62 -8.533 10.778 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.036 12.145 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.858 12.743 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.810 13.329 -1.425 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.208 12.475 1.366 1.00 0.00 N ATOM 1003 CA ILE A 63 -6.231 12.791 2.784 1.00 0.00 C ATOM 1004 C ILE A 63 -5.036 13.659 3.153 1.00 0.00 C ATOM 1005 O ILE A 63 -4.247 14.040 2.287 1.00 0.00 O ATOM 1006 CB ILE A 63 -6.211 11.509 3.645 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -5.051 10.595 3.223 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -7.542 10.774 3.548 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -5.009 9.281 3.974 1.00 0.00 C ATOM 0 H ILE A 63 -5.293 12.186 1.019 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.155 13.333 2.984 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.059 11.796 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.130 10.391 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.110 11.122 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.506 9.874 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.343 11.423 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.731 10.498 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.164 8.688 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.898 9.475 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.935 8.732 3.799 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.915 13.971 4.435 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.791 14.755 4.932 1.00 0.00 C ATOM 1023 C GLN A 64 -2.525 13.906 4.991 1.00 0.00 C ATOM 1024 O GLN A 64 -2.595 12.678 5.098 1.00 0.00 O ATOM 1025 CB GLN A 64 -4.107 15.322 6.316 1.00 0.00 C ATOM 1026 CG GLN A 64 -4.525 14.270 7.335 1.00 0.00 C ATOM 1027 CD GLN A 64 -4.836 14.868 8.692 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -5.274 16.016 8.794 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -4.626 14.096 9.746 1.00 0.00 N ATOM 0 H GLN A 64 -5.584 13.693 5.153 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.622 15.582 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.229 15.848 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.904 16.059 6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.403 13.739 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.728 13.534 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.262 13.151 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.828 14.446 10.683 1.00 0.00 H new ATOM 1038 N LYS A 65 -1.376 14.562 4.917 1.00 0.00 N ATOM 1039 CA LYS A 65 -0.098 13.870 4.987 1.00 0.00 C ATOM 1040 C LYS A 65 0.117 13.327 6.394 1.00 0.00 C ATOM 1041 O LYS A 65 -0.045 14.050 7.379 1.00 0.00 O ATOM 1042 CB LYS A 65 1.044 14.812 4.589 1.00 0.00 C ATOM 1043 CG LYS A 65 2.391 14.114 4.445 1.00 0.00 C ATOM 1044 CD LYS A 65 3.446 15.036 3.848 1.00 0.00 C ATOM 1045 CE LYS A 65 3.853 16.138 4.815 1.00 0.00 C ATOM 1046 NZ LYS A 65 4.541 15.597 6.015 1.00 0.00 N ATOM 0 H LYS A 65 -1.303 15.574 4.808 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.107 13.035 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.792 15.295 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.131 15.600 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.725 13.764 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.278 13.233 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.324 14.452 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.061 15.482 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.511 16.842 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.968 16.695 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.022 16.370 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.842 15.155 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.242 14.886 5.723 1.00 0.00 H new ATOM 1060 N GLY A 66 0.469 12.055 6.483 1.00 0.00 N ATOM 1061 CA GLY A 66 0.555 11.398 7.768 1.00 0.00 C ATOM 1062 C GLY A 66 -0.633 10.491 7.982 1.00 0.00 C ATOM 1063 O GLY A 66 -1.350 10.601 8.980 1.00 0.00 O ATOM 0 H GLY A 66 0.698 11.464 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.477 10.819 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.597 12.144 8.562 1.00 0.00 H new ATOM 1067 N ALA A 67 -0.845 9.599 7.026 1.00 0.00 N ATOM 1068 CA ALA A 67 -1.991 8.706 7.044 1.00 0.00 C ATOM 1069 C ALA A 67 -1.788 7.567 8.032 1.00 0.00 C ATOM 1070 O ALA A 67 -0.915 6.721 7.853 1.00 0.00 O ATOM 1071 CB ALA A 67 -2.256 8.159 5.650 1.00 0.00 C ATOM 0 H ALA A 67 -0.231 9.475 6.221 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.859 9.279 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.117 7.492 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.459 8.984 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.382 7.608 5.303 1.00 0.00 H new ATOM 1077 N SER A 68 -2.585 7.560 9.080 1.00 0.00 N ATOM 1078 CA SER A 68 -2.525 6.498 10.067 1.00 0.00 C ATOM 1079 C SER A 68 -3.412 5.329 9.646 1.00 0.00 C ATOM 1080 O SER A 68 -4.236 5.468 8.737 1.00 0.00 O ATOM 1081 CB SER A 68 -2.970 7.038 11.424 1.00 0.00 C ATOM 1082 OG SER A 68 -2.329 8.272 11.703 1.00 0.00 O ATOM 0 H SER A 68 -3.284 8.278 9.272 1.00 0.00 H new ATOM 0 HA SER A 68 -1.499 6.139 10.142 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.051 7.174 11.431 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.735 6.315 12.205 1.00 0.00 H new ATOM 0 HG SER A 68 -2.626 8.605 12.575 1.00 0.00 H new ATOM 1088 N ASP A 69 -3.238 4.185 10.308 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.068 2.999 10.064 1.00 0.00 C ATOM 1090 C ASP A 69 -5.549 3.358 10.162 1.00 0.00 C ATOM 1091 O ASP A 69 -6.370 2.891 9.377 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.710 1.898 11.075 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.716 0.758 11.113 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.719 -0.080 10.188 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.506 0.692 12.081 1.00 0.00 O ATOM 0 H ASP A 69 -2.524 4.052 11.024 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.874 2.629 9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.727 1.496 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.635 2.339 12.069 1.00 0.00 H new ATOM 1100 N GLU A 70 -5.861 4.224 11.114 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.218 4.717 11.318 1.00 0.00 C ATOM 1102 C GLU A 70 -7.748 5.436 10.081 1.00 0.00 C ATOM 1103 O GLU A 70 -8.816 5.111 9.564 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.207 5.702 12.480 1.00 0.00 C ATOM 1105 CG GLU A 70 -8.566 6.276 12.822 1.00 0.00 C ATOM 1106 CD GLU A 70 -8.456 7.544 13.636 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -8.198 8.611 13.042 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -8.619 7.480 14.866 1.00 0.00 O ATOM 0 H GLU A 70 -5.180 4.607 11.770 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.864 3.864 11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.804 5.202 13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.529 6.521 12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.114 6.482 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.142 5.537 13.378 1.00 0.00 H new ATOM 1115 N GLU A 71 -6.973 6.399 9.616 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.377 7.256 8.504 1.00 0.00 C ATOM 1117 C GLU A 71 -7.571 6.438 7.234 1.00 0.00 C ATOM 1118 O GLU A 71 -8.582 6.578 6.544 1.00 0.00 O ATOM 1119 CB GLU A 71 -6.320 8.336 8.277 1.00 0.00 C ATOM 1120 CG GLU A 71 -6.759 9.450 7.338 1.00 0.00 C ATOM 1121 CD GLU A 71 -7.942 10.235 7.873 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -7.991 10.488 9.091 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -8.820 10.616 7.073 1.00 0.00 O ATOM 0 H GLU A 71 -6.049 6.613 9.993 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.327 7.727 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.050 8.772 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.421 7.870 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.923 10.129 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.020 9.022 6.370 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.600 5.579 6.938 1.00 0.00 N ATOM 1131 CA VAL A 72 -6.667 4.729 5.757 1.00 0.00 C ATOM 1132 C VAL A 72 -7.870 3.793 5.841 1.00 0.00 C ATOM 1133 O VAL A 72 -8.553 3.554 4.847 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.374 3.896 5.583 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.460 2.999 4.353 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.161 4.810 5.496 1.00 0.00 C ATOM 0 H VAL A 72 -5.758 5.454 7.500 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.774 5.382 4.891 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.264 3.255 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.538 2.426 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.303 2.316 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.601 3.613 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.260 4.209 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.270 5.478 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.083 5.399 6.410 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.137 3.295 7.041 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.225 2.353 7.264 1.00 0.00 C ATOM 1148 C LYS A 73 -10.574 3.010 6.981 1.00 0.00 C ATOM 1149 O LYS A 73 -11.436 2.420 6.327 1.00 0.00 O ATOM 1150 CB LYS A 73 -9.166 1.858 8.705 1.00 0.00 C ATOM 1151 CG LYS A 73 -9.898 0.550 8.962 1.00 0.00 C ATOM 1152 CD LYS A 73 -9.637 0.049 10.377 1.00 0.00 C ATOM 1153 CE LYS A 73 -8.141 -0.045 10.663 1.00 0.00 C ATOM 1154 NZ LYS A 73 -7.851 -0.474 12.056 1.00 0.00 N ATOM 0 H LYS A 73 -7.610 3.531 7.882 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.115 1.509 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.121 1.735 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.585 2.626 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.968 0.693 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.574 -0.200 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.106 0.721 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.097 -0.930 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.686 -0.750 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.679 0.925 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.863 -0.250 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.484 0.026 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.003 -1.499 12.142 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.740 4.233 7.472 1.00 0.00 N ATOM 1169 CA LYS A 74 -11.971 4.992 7.265 1.00 0.00 C ATOM 1170 C LYS A 74 -12.227 5.217 5.776 1.00 0.00 C ATOM 1171 O LYS A 74 -13.272 4.833 5.242 1.00 0.00 O ATOM 1172 CB LYS A 74 -11.880 6.357 7.956 1.00 0.00 C ATOM 1173 CG LYS A 74 -11.776 6.303 9.471 1.00 0.00 C ATOM 1174 CD LYS A 74 -11.592 7.699 10.041 1.00 0.00 C ATOM 1175 CE LYS A 74 -11.592 7.706 11.559 1.00 0.00 C ATOM 1176 NZ LYS A 74 -11.369 9.076 12.091 1.00 0.00 N ATOM 0 H LYS A 74 -10.033 4.724 8.020 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.790 4.414 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.012 6.888 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.759 6.943 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.675 5.849 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.937 5.671 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.653 8.116 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.390 8.346 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.543 7.321 11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.813 7.039 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.074 9.282 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.414 9.139 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.462 9.767 11.320 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.255 5.828 5.116 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.408 6.251 3.728 1.00 0.00 C ATOM 1192 C LYS A 75 -11.443 5.068 2.762 1.00 0.00 C ATOM 1193 O LYS A 75 -12.087 5.141 1.715 1.00 0.00 O ATOM 1194 CB LYS A 75 -10.298 7.240 3.351 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.647 8.688 3.684 1.00 0.00 C ATOM 1196 CD LYS A 75 -11.003 8.862 5.156 1.00 0.00 C ATOM 1197 CE LYS A 75 -11.591 10.237 5.441 1.00 0.00 C ATOM 1198 NZ LYS A 75 -10.596 11.323 5.267 1.00 0.00 N ATOM 0 H LYS A 75 -10.344 6.044 5.521 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.372 6.753 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.382 6.964 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.094 7.158 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.803 9.331 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.486 9.011 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.718 8.094 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.111 8.716 5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.437 10.413 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.976 10.261 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.922 12.176 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.681 11.022 5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.486 11.534 4.255 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.773 3.978 3.113 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.819 2.775 2.290 1.00 0.00 C ATOM 1214 C LEU A 76 -12.211 2.157 2.343 1.00 0.00 C ATOM 1215 O LEU A 76 -12.721 1.662 1.336 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.770 1.756 2.747 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.651 0.502 1.878 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.246 0.872 0.460 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.647 -0.469 2.484 1.00 0.00 C ATOM 0 H LEU A 76 -10.198 3.901 3.952 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.593 3.057 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.798 2.249 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.005 1.450 3.766 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.625 0.014 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.166 -0.032 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.998 1.532 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.283 1.382 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.573 -1.356 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.671 0.011 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.977 -0.758 3.482 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.828 2.215 3.519 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.179 1.711 3.703 1.00 0.00 C ATOM 1233 C GLU A 77 -15.143 2.528 2.846 1.00 0.00 C ATOM 1234 O GLU A 77 -15.998 1.975 2.157 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.560 1.780 5.188 1.00 0.00 C ATOM 1236 CG GLU A 77 -15.466 0.649 5.663 1.00 0.00 C ATOM 1237 CD GLU A 77 -16.929 0.853 5.320 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -17.361 0.412 4.236 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -17.657 1.448 6.145 1.00 0.00 O ATOM 0 H GLU A 77 -12.409 2.609 4.361 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.235 0.669 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.648 1.772 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.057 2.731 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.126 -0.287 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.367 0.545 6.744 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.965 3.849 2.859 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.783 4.747 2.042 1.00 0.00 C ATOM 1248 C GLU A 78 -15.597 4.465 0.553 1.00 0.00 C ATOM 1249 O GLU A 78 -16.542 4.554 -0.231 1.00 0.00 O ATOM 1250 CB GLU A 78 -15.431 6.212 2.322 1.00 0.00 C ATOM 1251 CG GLU A 78 -15.785 6.686 3.723 1.00 0.00 C ATOM 1252 CD GLU A 78 -15.612 8.185 3.883 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -16.531 8.938 3.498 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -14.552 8.623 4.383 1.00 0.00 O ATOM 0 H GLU A 78 -14.261 4.322 3.426 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.824 4.567 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.362 6.353 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.947 6.842 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.817 6.415 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.156 6.170 4.449 1.00 0.00 H new ATOM 1261 N SER A 79 -14.374 4.128 0.166 1.00 0.00 N ATOM 1262 CA SER A 79 -14.055 3.876 -1.234 1.00 0.00 C ATOM 1263 C SER A 79 -14.627 2.536 -1.701 1.00 0.00 C ATOM 1264 O SER A 79 -14.843 2.339 -2.896 1.00 0.00 O ATOM 1265 CB SER A 79 -12.534 3.904 -1.443 1.00 0.00 C ATOM 1266 OG SER A 79 -12.196 3.815 -2.819 1.00 0.00 O ATOM 0 H SER A 79 -13.584 4.022 0.803 1.00 0.00 H new ATOM 0 HA SER A 79 -14.513 4.664 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.125 4.824 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.076 3.077 -0.901 1.00 0.00 H new ATOM 0 HG SER A 79 -11.221 3.837 -2.919 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.860 1.629 -0.749 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.414 0.292 -1.031 1.00 0.00 C ATOM 1274 C ASN A 80 -14.397 -0.592 -1.757 1.00 0.00 C ATOM 1275 O ASN A 80 -14.741 -1.650 -2.284 1.00 0.00 O ATOM 1276 CB ASN A 80 -16.714 0.374 -1.854 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.890 0.959 -1.087 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.963 0.696 0.212 1.00 0.00 O flip ATOM 1279 ND2 ASN A 80 -18.745 1.633 -1.666 1.00 0.00 N flip ATOM 0 H ASN A 80 -14.672 1.795 0.240 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.646 -0.159 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.533 0.980 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.978 -0.626 -2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.659 1.817 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -19.538 2.007 -1.145 1.00 0.00 H new ATOM 1286 N LEU A 81 -13.137 -0.171 -1.750 1.00 0.00 N ATOM 1287 CA LEU A 81 -12.065 -0.933 -2.396 1.00 0.00 C ATOM 1288 C LEU A 81 -11.350 -1.820 -1.383 1.00 0.00 C ATOM 1289 O LEU A 81 -10.250 -2.312 -1.633 1.00 0.00 O ATOM 1290 CB LEU A 81 -11.058 0.011 -3.071 1.00 0.00 C ATOM 1291 CG LEU A 81 -11.312 0.305 -4.556 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -11.250 -0.974 -5.375 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -12.652 0.995 -4.758 1.00 0.00 C ATOM 0 H LEU A 81 -12.829 0.694 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.516 -1.567 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.054 0.956 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.061 -0.419 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.527 0.979 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.433 -0.743 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.264 -1.426 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.009 -1.671 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.804 1.191 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.451 0.352 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.662 1.937 -4.210 1.00 0.00 H new ATOM 1305 N THR A 82 -12.004 -2.032 -0.250 1.00 0.00 N ATOM 1306 CA THR A 82 -11.455 -2.824 0.842 1.00 0.00 C ATOM 1307 C THR A 82 -11.089 -4.236 0.379 1.00 0.00 C ATOM 1308 O THR A 82 -10.013 -4.749 0.694 1.00 0.00 O ATOM 1309 CB THR A 82 -12.481 -2.912 1.983 1.00 0.00 C ATOM 1310 OG1 THR A 82 -13.180 -1.662 2.088 1.00 0.00 O ATOM 1311 CG2 THR A 82 -11.801 -3.230 3.307 1.00 0.00 C ATOM 0 H THR A 82 -12.934 -1.658 -0.061 1.00 0.00 H new ATOM 0 HA THR A 82 -10.547 -2.332 1.191 1.00 0.00 H new ATOM 0 HB THR A 82 -13.183 -3.716 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.837 -1.714 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.550 -3.286 4.097 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.283 -4.186 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.082 -2.446 3.544 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.984 -4.843 -0.399 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.804 -6.202 -0.886 1.00 0.00 C ATOM 1321 C GLU A 83 -10.542 -6.337 -1.732 1.00 0.00 C ATOM 1322 O GLU A 83 -9.835 -7.341 -1.659 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.019 -6.609 -1.711 1.00 0.00 C ATOM 1324 CG GLU A 83 -14.324 -6.578 -0.933 1.00 0.00 C ATOM 1325 CD GLU A 83 -14.260 -7.390 0.345 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -14.224 -8.634 0.266 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -14.228 -6.784 1.437 1.00 0.00 O ATOM 0 H GLU A 83 -12.852 -4.404 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.698 -6.858 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.103 -5.944 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.862 -7.615 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.574 -5.545 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.127 -6.961 -1.563 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.264 -5.312 -2.525 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.111 -5.301 -3.424 1.00 0.00 C ATOM 1336 C TYR A 84 -7.797 -5.428 -2.650 1.00 0.00 C ATOM 1337 O TYR A 84 -6.803 -5.939 -3.170 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.119 -4.012 -4.257 1.00 0.00 C ATOM 1339 CG TYR A 84 -7.931 -3.863 -5.182 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -7.815 -4.640 -6.328 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -6.924 -2.942 -4.910 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -6.730 -4.508 -7.173 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -5.838 -2.803 -5.752 1.00 0.00 C ATOM 1344 CZ TYR A 84 -5.745 -3.588 -6.880 1.00 0.00 C ATOM 1345 OH TYR A 84 -4.663 -3.454 -7.718 1.00 0.00 O ATOM 0 H TYR A 84 -10.829 -4.464 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.186 -6.162 -4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.033 -3.982 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.149 -3.157 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.586 -5.359 -6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.993 -2.326 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.653 -5.122 -8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.066 -2.082 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.062 -2.763 -7.369 1.00 0.00 H new ATOM 1355 N MET A 85 -7.802 -4.975 -1.405 1.00 0.00 N ATOM 1356 CA MET A 85 -6.617 -5.016 -0.572 1.00 0.00 C ATOM 1357 C MET A 85 -6.291 -6.441 -0.142 1.00 0.00 C ATOM 1358 O MET A 85 -5.140 -6.870 -0.221 1.00 0.00 O ATOM 1359 CB MET A 85 -6.813 -4.130 0.654 1.00 0.00 C ATOM 1360 CG MET A 85 -6.751 -2.645 0.349 1.00 0.00 C ATOM 1361 SD MET A 85 -5.158 -2.149 -0.335 1.00 0.00 S ATOM 1362 CE MET A 85 -5.416 -0.386 -0.516 1.00 0.00 C ATOM 0 H MET A 85 -8.622 -4.573 -0.950 1.00 0.00 H new ATOM 0 HA MET A 85 -5.777 -4.642 -1.158 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.778 -4.359 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.049 -4.373 1.393 1.00 0.00 H new ATOM 0 HG2 MET A 85 -7.542 -2.388 -0.356 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.943 -2.081 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.538 0.065 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.289 -0.209 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 85 -5.578 0.061 0.465 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.307 -7.183 0.285 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.091 -8.517 0.835 1.00 0.00 C ATOM 1374 C LYS A 86 -7.065 -9.574 -0.267 1.00 0.00 C ATOM 1375 O LYS A 86 -6.409 -10.609 -0.129 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.173 -8.848 1.863 1.00 0.00 C ATOM 1377 CG LYS A 86 -7.803 -10.002 2.780 1.00 0.00 C ATOM 1378 CD LYS A 86 -8.854 -10.224 3.856 1.00 0.00 C ATOM 1379 CE LYS A 86 -9.822 -11.344 3.493 1.00 0.00 C ATOM 1380 NZ LYS A 86 -10.577 -11.072 2.240 1.00 0.00 N ATOM 0 H LYS A 86 -8.283 -6.886 0.261 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.119 -8.524 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.372 -7.963 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.098 -9.092 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.687 -10.912 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.840 -9.800 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.362 -10.463 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.412 -9.301 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.267 -12.276 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.527 -11.488 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.302 -11.806 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.035 -10.141 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.922 -11.079 1.432 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.779 -9.319 -1.354 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.772 -10.227 -2.491 1.00 0.00 C ATOM 1396 C GLU A 87 -6.419 -10.164 -3.194 1.00 0.00 C ATOM 1397 O GLU A 87 -5.889 -9.077 -3.414 1.00 0.00 O ATOM 1398 CB GLU A 87 -8.895 -9.881 -3.470 1.00 0.00 C ATOM 1399 CG GLU A 87 -8.936 -10.790 -4.687 1.00 0.00 C ATOM 1400 CD GLU A 87 -10.083 -10.471 -5.614 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -10.013 -9.442 -6.313 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -11.058 -11.248 -5.647 1.00 0.00 O ATOM 0 H GLU A 87 -8.368 -8.495 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.940 -11.241 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.851 -9.939 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.774 -8.849 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.997 -10.701 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.017 -11.826 -4.359 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.886 -11.330 -3.546 1.00 0.00 N ATOM 1410 CA LYS A 88 -4.548 -11.445 -4.107 1.00 0.00 C ATOM 1411 C LYS A 88 -3.501 -10.900 -3.140 1.00 0.00 C ATOM 1412 O LYS A 88 -3.129 -9.723 -3.190 1.00 0.00 O ATOM 1413 CB LYS A 88 -4.441 -10.738 -5.457 1.00 0.00 C ATOM 1414 CG LYS A 88 -5.282 -11.366 -6.556 1.00 0.00 C ATOM 1415 CD LYS A 88 -5.099 -10.630 -7.874 1.00 0.00 C ATOM 1416 CE LYS A 88 -5.913 -11.259 -8.992 1.00 0.00 C ATOM 1417 NZ LYS A 88 -7.370 -11.261 -8.694 1.00 0.00 N ATOM 0 H LYS A 88 -6.372 -12.222 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.355 -12.506 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.741 -9.697 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.397 -10.734 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.003 -12.413 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.333 -11.348 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.394 -9.588 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.044 -10.632 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.734 -10.715 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.575 -12.283 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.899 -11.524 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.569 -11.948 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.662 -10.312 -8.384 1.00 0.00 H new ATOM 1431 N ILE A 89 -3.064 -11.759 -2.236 1.00 0.00 N ATOM 1432 CA ILE A 89 -2.030 -11.425 -1.283 1.00 0.00 C ATOM 1433 C ILE A 89 -1.067 -12.600 -1.143 1.00 0.00 C ATOM 1434 O ILE A 89 -1.438 -13.746 -1.395 1.00 0.00 O ATOM 1435 CB ILE A 89 -2.644 -11.055 0.084 1.00 0.00 C ATOM 1436 CG1 ILE A 89 -1.571 -10.556 1.058 1.00 0.00 C ATOM 1437 CG2 ILE A 89 -3.408 -12.233 0.676 1.00 0.00 C ATOM 1438 CD1 ILE A 89 -2.120 -10.111 2.398 1.00 0.00 C ATOM 0 H ILE A 89 -3.420 -12.710 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.480 -10.556 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.350 -10.241 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.843 -11.351 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.037 -9.723 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.831 -11.946 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.212 -12.523 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.729 -13.074 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.301 -9.772 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.826 -9.294 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.629 -10.947 2.878 1.00 0.00 H new ATOM 1450 N LYS A 90 0.164 -12.308 -0.776 1.00 0.00 N ATOM 1451 CA LYS A 90 1.173 -13.341 -0.632 1.00 0.00 C ATOM 1452 C LYS A 90 1.193 -13.856 0.805 1.00 0.00 C ATOM 1453 O LYS A 90 1.879 -13.302 1.664 1.00 0.00 O ATOM 1454 CB LYS A 90 2.550 -12.792 -1.024 1.00 0.00 C ATOM 1455 CG LYS A 90 3.674 -13.828 -1.050 1.00 0.00 C ATOM 1456 CD LYS A 90 3.718 -14.615 -2.359 1.00 0.00 C ATOM 1457 CE LYS A 90 2.600 -15.640 -2.459 1.00 0.00 C ATOM 1458 NZ LYS A 90 2.687 -16.436 -3.714 1.00 0.00 N ATOM 0 H LYS A 90 0.491 -11.364 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 90 0.929 -14.170 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.475 -12.334 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.821 -12.001 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.630 -13.326 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.544 -14.520 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.648 -13.923 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.680 -15.121 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.644 -16.310 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.637 -15.132 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.970 -17.190 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.518 -15.815 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.633 -16.860 -3.791 1.00 0.00 H new ATOM 1472 N ILE A 91 0.412 -14.896 1.071 1.00 0.00 N ATOM 1473 CA ILE A 91 0.372 -15.483 2.403 1.00 0.00 C ATOM 1474 C ILE A 91 1.613 -16.334 2.620 1.00 0.00 C ATOM 1475 O ILE A 91 1.688 -17.470 2.146 1.00 0.00 O ATOM 1476 CB ILE A 91 -0.884 -16.356 2.651 1.00 0.00 C ATOM 1477 CG1 ILE A 91 -2.177 -15.577 2.386 1.00 0.00 C ATOM 1478 CG2 ILE A 91 -0.884 -16.893 4.075 1.00 0.00 C ATOM 1479 CD1 ILE A 91 -2.661 -15.655 0.954 1.00 0.00 C ATOM 0 H ILE A 91 -0.197 -15.347 0.388 1.00 0.00 H new ATOM 0 HA ILE A 91 0.334 -14.653 3.108 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.846 -17.191 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.959 -15.956 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.019 -14.531 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.773 -17.504 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.007 -17.500 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.887 -16.060 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.580 -15.078 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.899 -15.248 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.853 -16.695 0.691 1.00 0.00 H new ATOM 1491 N ARG A 92 2.591 -15.777 3.311 1.00 0.00 N ATOM 1492 CA ARG A 92 3.851 -16.463 3.528 1.00 0.00 C ATOM 1493 C ARG A 92 4.263 -16.369 4.992 1.00 0.00 C ATOM 1494 O ARG A 92 4.680 -15.309 5.456 1.00 0.00 O ATOM 1495 CB ARG A 92 4.937 -15.851 2.639 1.00 0.00 C ATOM 1496 CG ARG A 92 6.169 -16.725 2.471 1.00 0.00 C ATOM 1497 CD ARG A 92 5.869 -17.949 1.618 1.00 0.00 C ATOM 1498 NE ARG A 92 7.081 -18.695 1.285 1.00 0.00 N ATOM 1499 CZ ARG A 92 7.712 -18.610 0.111 1.00 0.00 C ATOM 1500 NH1 ARG A 92 7.243 -17.816 -0.846 1.00 0.00 N ATOM 1501 NH2 ARG A 92 8.810 -19.322 -0.106 1.00 0.00 N ATOM 0 H ARG A 92 2.536 -14.850 3.732 1.00 0.00 H new ATOM 0 HA ARG A 92 3.726 -17.514 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.513 -15.646 1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.240 -14.893 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.968 -16.145 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.529 -17.041 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.177 -18.601 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.371 -17.638 0.700 1.00 0.00 H new ATOM 0 HE ARG A 92 7.469 -19.319 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.398 -17.268 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.728 -17.754 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.173 -19.935 0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.291 -19.257 -1.003 1.00 0.00 H new ATOM 1515 N MET A 93 4.126 -17.467 5.722 1.00 0.00 N ATOM 1516 CA MET A 93 4.532 -17.501 7.119 1.00 0.00 C ATOM 1517 C MET A 93 5.609 -18.562 7.338 1.00 0.00 C ATOM 1518 O MET A 93 5.317 -19.749 7.484 1.00 0.00 O ATOM 1519 CB MET A 93 3.326 -17.734 8.043 1.00 0.00 C ATOM 1520 CG MET A 93 2.493 -18.966 7.708 1.00 0.00 C ATOM 1521 SD MET A 93 1.093 -19.179 8.826 1.00 0.00 S ATOM 1522 CE MET A 93 0.408 -20.714 8.212 1.00 0.00 C ATOM 0 H MET A 93 3.738 -18.343 5.371 1.00 0.00 H new ATOM 0 HA MET A 93 4.955 -16.529 7.373 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.684 -17.823 9.069 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.682 -16.856 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.127 -18.886 6.684 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.127 -19.852 7.752 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.468 -20.983 8.802 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.119 -20.592 7.168 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.155 -21.504 8.292 1.00 0.00 H new ATOM 1532 N PRO A 94 6.883 -18.144 7.318 1.00 0.00 N ATOM 1533 CA PRO A 94 8.021 -19.042 7.492 1.00 0.00 C ATOM 1534 C PRO A 94 8.275 -19.400 8.956 1.00 0.00 C ATOM 1535 O PRO A 94 8.740 -20.497 9.267 1.00 0.00 O ATOM 1536 CB PRO A 94 9.209 -18.246 6.926 1.00 0.00 C ATOM 1537 CG PRO A 94 8.642 -16.963 6.400 1.00 0.00 C ATOM 1538 CD PRO A 94 7.324 -16.765 7.089 1.00 0.00 C ATOM 0 HA PRO A 94 7.852 -19.996 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.953 -18.054 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.709 -18.804 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.315 -16.130 6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.511 -17.011 5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.432 -16.212 8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.620 -16.210 6.469 1.00 0.00 H new ATOM 1546 N THR A 95 7.971 -18.474 9.847 1.00 0.00 N ATOM 1547 CA THR A 95 8.203 -18.681 11.267 1.00 0.00 C ATOM 1548 C THR A 95 6.886 -18.669 12.037 1.00 0.00 C ATOM 1549 O THR A 95 6.177 -17.660 12.062 1.00 0.00 O ATOM 1550 CB THR A 95 9.146 -17.607 11.837 1.00 0.00 C ATOM 1551 OG1 THR A 95 10.331 -17.516 11.028 1.00 0.00 O ATOM 1552 CG2 THR A 95 9.537 -17.933 13.273 1.00 0.00 C ATOM 0 H THR A 95 7.562 -17.569 9.613 1.00 0.00 H new ATOM 0 HA THR A 95 8.675 -19.657 11.384 1.00 0.00 H new ATOM 0 HB THR A 95 8.620 -16.653 11.826 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.926 -16.829 11.395 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.204 -17.159 13.653 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.641 -17.977 13.893 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.046 -18.896 13.302 1.00 0.00 H new ATOM 1560 N LEU A 96 6.561 -19.797 12.650 1.00 0.00 N ATOM 1561 CA LEU A 96 5.342 -19.922 13.431 1.00 0.00 C ATOM 1562 C LEU A 96 5.601 -20.772 14.668 1.00 0.00 C ATOM 1563 O LEU A 96 5.771 -20.195 15.762 1.00 0.00 O ATOM 1564 CB LEU A 96 4.225 -20.539 12.588 1.00 0.00 C ATOM 1565 CG LEU A 96 2.864 -20.642 13.280 1.00 0.00 C ATOM 1566 CD1 LEU A 96 2.337 -19.259 13.638 1.00 0.00 C ATOM 1567 CD2 LEU A 96 1.872 -21.377 12.394 1.00 0.00 C ATOM 1568 OXT LEU A 96 5.667 -22.012 14.539 1.00 0.00 O ATOM 0 H LEU A 96 7.129 -20.644 12.620 1.00 0.00 H new ATOM 0 HA LEU A 96 5.026 -18.927 13.745 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.109 -19.947 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.534 -21.538 12.280 1.00 0.00 H new ATOM 0 HG LEU A 96 2.990 -21.209 14.202 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.369 -19.355 14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.038 -18.766 14.311 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.227 -18.666 12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.909 -21.441 12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.752 -20.836 11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.242 -22.382 12.189 1.00 0.00 H new TER 1580 LEU A 96