USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 14 TYR OH : rot 74:sc= 0.101 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -3.78! C(o=-3.7!,f=-5.4!) USER MOD Set 2.1: A 32 ASN : amide:sc= -1.53 K(o=-1.8,f=0.25) USER MOD Set 2.2: A 33 SER OG : rot 180:sc= -0.313 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 1 THR N :NH3+ 148:sc= 0.238 (180deg=0.0345) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -90:sc= 0.236 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.508 USER MOD Single : A 13 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.061) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -78:sc= 0.795! USER MOD Single : A 31 SER OG : rot 180:sc= -0.647 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -89:sc= 0.116 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -0.152 (180deg=-0.461) USER MOD Single : A 51 THR OG1 : rot -139:sc= 1.09 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -169:sc= 0.302 USER MOD Single : A 63 SER OG : rot 99:sc= 1.23 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 21.350 6.823 11.793 1.00 0.00 N ATOM 2 CA THR A 1 20.180 7.356 11.036 1.00 0.00 C ATOM 3 C THR A 1 19.138 6.254 10.828 1.00 0.00 C ATOM 4 O THR A 1 18.592 6.097 9.754 1.00 0.00 O ATOM 5 CB THR A 1 20.752 7.816 9.695 1.00 0.00 C ATOM 6 OG1 THR A 1 21.916 8.597 9.921 1.00 0.00 O ATOM 7 CG2 THR A 1 19.709 8.653 8.953 1.00 0.00 C ATOM 0 H1 THR A 1 22.214 7.314 11.487 1.00 0.00 H new ATOM 0 H2 THR A 1 21.205 6.979 12.811 1.00 0.00 H new ATOM 0 H3 THR A 1 21.447 5.804 11.609 1.00 0.00 H new ATOM 0 HA THR A 1 19.680 8.168 11.565 1.00 0.00 H new ATOM 0 HB THR A 1 21.010 6.945 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.285 8.891 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 1 20.118 8.980 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 1 18.817 8.052 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 1 19.448 9.524 9.553 1.00 0.00 H new ATOM 17 N ARG A 2 18.860 5.489 11.848 1.00 0.00 N ATOM 18 CA ARG A 2 17.853 4.397 11.708 1.00 0.00 C ATOM 19 C ARG A 2 16.446 4.989 11.585 1.00 0.00 C ATOM 20 O ARG A 2 15.549 4.376 11.042 1.00 0.00 O ATOM 21 CB ARG A 2 17.980 3.577 12.992 1.00 0.00 C ATOM 22 CG ARG A 2 17.045 2.369 12.922 1.00 0.00 C ATOM 23 CD ARG A 2 17.782 1.121 13.415 1.00 0.00 C ATOM 24 NE ARG A 2 16.770 0.031 13.356 1.00 0.00 N ATOM 25 CZ ARG A 2 17.126 -1.171 12.991 1.00 0.00 C ATOM 26 NH1 ARG A 2 17.147 -1.490 11.726 1.00 0.00 N ATOM 27 NH2 ARG A 2 17.461 -2.055 13.892 1.00 0.00 N ATOM 0 H ARG A 2 19.285 5.572 12.771 1.00 0.00 H new ATOM 0 HA ARG A 2 18.021 3.790 10.818 1.00 0.00 H new ATOM 0 HB2 ARG A 2 19.010 3.246 13.124 1.00 0.00 H new ATOM 0 HB3 ARG A 2 17.731 4.193 13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.159 2.546 13.532 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.702 2.221 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.643 0.896 12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.156 1.258 14.429 1.00 0.00 H new ATOM 0 HE ARG A 2 15.799 0.223 13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.885 -0.800 11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.425 -2.429 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.445 -1.806 14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.739 -2.994 13.607 1.00 0.00 H new ATOM 41 N GLY A 3 16.248 6.179 12.086 1.00 0.00 N ATOM 42 CA GLY A 3 14.900 6.808 11.997 1.00 0.00 C ATOM 43 C GLY A 3 14.720 7.437 10.615 1.00 0.00 C ATOM 44 O GLY A 3 15.115 8.561 10.376 1.00 0.00 O ATOM 0 H GLY A 3 16.960 6.741 12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.126 6.060 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 3 14.790 7.568 12.771 1.00 0.00 H new ATOM 48 N SER A 4 14.127 6.719 9.700 1.00 0.00 N ATOM 49 CA SER A 4 13.924 7.276 8.332 1.00 0.00 C ATOM 50 C SER A 4 12.888 6.445 7.570 1.00 0.00 C ATOM 51 O SER A 4 12.444 5.413 8.035 1.00 0.00 O ATOM 52 CB SER A 4 15.291 7.177 7.657 1.00 0.00 C ATOM 53 OG SER A 4 15.390 8.177 6.650 1.00 0.00 O ATOM 0 H SER A 4 13.775 5.772 9.840 1.00 0.00 H new ATOM 0 HA SER A 4 13.554 8.301 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.084 7.306 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.422 6.188 7.218 1.00 0.00 H new ATOM 0 HG SER A 4 16.266 8.118 6.216 1.00 0.00 H new ATOM 59 N ASP A 5 12.497 6.887 6.408 1.00 0.00 N ATOM 60 CA ASP A 5 11.487 6.125 5.619 1.00 0.00 C ATOM 61 C ASP A 5 12.151 4.956 4.886 1.00 0.00 C ATOM 62 O ASP A 5 12.955 5.144 3.995 1.00 0.00 O ATOM 63 CB ASP A 5 10.925 7.133 4.616 1.00 0.00 C ATOM 64 CG ASP A 5 9.396 7.064 4.627 1.00 0.00 C ATOM 65 OD1 ASP A 5 8.872 5.963 4.615 1.00 0.00 O ATOM 66 OD2 ASP A 5 8.775 8.114 4.648 1.00 0.00 O ATOM 0 H ASP A 5 12.833 7.744 5.969 1.00 0.00 H new ATOM 0 HA ASP A 5 10.709 5.699 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.256 8.140 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.302 6.917 3.617 1.00 0.00 H new ATOM 71 N ILE A 6 11.815 3.749 5.251 1.00 0.00 N ATOM 72 CA ILE A 6 12.419 2.567 4.572 1.00 0.00 C ATOM 73 C ILE A 6 11.319 1.694 3.965 1.00 0.00 C ATOM 74 O ILE A 6 11.415 0.483 3.937 1.00 0.00 O ATOM 75 CB ILE A 6 13.166 1.808 5.670 1.00 0.00 C ATOM 76 CG1 ILE A 6 14.233 2.718 6.283 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.838 0.570 5.071 1.00 0.00 C ATOM 78 CD1 ILE A 6 14.832 2.043 7.519 1.00 0.00 C ATOM 0 H ILE A 6 11.148 3.530 5.991 1.00 0.00 H new ATOM 0 HA ILE A 6 13.085 2.854 3.758 1.00 0.00 H new ATOM 0 HB ILE A 6 12.460 1.501 6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 6 15.015 2.922 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 6 13.794 3.678 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.370 0.030 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.080 -0.079 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.543 0.877 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 6 15.592 2.691 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 6 14.046 1.862 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 6 15.286 1.095 7.232 1.00 0.00 H new ATOM 90 N SER A 7 10.274 2.303 3.478 1.00 0.00 N ATOM 91 CA SER A 7 9.165 1.518 2.870 1.00 0.00 C ATOM 92 C SER A 7 9.189 1.641 1.342 1.00 0.00 C ATOM 93 O SER A 7 8.278 1.209 0.663 1.00 0.00 O ATOM 94 CB SER A 7 7.884 2.135 3.433 1.00 0.00 C ATOM 95 OG SER A 7 7.903 3.539 3.211 1.00 0.00 O ATOM 0 H SER A 7 10.140 3.314 3.475 1.00 0.00 H new ATOM 0 HA SER A 7 9.246 0.456 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.011 1.691 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.803 1.925 4.499 1.00 0.00 H new ATOM 0 HG SER A 7 8.326 3.985 3.974 1.00 0.00 H new ATOM 101 N LYS A 8 10.218 2.229 0.790 1.00 0.00 N ATOM 102 CA LYS A 8 10.285 2.374 -0.691 1.00 0.00 C ATOM 103 C LYS A 8 10.860 1.106 -1.325 1.00 0.00 C ATOM 104 O LYS A 8 12.029 1.036 -1.647 1.00 0.00 O ATOM 105 CB LYS A 8 11.215 3.562 -0.931 1.00 0.00 C ATOM 106 CG LYS A 8 10.395 4.853 -0.981 1.00 0.00 C ATOM 107 CD LYS A 8 9.398 4.781 -2.139 1.00 0.00 C ATOM 108 CE LYS A 8 9.087 6.196 -2.633 1.00 0.00 C ATOM 109 NZ LYS A 8 7.640 6.173 -2.981 1.00 0.00 N ATOM 0 H LYS A 8 11.013 2.614 1.301 1.00 0.00 H new ATOM 0 HA LYS A 8 9.301 2.530 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.958 3.622 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.759 3.428 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.865 4.996 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.055 5.711 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.811 4.183 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.482 4.288 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.296 6.938 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.697 6.455 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.352 7.110 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.472 5.462 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.084 5.931 -2.136 1.00 0.00 H new ATOM 123 N THR A 9 10.048 0.100 -1.505 1.00 0.00 N ATOM 124 CA THR A 9 10.547 -1.163 -2.115 1.00 0.00 C ATOM 125 C THR A 9 9.694 -1.540 -3.333 1.00 0.00 C ATOM 126 O THR A 9 9.126 -0.692 -3.991 1.00 0.00 O ATOM 127 CB THR A 9 10.412 -2.212 -1.006 1.00 0.00 C ATOM 128 OG1 THR A 9 11.004 -3.431 -1.434 1.00 0.00 O ATOM 129 CG2 THR A 9 8.933 -2.446 -0.687 1.00 0.00 C ATOM 0 H THR A 9 9.059 0.099 -1.255 1.00 0.00 H new ATOM 0 HA THR A 9 11.574 -1.077 -2.471 1.00 0.00 H new ATOM 0 HB THR A 9 10.918 -1.854 -0.110 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.920 -4.102 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.845 -3.193 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.480 -1.512 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.420 -2.800 -1.581 1.00 0.00 H new ATOM 137 N CYS A 10 9.598 -2.807 -3.632 1.00 0.00 N ATOM 138 CA CYS A 10 8.780 -3.239 -4.800 1.00 0.00 C ATOM 139 C CYS A 10 7.651 -4.164 -4.334 1.00 0.00 C ATOM 140 O CYS A 10 7.354 -4.249 -3.159 1.00 0.00 O ATOM 141 CB CYS A 10 9.751 -3.991 -5.710 1.00 0.00 C ATOM 142 SG CYS A 10 10.354 -2.878 -7.002 1.00 0.00 S ATOM 0 H CYS A 10 10.051 -3.562 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 10 8.313 -2.399 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.588 -4.376 -5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.253 -4.851 -6.159 1.00 0.00 H new ATOM 147 N CYS A 11 7.018 -4.855 -5.243 1.00 0.00 N ATOM 148 CA CYS A 11 5.911 -5.770 -4.842 1.00 0.00 C ATOM 149 C CYS A 11 5.887 -7.006 -5.745 1.00 0.00 C ATOM 150 O CYS A 11 5.375 -6.971 -6.847 1.00 0.00 O ATOM 151 CB CYS A 11 4.633 -4.954 -5.025 1.00 0.00 C ATOM 152 SG CYS A 11 4.326 -3.970 -3.536 1.00 0.00 S ATOM 0 H CYS A 11 7.219 -4.826 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 11 6.026 -6.126 -3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.727 -4.301 -5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.789 -5.617 -5.216 1.00 0.00 H new ATOM 157 N PHE A 12 6.435 -8.098 -5.289 1.00 0.00 N ATOM 158 CA PHE A 12 6.439 -9.332 -6.120 1.00 0.00 C ATOM 159 C PHE A 12 5.368 -10.306 -5.624 1.00 0.00 C ATOM 160 O PHE A 12 5.491 -11.506 -5.764 1.00 0.00 O ATOM 161 CB PHE A 12 7.835 -9.926 -5.942 1.00 0.00 C ATOM 162 CG PHE A 12 8.759 -9.362 -6.995 1.00 0.00 C ATOM 163 CD1 PHE A 12 9.304 -8.082 -6.833 1.00 0.00 C ATOM 164 CD2 PHE A 12 9.072 -10.118 -8.131 1.00 0.00 C ATOM 165 CE1 PHE A 12 10.160 -7.558 -7.810 1.00 0.00 C ATOM 166 CE2 PHE A 12 9.928 -9.594 -9.106 1.00 0.00 C ATOM 167 CZ PHE A 12 10.473 -8.314 -8.945 1.00 0.00 C ATOM 0 H PHE A 12 6.880 -8.188 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 12 6.217 -9.127 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.216 -9.695 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.793 -11.012 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 12 9.064 -7.500 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 12 8.653 -11.106 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.579 -6.570 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.168 -10.177 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.135 -7.910 -9.697 1.00 0.00 H new ATOM 177 N GLN A 13 4.317 -9.794 -5.047 1.00 0.00 N ATOM 178 CA GLN A 13 3.230 -10.679 -4.542 1.00 0.00 C ATOM 179 C GLN A 13 1.951 -9.864 -4.343 1.00 0.00 C ATOM 180 O GLN A 13 1.993 -8.710 -3.968 1.00 0.00 O ATOM 181 CB GLN A 13 3.744 -11.222 -3.207 1.00 0.00 C ATOM 182 CG GLN A 13 4.117 -10.055 -2.289 1.00 0.00 C ATOM 183 CD GLN A 13 3.089 -9.944 -1.161 1.00 0.00 C ATOM 184 OE1 GLN A 13 1.944 -9.611 -1.398 1.00 0.00 O ATOM 185 NE2 GLN A 13 3.450 -10.212 0.064 1.00 0.00 N ATOM 0 H GLN A 13 4.163 -8.796 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 13 2.990 -11.485 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.980 -11.839 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.612 -11.860 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.113 -10.209 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.149 -9.126 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.411 -10.491 0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.772 -10.142 0.822 1.00 0.00 H new ATOM 194 N TYR A 14 0.812 -10.449 -4.597 1.00 0.00 N ATOM 195 CA TYR A 14 -0.460 -9.697 -4.426 1.00 0.00 C ATOM 196 C TYR A 14 -1.510 -10.566 -3.729 1.00 0.00 C ATOM 197 O TYR A 14 -1.580 -11.761 -3.935 1.00 0.00 O ATOM 198 CB TYR A 14 -0.911 -9.350 -5.846 1.00 0.00 C ATOM 199 CG TYR A 14 0.153 -8.518 -6.520 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.664 -7.384 -5.879 1.00 0.00 C ATOM 201 CD2 TYR A 14 0.630 -8.882 -7.785 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.651 -6.612 -6.503 1.00 0.00 C ATOM 203 CE2 TYR A 14 1.618 -8.111 -8.409 1.00 0.00 C ATOM 204 CZ TYR A 14 2.129 -6.976 -7.768 1.00 0.00 C ATOM 205 OH TYR A 14 3.104 -6.216 -8.386 1.00 0.00 O ATOM 0 H TYR A 14 0.709 -11.413 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.328 -8.808 -3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.090 -10.262 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.853 -8.802 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.297 -7.104 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.236 -9.758 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.044 -5.736 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.986 -8.392 -9.385 1.00 0.00 H new ATOM 0 HH TYR A 14 3.968 -6.375 -7.951 1.00 0.00 H new ATOM 215 N SER A 15 -2.329 -9.968 -2.907 1.00 0.00 N ATOM 216 CA SER A 15 -3.379 -10.747 -2.198 1.00 0.00 C ATOM 217 C SER A 15 -4.744 -10.082 -2.397 1.00 0.00 C ATOM 218 O SER A 15 -4.969 -8.966 -1.972 1.00 0.00 O ATOM 219 CB SER A 15 -2.973 -10.714 -0.726 1.00 0.00 C ATOM 220 OG SER A 15 -2.095 -11.798 -0.455 1.00 0.00 O ATOM 0 H SER A 15 -2.314 -8.970 -2.697 1.00 0.00 H new ATOM 0 HA SER A 15 -3.463 -11.768 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.484 -9.768 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.857 -10.780 -0.092 1.00 0.00 H new ATOM 0 HG SER A 15 -1.832 -11.778 0.489 1.00 0.00 H new ATOM 226 N HIS A 16 -5.657 -10.755 -3.043 1.00 0.00 N ATOM 227 CA HIS A 16 -7.003 -10.156 -3.270 1.00 0.00 C ATOM 228 C HIS A 16 -7.927 -10.452 -2.086 1.00 0.00 C ATOM 229 O HIS A 16 -8.716 -11.375 -2.117 1.00 0.00 O ATOM 230 CB HIS A 16 -7.526 -10.828 -4.540 1.00 0.00 C ATOM 231 CG HIS A 16 -8.887 -10.283 -4.874 1.00 0.00 C ATOM 232 ND1 HIS A 16 -9.064 -9.032 -5.447 1.00 0.00 N ATOM 233 CD2 HIS A 16 -10.147 -10.808 -4.727 1.00 0.00 C ATOM 234 CE1 HIS A 16 -10.386 -8.848 -5.620 1.00 0.00 C ATOM 235 NE2 HIS A 16 -11.092 -9.901 -5.197 1.00 0.00 N ATOM 0 H HIS A 16 -5.529 -11.693 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.958 -9.071 -3.370 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.839 -10.650 -5.367 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.580 -11.907 -4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.371 -11.779 -4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.823 -7.958 -6.048 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.105 -10.015 -5.215 1.00 0.00 H new ATOM 243 N LYS A 17 -7.836 -9.673 -1.041 1.00 0.00 N ATOM 244 CA LYS A 17 -8.710 -9.907 0.142 1.00 0.00 C ATOM 245 C LYS A 17 -8.813 -8.626 0.984 1.00 0.00 C ATOM 246 O LYS A 17 -7.833 -7.931 1.166 1.00 0.00 O ATOM 247 CB LYS A 17 -8.019 -11.019 0.933 1.00 0.00 C ATOM 248 CG LYS A 17 -8.802 -12.322 0.769 1.00 0.00 C ATOM 249 CD LYS A 17 -9.567 -12.622 2.060 1.00 0.00 C ATOM 250 CE LYS A 17 -10.273 -13.976 1.933 1.00 0.00 C ATOM 251 NZ LYS A 17 -11.117 -14.085 3.155 1.00 0.00 N ATOM 0 H LYS A 17 -7.194 -8.885 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.726 -10.183 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.996 -11.150 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.960 -10.748 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.496 -12.239 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.121 -13.141 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.881 -12.636 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.297 -11.836 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.880 -14.022 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.553 -14.793 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.633 -14.988 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.512 -14.045 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.797 -13.298 3.179 1.00 0.00 H new ATOM 265 N PRO A 18 -10.000 -8.350 1.471 1.00 0.00 N ATOM 266 CA PRO A 18 -10.215 -7.134 2.295 1.00 0.00 C ATOM 267 C PRO A 18 -9.629 -7.325 3.696 1.00 0.00 C ATOM 268 O PRO A 18 -10.138 -8.086 4.494 1.00 0.00 O ATOM 269 CB PRO A 18 -11.734 -7.004 2.357 1.00 0.00 C ATOM 270 CG PRO A 18 -12.253 -8.390 2.141 1.00 0.00 C ATOM 271 CD PRO A 18 -11.238 -9.126 1.305 1.00 0.00 C ATOM 0 HA PRO A 18 -9.732 -6.248 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.057 -6.608 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.103 -6.321 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.404 -8.896 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.219 -8.364 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.112 -10.154 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.542 -9.172 0.259 1.00 0.00 H new ATOM 279 N LEU A 19 -8.565 -6.634 4.002 1.00 0.00 N ATOM 280 CA LEU A 19 -7.948 -6.770 5.353 1.00 0.00 C ATOM 281 C LEU A 19 -8.876 -6.161 6.408 1.00 0.00 C ATOM 282 O LEU A 19 -9.600 -5.227 6.126 1.00 0.00 O ATOM 283 CB LEU A 19 -6.645 -5.970 5.270 1.00 0.00 C ATOM 284 CG LEU A 19 -5.519 -6.732 5.971 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.270 -6.721 5.088 1.00 0.00 C ATOM 286 CD2 LEU A 19 -5.199 -6.052 7.306 1.00 0.00 C ATOM 0 H LEU A 19 -8.096 -5.981 3.375 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.775 -7.809 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.382 -5.794 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.778 -4.993 5.734 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.833 -7.761 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.467 -7.264 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.494 -7.200 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.958 -5.692 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.397 -6.594 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.885 -5.024 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.087 -6.054 7.937 1.00 0.00 H new ATOM 298 N PRO A 20 -8.824 -6.703 7.599 1.00 0.00 N ATOM 299 CA PRO A 20 -9.675 -6.187 8.700 1.00 0.00 C ATOM 300 C PRO A 20 -9.219 -4.778 9.089 1.00 0.00 C ATOM 301 O PRO A 20 -8.201 -4.603 9.726 1.00 0.00 O ATOM 302 CB PRO A 20 -9.443 -7.186 9.833 1.00 0.00 C ATOM 303 CG PRO A 20 -8.109 -7.790 9.537 1.00 0.00 C ATOM 304 CD PRO A 20 -7.981 -7.823 8.039 1.00 0.00 C ATOM 0 HA PRO A 20 -10.730 -6.103 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.447 -6.691 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.225 -7.945 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.308 -7.200 9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.036 -8.794 9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.946 -7.696 7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.326 -8.771 7.627 1.00 0.00 H new ATOM 312 N TRP A 21 -9.964 -3.777 8.688 1.00 0.00 N ATOM 313 CA TRP A 21 -9.591 -2.360 9.000 1.00 0.00 C ATOM 314 C TRP A 21 -9.079 -2.214 10.434 1.00 0.00 C ATOM 315 O TRP A 21 -8.246 -1.377 10.721 1.00 0.00 O ATOM 316 CB TRP A 21 -10.881 -1.568 8.806 1.00 0.00 C ATOM 317 CG TRP A 21 -11.142 -1.426 7.343 1.00 0.00 C ATOM 318 CD1 TRP A 21 -12.116 -2.067 6.662 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.427 -0.612 6.370 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.049 -1.695 5.331 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.024 -0.798 5.102 1.00 0.00 C ATOM 322 CE3 TRP A 21 -9.333 0.265 6.465 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -10.549 -0.140 3.967 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -8.853 0.928 5.326 1.00 0.00 C ATOM 325 CH2 TRP A 21 -9.459 0.726 4.079 1.00 0.00 C ATOM 0 H TRP A 21 -10.825 -3.882 8.151 1.00 0.00 H new ATOM 0 HA TRP A 21 -8.783 -2.007 8.359 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.714 -2.078 9.290 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -10.795 -0.586 9.271 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.830 -2.757 7.087 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -12.679 -2.041 4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -8.859 0.430 7.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.021 -0.299 3.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -8.011 1.599 5.411 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -9.084 1.239 3.206 1.00 0.00 H new ATOM 336 N THR A 22 -9.559 -3.021 11.335 1.00 0.00 N ATOM 337 CA THR A 22 -9.079 -2.918 12.739 1.00 0.00 C ATOM 338 C THR A 22 -7.559 -3.090 12.772 1.00 0.00 C ATOM 339 O THR A 22 -6.870 -2.487 13.571 1.00 0.00 O ATOM 340 CB THR A 22 -9.766 -4.063 13.477 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.654 -5.254 12.709 1.00 0.00 O ATOM 342 CG2 THR A 22 -11.243 -3.725 13.687 1.00 0.00 C ATOM 0 H THR A 22 -10.258 -3.743 11.162 1.00 0.00 H new ATOM 0 HA THR A 22 -9.307 -1.954 13.193 1.00 0.00 H new ATOM 0 HB THR A 22 -9.289 -4.209 14.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.093 -5.991 13.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.732 -4.544 14.214 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.327 -2.812 14.277 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.724 -3.578 12.720 1.00 0.00 H new ATOM 350 N TRP A 23 -7.039 -3.910 11.902 1.00 0.00 N ATOM 351 CA TRP A 23 -5.570 -4.134 11.862 1.00 0.00 C ATOM 352 C TRP A 23 -4.939 -3.356 10.704 1.00 0.00 C ATOM 353 O TRP A 23 -3.775 -3.518 10.409 1.00 0.00 O ATOM 354 CB TRP A 23 -5.408 -5.640 11.640 1.00 0.00 C ATOM 355 CG TRP A 23 -5.513 -6.384 12.940 1.00 0.00 C ATOM 356 CD1 TRP A 23 -5.964 -5.871 14.112 1.00 0.00 C ATOM 357 CD2 TRP A 23 -5.172 -7.774 13.212 1.00 0.00 C ATOM 358 NE1 TRP A 23 -5.915 -6.857 15.081 1.00 0.00 N ATOM 359 CE2 TRP A 23 -5.434 -8.048 14.575 1.00 0.00 C ATOM 360 CE3 TRP A 23 -4.661 -8.814 12.415 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -5.200 -9.308 15.127 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -4.424 -10.084 12.966 1.00 0.00 C ATOM 363 CH2 TRP A 23 -4.693 -10.329 14.321 1.00 0.00 C ATOM 0 H TRP A 23 -7.574 -4.438 11.212 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.079 -3.795 12.774 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.173 -5.995 10.950 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.442 -5.842 11.177 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.306 -4.858 14.264 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.200 -6.721 16.051 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.449 -8.635 11.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.410 -9.492 16.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -4.033 -10.875 12.344 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.508 -11.307 14.740 1.00 0.00 H new ATOM 374 N VAL A 24 -5.686 -2.512 10.043 1.00 0.00 N ATOM 375 CA VAL A 24 -5.090 -1.738 8.917 1.00 0.00 C ATOM 376 C VAL A 24 -4.562 -0.397 9.429 1.00 0.00 C ATOM 377 O VAL A 24 -5.104 0.183 10.350 1.00 0.00 O ATOM 378 CB VAL A 24 -6.218 -1.530 7.908 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.672 -0.772 6.699 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.751 -2.889 7.450 1.00 0.00 C ATOM 0 H VAL A 24 -6.671 -2.327 10.231 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.249 -2.261 8.462 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.024 -0.961 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.471 -0.619 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.284 0.195 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.870 -1.350 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.556 -2.740 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.946 -3.457 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.131 -3.440 8.311 1.00 0.00 H new ATOM 390 N ARG A 25 -3.502 0.101 8.851 1.00 0.00 N ATOM 391 CA ARG A 25 -2.943 1.399 9.325 1.00 0.00 C ATOM 392 C ARG A 25 -2.848 2.405 8.172 1.00 0.00 C ATOM 393 O ARG A 25 -3.452 3.459 8.210 1.00 0.00 O ATOM 394 CB ARG A 25 -1.549 1.061 9.853 1.00 0.00 C ATOM 395 CG ARG A 25 -0.994 2.259 10.625 1.00 0.00 C ATOM 396 CD ARG A 25 0.099 2.937 9.797 1.00 0.00 C ATOM 397 NE ARG A 25 1.342 2.785 10.602 1.00 0.00 N ATOM 398 CZ ARG A 25 2.377 3.540 10.353 1.00 0.00 C ATOM 399 NH1 ARG A 25 2.217 4.822 10.166 1.00 0.00 N ATOM 400 NH2 ARG A 25 3.570 3.014 10.289 1.00 0.00 N ATOM 0 H ARG A 25 -3.001 -0.332 8.075 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.573 1.857 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.596 0.186 10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.886 0.809 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.793 2.968 10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.589 1.932 11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.202 2.467 8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.132 3.988 9.623 1.00 0.00 H new ATOM 0 HE ARG A 25 1.385 2.091 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.284 5.232 10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.025 5.414 9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.694 2.012 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.378 3.605 10.094 1.00 0.00 H new ATOM 414 N SER A 26 -2.091 2.099 7.153 1.00 0.00 N ATOM 415 CA SER A 26 -1.964 3.056 6.015 1.00 0.00 C ATOM 416 C SER A 26 -1.637 2.317 4.717 1.00 0.00 C ATOM 417 O SER A 26 -1.854 1.129 4.593 1.00 0.00 O ATOM 418 CB SER A 26 -0.808 3.977 6.399 1.00 0.00 C ATOM 419 OG SER A 26 0.405 3.237 6.387 1.00 0.00 O ATOM 0 H SER A 26 -1.558 1.234 7.059 1.00 0.00 H new ATOM 0 HA SER A 26 -2.891 3.602 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.745 4.812 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.979 4.401 7.388 1.00 0.00 H new ATOM 0 HG SER A 26 1.150 3.825 6.631 1.00 0.00 H new ATOM 425 N TYR A 27 -1.119 3.020 3.748 1.00 0.00 N ATOM 426 CA TYR A 27 -0.775 2.370 2.450 1.00 0.00 C ATOM 427 C TYR A 27 0.386 3.121 1.777 1.00 0.00 C ATOM 428 O TYR A 27 0.919 4.069 2.319 1.00 0.00 O ATOM 429 CB TYR A 27 -2.076 2.446 1.619 1.00 0.00 C ATOM 430 CG TYR A 27 -2.160 3.750 0.849 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.500 4.936 1.508 1.00 0.00 C ATOM 432 CD2 TYR A 27 -1.888 3.765 -0.523 1.00 0.00 C ATOM 433 CE1 TYR A 27 -2.570 6.139 0.794 1.00 0.00 C ATOM 434 CE2 TYR A 27 -1.956 4.966 -1.238 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.298 6.154 -0.580 1.00 0.00 C ATOM 436 OH TYR A 27 -2.367 7.338 -1.288 1.00 0.00 O ATOM 0 H TYR A 27 -0.918 4.019 3.798 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.439 1.339 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.116 1.607 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.938 2.354 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.709 4.924 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.625 2.849 -1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.834 7.055 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.745 4.977 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.148 7.170 -2.228 1.00 0.00 H new ATOM 446 N GLU A 28 0.768 2.716 0.594 1.00 0.00 N ATOM 447 CA GLU A 28 1.880 3.418 -0.113 1.00 0.00 C ATOM 448 C GLU A 28 2.088 2.820 -1.508 1.00 0.00 C ATOM 449 O GLU A 28 1.971 1.628 -1.708 1.00 0.00 O ATOM 450 CB GLU A 28 3.122 3.194 0.755 1.00 0.00 C ATOM 451 CG GLU A 28 3.406 1.696 0.869 1.00 0.00 C ATOM 452 CD GLU A 28 4.578 1.471 1.825 1.00 0.00 C ATOM 453 OE1 GLU A 28 4.410 1.727 3.006 1.00 0.00 O ATOM 454 OE2 GLU A 28 5.623 1.048 1.361 1.00 0.00 O ATOM 0 H GLU A 28 0.359 1.931 0.088 1.00 0.00 H new ATOM 0 HA GLU A 28 1.667 4.478 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.980 3.705 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.967 3.621 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.521 1.174 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.639 1.283 -0.113 1.00 0.00 H new ATOM 461 N PHE A 29 2.402 3.643 -2.472 1.00 0.00 N ATOM 462 CA PHE A 29 2.625 3.129 -3.855 1.00 0.00 C ATOM 463 C PHE A 29 4.103 2.776 -4.049 1.00 0.00 C ATOM 464 O PHE A 29 4.980 3.429 -3.519 1.00 0.00 O ATOM 465 CB PHE A 29 2.227 4.287 -4.773 1.00 0.00 C ATOM 466 CG PHE A 29 1.425 3.761 -5.940 1.00 0.00 C ATOM 467 CD1 PHE A 29 2.025 2.913 -6.879 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.081 4.127 -6.086 1.00 0.00 C ATOM 469 CE1 PHE A 29 1.280 2.430 -7.963 1.00 0.00 C ATOM 470 CE2 PHE A 29 -0.663 3.645 -7.170 1.00 0.00 C ATOM 471 CZ PHE A 29 -0.063 2.797 -8.109 1.00 0.00 C ATOM 0 H PHE A 29 2.514 4.651 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 29 2.050 2.227 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.641 5.019 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.118 4.800 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.062 2.631 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.382 4.781 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.742 1.774 -8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.699 3.927 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.636 2.426 -8.946 1.00 0.00 H new ATOM 481 N THR A 30 4.387 1.751 -4.804 1.00 0.00 N ATOM 482 CA THR A 30 5.810 1.367 -5.028 1.00 0.00 C ATOM 483 C THR A 30 6.582 2.543 -5.635 1.00 0.00 C ATOM 484 O THR A 30 6.047 3.617 -5.822 1.00 0.00 O ATOM 485 CB THR A 30 5.759 0.191 -6.005 1.00 0.00 C ATOM 486 OG1 THR A 30 4.685 0.381 -6.916 1.00 0.00 O ATOM 487 CG2 THR A 30 5.550 -1.112 -5.229 1.00 0.00 C ATOM 0 H THR A 30 3.698 1.164 -5.274 1.00 0.00 H new ATOM 0 HA THR A 30 6.317 1.098 -4.101 1.00 0.00 H new ATOM 0 HB THR A 30 6.698 0.135 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.839 0.154 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.514 -1.949 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.375 -1.256 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.612 -1.060 -4.676 1.00 0.00 H new ATOM 495 N SER A 31 7.836 2.352 -5.940 1.00 0.00 N ATOM 496 CA SER A 31 8.635 3.463 -6.530 1.00 0.00 C ATOM 497 C SER A 31 8.493 3.470 -8.055 1.00 0.00 C ATOM 498 O SER A 31 7.836 2.625 -8.631 1.00 0.00 O ATOM 499 CB SER A 31 10.079 3.169 -6.127 1.00 0.00 C ATOM 500 OG SER A 31 10.492 4.111 -5.145 1.00 0.00 O ATOM 0 H SER A 31 8.341 1.476 -5.806 1.00 0.00 H new ATOM 0 HA SER A 31 8.304 4.440 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.160 2.156 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.731 3.225 -6.999 1.00 0.00 H new ATOM 0 HG SER A 31 11.418 3.925 -4.882 1.00 0.00 H new ATOM 506 N ASN A 32 9.105 4.417 -8.712 1.00 0.00 N ATOM 507 CA ASN A 32 9.006 4.479 -10.199 1.00 0.00 C ATOM 508 C ASN A 32 10.045 3.550 -10.834 1.00 0.00 C ATOM 509 O ASN A 32 9.882 3.086 -11.944 1.00 0.00 O ATOM 510 CB ASN A 32 9.298 5.936 -10.558 1.00 0.00 C ATOM 511 CG ASN A 32 10.684 6.323 -10.040 1.00 0.00 C ATOM 512 OD1 ASN A 32 10.807 6.927 -8.993 1.00 0.00 O ATOM 513 ND2 ASN A 32 11.740 5.998 -10.733 1.00 0.00 N ATOM 0 H ASN A 32 9.669 5.151 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 32 8.029 4.161 -10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.251 6.071 -11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.541 6.588 -10.122 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.669 6.251 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.637 5.491 -11.612 1.00 0.00 H new ATOM 520 N SER A 33 11.113 3.275 -10.136 1.00 0.00 N ATOM 521 CA SER A 33 12.161 2.376 -10.697 1.00 0.00 C ATOM 522 C SER A 33 11.772 0.904 -10.503 1.00 0.00 C ATOM 523 O SER A 33 12.434 0.012 -10.995 1.00 0.00 O ATOM 524 CB SER A 33 13.426 2.703 -9.906 1.00 0.00 C ATOM 525 OG SER A 33 13.552 4.114 -9.783 1.00 0.00 O ATOM 0 H SER A 33 11.305 3.634 -9.201 1.00 0.00 H new ATOM 0 HA SER A 33 12.296 2.525 -11.768 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.380 2.243 -8.919 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.300 2.291 -10.410 1.00 0.00 H new ATOM 0 HG SER A 33 14.362 4.327 -9.275 1.00 0.00 H new ATOM 531 N CYS A 34 10.705 0.640 -9.793 1.00 0.00 N ATOM 532 CA CYS A 34 10.287 -0.775 -9.576 1.00 0.00 C ATOM 533 C CYS A 34 9.900 -1.425 -10.907 1.00 0.00 C ATOM 534 O CYS A 34 9.460 -0.764 -11.827 1.00 0.00 O ATOM 535 CB CYS A 34 9.072 -0.690 -8.652 1.00 0.00 C ATOM 536 SG CYS A 34 8.688 -2.337 -8.008 1.00 0.00 S ATOM 0 H CYS A 34 10.108 1.342 -9.356 1.00 0.00 H new ATOM 0 HA CYS A 34 11.087 -1.379 -9.148 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.275 -0.004 -7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.215 -0.291 -9.196 1.00 0.00 H new ATOM 541 N SER A 35 10.059 -2.715 -11.017 1.00 0.00 N ATOM 542 CA SER A 35 9.695 -3.404 -12.289 1.00 0.00 C ATOM 543 C SER A 35 8.232 -3.860 -12.247 1.00 0.00 C ATOM 544 O SER A 35 7.807 -4.683 -13.034 1.00 0.00 O ATOM 545 CB SER A 35 10.629 -4.611 -12.368 1.00 0.00 C ATOM 546 OG SER A 35 11.545 -4.425 -13.439 1.00 0.00 O ATOM 0 H SER A 35 10.425 -3.322 -10.283 1.00 0.00 H new ATOM 0 HA SER A 35 9.799 -2.750 -13.155 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.169 -4.730 -11.429 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.052 -5.523 -12.522 1.00 0.00 H new ATOM 0 HG SER A 35 12.147 -5.196 -13.492 1.00 0.00 H new ATOM 552 N GLN A 36 7.458 -3.335 -11.337 1.00 0.00 N ATOM 553 CA GLN A 36 6.028 -3.741 -11.251 1.00 0.00 C ATOM 554 C GLN A 36 5.226 -2.689 -10.480 1.00 0.00 C ATOM 555 O GLN A 36 5.048 -2.785 -9.283 1.00 0.00 O ATOM 556 CB GLN A 36 6.036 -5.070 -10.494 1.00 0.00 C ATOM 557 CG GLN A 36 4.925 -5.972 -11.038 1.00 0.00 C ATOM 558 CD GLN A 36 5.523 -6.986 -12.014 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.537 -6.761 -13.209 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.021 -8.101 -11.554 1.00 0.00 N ATOM 0 H GLN A 36 7.755 -2.642 -10.650 1.00 0.00 H new ATOM 0 HA GLN A 36 5.566 -3.836 -12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.004 -5.559 -10.606 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.888 -4.895 -9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.428 -6.490 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.167 -5.371 -11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.009 -8.290 -10.552 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.422 -8.784 -12.197 1.00 0.00 H new ATOM 569 N ARG A 37 4.737 -1.686 -11.157 1.00 0.00 N ATOM 570 CA ARG A 37 3.945 -0.631 -10.461 1.00 0.00 C ATOM 571 C ARG A 37 2.821 -1.271 -9.641 1.00 0.00 C ATOM 572 O ARG A 37 1.886 -1.827 -10.183 1.00 0.00 O ATOM 573 CB ARG A 37 3.365 0.234 -11.581 1.00 0.00 C ATOM 574 CG ARG A 37 4.411 1.252 -12.038 1.00 0.00 C ATOM 575 CD ARG A 37 3.722 2.575 -12.381 1.00 0.00 C ATOM 576 NE ARG A 37 4.759 3.619 -12.146 1.00 0.00 N ATOM 577 CZ ARG A 37 4.402 4.826 -11.799 1.00 0.00 C ATOM 578 NH1 ARG A 37 3.785 5.595 -12.654 1.00 0.00 N ATOM 579 NH2 ARG A 37 4.665 5.264 -10.598 1.00 0.00 N ATOM 0 H ARG A 37 4.851 -1.551 -12.162 1.00 0.00 H new ATOM 0 HA ARG A 37 4.552 -0.047 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.063 -0.394 -12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.471 0.749 -11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.150 1.408 -11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.947 0.873 -12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.378 2.585 -13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.847 2.739 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 37 5.747 3.391 -12.256 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.582 5.253 -13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.506 6.538 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.149 4.663 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.386 6.207 -10.327 1.00 0.00 H new ATOM 593 N ALA A 38 2.905 -1.202 -8.340 1.00 0.00 N ATOM 594 CA ALA A 38 1.842 -1.811 -7.496 1.00 0.00 C ATOM 595 C ALA A 38 1.635 -0.996 -6.216 1.00 0.00 C ATOM 596 O ALA A 38 2.542 -0.353 -5.723 1.00 0.00 O ATOM 597 CB ALA A 38 2.357 -3.211 -7.162 1.00 0.00 C ATOM 0 H ALA A 38 3.663 -0.751 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 38 0.880 -1.838 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.627 -3.728 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.510 -3.772 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.302 -3.132 -6.624 1.00 0.00 H new ATOM 603 N VAL A 39 0.447 -1.022 -5.673 1.00 0.00 N ATOM 604 CA VAL A 39 0.178 -0.255 -4.423 1.00 0.00 C ATOM 605 C VAL A 39 0.287 -1.182 -3.210 1.00 0.00 C ATOM 606 O VAL A 39 0.164 -2.384 -3.327 1.00 0.00 O ATOM 607 CB VAL A 39 -1.252 0.265 -4.573 1.00 0.00 C ATOM 608 CG1 VAL A 39 -1.589 1.178 -3.393 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.372 1.057 -5.877 1.00 0.00 C ATOM 0 H VAL A 39 -0.349 -1.542 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 39 0.890 0.557 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.944 -0.577 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.608 1.549 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.502 0.617 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.897 2.020 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.391 1.428 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.680 1.899 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.131 0.409 -6.720 1.00 0.00 H new ATOM 619 N ILE A 40 0.525 -0.638 -2.049 1.00 0.00 N ATOM 620 CA ILE A 40 0.650 -1.500 -0.842 1.00 0.00 C ATOM 621 C ILE A 40 -0.241 -0.978 0.289 1.00 0.00 C ATOM 622 O ILE A 40 -0.600 0.180 0.328 1.00 0.00 O ATOM 623 CB ILE A 40 2.124 -1.398 -0.451 1.00 0.00 C ATOM 624 CG1 ILE A 40 2.990 -2.014 -1.548 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.360 -2.144 0.859 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.218 -1.134 -1.779 1.00 0.00 C ATOM 0 H ILE A 40 0.638 0.362 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 40 0.339 -2.527 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 40 2.390 -0.348 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.298 -3.020 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.417 -2.107 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.412 -2.070 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.746 -1.703 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.091 -3.193 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.837 -1.572 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.899 -0.137 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.794 -1.064 -0.857 1.00 0.00 H new ATOM 638 N PHE A 41 -0.575 -1.829 1.218 1.00 0.00 N ATOM 639 CA PHE A 41 -1.421 -1.404 2.369 1.00 0.00 C ATOM 640 C PHE A 41 -0.769 -1.911 3.655 1.00 0.00 C ATOM 641 O PHE A 41 -0.483 -3.084 3.787 1.00 0.00 O ATOM 642 CB PHE A 41 -2.776 -2.078 2.147 1.00 0.00 C ATOM 643 CG PHE A 41 -3.402 -1.545 0.880 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.725 -0.188 0.776 1.00 0.00 C ATOM 645 CD2 PHE A 41 -3.660 -2.411 -0.190 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.306 0.306 -0.398 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.241 -1.917 -1.365 1.00 0.00 C ATOM 648 CZ PHE A 41 -4.563 -0.559 -1.469 1.00 0.00 C ATOM 0 H PHE A 41 -0.296 -2.810 1.230 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.532 -0.322 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.650 -3.158 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.432 -1.889 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.526 0.479 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.411 -3.459 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.556 1.354 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.440 -2.584 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.010 -0.178 -2.375 1.00 0.00 H new ATOM 658 N THR A 42 -0.499 -1.045 4.594 1.00 0.00 N ATOM 659 CA THR A 42 0.170 -1.513 5.839 1.00 0.00 C ATOM 660 C THR A 42 -0.838 -1.740 6.967 1.00 0.00 C ATOM 661 O THR A 42 -1.850 -1.072 7.062 1.00 0.00 O ATOM 662 CB THR A 42 1.169 -0.413 6.206 1.00 0.00 C ATOM 663 OG1 THR A 42 1.574 0.282 5.033 1.00 0.00 O ATOM 664 CG2 THR A 42 2.393 -1.039 6.874 1.00 0.00 C ATOM 0 H THR A 42 -0.709 -0.048 4.554 1.00 0.00 H new ATOM 0 HA THR A 42 0.664 -2.472 5.686 1.00 0.00 H new ATOM 0 HB THR A 42 0.695 0.288 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.212 0.986 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.105 -0.256 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.085 -1.566 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.863 -1.742 6.186 1.00 0.00 H new ATOM 672 N THR A 43 -0.556 -2.690 7.820 1.00 0.00 N ATOM 673 CA THR A 43 -1.480 -2.991 8.951 1.00 0.00 C ATOM 674 C THR A 43 -0.958 -2.373 10.250 1.00 0.00 C ATOM 675 O THR A 43 0.040 -1.679 10.266 1.00 0.00 O ATOM 676 CB THR A 43 -1.492 -4.518 9.054 1.00 0.00 C ATOM 677 OG1 THR A 43 -0.174 -4.986 9.312 1.00 0.00 O ATOM 678 CG2 THR A 43 -2.004 -5.116 7.741 1.00 0.00 C ATOM 0 H THR A 43 0.280 -3.273 7.781 1.00 0.00 H new ATOM 0 HA THR A 43 -2.476 -2.581 8.786 1.00 0.00 H new ATOM 0 HB THR A 43 -2.149 -4.823 9.868 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.290 -5.142 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.012 -6.203 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.015 -4.758 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.350 -4.813 6.924 1.00 0.00 H new ATOM 686 N LYS A 44 -1.631 -2.622 11.340 1.00 0.00 N ATOM 687 CA LYS A 44 -1.187 -2.056 12.643 1.00 0.00 C ATOM 688 C LYS A 44 0.012 -2.841 13.185 1.00 0.00 C ATOM 689 O LYS A 44 0.714 -2.386 14.066 1.00 0.00 O ATOM 690 CB LYS A 44 -2.394 -2.208 13.568 1.00 0.00 C ATOM 691 CG LYS A 44 -3.448 -1.160 13.205 1.00 0.00 C ATOM 692 CD LYS A 44 -3.262 0.077 14.084 1.00 0.00 C ATOM 693 CE LYS A 44 -4.614 0.760 14.300 1.00 0.00 C ATOM 694 NZ LYS A 44 -4.851 0.687 15.769 1.00 0.00 N ATOM 0 H LYS A 44 -2.473 -3.196 11.383 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.867 -1.018 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.814 -3.210 13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.087 -2.087 14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.359 -0.888 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.448 -1.571 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.829 -0.208 15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.564 0.769 13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.594 1.793 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.405 0.254 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.761 1.136 15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.872 -0.309 16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.086 1.183 16.269 1.00 0.00 H new ATOM 708 N ARG A 45 0.255 -4.016 12.667 1.00 0.00 N ATOM 709 CA ARG A 45 1.409 -4.823 13.159 1.00 0.00 C ATOM 710 C ARG A 45 2.703 -4.365 12.481 1.00 0.00 C ATOM 711 O ARG A 45 3.788 -4.586 12.982 1.00 0.00 O ATOM 712 CB ARG A 45 1.081 -6.264 12.765 1.00 0.00 C ATOM 713 CG ARG A 45 0.028 -6.827 13.722 1.00 0.00 C ATOM 714 CD ARG A 45 0.674 -7.872 14.635 1.00 0.00 C ATOM 715 NE ARG A 45 -0.373 -8.913 14.825 1.00 0.00 N ATOM 716 CZ ARG A 45 -1.319 -8.735 15.706 1.00 0.00 C ATOM 717 NH1 ARG A 45 -2.368 -8.021 15.402 1.00 0.00 N ATOM 718 NH2 ARG A 45 -1.215 -9.271 16.892 1.00 0.00 N ATOM 0 H ARG A 45 -0.295 -4.451 11.926 1.00 0.00 H new ATOM 0 HA ARG A 45 1.558 -4.717 14.234 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.711 -6.297 11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.983 -6.876 12.798 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.403 -6.023 14.319 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.788 -7.277 13.157 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.572 -8.292 14.181 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.973 -7.434 15.587 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.351 -9.766 14.266 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.449 -7.602 14.476 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.107 -7.882 16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.395 -9.829 17.130 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.954 -9.132 17.581 1.00 0.00 H new ATOM 732 N GLY A 46 2.599 -3.732 11.345 1.00 0.00 N ATOM 733 CA GLY A 46 3.826 -3.263 10.638 1.00 0.00 C ATOM 734 C GLY A 46 4.050 -4.090 9.365 1.00 0.00 C ATOM 735 O GLY A 46 5.011 -3.886 8.650 1.00 0.00 O ATOM 0 H GLY A 46 1.719 -3.519 10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.727 -2.208 10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.691 -3.352 11.296 1.00 0.00 H new ATOM 739 N LYS A 47 3.178 -5.019 9.071 1.00 0.00 N ATOM 740 CA LYS A 47 3.356 -5.846 7.845 1.00 0.00 C ATOM 741 C LYS A 47 2.680 -5.165 6.651 1.00 0.00 C ATOM 742 O LYS A 47 1.472 -5.041 6.598 1.00 0.00 O ATOM 743 CB LYS A 47 2.674 -7.180 8.161 1.00 0.00 C ATOM 744 CG LYS A 47 3.248 -7.757 9.457 1.00 0.00 C ATOM 745 CD LYS A 47 3.222 -9.285 9.393 1.00 0.00 C ATOM 746 CE LYS A 47 1.830 -9.791 9.779 1.00 0.00 C ATOM 747 NZ LYS A 47 1.547 -10.902 8.828 1.00 0.00 N ATOM 0 H LYS A 47 2.352 -5.239 9.627 1.00 0.00 H new ATOM 0 HA LYS A 47 4.406 -5.980 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.598 -7.035 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.826 -7.881 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.270 -7.406 9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.667 -7.409 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.477 -9.621 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.971 -9.700 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.809 -10.140 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.085 -9.000 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.608 -11.301 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.567 -10.539 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.268 -11.643 8.936 1.00 0.00 H new ATOM 761 N LYS A 48 3.448 -4.718 5.695 1.00 0.00 N ATOM 762 CA LYS A 48 2.843 -4.041 4.510 1.00 0.00 C ATOM 763 C LYS A 48 2.424 -5.073 3.461 1.00 0.00 C ATOM 764 O LYS A 48 3.190 -5.935 3.079 1.00 0.00 O ATOM 765 CB LYS A 48 3.943 -3.128 3.967 1.00 0.00 C ATOM 766 CG LYS A 48 3.456 -1.678 3.969 1.00 0.00 C ATOM 767 CD LYS A 48 4.512 -0.789 4.628 1.00 0.00 C ATOM 768 CE LYS A 48 5.819 -0.884 3.838 1.00 0.00 C ATOM 769 NZ LYS A 48 6.807 -1.447 4.800 1.00 0.00 N ATOM 0 H LYS A 48 4.465 -4.791 5.682 1.00 0.00 H new ATOM 0 HA LYS A 48 1.945 -3.481 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.841 -3.221 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.213 -3.430 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.269 -1.344 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.512 -1.601 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.166 0.244 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.674 -1.101 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.707 -1.527 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.134 0.095 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.489 -2.042 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.312 -0.671 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.311 -2.022 5.511 1.00 0.00 H new ATOM 783 N VAL A 49 1.207 -4.991 2.998 1.00 0.00 N ATOM 784 CA VAL A 49 0.724 -5.969 1.976 1.00 0.00 C ATOM 785 C VAL A 49 0.732 -5.338 0.578 1.00 0.00 C ATOM 786 O VAL A 49 0.179 -4.279 0.361 1.00 0.00 O ATOM 787 CB VAL A 49 -0.706 -6.307 2.400 1.00 0.00 C ATOM 788 CG1 VAL A 49 -1.270 -7.391 1.480 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.706 -6.814 3.844 1.00 0.00 C ATOM 0 H VAL A 49 0.524 -4.289 3.282 1.00 0.00 H new ATOM 0 HA VAL A 49 1.359 -6.853 1.924 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.325 -5.412 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.289 -7.631 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.273 -7.030 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.651 -8.285 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.726 -7.055 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.086 -7.708 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.306 -6.041 4.501 1.00 0.00 H new ATOM 799 N CYS A 50 1.354 -5.987 -0.373 1.00 0.00 N ATOM 800 CA CYS A 50 1.395 -5.431 -1.758 1.00 0.00 C ATOM 801 C CYS A 50 0.076 -5.720 -2.483 1.00 0.00 C ATOM 802 O CYS A 50 -0.572 -6.717 -2.237 1.00 0.00 O ATOM 803 CB CYS A 50 2.547 -6.166 -2.446 1.00 0.00 C ATOM 804 SG CYS A 50 4.112 -5.340 -2.066 1.00 0.00 S ATOM 0 H CYS A 50 1.835 -6.878 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 50 1.535 -4.350 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.581 -7.203 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.387 -6.185 -3.524 1.00 0.00 H new ATOM 809 N THR A 51 -0.323 -4.857 -3.379 1.00 0.00 N ATOM 810 CA THR A 51 -1.596 -5.084 -4.123 1.00 0.00 C ATOM 811 C THR A 51 -1.539 -4.393 -5.489 1.00 0.00 C ATOM 812 O THR A 51 -0.797 -3.452 -5.687 1.00 0.00 O ATOM 813 CB THR A 51 -2.686 -4.457 -3.252 1.00 0.00 C ATOM 814 OG1 THR A 51 -2.401 -3.078 -3.058 1.00 0.00 O ATOM 815 CG2 THR A 51 -2.734 -5.166 -1.897 1.00 0.00 C ATOM 0 H THR A 51 0.178 -4.004 -3.628 1.00 0.00 H new ATOM 0 HA THR A 51 -1.782 -6.142 -4.307 1.00 0.00 H new ATOM 0 HB THR A 51 -3.651 -4.563 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.600 -2.830 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.511 -4.717 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.955 -6.223 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.770 -5.064 -1.399 1.00 0.00 H new ATOM 823 N HIS A 52 -2.315 -4.854 -6.433 1.00 0.00 N ATOM 824 CA HIS A 52 -2.303 -4.224 -7.782 1.00 0.00 C ATOM 825 C HIS A 52 -3.246 -3.013 -7.814 1.00 0.00 C ATOM 826 O HIS A 52 -4.248 -2.996 -7.129 1.00 0.00 O ATOM 827 CB HIS A 52 -2.793 -5.315 -8.735 1.00 0.00 C ATOM 828 CG HIS A 52 -1.619 -5.926 -9.453 1.00 0.00 C ATOM 829 ND1 HIS A 52 -1.741 -7.078 -10.217 1.00 0.00 N ATOM 830 CD2 HIS A 52 -0.297 -5.561 -9.535 1.00 0.00 C ATOM 831 CE1 HIS A 52 -0.525 -7.363 -10.717 1.00 0.00 C ATOM 832 NE2 HIS A 52 0.391 -6.470 -10.334 1.00 0.00 N ATOM 0 H HIS A 52 -2.956 -5.640 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.313 -3.859 -8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.331 -6.083 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.494 -4.894 -9.456 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.142 -4.700 -9.053 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.315 -8.211 -11.351 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.382 -6.457 -10.575 1.00 0.00 H new ATOM 840 N PRO A 53 -2.892 -2.035 -8.612 1.00 0.00 N ATOM 841 CA PRO A 53 -3.724 -0.814 -8.724 1.00 0.00 C ATOM 842 C PRO A 53 -4.957 -1.085 -9.591 1.00 0.00 C ATOM 843 O PRO A 53 -5.960 -0.406 -9.491 1.00 0.00 O ATOM 844 CB PRO A 53 -2.797 0.191 -9.400 1.00 0.00 C ATOM 845 CG PRO A 53 -1.806 -0.634 -10.161 1.00 0.00 C ATOM 846 CD PRO A 53 -1.703 -1.972 -9.473 1.00 0.00 C ATOM 0 HA PRO A 53 -4.099 -0.462 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.352 0.852 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.300 0.824 -8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.126 -0.759 -11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.835 -0.140 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.691 -2.789 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.786 -2.049 -8.889 1.00 0.00 H new ATOM 854 N ARG A 54 -4.891 -2.073 -10.441 1.00 0.00 N ATOM 855 CA ARG A 54 -6.058 -2.385 -11.314 1.00 0.00 C ATOM 856 C ARG A 54 -7.235 -2.879 -10.470 1.00 0.00 C ATOM 857 O ARG A 54 -8.370 -2.503 -10.691 1.00 0.00 O ATOM 858 CB ARG A 54 -5.567 -3.489 -12.253 1.00 0.00 C ATOM 859 CG ARG A 54 -4.786 -2.865 -13.411 1.00 0.00 C ATOM 860 CD ARG A 54 -5.574 -3.037 -14.712 1.00 0.00 C ATOM 861 NE ARG A 54 -6.728 -2.104 -14.589 1.00 0.00 N ATOM 862 CZ ARG A 54 -7.552 -1.948 -15.590 1.00 0.00 C ATOM 863 NH1 ARG A 54 -7.248 -1.140 -16.567 1.00 0.00 N ATOM 864 NH2 ARG A 54 -8.683 -2.601 -15.612 1.00 0.00 N ATOM 0 H ARG A 54 -4.079 -2.678 -10.569 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.409 -1.511 -11.862 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.933 -4.189 -11.708 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.414 -4.058 -12.637 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.611 -1.807 -13.217 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.808 -3.338 -13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.961 -2.794 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.910 -4.066 -14.837 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.875 -1.586 -13.722 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.366 -0.629 -16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.893 -1.019 -17.348 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.922 -3.232 -14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.327 -2.479 -16.394 1.00 0.00 H new ATOM 878 N LYS A 55 -6.976 -3.716 -9.503 1.00 0.00 N ATOM 879 CA LYS A 55 -8.084 -4.226 -8.644 1.00 0.00 C ATOM 880 C LYS A 55 -8.902 -3.055 -8.089 1.00 0.00 C ATOM 881 O LYS A 55 -8.383 -2.188 -7.413 1.00 0.00 O ATOM 882 CB LYS A 55 -7.387 -4.985 -7.516 1.00 0.00 C ATOM 883 CG LYS A 55 -7.529 -6.492 -7.746 1.00 0.00 C ATOM 884 CD LYS A 55 -6.905 -6.870 -9.092 1.00 0.00 C ATOM 885 CE LYS A 55 -5.534 -7.505 -8.860 1.00 0.00 C ATOM 886 NZ LYS A 55 -5.814 -8.951 -8.632 1.00 0.00 N ATOM 0 H LYS A 55 -6.048 -4.069 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.779 -4.862 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.333 -4.711 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.824 -4.711 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.040 -7.040 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.582 -6.774 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.554 -7.566 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.806 -5.985 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.881 -7.360 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.033 -7.059 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.920 -9.456 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.432 -9.058 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.285 -9.350 -9.469 1.00 0.00 H new ATOM 900 N LYS A 56 -10.174 -3.018 -8.380 1.00 0.00 N ATOM 901 CA LYS A 56 -11.025 -1.898 -7.884 1.00 0.00 C ATOM 902 C LYS A 56 -11.097 -1.899 -6.355 1.00 0.00 C ATOM 903 O LYS A 56 -11.537 -0.941 -5.750 1.00 0.00 O ATOM 904 CB LYS A 56 -12.405 -2.152 -8.490 1.00 0.00 C ATOM 905 CG LYS A 56 -12.304 -2.130 -10.015 1.00 0.00 C ATOM 906 CD LYS A 56 -13.685 -2.379 -10.623 1.00 0.00 C ATOM 907 CE LYS A 56 -13.842 -3.868 -10.937 1.00 0.00 C ATOM 908 NZ LYS A 56 -15.302 -4.134 -10.812 1.00 0.00 N ATOM 0 H LYS A 56 -10.662 -3.716 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.623 -0.926 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.790 -3.115 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.109 -1.392 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.916 -1.168 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.603 -2.893 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.463 -2.058 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.806 -1.790 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.482 -4.100 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.268 -4.481 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.491 -5.137 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.614 -3.910 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.822 -3.541 -11.490 1.00 0.00 H new ATOM 922 N TRP A 57 -10.662 -2.951 -5.718 1.00 0.00 N ATOM 923 CA TRP A 57 -10.706 -2.974 -4.231 1.00 0.00 C ATOM 924 C TRP A 57 -9.478 -2.227 -3.683 1.00 0.00 C ATOM 925 O TRP A 57 -9.499 -1.676 -2.600 1.00 0.00 O ATOM 926 CB TRP A 57 -10.720 -4.472 -3.845 1.00 0.00 C ATOM 927 CG TRP A 57 -9.328 -5.001 -3.663 1.00 0.00 C ATOM 928 CD1 TRP A 57 -8.664 -5.773 -4.552 1.00 0.00 C ATOM 929 CD2 TRP A 57 -8.427 -4.803 -2.536 1.00 0.00 C ATOM 930 NE1 TRP A 57 -7.408 -6.056 -4.045 1.00 0.00 N ATOM 931 CE2 TRP A 57 -7.216 -5.480 -2.805 1.00 0.00 C ATOM 932 CE3 TRP A 57 -8.541 -4.104 -1.321 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -6.156 -5.466 -1.899 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -7.475 -4.090 -0.406 1.00 0.00 C ATOM 935 CH2 TRP A 57 -6.284 -4.768 -0.697 1.00 0.00 C ATOM 0 H TRP A 57 -10.281 -3.788 -6.159 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.580 -2.475 -3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.286 -4.607 -2.923 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.231 -5.045 -4.619 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.050 -6.113 -5.502 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.710 -6.621 -4.528 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.454 -3.575 -1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.241 -5.992 -2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -7.574 -3.554 0.526 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.466 -4.751 0.008 1.00 0.00 H new ATOM 946 N VAL A 58 -8.414 -2.203 -4.444 1.00 0.00 N ATOM 947 CA VAL A 58 -7.183 -1.492 -3.995 1.00 0.00 C ATOM 948 C VAL A 58 -7.416 0.018 -4.035 1.00 0.00 C ATOM 949 O VAL A 58 -7.181 0.715 -3.068 1.00 0.00 O ATOM 950 CB VAL A 58 -6.105 -1.890 -5.002 1.00 0.00 C ATOM 951 CG1 VAL A 58 -4.829 -1.088 -4.743 1.00 0.00 C ATOM 952 CG2 VAL A 58 -5.796 -3.380 -4.854 1.00 0.00 C ATOM 0 H VAL A 58 -8.346 -2.647 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.901 -1.751 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.465 -1.683 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.065 -1.377 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.041 -0.024 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.470 -1.291 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.027 -3.665 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.440 -3.579 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.700 -3.959 -5.041 1.00 0.00 H new ATOM 962 N GLN A 59 -7.894 0.532 -5.139 1.00 0.00 N ATOM 963 CA GLN A 59 -8.154 1.995 -5.211 1.00 0.00 C ATOM 964 C GLN A 59 -9.120 2.374 -4.093 1.00 0.00 C ATOM 965 O GLN A 59 -9.159 3.502 -3.639 1.00 0.00 O ATOM 966 CB GLN A 59 -8.782 2.238 -6.588 1.00 0.00 C ATOM 967 CG GLN A 59 -9.963 1.287 -6.802 1.00 0.00 C ATOM 968 CD GLN A 59 -11.266 2.088 -6.820 1.00 0.00 C ATOM 969 OE1 GLN A 59 -11.699 2.589 -5.802 1.00 0.00 O ATOM 970 NE2 GLN A 59 -11.914 2.229 -7.944 1.00 0.00 N ATOM 0 H GLN A 59 -8.113 0.005 -5.985 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.252 2.594 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.119 3.272 -6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.036 2.086 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.843 0.746 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.993 0.542 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.550 1.808 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.784 2.760 -7.968 1.00 0.00 H new ATOM 979 N LYS A 60 -9.889 1.424 -3.628 1.00 0.00 N ATOM 980 CA LYS A 60 -10.837 1.709 -2.525 1.00 0.00 C ATOM 981 C LYS A 60 -10.067 1.800 -1.208 1.00 0.00 C ATOM 982 O LYS A 60 -10.385 2.596 -0.345 1.00 0.00 O ATOM 983 CB LYS A 60 -11.802 0.522 -2.508 1.00 0.00 C ATOM 984 CG LYS A 60 -13.229 1.029 -2.295 1.00 0.00 C ATOM 985 CD LYS A 60 -14.215 0.096 -3.000 1.00 0.00 C ATOM 986 CE LYS A 60 -15.376 -0.229 -2.057 1.00 0.00 C ATOM 987 NZ LYS A 60 -15.871 -1.562 -2.502 1.00 0.00 N ATOM 0 H LYS A 60 -9.897 0.463 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.369 2.651 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.736 -0.028 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.528 -0.172 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.454 1.075 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.328 2.042 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.591 0.567 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.711 -0.822 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.045 -0.257 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.160 0.525 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.669 -1.854 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.185 -1.503 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.105 -2.261 -2.423 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.048 0.995 -1.045 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.259 1.051 0.218 1.00 0.00 C ATOM 1003 C TYR A 61 -7.339 2.269 0.204 1.00 0.00 C ATOM 1004 O TYR A 61 -7.121 2.902 1.216 1.00 0.00 O ATOM 1005 CB TYR A 61 -7.446 -0.243 0.241 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.157 -1.269 1.089 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -9.427 -1.725 0.717 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -7.546 -1.765 2.246 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.086 -2.678 1.503 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -8.206 -2.719 3.031 1.00 0.00 C ATOM 1011 CZ TYR A 61 -9.476 -3.174 2.660 1.00 0.00 C ATOM 1012 OH TYR A 61 -10.125 -4.113 3.435 1.00 0.00 O ATOM 0 H TYR A 61 -8.731 0.307 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.893 1.141 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.315 -0.621 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.450 -0.052 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.898 -1.342 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.566 -1.413 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.066 -3.030 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.734 -3.104 3.923 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.649 -4.222 4.285 1.00 0.00 H new ATOM 1022 N ILE A 62 -6.807 2.611 -0.935 1.00 0.00 N ATOM 1023 CA ILE A 62 -5.912 3.801 -1.001 1.00 0.00 C ATOM 1024 C ILE A 62 -6.701 5.049 -0.605 1.00 0.00 C ATOM 1025 O ILE A 62 -6.259 5.846 0.199 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.456 3.885 -2.458 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.698 2.610 -2.832 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.531 5.092 -2.634 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.378 2.631 -4.327 1.00 0.00 C ATOM 0 H ILE A 62 -6.951 2.122 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.060 3.725 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.328 3.994 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.778 2.537 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.297 1.733 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.205 5.153 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.067 6.003 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.661 4.981 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.838 1.723 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.306 2.684 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.762 3.501 -4.555 1.00 0.00 H new ATOM 1041 N SER A 63 -7.875 5.217 -1.152 1.00 0.00 N ATOM 1042 CA SER A 63 -8.696 6.406 -0.788 1.00 0.00 C ATOM 1043 C SER A 63 -9.017 6.358 0.706 1.00 0.00 C ATOM 1044 O SER A 63 -8.803 7.310 1.429 1.00 0.00 O ATOM 1045 CB SER A 63 -9.971 6.284 -1.621 1.00 0.00 C ATOM 1046 OG SER A 63 -9.625 6.054 -2.980 1.00 0.00 O ATOM 0 H SER A 63 -8.299 4.585 -1.832 1.00 0.00 H new ATOM 0 HA SER A 63 -8.184 7.349 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.586 5.466 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.564 7.194 -1.534 1.00 0.00 H new ATOM 0 HG SER A 63 -9.691 5.096 -3.177 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.515 5.245 1.176 1.00 0.00 N ATOM 1053 CA LEU A 64 -9.829 5.133 2.627 1.00 0.00 C ATOM 1054 C LEU A 64 -8.558 5.380 3.439 1.00 0.00 C ATOM 1055 O LEU A 64 -8.545 6.150 4.379 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.324 3.698 2.818 1.00 0.00 C ATOM 1057 CG LEU A 64 -11.804 3.716 3.199 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.534 2.588 2.468 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -11.941 3.517 4.710 1.00 0.00 C ATOM 0 H LEU A 64 -9.716 4.414 0.620 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.573 5.858 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.181 3.127 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.743 3.202 3.596 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.241 4.673 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.589 2.601 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.435 2.728 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.099 1.630 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.996 3.529 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.504 2.559 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.421 4.321 5.231 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.481 4.736 3.074 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.204 4.940 3.815 1.00 0.00 C ATOM 1073 C LEU A 65 -5.527 6.235 3.358 1.00 0.00 C ATOM 1074 O LEU A 65 -4.454 6.217 2.792 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.331 3.731 3.459 1.00 0.00 C ATOM 1076 CG LEU A 65 -5.790 2.495 4.241 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.830 1.334 3.968 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -5.788 2.805 5.739 1.00 0.00 C ATOM 0 H LEU A 65 -7.431 4.079 2.296 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.366 5.023 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.389 3.535 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.287 3.947 3.687 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.797 2.223 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.155 0.454 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.826 1.108 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.824 1.611 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.115 1.925 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.780 3.078 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.468 3.633 5.940 1.00 0.00 H new ATOM 1090 N LYS A 66 -6.142 7.360 3.597 1.00 0.00 N ATOM 1091 CA LYS A 66 -5.526 8.649 3.171 1.00 0.00 C ATOM 1092 C LYS A 66 -4.600 9.190 4.268 1.00 0.00 C ATOM 1093 O LYS A 66 -4.587 10.372 4.552 1.00 0.00 O ATOM 1094 CB LYS A 66 -6.704 9.597 2.951 1.00 0.00 C ATOM 1095 CG LYS A 66 -6.504 10.366 1.642 1.00 0.00 C ATOM 1096 CD LYS A 66 -5.647 11.606 1.901 1.00 0.00 C ATOM 1097 CE LYS A 66 -5.226 12.223 0.566 1.00 0.00 C ATOM 1098 NZ LYS A 66 -3.934 12.909 0.849 1.00 0.00 N ATOM 0 H LYS A 66 -7.043 7.443 4.068 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.918 8.535 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.636 9.033 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.785 10.294 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.022 9.726 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.469 10.659 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.208 12.333 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.766 11.337 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.107 11.459 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.975 12.926 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.581 13.357 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.079 13.636 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.238 12.214 1.187 1.00 0.00 H new ATOM 1112 N THR A 67 -3.821 8.340 4.882 1.00 0.00 N ATOM 1113 CA THR A 67 -2.899 8.813 5.951 1.00 0.00 C ATOM 1114 C THR A 67 -1.639 9.465 5.353 1.00 0.00 C ATOM 1115 O THR A 67 -1.213 10.501 5.827 1.00 0.00 O ATOM 1116 CB THR A 67 -2.539 7.566 6.761 1.00 0.00 C ATOM 1117 OG1 THR A 67 -3.729 6.968 7.256 1.00 0.00 O ATOM 1118 CG2 THR A 67 -1.639 7.958 7.934 1.00 0.00 C ATOM 0 H THR A 67 -3.784 7.339 4.688 1.00 0.00 H new ATOM 0 HA THR A 67 -3.367 9.577 6.572 1.00 0.00 H new ATOM 0 HB THR A 67 -2.011 6.857 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.502 6.168 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.384 7.068 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.727 8.419 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.164 8.666 8.575 1.00 0.00 H new ATOM 1126 N PRO A 68 -1.066 8.855 4.335 1.00 0.00 N ATOM 1127 CA PRO A 68 0.151 9.433 3.718 1.00 0.00 C ATOM 1128 C PRO A 68 -0.219 10.635 2.844 1.00 0.00 C ATOM 1129 O PRO A 68 -1.318 10.728 2.336 1.00 0.00 O ATOM 1130 CB PRO A 68 0.708 8.293 2.874 1.00 0.00 C ATOM 1131 CG PRO A 68 -0.466 7.420 2.565 1.00 0.00 C ATOM 1132 CD PRO A 68 -1.474 7.605 3.670 1.00 0.00 C ATOM 0 HA PRO A 68 0.872 9.798 4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.170 8.669 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.476 7.742 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.900 7.688 1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.160 6.376 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.487 7.678 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.462 6.764 4.363 1.00 0.00 H new ATOM 1140 N LYS A 69 0.689 11.555 2.669 1.00 0.00 N ATOM 1141 CA LYS A 69 0.387 12.750 1.832 1.00 0.00 C ATOM 1142 C LYS A 69 1.683 13.365 1.296 1.00 0.00 C ATOM 1143 O LYS A 69 2.762 13.069 1.767 1.00 0.00 O ATOM 1144 CB LYS A 69 -0.320 13.724 2.775 1.00 0.00 C ATOM 1145 CG LYS A 69 0.579 14.013 3.978 1.00 0.00 C ATOM 1146 CD LYS A 69 0.511 15.503 4.322 1.00 0.00 C ATOM 1147 CE LYS A 69 1.865 15.962 4.870 1.00 0.00 C ATOM 1148 NZ LYS A 69 1.589 16.384 6.271 1.00 0.00 N ATOM 0 H LYS A 69 1.627 11.531 3.069 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.226 12.503 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.552 14.651 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.267 13.301 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.262 13.417 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.607 13.727 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.251 16.081 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.271 15.682 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.598 15.156 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.270 16.785 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.470 16.712 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.893 17.157 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.211 15.578 6.808 1.00 0.00 H new ATOM 1162 N GLN A 70 1.584 14.220 0.316 1.00 0.00 N ATOM 1163 CA GLN A 70 2.811 14.854 -0.246 1.00 0.00 C ATOM 1164 C GLN A 70 2.511 16.291 -0.682 1.00 0.00 C ATOM 1165 O GLN A 70 1.647 16.534 -1.500 1.00 0.00 O ATOM 1166 CB GLN A 70 3.182 13.994 -1.454 1.00 0.00 C ATOM 1167 CG GLN A 70 4.688 13.726 -1.449 1.00 0.00 C ATOM 1168 CD GLN A 70 4.983 12.454 -2.246 1.00 0.00 C ATOM 1169 OE1 GLN A 70 5.908 11.730 -1.938 1.00 0.00 O ATOM 1170 NE2 GLN A 70 4.230 12.151 -3.268 1.00 0.00 N ATOM 0 H GLN A 70 0.708 14.507 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 70 3.620 14.906 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.635 13.052 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.895 14.500 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.220 14.572 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.045 13.617 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.453 12.759 -3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.419 11.306 -3.808 1.00 0.00 H new ATOM 1179 N LEU A 71 3.219 17.245 -0.141 1.00 0.00 N ATOM 1180 CA LEU A 71 2.972 18.665 -0.526 1.00 0.00 C ATOM 1181 C LEU A 71 3.684 18.987 -1.843 1.00 0.00 C ATOM 1182 O LEU A 71 4.520 18.198 -2.250 1.00 0.00 O ATOM 1183 CB LEU A 71 3.561 19.491 0.618 1.00 0.00 C ATOM 1184 CG LEU A 71 2.684 20.720 0.862 1.00 0.00 C ATOM 1185 CD1 LEU A 71 1.394 20.296 1.565 1.00 0.00 C ATOM 1186 CD2 LEU A 71 3.441 21.716 1.746 1.00 0.00 C ATOM 1187 OXT LEU A 71 3.378 20.018 -2.420 1.00 0.00 O ATOM 0 H LEU A 71 3.956 17.104 0.549 1.00 0.00 H new ATOM 0 HA LEU A 71 1.913 18.875 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.620 18.887 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.577 19.799 0.373 1.00 0.00 H new ATOM 0 HG LEU A 71 2.441 21.188 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.769 21.172 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.855 19.585 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.636 19.828 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.818 22.593 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.683 21.246 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.362 22.019 1.247 1.00 0.00 H new TER 1199 LEU A 71