USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 25 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.77) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 152:sc= -0.0913 (180deg=-0.443) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= -0.426 (180deg=-1.42!) USER MOD Single : A 42 SER OG : rot 120:sc= -0.412 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -109:sc= -1.74 USER MOD Single : A 48 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-4.5!) USER MOD Single : A 49 MET CE :methyl -172:sc= -9.7! (180deg=-10!) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0052) USER MOD Single : A 54 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-4.7!) USER MOD Single : A 63 SER OG : rot 32:sc= 0.00881 USER MOD Single : A 64 GLN : amide:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 69 SER OG : rot 117:sc= 2.02 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -1.49 (180deg=-2.18!) USER MOD Single : A 77 MET CE :methyl -132:sc= -0.879 (180deg=-3.02!) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -5.34! (180deg=-7.05!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -1.42 (180deg=-1.94) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.277 -3.582 1.307 1.00 0.00 N ATOM 45 CA CYS A 24 -11.056 -4.117 0.718 1.00 0.00 C ATOM 46 C CYS A 24 -9.896 -4.021 1.707 1.00 0.00 C ATOM 47 O CYS A 24 -9.994 -3.340 2.729 1.00 0.00 O ATOM 48 CB CYS A 24 -10.720 -3.370 -0.576 1.00 0.00 C ATOM 49 SG CYS A 24 -12.094 -3.277 -1.748 1.00 0.00 S ATOM 0 HA CYS A 24 -11.218 -5.169 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.399 -2.359 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.876 -3.862 -1.059 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.717 -2.627 -2.808 1.00 0.00 H new ATOM 55 N GLN A 25 -8.798 -4.705 1.398 1.00 0.00 N ATOM 56 CA GLN A 25 -7.626 -4.707 2.262 1.00 0.00 C ATOM 57 C GLN A 25 -6.433 -5.313 1.533 1.00 0.00 C ATOM 58 O GLN A 25 -6.538 -6.384 0.933 1.00 0.00 O ATOM 59 CB GLN A 25 -7.918 -5.488 3.545 1.00 0.00 C ATOM 60 CG GLN A 25 -8.327 -6.932 3.298 1.00 0.00 C ATOM 61 CD GLN A 25 -8.954 -7.590 4.516 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.800 -8.475 4.387 1.00 0.00 O ATOM 63 NE2 GLN A 25 -8.543 -7.165 5.708 1.00 0.00 N ATOM 0 H GLN A 25 -8.697 -5.266 0.552 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.384 -3.678 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.032 -5.473 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.712 -4.983 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.034 -6.966 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.451 -7.505 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.840 -6.429 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.931 -7.575 6.557 1.00 0.00 H new ATOM 72 N LEU A 26 -5.301 -4.625 1.588 1.00 0.00 N ATOM 73 CA LEU A 26 -4.088 -5.093 0.915 1.00 0.00 C ATOM 74 C LEU A 26 -2.900 -5.125 1.872 1.00 0.00 C ATOM 75 O LEU A 26 -2.755 -4.250 2.726 1.00 0.00 O ATOM 76 CB LEU A 26 -3.781 -4.188 -0.283 1.00 0.00 C ATOM 77 CG LEU A 26 -3.160 -4.889 -1.495 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.148 -3.961 -2.699 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.755 -5.363 -1.177 1.00 0.00 C ATOM 0 H LEU A 26 -5.193 -3.743 2.089 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.260 -6.111 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.706 -3.706 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.105 -3.398 0.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.770 -5.760 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.703 -4.476 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.169 -3.670 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.563 -3.071 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.332 -5.858 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.135 -4.508 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.788 -6.064 -0.343 1.00 0.00 H new ATOM 91 N ARG A 27 -2.049 -6.141 1.722 1.00 0.00 N ATOM 92 CA ARG A 27 -0.878 -6.291 2.576 1.00 0.00 C ATOM 93 C ARG A 27 0.306 -5.493 2.031 1.00 0.00 C ATOM 94 O ARG A 27 0.456 -5.336 0.822 1.00 0.00 O ATOM 95 CB ARG A 27 -0.488 -7.767 2.688 1.00 0.00 C ATOM 96 CG ARG A 27 -1.549 -8.643 3.334 1.00 0.00 C ATOM 97 CD ARG A 27 -1.179 -10.115 3.252 1.00 0.00 C ATOM 98 NE ARG A 27 0.055 -10.409 3.975 1.00 0.00 N ATOM 99 CZ ARG A 27 0.411 -11.629 4.370 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.369 -12.672 4.115 1.00 0.00 N ATOM 101 NH2 ARG A 27 1.551 -11.807 5.023 1.00 0.00 N ATOM 0 H ARG A 27 -2.152 -6.870 1.016 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.134 -5.906 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.273 -8.151 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.433 -7.845 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.674 -8.355 4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.507 -8.479 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.991 -10.716 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.064 -10.403 2.207 1.00 0.00 H new ATOM 0 HE ARG A 27 0.681 -9.633 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.247 -12.541 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.090 -13.604 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.154 -11.009 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.825 -12.742 5.326 1.00 0.00 H new ATOM 115 N LEU A 28 1.144 -4.990 2.934 1.00 0.00 N ATOM 116 CA LEU A 28 2.329 -4.228 2.544 1.00 0.00 C ATOM 117 C LEU A 28 3.586 -4.921 3.037 1.00 0.00 C ATOM 118 O LEU A 28 3.558 -5.617 4.048 1.00 0.00 O ATOM 119 CB LEU A 28 2.299 -2.812 3.126 1.00 0.00 C ATOM 120 CG LEU A 28 1.466 -1.779 2.363 1.00 0.00 C ATOM 121 CD1 LEU A 28 2.370 -0.932 1.484 1.00 0.00 C ATOM 122 CD2 LEU A 28 0.380 -2.447 1.529 1.00 0.00 C ATOM 0 H LEU A 28 1.025 -5.096 3.941 1.00 0.00 H new ATOM 0 HA LEU A 28 2.331 -4.168 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.920 -2.870 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.324 -2.446 3.187 1.00 0.00 H new ATOM 0 HG LEU A 28 0.972 -1.135 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.770 -0.199 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.101 -0.415 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.888 -1.573 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.193 -1.685 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.839 -3.122 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.285 -3.012 2.182 1.00 0.00 H new ATOM 134 N ARG A 29 4.682 -4.724 2.316 1.00 0.00 N ATOM 135 CA ARG A 29 5.967 -5.308 2.699 1.00 0.00 C ATOM 136 C ARG A 29 7.056 -4.241 2.650 1.00 0.00 C ATOM 137 O ARG A 29 7.578 -3.931 1.577 1.00 0.00 O ATOM 138 CB ARG A 29 6.322 -6.474 1.778 1.00 0.00 C ATOM 139 CG ARG A 29 7.660 -7.120 2.099 1.00 0.00 C ATOM 140 CD ARG A 29 7.944 -8.297 1.180 1.00 0.00 C ATOM 141 NE ARG A 29 9.229 -8.926 1.477 1.00 0.00 N ATOM 142 CZ ARG A 29 9.617 -10.094 0.968 1.00 0.00 C ATOM 143 NH1 ARG A 29 8.820 -10.763 0.144 1.00 0.00 N ATOM 144 NH2 ARG A 29 10.803 -10.594 1.286 1.00 0.00 N ATOM 0 H ARG A 29 4.710 -4.165 1.463 1.00 0.00 H new ATOM 0 HA ARG A 29 5.890 -5.689 3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.539 -7.229 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.337 -6.120 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.455 -6.381 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.663 -7.457 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.148 -9.035 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.937 -7.958 0.144 1.00 0.00 H new ATOM 0 HE ARG A 29 9.866 -8.443 2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.906 -10.383 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.122 -11.657 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.418 -10.084 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.100 -11.488 0.896 1.00 0.00 H new ATOM 158 N LEU A 30 7.415 -3.692 3.814 1.00 0.00 N ATOM 159 CA LEU A 30 8.415 -2.633 3.866 1.00 0.00 C ATOM 160 C LEU A 30 9.829 -3.186 3.960 1.00 0.00 C ATOM 161 O LEU A 30 10.076 -4.210 4.596 1.00 0.00 O ATOM 162 CB LEU A 30 8.143 -1.678 5.029 1.00 0.00 C ATOM 163 CG LEU A 30 6.906 -0.770 4.912 1.00 0.00 C ATOM 164 CD1 LEU A 30 7.207 0.433 4.032 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.684 -1.536 4.416 1.00 0.00 C ATOM 0 H LEU A 30 7.031 -3.962 4.720 1.00 0.00 H new ATOM 0 HA LEU A 30 8.337 -2.079 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.043 -2.271 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.019 -1.042 5.157 1.00 0.00 H new ATOM 0 HG LEU A 30 6.664 -0.407 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.320 1.063 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.026 1.006 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.491 0.093 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.833 -0.858 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.893 -1.957 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.452 -2.341 5.113 1.00 0.00 H new ATOM 177 N SER A 31 10.754 -2.474 3.315 1.00 0.00 N ATOM 178 CA SER A 31 12.160 -2.855 3.292 1.00 0.00 C ATOM 179 C SER A 31 12.715 -3.033 4.701 1.00 0.00 C ATOM 180 O SER A 31 13.756 -3.663 4.886 1.00 0.00 O ATOM 181 CB SER A 31 12.980 -1.805 2.540 1.00 0.00 C ATOM 182 OG SER A 31 12.876 -0.536 3.160 1.00 0.00 O ATOM 0 H SER A 31 10.547 -1.620 2.797 1.00 0.00 H new ATOM 0 HA SER A 31 12.235 -3.812 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.025 -2.112 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.633 -1.739 1.509 1.00 0.00 H new ATOM 0 HG SER A 31 13.411 0.116 2.662 1.00 0.00 H new ATOM 188 N THR A 32 12.026 -2.477 5.696 1.00 0.00 N ATOM 189 CA THR A 32 12.468 -2.606 7.075 1.00 0.00 C ATOM 190 C THR A 32 11.826 -3.827 7.722 1.00 0.00 C ATOM 191 O THR A 32 11.894 -4.011 8.936 1.00 0.00 O ATOM 192 CB THR A 32 12.117 -1.354 7.902 1.00 0.00 C ATOM 193 OG1 THR A 32 10.699 -1.149 7.906 1.00 0.00 O ATOM 194 CG2 THR A 32 12.811 -0.123 7.340 1.00 0.00 C ATOM 0 H THR A 32 11.169 -1.939 5.571 1.00 0.00 H new ATOM 0 HA THR A 32 13.552 -2.720 7.060 1.00 0.00 H new ATOM 0 HB THR A 32 12.463 -1.512 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.485 -0.352 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.548 0.748 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.891 -0.270 7.367 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.492 0.036 6.310 1.00 0.00 H new ATOM 202 N GLY A 33 11.200 -4.660 6.892 1.00 0.00 N ATOM 203 CA GLY A 33 10.541 -5.843 7.389 1.00 0.00 C ATOM 204 C GLY A 33 9.190 -5.493 7.953 1.00 0.00 C ATOM 205 O GLY A 33 8.763 -6.053 8.963 1.00 0.00 O ATOM 0 H GLY A 33 11.141 -4.530 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.429 -6.570 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.153 -6.312 8.159 1.00 0.00 H new ATOM 209 N LYS A 34 8.509 -4.558 7.294 1.00 0.00 N ATOM 210 CA LYS A 34 7.209 -4.115 7.758 1.00 0.00 C ATOM 211 C LYS A 34 6.092 -4.648 6.876 1.00 0.00 C ATOM 212 O LYS A 34 5.730 -4.044 5.870 1.00 0.00 O ATOM 213 CB LYS A 34 7.175 -2.587 7.827 1.00 0.00 C ATOM 214 CG LYS A 34 6.526 -2.050 9.088 1.00 0.00 C ATOM 215 CD LYS A 34 5.151 -2.632 9.310 1.00 0.00 C ATOM 216 CE LYS A 34 4.232 -2.337 8.148 1.00 0.00 C ATOM 217 NZ LYS A 34 3.871 -0.895 8.068 1.00 0.00 N ATOM 0 H LYS A 34 8.838 -4.099 6.444 1.00 0.00 H new ATOM 0 HA LYS A 34 7.046 -4.516 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.194 -2.206 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.636 -2.204 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.159 -2.278 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.454 -0.964 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.229 -3.710 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.725 -2.222 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.715 -2.641 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.324 -2.932 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.938 -0.795 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.839 -0.492 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.583 -0.390 7.503 1.00 0.00 H new ATOM 231 N ASP A 35 5.546 -5.791 7.271 1.00 0.00 N ATOM 232 CA ASP A 35 4.467 -6.417 6.531 1.00 0.00 C ATOM 233 C ASP A 35 3.155 -6.256 7.280 1.00 0.00 C ATOM 234 O ASP A 35 2.917 -6.910 8.294 1.00 0.00 O ATOM 235 CB ASP A 35 4.761 -7.898 6.296 1.00 0.00 C ATOM 236 CG ASP A 35 4.953 -8.662 7.592 1.00 0.00 C ATOM 237 OD1 ASP A 35 6.105 -8.742 8.069 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.952 -9.181 8.129 1.00 0.00 O ATOM 0 H ASP A 35 5.837 -6.302 8.104 1.00 0.00 H new ATOM 0 HA ASP A 35 4.384 -5.925 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.941 -8.344 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.658 -7.995 5.684 1.00 0.00 H new ATOM 243 N LEU A 36 2.309 -5.378 6.768 1.00 0.00 N ATOM 244 CA LEU A 36 1.018 -5.112 7.385 1.00 0.00 C ATOM 245 C LEU A 36 -0.033 -4.820 6.326 1.00 0.00 C ATOM 246 O LEU A 36 0.267 -4.248 5.279 1.00 0.00 O ATOM 247 CB LEU A 36 1.122 -3.935 8.356 1.00 0.00 C ATOM 248 CG LEU A 36 -0.165 -3.606 9.113 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.598 -4.787 9.967 1.00 0.00 C ATOM 250 CD2 LEU A 36 0.027 -2.366 9.974 1.00 0.00 C ATOM 0 H LEU A 36 2.493 -4.835 5.924 1.00 0.00 H new ATOM 0 HA LEU A 36 0.717 -6.001 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.907 -4.150 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.435 -3.051 7.800 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.951 -3.402 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.516 -4.535 10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.775 -5.652 9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.186 -5.022 10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.898 -2.146 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.826 -2.543 10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.291 -1.520 9.340 1.00 0.00 H new ATOM 262 N LYS A 37 -1.264 -5.215 6.609 1.00 0.00 N ATOM 263 CA LYS A 37 -2.362 -5.003 5.682 1.00 0.00 C ATOM 264 C LYS A 37 -3.287 -3.896 6.168 1.00 0.00 C ATOM 265 O LYS A 37 -3.815 -3.950 7.279 1.00 0.00 O ATOM 266 CB LYS A 37 -3.135 -6.314 5.491 1.00 0.00 C ATOM 267 CG LYS A 37 -4.572 -6.141 5.014 1.00 0.00 C ATOM 268 CD LYS A 37 -5.356 -7.438 5.136 1.00 0.00 C ATOM 269 CE LYS A 37 -5.408 -7.923 6.576 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.744 -6.823 7.523 1.00 0.00 N ATOM 0 H LYS A 37 -1.527 -5.685 7.475 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.952 -4.688 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.600 -6.934 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.143 -6.857 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.060 -5.362 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.575 -5.808 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.370 -7.288 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.897 -8.203 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.149 -8.717 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.445 -8.354 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.223 -7.218 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.871 -6.342 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.373 -6.141 7.053 1.00 0.00 H new ATOM 284 N LEU A 38 -3.475 -2.893 5.321 1.00 0.00 N ATOM 285 CA LEU A 38 -4.344 -1.773 5.641 1.00 0.00 C ATOM 286 C LEU A 38 -5.719 -1.978 5.010 1.00 0.00 C ATOM 287 O LEU A 38 -5.846 -2.612 3.957 1.00 0.00 O ATOM 288 CB LEU A 38 -3.725 -0.460 5.142 1.00 0.00 C ATOM 289 CG LEU A 38 -4.717 0.685 4.916 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.106 1.333 6.235 1.00 0.00 C ATOM 291 CD2 LEU A 38 -4.124 1.707 3.970 1.00 0.00 C ATOM 0 H LEU A 38 -3.034 -2.834 4.403 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.458 -1.717 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.976 -0.133 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.202 -0.656 4.206 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.622 0.276 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.811 2.143 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.571 0.589 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.216 1.732 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.837 2.517 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.205 2.109 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.902 1.232 3.014 1.00 0.00 H new ATOM 303 N VAL A 39 -6.742 -1.434 5.663 1.00 0.00 N ATOM 304 CA VAL A 39 -8.107 -1.536 5.168 1.00 0.00 C ATOM 305 C VAL A 39 -8.379 -0.458 4.124 1.00 0.00 C ATOM 306 O VAL A 39 -8.345 0.735 4.421 1.00 0.00 O ATOM 307 CB VAL A 39 -9.135 -1.417 6.310 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.949 -2.543 7.315 1.00 0.00 C ATOM 309 CG2 VAL A 39 -9.033 -0.062 6.997 1.00 0.00 C ATOM 0 H VAL A 39 -6.649 -0.918 6.538 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.213 -2.520 4.711 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.132 -1.501 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.684 -2.443 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.085 -3.502 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.945 -2.492 7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.769 -0.004 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.033 0.061 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.224 0.729 6.272 1.00 0.00 H new ATOM 319 N VAL A 40 -8.645 -0.891 2.899 1.00 0.00 N ATOM 320 CA VAL A 40 -8.920 0.025 1.801 1.00 0.00 C ATOM 321 C VAL A 40 -10.289 -0.260 1.200 1.00 0.00 C ATOM 322 O VAL A 40 -10.902 -1.286 1.493 1.00 0.00 O ATOM 323 CB VAL A 40 -7.841 -0.081 0.705 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.532 0.523 1.185 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.643 -1.529 0.292 1.00 0.00 C ATOM 0 H VAL A 40 -8.676 -1.877 2.640 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.908 1.038 2.204 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.178 0.481 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.782 0.439 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.685 1.574 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.189 -0.010 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.878 -1.585 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.328 -2.114 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.581 -1.929 -0.095 1.00 0.00 H new ATOM 335 N ARG A 41 -10.747 0.629 0.329 1.00 0.00 N ATOM 336 CA ARG A 41 -12.051 0.473 -0.291 1.00 0.00 C ATOM 337 C ARG A 41 -12.137 1.225 -1.617 1.00 0.00 C ATOM 338 O ARG A 41 -12.452 2.410 -1.637 1.00 0.00 O ATOM 339 CB ARG A 41 -13.140 0.966 0.662 1.00 0.00 C ATOM 340 CG ARG A 41 -14.543 0.900 0.083 1.00 0.00 C ATOM 341 CD ARG A 41 -15.561 1.504 1.034 1.00 0.00 C ATOM 342 NE ARG A 41 -16.932 1.293 0.577 1.00 0.00 N ATOM 343 CZ ARG A 41 -18.009 1.553 1.314 1.00 0.00 C ATOM 344 NH1 ARG A 41 -17.879 2.034 2.545 1.00 0.00 N ATOM 345 NH2 ARG A 41 -19.220 1.332 0.822 1.00 0.00 N ATOM 0 H ARG A 41 -10.235 1.462 0.038 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.199 -0.586 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.106 0.371 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.922 1.996 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.571 1.431 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.805 -0.138 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.437 1.064 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.373 2.573 1.134 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.072 0.924 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.950 2.206 2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.708 2.232 3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.327 0.962 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.045 1.532 1.388 1.00 0.00 H new ATOM 359 N SER A 42 -11.840 0.515 -2.706 1.00 0.00 N ATOM 360 CA SER A 42 -11.884 1.047 -4.080 1.00 0.00 C ATOM 361 C SER A 42 -11.306 2.460 -4.232 1.00 0.00 C ATOM 362 O SER A 42 -10.503 2.706 -5.132 1.00 0.00 O ATOM 363 CB SER A 42 -13.326 1.037 -4.588 1.00 0.00 C ATOM 364 OG SER A 42 -13.438 1.727 -5.822 1.00 0.00 O ATOM 0 H SER A 42 -11.556 -0.464 -2.664 1.00 0.00 H new ATOM 0 HA SER A 42 -11.248 0.391 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.664 0.008 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.979 1.501 -3.848 1.00 0.00 H new ATOM 0 HG SER A 42 -13.774 1.115 -6.510 1.00 0.00 H new ATOM 370 N THR A 43 -11.702 3.381 -3.367 1.00 0.00 N ATOM 371 CA THR A 43 -11.193 4.741 -3.419 1.00 0.00 C ATOM 372 C THR A 43 -9.958 4.882 -2.538 1.00 0.00 C ATOM 373 O THR A 43 -9.263 5.896 -2.586 1.00 0.00 O ATOM 374 CB THR A 43 -12.260 5.758 -2.968 1.00 0.00 C ATOM 375 OG1 THR A 43 -13.454 5.590 -3.743 1.00 0.00 O ATOM 376 CG2 THR A 43 -11.752 7.184 -3.118 1.00 0.00 C ATOM 0 H THR A 43 -12.375 3.210 -2.620 1.00 0.00 H new ATOM 0 HA THR A 43 -10.928 4.951 -4.455 1.00 0.00 H new ATOM 0 HB THR A 43 -12.478 5.577 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.128 6.238 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.524 7.881 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.860 7.319 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.507 7.375 -4.163 1.00 0.00 H new ATOM 384 N ASP A 44 -9.687 3.857 -1.733 1.00 0.00 N ATOM 385 CA ASP A 44 -8.533 3.875 -0.844 1.00 0.00 C ATOM 386 C ASP A 44 -7.343 3.142 -1.473 1.00 0.00 C ATOM 387 O ASP A 44 -6.552 2.509 -0.775 1.00 0.00 O ATOM 388 CB ASP A 44 -8.892 3.245 0.504 1.00 0.00 C ATOM 389 CG ASP A 44 -8.545 4.146 1.673 1.00 0.00 C ATOM 390 OD1 ASP A 44 -9.409 4.955 2.076 1.00 0.00 O ATOM 391 OD2 ASP A 44 -7.412 4.045 2.186 1.00 0.00 O ATOM 0 H ASP A 44 -10.250 3.008 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.245 4.914 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.959 3.021 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.365 2.297 0.611 1.00 0.00 H new ATOM 396 N THR A 45 -7.227 3.240 -2.798 1.00 0.00 N ATOM 397 CA THR A 45 -6.138 2.597 -3.536 1.00 0.00 C ATOM 398 C THR A 45 -4.775 2.992 -2.976 1.00 0.00 C ATOM 399 O THR A 45 -4.690 3.865 -2.122 1.00 0.00 O ATOM 400 CB THR A 45 -6.187 2.981 -5.025 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.984 4.392 -5.171 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.523 2.592 -5.633 1.00 0.00 C ATOM 0 H THR A 45 -7.878 3.762 -3.385 1.00 0.00 H new ATOM 0 HA THR A 45 -6.272 1.521 -3.426 1.00 0.00 H new ATOM 0 HB THR A 45 -5.395 2.444 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.824 4.817 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.539 2.872 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.665 1.515 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.326 3.110 -5.108 1.00 0.00 H new ATOM 410 N VAL A 46 -3.721 2.350 -3.476 1.00 0.00 N ATOM 411 CA VAL A 46 -2.340 2.605 -3.041 1.00 0.00 C ATOM 412 C VAL A 46 -2.099 4.051 -2.578 1.00 0.00 C ATOM 413 O VAL A 46 -1.262 4.287 -1.713 1.00 0.00 O ATOM 414 CB VAL A 46 -1.330 2.227 -4.155 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.103 3.126 -4.129 1.00 0.00 C ATOM 416 CG2 VAL A 46 -0.919 0.762 -4.018 1.00 0.00 C ATOM 0 H VAL A 46 -3.796 1.634 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.180 1.967 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.824 2.372 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.582 2.830 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.408 4.162 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.397 3.031 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.210 0.508 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.453 0.604 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.801 0.127 -4.105 1.00 0.00 H new ATOM 426 N PHE A 47 -2.815 5.013 -3.150 1.00 0.00 N ATOM 427 CA PHE A 47 -2.660 6.409 -2.746 1.00 0.00 C ATOM 428 C PHE A 47 -3.126 6.571 -1.317 1.00 0.00 C ATOM 429 O PHE A 47 -2.349 6.942 -0.439 1.00 0.00 O ATOM 430 CB PHE A 47 -3.446 7.331 -3.674 1.00 0.00 C ATOM 431 CG PHE A 47 -3.319 8.787 -3.325 1.00 0.00 C ATOM 432 CD1 PHE A 47 -4.203 9.380 -2.438 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.319 9.563 -3.887 1.00 0.00 C ATOM 434 CE1 PHE A 47 -4.090 10.719 -2.116 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.200 10.903 -3.569 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.086 11.481 -2.681 1.00 0.00 C ATOM 0 H PHE A 47 -3.502 4.856 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.608 6.685 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.103 7.180 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.499 7.050 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.990 8.789 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.624 9.116 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.786 11.169 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.416 11.497 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.994 12.527 -2.429 1.00 0.00 H new ATOM 446 N HIS A 48 -4.400 6.304 -1.078 1.00 0.00 N ATOM 447 CA HIS A 48 -4.914 6.369 0.273 1.00 0.00 C ATOM 448 C HIS A 48 -4.237 5.274 1.070 1.00 0.00 C ATOM 449 O HIS A 48 -3.873 5.455 2.230 1.00 0.00 O ATOM 450 CB HIS A 48 -6.416 6.183 0.303 1.00 0.00 C ATOM 451 CG HIS A 48 -7.166 7.225 -0.468 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.221 7.249 -1.846 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.894 8.286 -0.046 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.949 8.280 -2.238 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.370 8.925 -1.165 1.00 0.00 N ATOM 0 H HIS A 48 -5.083 6.045 -1.790 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.705 7.350 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.660 5.200 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.754 6.196 1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.068 8.576 0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.163 8.549 -3.262 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.954 9.762 -1.167 1.00 0.00 H new ATOM 464 N MET A 49 -4.080 4.117 0.428 1.00 0.00 N ATOM 465 CA MET A 49 -3.385 3.009 1.043 1.00 0.00 C ATOM 466 C MET A 49 -2.064 3.531 1.582 1.00 0.00 C ATOM 467 O MET A 49 -1.629 3.182 2.677 1.00 0.00 O ATOM 468 CB MET A 49 -3.126 1.888 0.038 1.00 0.00 C ATOM 469 CG MET A 49 -3.084 0.506 0.674 1.00 0.00 C ATOM 470 SD MET A 49 -1.830 0.367 1.962 1.00 0.00 S ATOM 471 CE MET A 49 -0.358 0.826 1.055 1.00 0.00 C ATOM 0 H MET A 49 -4.426 3.932 -0.513 1.00 0.00 H new ATOM 0 HA MET A 49 -3.998 2.595 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.905 1.906 -0.724 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.180 2.076 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.061 0.277 1.099 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.889 -0.238 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.521 0.652 1.676 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.287 0.225 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.410 1.881 0.787 1.00 0.00 H new ATOM 481 N LYS A 50 -1.454 4.398 0.774 1.00 0.00 N ATOM 482 CA LYS A 50 -0.199 5.043 1.110 1.00 0.00 C ATOM 483 C LYS A 50 -0.449 6.075 2.196 1.00 0.00 C ATOM 484 O LYS A 50 0.387 6.288 3.074 1.00 0.00 O ATOM 485 CB LYS A 50 0.391 5.708 -0.142 1.00 0.00 C ATOM 486 CG LYS A 50 1.622 6.559 0.118 1.00 0.00 C ATOM 487 CD LYS A 50 1.267 7.979 0.544 1.00 0.00 C ATOM 488 CE LYS A 50 0.441 8.693 -0.514 1.00 0.00 C ATOM 489 NZ LYS A 50 0.234 10.129 -0.180 1.00 0.00 N ATOM 0 H LYS A 50 -1.825 4.670 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 50 0.514 4.305 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.647 4.932 -0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.376 6.331 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.227 6.090 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.233 6.595 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.711 7.950 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.181 8.542 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.940 8.613 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.526 8.200 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.390 10.564 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.204 10.207 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.151 10.620 -0.177 1.00 0.00 H new ATOM 503 N ARG A 51 -1.612 6.723 2.125 1.00 0.00 N ATOM 504 CA ARG A 51 -1.981 7.716 3.121 1.00 0.00 C ATOM 505 C ARG A 51 -1.879 7.097 4.515 1.00 0.00 C ATOM 506 O ARG A 51 -1.107 7.543 5.373 1.00 0.00 O ATOM 507 CB ARG A 51 -3.399 8.241 2.879 1.00 0.00 C ATOM 508 CG ARG A 51 -3.496 9.214 1.715 1.00 0.00 C ATOM 509 CD ARG A 51 -2.811 10.533 2.032 1.00 0.00 C ATOM 510 NE ARG A 51 -3.448 11.225 3.151 1.00 0.00 N ATOM 511 CZ ARG A 51 -3.243 12.506 3.444 1.00 0.00 C ATOM 512 NH1 ARG A 51 -2.420 13.240 2.706 1.00 0.00 N ATOM 513 NH2 ARG A 51 -3.863 13.056 4.480 1.00 0.00 N ATOM 0 H ARG A 51 -2.307 6.576 1.392 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.295 8.560 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.063 7.397 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.755 8.733 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.041 8.770 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.544 9.395 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.763 10.350 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.832 11.174 1.150 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.088 10.694 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.940 12.822 1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.267 14.222 2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.496 12.496 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.706 14.038 4.705 1.00 0.00 H new ATOM 527 N ARG A 52 -2.649 6.039 4.715 1.00 0.00 N ATOM 528 CA ARG A 52 -2.653 5.324 5.978 1.00 0.00 C ATOM 529 C ARG A 52 -1.349 4.552 6.136 1.00 0.00 C ATOM 530 O ARG A 52 -0.948 4.220 7.249 1.00 0.00 O ATOM 531 CB ARG A 52 -3.845 4.370 6.053 1.00 0.00 C ATOM 532 CG ARG A 52 -5.184 5.046 5.807 1.00 0.00 C ATOM 533 CD ARG A 52 -5.507 6.058 6.894 1.00 0.00 C ATOM 534 NE ARG A 52 -5.666 5.426 8.202 1.00 0.00 N ATOM 535 CZ ARG A 52 -6.298 5.993 9.228 1.00 0.00 C ATOM 536 NH1 ARG A 52 -6.827 7.205 9.103 1.00 0.00 N ATOM 537 NH2 ARG A 52 -6.401 5.348 10.382 1.00 0.00 N ATOM 0 H ARG A 52 -3.282 5.656 4.013 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.742 6.046 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.709 3.575 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.861 3.899 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.168 5.545 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.971 4.293 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.711 6.801 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.423 6.589 6.634 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.270 4.496 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.750 7.706 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.310 7.635 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.996 4.417 10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.885 5.783 11.168 1.00 0.00 H new ATOM 551 N LEU A 53 -0.692 4.260 5.009 1.00 0.00 N ATOM 552 CA LEU A 53 0.583 3.553 5.035 1.00 0.00 C ATOM 553 C LEU A 53 1.547 4.300 5.942 1.00 0.00 C ATOM 554 O LEU A 53 2.134 3.722 6.856 1.00 0.00 O ATOM 555 CB LEU A 53 1.161 3.428 3.623 1.00 0.00 C ATOM 556 CG LEU A 53 2.368 2.502 3.490 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.066 1.143 4.105 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.770 2.357 2.031 1.00 0.00 C ATOM 0 H LEU A 53 -1.023 4.502 4.075 1.00 0.00 H new ATOM 0 HA LEU A 53 0.428 2.546 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.375 3.071 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.446 4.421 3.276 1.00 0.00 H new ATOM 0 HG LEU A 53 3.205 2.943 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.937 0.495 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.829 1.266 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.216 0.693 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.632 1.694 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.938 1.938 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.028 3.335 1.626 1.00 0.00 H new ATOM 570 N HIS A 54 1.698 5.594 5.685 1.00 0.00 N ATOM 571 CA HIS A 54 2.554 6.432 6.497 1.00 0.00 C ATOM 572 C HIS A 54 2.000 6.498 7.914 1.00 0.00 C ATOM 573 O HIS A 54 2.739 6.402 8.892 1.00 0.00 O ATOM 574 CB HIS A 54 2.646 7.835 5.884 1.00 0.00 C ATOM 575 CG HIS A 54 1.693 8.841 6.463 1.00 0.00 C ATOM 576 ND1 HIS A 54 1.767 9.287 7.766 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.646 9.493 5.904 1.00 0.00 C ATOM 578 CE1 HIS A 54 0.806 10.169 7.984 1.00 0.00 C ATOM 579 NE2 HIS A 54 0.113 10.312 6.871 1.00 0.00 N ATOM 0 H HIS A 54 1.235 6.081 4.918 1.00 0.00 H new ATOM 0 HA HIS A 54 3.557 6.007 6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.663 8.205 6.011 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.465 7.760 4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.295 9.389 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.620 10.684 8.915 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.689 10.930 6.748 1.00 0.00 H new ATOM 588 N ALA A 55 0.681 6.665 8.007 1.00 0.00 N ATOM 589 CA ALA A 55 0.011 6.739 9.299 1.00 0.00 C ATOM 590 C ALA A 55 0.313 5.516 10.168 1.00 0.00 C ATOM 591 O ALA A 55 0.500 5.640 11.378 1.00 0.00 O ATOM 592 CB ALA A 55 -1.490 6.888 9.104 1.00 0.00 C ATOM 0 H ALA A 55 0.059 6.751 7.203 1.00 0.00 H new ATOM 0 HA ALA A 55 0.396 7.616 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.980 6.942 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.695 7.800 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.872 6.029 8.553 1.00 0.00 H new ATOM 598 N ALA A 56 0.359 4.336 9.550 1.00 0.00 N ATOM 599 CA ALA A 56 0.625 3.102 10.282 1.00 0.00 C ATOM 600 C ALA A 56 2.099 2.953 10.660 1.00 0.00 C ATOM 601 O ALA A 56 2.429 2.781 11.833 1.00 0.00 O ATOM 602 CB ALA A 56 0.174 1.902 9.462 1.00 0.00 C ATOM 0 H ALA A 56 0.216 4.211 8.548 1.00 0.00 H new ATOM 0 HA ALA A 56 0.057 3.149 11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.377 0.986 10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.895 1.978 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.717 1.882 8.517 1.00 0.00 H new ATOM 608 N GLU A 57 2.982 3.021 9.668 1.00 0.00 N ATOM 609 CA GLU A 57 4.418 2.862 9.913 1.00 0.00 C ATOM 610 C GLU A 57 5.113 4.190 10.211 1.00 0.00 C ATOM 611 O GLU A 57 5.764 4.336 11.246 1.00 0.00 O ATOM 612 CB GLU A 57 5.104 2.167 8.728 1.00 0.00 C ATOM 613 CG GLU A 57 4.460 2.445 7.378 1.00 0.00 C ATOM 614 CD GLU A 57 5.237 1.844 6.225 1.00 0.00 C ATOM 615 OE1 GLU A 57 6.275 2.423 5.843 1.00 0.00 O ATOM 616 OE2 GLU A 57 4.805 0.796 5.700 1.00 0.00 O ATOM 0 H GLU A 57 2.734 3.184 8.692 1.00 0.00 H new ATOM 0 HA GLU A 57 4.512 2.236 10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.147 2.483 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.103 1.091 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.446 2.046 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.379 3.522 7.234 1.00 0.00 H new ATOM 623 N GLY A 58 4.976 5.156 9.309 1.00 0.00 N ATOM 624 CA GLY A 58 5.620 6.445 9.504 1.00 0.00 C ATOM 625 C GLY A 58 6.252 6.987 8.233 1.00 0.00 C ATOM 626 O GLY A 58 6.765 8.106 8.219 1.00 0.00 O ATOM 0 H GLY A 58 4.433 5.072 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.885 7.161 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.386 6.350 10.273 1.00 0.00 H new ATOM 630 N VAL A 59 6.216 6.196 7.162 1.00 0.00 N ATOM 631 CA VAL A 59 6.775 6.601 5.883 1.00 0.00 C ATOM 632 C VAL A 59 5.721 7.336 5.059 1.00 0.00 C ATOM 633 O VAL A 59 4.883 6.708 4.427 1.00 0.00 O ATOM 634 CB VAL A 59 7.256 5.364 5.099 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.822 5.756 3.745 1.00 0.00 C ATOM 636 CG2 VAL A 59 8.281 4.587 5.910 1.00 0.00 C ATOM 0 H VAL A 59 5.801 5.264 7.160 1.00 0.00 H new ATOM 0 HA VAL A 59 7.619 7.265 6.069 1.00 0.00 H new ATOM 0 HB VAL A 59 6.395 4.720 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.153 4.862 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.052 6.259 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.668 6.428 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.610 3.717 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.137 5.227 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.831 4.260 6.847 1.00 0.00 H new ATOM 682 N SER A 63 9.346 8.032 0.387 1.00 0.00 N ATOM 683 CA SER A 63 9.859 6.757 0.872 1.00 0.00 C ATOM 684 C SER A 63 8.842 5.626 0.705 1.00 0.00 C ATOM 685 O SER A 63 9.138 4.475 1.018 1.00 0.00 O ATOM 686 CB SER A 63 10.270 6.889 2.339 1.00 0.00 C ATOM 687 OG SER A 63 11.398 7.736 2.478 1.00 0.00 O ATOM 0 HA SER A 63 10.730 6.498 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.438 7.288 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.498 5.904 2.746 1.00 0.00 H new ATOM 0 HG SER A 63 11.373 8.430 1.786 1.00 0.00 H new ATOM 693 N GLN A 64 7.644 5.943 0.222 1.00 0.00 N ATOM 694 CA GLN A 64 6.621 4.923 0.014 1.00 0.00 C ATOM 695 C GLN A 64 6.582 4.490 -1.449 1.00 0.00 C ATOM 696 O GLN A 64 5.626 4.783 -2.167 1.00 0.00 O ATOM 697 CB GLN A 64 5.246 5.449 0.436 1.00 0.00 C ATOM 698 CG GLN A 64 5.198 5.953 1.868 1.00 0.00 C ATOM 699 CD GLN A 64 4.026 6.877 2.120 1.00 0.00 C ATOM 700 OE1 GLN A 64 4.057 8.049 1.751 1.00 0.00 O ATOM 701 NE2 GLN A 64 2.997 6.361 2.782 1.00 0.00 N ATOM 0 H GLN A 64 7.359 6.889 -0.031 1.00 0.00 H new ATOM 0 HA GLN A 64 6.874 4.060 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.955 6.258 -0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.510 4.654 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.138 5.102 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.126 6.478 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.014 5.382 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.189 6.943 3.004 1.00 0.00 H new ATOM 710 N ARG A 65 7.625 3.790 -1.888 1.00 0.00 N ATOM 711 CA ARG A 65 7.694 3.314 -3.267 1.00 0.00 C ATOM 712 C ARG A 65 6.874 2.039 -3.432 1.00 0.00 C ATOM 713 O ARG A 65 7.350 0.947 -3.131 1.00 0.00 O ATOM 714 CB ARG A 65 9.145 3.059 -3.670 1.00 0.00 C ATOM 715 CG ARG A 65 9.982 4.323 -3.767 1.00 0.00 C ATOM 716 CD ARG A 65 9.450 5.260 -4.839 1.00 0.00 C ATOM 717 NE ARG A 65 10.278 6.455 -4.985 1.00 0.00 N ATOM 718 CZ ARG A 65 10.091 7.377 -5.926 1.00 0.00 C ATOM 719 NH1 ARG A 65 9.105 7.246 -6.806 1.00 0.00 N ATOM 720 NH2 ARG A 65 10.890 8.433 -5.988 1.00 0.00 N ATOM 0 H ARG A 65 8.430 3.541 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 65 7.279 4.084 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.602 2.386 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.161 2.548 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.985 4.834 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.016 4.060 -3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.405 4.732 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.431 5.554 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 65 11.045 6.591 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.487 6.436 -6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.966 7.956 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.648 8.539 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.746 9.140 -6.709 1.00 0.00 H new ATOM 734 N TRP A 66 5.647 2.192 -3.924 1.00 0.00 N ATOM 735 CA TRP A 66 4.741 1.057 -4.117 1.00 0.00 C ATOM 736 C TRP A 66 5.154 0.219 -5.324 1.00 0.00 C ATOM 737 O TRP A 66 5.388 0.748 -6.410 1.00 0.00 O ATOM 738 CB TRP A 66 3.301 1.545 -4.307 1.00 0.00 C ATOM 739 CG TRP A 66 3.010 2.830 -3.598 1.00 0.00 C ATOM 740 CD1 TRP A 66 2.941 3.024 -2.251 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.760 4.103 -4.203 1.00 0.00 C ATOM 742 NE1 TRP A 66 2.664 4.340 -1.979 1.00 0.00 N ATOM 743 CE2 TRP A 66 2.545 5.024 -3.162 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.695 4.552 -5.526 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.271 6.369 -3.404 1.00 0.00 C ATOM 746 CZ3 TRP A 66 2.423 5.885 -5.764 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.214 6.780 -4.707 1.00 0.00 C ATOM 0 H TRP A 66 5.254 3.093 -4.198 1.00 0.00 H new ATOM 0 HA TRP A 66 4.799 0.436 -3.223 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.107 1.674 -5.372 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.615 0.778 -3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 66 3.083 2.255 -1.507 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.563 4.744 -1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.855 3.869 -6.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.109 7.062 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.371 6.243 -6.782 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.003 7.816 -4.926 1.00 0.00 H new ATOM 758 N PHE A 67 5.210 -1.094 -5.129 1.00 0.00 N ATOM 759 CA PHE A 67 5.599 -2.014 -6.191 1.00 0.00 C ATOM 760 C PHE A 67 5.056 -3.418 -5.937 1.00 0.00 C ATOM 761 O PHE A 67 5.339 -4.024 -4.906 1.00 0.00 O ATOM 762 CB PHE A 67 7.123 -2.071 -6.313 1.00 0.00 C ATOM 763 CG PHE A 67 7.715 -0.906 -7.055 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.067 0.256 -6.387 1.00 0.00 C ATOM 765 CD2 PHE A 67 7.921 -0.976 -8.424 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.614 1.326 -7.071 1.00 0.00 C ATOM 767 CE2 PHE A 67 8.465 0.090 -9.112 1.00 0.00 C ATOM 768 CZ PHE A 67 8.812 1.243 -8.436 1.00 0.00 C ATOM 0 H PHE A 67 4.990 -1.546 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 67 5.172 -1.642 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.557 -2.112 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.403 -2.994 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.912 0.327 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.653 -1.875 -8.959 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.886 2.226 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.619 0.022 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.237 2.078 -8.973 1.00 0.00 H new ATOM 778 N PHE A 68 4.277 -3.931 -6.884 1.00 0.00 N ATOM 779 CA PHE A 68 3.706 -5.269 -6.766 1.00 0.00 C ATOM 780 C PHE A 68 4.358 -6.225 -7.760 1.00 0.00 C ATOM 781 O PHE A 68 4.207 -6.073 -8.972 1.00 0.00 O ATOM 782 CB PHE A 68 2.198 -5.231 -7.009 1.00 0.00 C ATOM 783 CG PHE A 68 1.527 -6.563 -6.835 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.655 -7.549 -7.801 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.768 -6.830 -5.707 1.00 0.00 C ATOM 786 CE1 PHE A 68 1.040 -8.776 -7.644 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.150 -8.055 -5.546 1.00 0.00 C ATOM 788 CZ PHE A 68 0.285 -9.029 -6.516 1.00 0.00 C ATOM 0 H PHE A 68 4.026 -3.440 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 68 3.897 -5.626 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.746 -4.514 -6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.010 -4.868 -8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.242 -7.356 -8.687 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.658 -6.072 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.150 -9.537 -8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.439 -8.251 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.199 -9.987 -6.392 1.00 0.00 H new ATOM 798 N SER A 69 5.084 -7.209 -7.239 1.00 0.00 N ATOM 799 CA SER A 69 5.761 -8.192 -8.080 1.00 0.00 C ATOM 800 C SER A 69 6.833 -7.539 -8.952 1.00 0.00 C ATOM 801 O SER A 69 7.342 -8.156 -9.887 1.00 0.00 O ATOM 802 CB SER A 69 4.747 -8.924 -8.964 1.00 0.00 C ATOM 803 OG SER A 69 3.773 -9.590 -8.179 1.00 0.00 O ATOM 0 H SER A 69 5.219 -7.348 -6.238 1.00 0.00 H new ATOM 0 HA SER A 69 6.250 -8.909 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.258 -8.212 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.265 -9.646 -9.596 1.00 0.00 H new ATOM 0 HG SER A 69 2.890 -9.204 -8.357 1.00 0.00 H new ATOM 809 N GLY A 70 7.176 -6.290 -8.642 1.00 0.00 N ATOM 810 CA GLY A 70 8.192 -5.589 -9.409 1.00 0.00 C ATOM 811 C GLY A 70 7.619 -4.500 -10.297 1.00 0.00 C ATOM 812 O GLY A 70 8.329 -3.940 -11.133 1.00 0.00 O ATOM 0 H GLY A 70 6.770 -5.753 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.916 -5.148 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.733 -6.306 -10.026 1.00 0.00 H new ATOM 816 N ARG A 71 6.338 -4.195 -10.118 1.00 0.00 N ATOM 817 CA ARG A 71 5.682 -3.160 -10.909 1.00 0.00 C ATOM 818 C ARG A 71 5.213 -2.022 -10.006 1.00 0.00 C ATOM 819 O ARG A 71 4.582 -2.266 -8.980 1.00 0.00 O ATOM 820 CB ARG A 71 4.491 -3.746 -11.669 1.00 0.00 C ATOM 821 CG ARG A 71 4.867 -4.877 -12.612 1.00 0.00 C ATOM 822 CD ARG A 71 3.644 -5.449 -13.309 1.00 0.00 C ATOM 823 NE ARG A 71 3.990 -6.534 -14.223 1.00 0.00 N ATOM 824 CZ ARG A 71 3.110 -7.148 -15.013 1.00 0.00 C ATOM 825 NH1 ARG A 71 1.834 -6.785 -15.004 1.00 0.00 N ATOM 826 NH2 ARG A 71 3.509 -8.126 -15.814 1.00 0.00 N ATOM 0 H ARG A 71 5.734 -4.649 -9.433 1.00 0.00 H new ATOM 0 HA ARG A 71 6.401 -2.768 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.757 -4.112 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.010 -2.953 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.574 -4.512 -13.357 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.371 -5.666 -12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.940 -5.815 -12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.139 -4.657 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 71 4.962 -6.840 -14.259 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.522 -6.032 -14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.165 -7.259 -15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.489 -8.408 -15.825 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.836 -8.596 -16.419 1.00 0.00 H new ATOM 840 N PRO A 72 5.496 -0.761 -10.382 1.00 0.00 N ATOM 841 CA PRO A 72 5.100 0.402 -9.580 1.00 0.00 C ATOM 842 C PRO A 72 3.592 0.611 -9.586 1.00 0.00 C ATOM 843 O PRO A 72 2.990 0.832 -10.637 1.00 0.00 O ATOM 844 CB PRO A 72 5.805 1.570 -10.274 1.00 0.00 C ATOM 845 CG PRO A 72 5.995 1.117 -11.680 1.00 0.00 C ATOM 846 CD PRO A 72 6.213 -0.369 -11.609 1.00 0.00 C ATOM 0 HA PRO A 72 5.372 0.289 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.204 2.478 -10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.760 1.795 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.122 1.355 -12.288 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.849 1.615 -12.139 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.814 -0.876 -12.487 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.273 -0.617 -11.552 1.00 0.00 H new ATOM 854 N LEU A 73 2.983 0.542 -8.405 1.00 0.00 N ATOM 855 CA LEU A 73 1.537 0.709 -8.290 1.00 0.00 C ATOM 856 C LEU A 73 1.124 2.175 -8.382 1.00 0.00 C ATOM 857 O LEU A 73 1.945 3.079 -8.231 1.00 0.00 O ATOM 858 CB LEU A 73 1.029 0.104 -6.982 1.00 0.00 C ATOM 859 CG LEU A 73 0.677 -1.381 -7.060 1.00 0.00 C ATOM 860 CD1 LEU A 73 1.923 -2.221 -7.290 1.00 0.00 C ATOM 861 CD2 LEU A 73 -0.056 -1.826 -5.805 1.00 0.00 C ATOM 0 H LEU A 73 3.463 0.373 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 73 1.084 0.182 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.789 0.243 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.146 0.656 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 73 0.011 -1.529 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.647 -3.274 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.395 -1.923 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.621 -2.069 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.297 -2.886 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.579 -1.660 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.976 -1.251 -5.698 1.00 0.00 H new ATOM 872 N THR A 74 -0.165 2.394 -8.635 1.00 0.00 N ATOM 873 CA THR A 74 -0.711 3.740 -8.755 1.00 0.00 C ATOM 874 C THR A 74 -1.877 3.954 -7.789 1.00 0.00 C ATOM 875 O THR A 74 -2.164 3.110 -6.947 1.00 0.00 O ATOM 876 CB THR A 74 -1.185 4.019 -10.196 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.663 5.365 -10.307 1.00 0.00 O ATOM 878 CG2 THR A 74 -2.284 3.051 -10.606 1.00 0.00 C ATOM 0 H THR A 74 -0.852 1.651 -8.761 1.00 0.00 H new ATOM 0 HA THR A 74 0.090 4.434 -8.501 1.00 0.00 H new ATOM 0 HB THR A 74 -0.334 3.880 -10.863 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.960 5.532 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.600 3.270 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.907 2.030 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.134 3.159 -9.932 1.00 0.00 H new ATOM 886 N ASP A 75 -2.546 5.091 -7.933 1.00 0.00 N ATOM 887 CA ASP A 75 -3.676 5.455 -7.082 1.00 0.00 C ATOM 888 C ASP A 75 -4.990 4.913 -7.639 1.00 0.00 C ATOM 889 O ASP A 75 -6.031 5.564 -7.544 1.00 0.00 O ATOM 890 CB ASP A 75 -3.762 6.977 -6.957 1.00 0.00 C ATOM 891 CG ASP A 75 -4.047 7.654 -8.284 1.00 0.00 C ATOM 892 OD1 ASP A 75 -5.238 7.840 -8.611 1.00 0.00 O ATOM 893 OD2 ASP A 75 -3.080 7.999 -8.994 1.00 0.00 O ATOM 0 H ASP A 75 -2.322 5.788 -8.643 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.513 5.012 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.546 7.236 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.825 7.359 -6.552 1.00 0.00 H new ATOM 898 N LYS A 76 -4.935 3.722 -8.215 1.00 0.00 N ATOM 899 CA LYS A 76 -6.114 3.087 -8.786 1.00 0.00 C ATOM 900 C LYS A 76 -5.951 1.575 -8.781 1.00 0.00 C ATOM 901 O LYS A 76 -6.540 0.871 -9.600 1.00 0.00 O ATOM 902 CB LYS A 76 -6.340 3.585 -10.215 1.00 0.00 C ATOM 903 CG LYS A 76 -6.722 5.057 -10.300 1.00 0.00 C ATOM 904 CD LYS A 76 -8.080 5.327 -9.670 1.00 0.00 C ATOM 905 CE LYS A 76 -9.211 5.148 -10.671 1.00 0.00 C ATOM 906 NZ LYS A 76 -9.222 3.784 -11.268 1.00 0.00 N ATOM 0 H LYS A 76 -4.080 3.172 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.981 3.349 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.432 3.421 -10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.126 2.988 -10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.963 5.659 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.738 5.368 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.230 4.653 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.102 6.342 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.164 5.334 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.113 5.889 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.134 3.619 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.453 3.703 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.086 3.076 -10.519 1.00 0.00 H new ATOM 920 N MET A 77 -5.142 1.085 -7.848 1.00 0.00 N ATOM 921 CA MET A 77 -4.881 -0.344 -7.740 1.00 0.00 C ATOM 922 C MET A 77 -5.957 -1.085 -6.944 1.00 0.00 C ATOM 923 O MET A 77 -6.429 -2.142 -7.364 1.00 0.00 O ATOM 924 CB MET A 77 -3.520 -0.581 -7.087 1.00 0.00 C ATOM 925 CG MET A 77 -2.364 0.057 -7.836 1.00 0.00 C ATOM 926 SD MET A 77 -2.289 -0.450 -9.564 1.00 0.00 S ATOM 927 CE MET A 77 -2.090 -2.222 -9.390 1.00 0.00 C ATOM 0 H MET A 77 -4.656 1.656 -7.157 1.00 0.00 H new ATOM 0 HA MET A 77 -4.890 -0.741 -8.755 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.542 -0.190 -6.070 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.345 -1.654 -7.012 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.457 1.142 -7.784 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.428 -0.206 -7.344 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.276 -2.561 -10.031 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.859 -2.462 -8.352 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.014 -2.722 -9.681 1.00 0.00 H new ATOM 937 N LYS A 78 -6.398 -0.507 -5.833 1.00 0.00 N ATOM 938 CA LYS A 78 -7.371 -1.185 -4.985 1.00 0.00 C ATOM 939 C LYS A 78 -8.643 -1.540 -5.737 1.00 0.00 C ATOM 940 O LYS A 78 -9.021 -2.710 -5.817 1.00 0.00 O ATOM 941 CB LYS A 78 -7.720 -0.340 -3.767 1.00 0.00 C ATOM 942 CG LYS A 78 -6.779 -0.575 -2.594 1.00 0.00 C ATOM 943 CD LYS A 78 -5.327 -0.688 -3.046 1.00 0.00 C ATOM 944 CE LYS A 78 -4.398 -0.981 -1.884 1.00 0.00 C ATOM 945 NZ LYS A 78 -2.969 -0.896 -2.288 1.00 0.00 N ATOM 0 H LYS A 78 -6.104 0.412 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.901 -2.113 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.693 0.714 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.741 -0.562 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.875 0.244 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.069 -1.487 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.238 -1.479 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.023 0.241 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.591 -0.274 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.607 -1.977 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.381 -1.400 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.847 -1.330 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.678 0.102 -2.328 1.00 0.00 H new ATOM 959 N PHE A 79 -9.294 -0.534 -6.292 1.00 0.00 N ATOM 960 CA PHE A 79 -10.531 -0.750 -7.019 1.00 0.00 C ATOM 961 C PHE A 79 -10.324 -1.557 -8.303 1.00 0.00 C ATOM 962 O PHE A 79 -11.282 -2.119 -8.832 1.00 0.00 O ATOM 963 CB PHE A 79 -11.183 0.591 -7.363 1.00 0.00 C ATOM 964 CG PHE A 79 -12.477 0.457 -8.116 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.515 -0.309 -7.609 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.654 1.095 -9.334 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.704 -0.435 -8.300 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.840 0.972 -10.030 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.868 0.206 -9.513 1.00 0.00 C ATOM 0 H PHE A 79 -8.988 0.438 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.184 -1.329 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.365 1.144 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.486 1.182 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.392 -0.813 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.855 1.695 -9.743 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.505 -1.034 -7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.965 1.474 -10.978 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.797 0.109 -10.056 1.00 0.00 H new ATOM 979 N GLU A 80 -9.093 -1.616 -8.818 1.00 0.00 N ATOM 980 CA GLU A 80 -8.850 -2.352 -10.060 1.00 0.00 C ATOM 981 C GLU A 80 -8.461 -3.801 -9.793 1.00 0.00 C ATOM 982 O GLU A 80 -8.535 -4.647 -10.685 1.00 0.00 O ATOM 983 CB GLU A 80 -7.790 -1.656 -10.924 1.00 0.00 C ATOM 984 CG GLU A 80 -6.376 -1.748 -10.377 1.00 0.00 C ATOM 985 CD GLU A 80 -5.736 -3.103 -10.615 1.00 0.00 C ATOM 986 OE1 GLU A 80 -5.248 -3.340 -11.739 1.00 0.00 O ATOM 987 OE2 GLU A 80 -5.723 -3.927 -9.676 1.00 0.00 O ATOM 0 H GLU A 80 -8.270 -1.176 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.789 -2.359 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.809 -2.092 -11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.058 -0.605 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.762 -0.976 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.392 -1.543 -9.307 1.00 0.00 H new ATOM 994 N GLU A 81 -8.049 -4.085 -8.566 1.00 0.00 N ATOM 995 CA GLU A 81 -7.646 -5.425 -8.193 1.00 0.00 C ATOM 996 C GLU A 81 -8.846 -6.165 -7.637 1.00 0.00 C ATOM 997 O GLU A 81 -9.333 -7.129 -8.226 1.00 0.00 O ATOM 998 CB GLU A 81 -6.522 -5.369 -7.161 1.00 0.00 C ATOM 999 CG GLU A 81 -5.531 -6.518 -7.270 1.00 0.00 C ATOM 1000 CD GLU A 81 -6.184 -7.875 -7.104 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -6.986 -8.260 -7.981 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -5.891 -8.554 -6.098 1.00 0.00 O ATOM 0 H GLU A 81 -7.986 -3.400 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.273 -5.954 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.985 -4.427 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.958 -5.371 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.036 -6.474 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.757 -6.397 -6.512 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.317 -5.683 -6.490 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.474 -6.246 -5.812 1.00 0.00 C ATOM 1011 C LEU A 82 -10.159 -7.597 -5.178 1.00 0.00 C ATOM 1012 O LEU A 82 -10.900 -8.068 -4.315 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.654 -6.386 -6.777 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.107 -5.106 -7.485 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.107 -3.925 -6.526 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.227 -4.824 -8.688 1.00 0.00 C ATOM 0 H LEU A 82 -8.903 -4.887 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.745 -5.555 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.389 -7.122 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.502 -6.790 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.129 -5.253 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.432 -3.028 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.788 -4.127 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.100 -3.772 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.564 -3.911 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.194 -4.701 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.290 -5.657 -9.388 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.061 -8.218 -5.599 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.676 -9.517 -5.071 1.00 0.00 C ATOM 1030 C LYS A 83 -7.523 -9.380 -4.085 1.00 0.00 C ATOM 1031 O LYS A 83 -6.676 -10.264 -3.981 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.267 -10.455 -6.210 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.041 -10.249 -7.503 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.419 -10.883 -7.438 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.405 -9.986 -6.719 1.00 0.00 C ATOM 1036 NZ LYS A 83 -12.728 -10.644 -6.539 1.00 0.00 N ATOM 0 H LYS A 83 -8.426 -7.842 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.536 -9.937 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.204 -10.320 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.401 -11.486 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.140 -9.182 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.482 -10.678 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.777 -11.084 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.356 -11.843 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.001 -9.711 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.533 -9.062 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.373 -9.996 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.126 -10.884 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.611 -11.512 -5.979 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.492 -8.262 -3.374 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.441 -8.004 -2.400 1.00 0.00 C ATOM 1052 C ILE A 84 -6.755 -8.566 -1.007 1.00 0.00 C ATOM 1053 O ILE A 84 -5.834 -8.821 -0.231 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.150 -6.496 -2.277 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.418 -5.724 -1.911 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.559 -5.963 -3.574 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -7.182 -4.241 -1.724 1.00 0.00 C ATOM 0 H ILE A 84 -8.184 -7.517 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.561 -8.523 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.423 -6.353 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.163 -5.871 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.835 -6.137 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.359 -4.896 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.629 -6.487 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.265 -6.123 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.122 -3.753 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.460 -4.086 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.794 -3.815 -2.649 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.043 -8.769 -0.654 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.420 -9.298 0.664 1.00 0.00 C ATOM 1071 C PRO A 85 -7.573 -10.496 1.095 1.00 0.00 C ATOM 1072 O PRO A 85 -7.909 -11.644 0.809 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.876 -9.713 0.465 1.00 0.00 C ATOM 1074 CG PRO A 85 -10.387 -8.763 -0.561 1.00 0.00 C ATOM 1075 CD PRO A 85 -9.232 -8.505 -1.492 1.00 0.00 C ATOM 0 HA PRO A 85 -8.269 -8.562 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.953 -10.746 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.442 -9.639 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.235 -9.187 -1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.732 -7.838 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.263 -9.162 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.240 -7.481 -1.866 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.471 -10.212 1.789 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.572 -11.257 2.276 1.00 0.00 C ATOM 1085 C LYS A 86 -5.033 -12.121 1.138 1.00 0.00 C ATOM 1086 O LYS A 86 -4.539 -13.224 1.372 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.295 -12.140 3.295 1.00 0.00 C ATOM 1088 CG LYS A 86 -6.558 -11.447 4.622 1.00 0.00 C ATOM 1089 CD LYS A 86 -5.273 -11.231 5.406 1.00 0.00 C ATOM 1090 CE LYS A 86 -4.949 -12.424 6.295 1.00 0.00 C ATOM 1091 NZ LYS A 86 -4.829 -13.687 5.518 1.00 0.00 N ATOM 0 H LYS A 86 -6.179 -9.264 2.027 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.725 -10.763 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.244 -12.467 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.700 -13.036 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.041 -10.486 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.250 -12.045 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.449 -11.058 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.367 -10.335 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.016 -12.236 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.728 -12.536 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.445 -14.435 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.767 -13.971 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.191 -13.538 4.710 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.125 -11.624 -0.091 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.644 -12.371 -1.248 1.00 0.00 C ATOM 1107 C ASP A 87 -3.456 -11.677 -1.911 1.00 0.00 C ATOM 1108 O ASP A 87 -2.511 -12.334 -2.349 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.773 -12.562 -2.260 1.00 0.00 C ATOM 1110 CG ASP A 87 -6.813 -13.557 -1.784 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -6.623 -14.770 -2.013 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -7.818 -13.123 -1.182 1.00 0.00 O ATOM 0 H ASP A 87 -5.526 -10.712 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.307 -13.346 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.253 -11.602 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.355 -12.903 -3.207 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.505 -10.349 -1.985 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.429 -9.583 -2.608 1.00 0.00 C ATOM 1119 C TYR A 88 -1.640 -8.774 -1.581 1.00 0.00 C ATOM 1120 O TYR A 88 -2.143 -8.447 -0.504 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.992 -8.651 -3.685 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.349 -9.360 -4.972 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.152 -10.494 -4.966 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.881 -8.896 -6.196 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.478 -11.144 -6.141 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.203 -9.541 -7.374 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.002 -10.664 -7.342 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.325 -11.309 -8.514 1.00 0.00 O ATOM 0 H TYR A 88 -4.273 -9.784 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.746 -10.297 -3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.880 -8.154 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.259 -7.873 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.528 -10.874 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.255 -8.016 -6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.103 -12.024 -6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.830 -9.167 -8.316 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.910 -10.842 -9.269 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.397 -8.459 -1.932 1.00 0.00 N ATOM 1139 CA VAL A 89 0.483 -7.687 -1.064 1.00 0.00 C ATOM 1140 C VAL A 89 1.377 -6.764 -1.886 1.00 0.00 C ATOM 1141 O VAL A 89 2.133 -7.221 -2.742 1.00 0.00 O ATOM 1142 CB VAL A 89 1.369 -8.611 -0.202 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.221 -9.513 -1.081 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.244 -7.794 0.741 1.00 0.00 C ATOM 0 H VAL A 89 0.026 -8.730 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.151 -7.091 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 89 0.716 -9.242 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.838 -10.156 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.574 -10.129 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.863 -8.902 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.860 -8.465 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.887 -7.133 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.612 -7.199 1.400 1.00 0.00 H new ATOM 1154 N VAL A 90 1.287 -5.463 -1.626 1.00 0.00 N ATOM 1155 CA VAL A 90 2.100 -4.494 -2.344 1.00 0.00 C ATOM 1156 C VAL A 90 3.443 -4.317 -1.668 1.00 0.00 C ATOM 1157 O VAL A 90 3.533 -4.241 -0.441 1.00 0.00 O ATOM 1158 CB VAL A 90 1.422 -3.113 -2.444 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.169 -2.232 -3.434 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.041 -3.256 -2.834 1.00 0.00 C ATOM 0 H VAL A 90 0.663 -5.060 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 90 2.228 -4.892 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 90 1.458 -2.636 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.681 -1.259 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.198 -2.101 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.164 -2.704 -4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.499 -2.269 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.113 -3.753 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.562 -3.849 -2.082 1.00 0.00 H new ATOM 1170 N GLN A 91 4.488 -4.251 -2.474 1.00 0.00 N ATOM 1171 CA GLN A 91 5.822 -4.064 -1.951 1.00 0.00 C ATOM 1172 C GLN A 91 6.114 -2.580 -1.859 1.00 0.00 C ATOM 1173 O GLN A 91 5.555 -1.784 -2.612 1.00 0.00 O ATOM 1174 CB GLN A 91 6.863 -4.765 -2.821 1.00 0.00 C ATOM 1175 CG GLN A 91 7.924 -5.488 -2.012 1.00 0.00 C ATOM 1176 CD GLN A 91 9.220 -5.672 -2.778 1.00 0.00 C ATOM 1177 OE1 GLN A 91 10.108 -4.821 -2.731 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.333 -6.787 -3.490 1.00 0.00 N ATOM 0 H GLN A 91 4.435 -4.324 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 91 5.878 -4.510 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.361 -5.480 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.344 -4.029 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.123 -4.928 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.543 -6.464 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.571 -7.465 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.182 -6.965 -4.027 1.00 0.00 H new ATOM 1187 N VAL A 92 6.982 -2.206 -0.943 1.00 0.00 N ATOM 1188 CA VAL A 92 7.308 -0.805 -0.752 1.00 0.00 C ATOM 1189 C VAL A 92 8.802 -0.598 -0.562 1.00 0.00 C ATOM 1190 O VAL A 92 9.506 -1.487 -0.084 1.00 0.00 O ATOM 1191 CB VAL A 92 6.585 -0.260 0.482 1.00 0.00 C ATOM 1192 CG1 VAL A 92 5.097 -0.103 0.244 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.808 -1.188 1.635 1.00 0.00 C ATOM 0 H VAL A 92 7.474 -2.847 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 92 6.988 -0.274 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 92 6.993 0.727 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.623 0.286 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.932 0.590 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.664 -1.072 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.295 -0.803 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.416 -2.175 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.876 -1.262 1.841 1.00 0.00 H new ATOM 1203 N ILE A 93 9.281 0.581 -0.938 1.00 0.00 N ATOM 1204 CA ILE A 93 10.691 0.906 -0.782 1.00 0.00 C ATOM 1205 C ILE A 93 10.871 2.227 -0.045 1.00 0.00 C ATOM 1206 O ILE A 93 10.475 3.288 -0.535 1.00 0.00 O ATOM 1207 CB ILE A 93 11.432 0.987 -2.126 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.770 0.085 -3.170 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.894 0.604 -1.942 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.464 0.112 -4.512 1.00 0.00 C ATOM 0 H ILE A 93 8.717 1.324 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 93 11.122 0.091 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 93 11.380 2.014 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.755 -0.939 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.732 0.392 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.409 0.665 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.363 1.287 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.958 -0.415 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.943 -0.549 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.456 1.129 -4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.494 -0.224 -4.396 1.00 0.00 H new ATOM 1222 N VAL A 94 11.469 2.138 1.133 1.00 0.00 N ATOM 1223 CA VAL A 94 11.743 3.301 1.979 1.00 0.00 C ATOM 1224 C VAL A 94 13.194 3.260 2.455 1.00 0.00 C ATOM 1225 O VAL A 94 13.510 2.619 3.458 1.00 0.00 O ATOM 1226 CB VAL A 94 10.793 3.368 3.208 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.501 1.973 3.739 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.384 4.239 4.313 1.00 0.00 C ATOM 0 H VAL A 94 11.782 1.255 1.536 1.00 0.00 H new ATOM 0 HA VAL A 94 11.569 4.193 1.378 1.00 0.00 H new ATOM 0 HB VAL A 94 9.857 3.820 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.835 2.043 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.025 1.379 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.433 1.496 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.698 4.268 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.339 3.822 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.538 5.250 3.936 1.00 0.00 H new