USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 785 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 Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 161:sc= -0.0918 (180deg=-0.931) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.019 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00637) USER MOD Single : A 43 THR OG1 : rot 26:sc= 1.57 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 51:sc= 1.31 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0.908 (180deg=0.847) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 70:sc=0.000768 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -49:sc= 1.19 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00711 USER MOD Single : A 78 SER OG : rot 33:sc= -0.235 USER MOD Single : A 79 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0.971 (180deg=0.958) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.225 USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= 1.12 (180deg=0.0144) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 0.406 (180deg=0.296) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 77:sc= 0.196 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.947 13.792 -0.498 1.00 0.00 N ATOM 106 CA GLY A 19 -4.981 13.293 0.422 1.00 0.00 C ATOM 107 C GLY A 19 -4.636 11.974 1.117 1.00 0.00 C ATOM 108 O GLY A 19 -3.881 11.159 0.594 1.00 0.00 O ATOM 0 HA2 GLY A 19 -5.167 14.051 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.910 13.163 -0.133 1.00 0.00 H new ATOM 112 N ASP A 20 -5.205 11.745 2.299 1.00 0.00 N ATOM 113 CA ASP A 20 -5.067 10.503 3.076 1.00 0.00 C ATOM 114 C ASP A 20 -6.226 9.520 2.793 1.00 0.00 C ATOM 115 O ASP A 20 -7.339 9.931 2.454 1.00 0.00 O ATOM 116 CB ASP A 20 -5.007 10.881 4.572 1.00 0.00 C ATOM 117 CG ASP A 20 -5.078 9.690 5.552 1.00 0.00 C ATOM 118 OD1 ASP A 20 -6.205 9.276 5.913 1.00 0.00 O ATOM 119 OD2 ASP A 20 -4.010 9.196 5.983 1.00 0.00 O ATOM 0 H ASP A 20 -5.794 12.437 2.762 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.152 9.988 2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.082 11.428 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.829 11.562 4.792 1.00 0.00 H new ATOM 124 N ALA A 21 -5.964 8.219 2.963 1.00 0.00 N ATOM 125 CA ALA A 21 -6.910 7.120 2.759 1.00 0.00 C ATOM 126 C ALA A 21 -6.619 5.940 3.717 1.00 0.00 C ATOM 127 O ALA A 21 -6.291 4.824 3.304 1.00 0.00 O ATOM 128 CB ALA A 21 -6.879 6.736 1.275 1.00 0.00 C ATOM 0 H ALA A 21 -5.045 7.891 3.260 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.924 7.432 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.576 5.918 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.166 7.596 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.872 6.421 1.002 1.00 0.00 H new ATOM 134 N ASN A 22 -6.744 6.204 5.022 1.00 0.00 N ATOM 135 CA ASN A 22 -6.753 5.223 6.118 1.00 0.00 C ATOM 136 C ASN A 22 -5.442 4.407 6.216 1.00 0.00 C ATOM 137 O ASN A 22 -4.507 4.822 6.905 1.00 0.00 O ATOM 138 CB ASN A 22 -8.019 4.340 6.046 1.00 0.00 C ATOM 139 CG ASN A 22 -9.303 5.155 6.192 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.598 5.699 7.250 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.098 5.272 5.140 1.00 0.00 N ATOM 0 H ASN A 22 -6.847 7.160 5.363 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.797 5.778 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.035 3.808 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.979 3.586 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.958 5.816 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.850 4.818 4.261 1.00 0.00 H new ATOM 148 N ILE A 23 -5.363 3.245 5.548 1.00 0.00 N ATOM 149 CA ILE A 23 -4.158 2.386 5.512 1.00 0.00 C ATOM 150 C ILE A 23 -3.048 3.030 4.662 1.00 0.00 C ATOM 151 O ILE A 23 -1.868 2.762 4.899 1.00 0.00 O ATOM 152 CB ILE A 23 -4.545 0.963 5.021 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.578 0.314 5.978 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.307 0.049 4.885 1.00 0.00 C ATOM 155 CD1 ILE A 23 -6.178 -1.005 5.471 1.00 0.00 C ATOM 0 H ILE A 23 -6.142 2.867 5.009 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.750 2.287 6.518 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.994 1.074 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.099 0.134 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.387 1.023 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.619 -0.937 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.612 0.482 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.816 -0.045 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.889 -1.387 6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.690 -0.832 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.381 -1.735 5.325 1.00 0.00 H new ATOM 167 N PHE A 24 -3.398 3.901 3.705 1.00 0.00 N ATOM 168 CA PHE A 24 -2.445 4.558 2.816 1.00 0.00 C ATOM 169 C PHE A 24 -2.656 6.077 2.713 1.00 0.00 C ATOM 170 O PHE A 24 -3.639 6.624 3.210 1.00 0.00 O ATOM 171 CB PHE A 24 -2.473 3.843 1.456 1.00 0.00 C ATOM 172 CG PHE A 24 -3.803 3.835 0.729 1.00 0.00 C ATOM 173 CD1 PHE A 24 -4.769 2.861 1.041 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.067 4.781 -0.278 1.00 0.00 C ATOM 175 CE1 PHE A 24 -5.992 2.828 0.354 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.287 4.743 -0.974 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.252 3.770 -0.656 1.00 0.00 C ATOM 0 H PHE A 24 -4.366 4.169 3.529 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.445 4.468 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.732 4.311 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.159 2.810 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.568 2.134 1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.332 5.536 -0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.732 2.081 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.484 5.462 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.192 3.747 -1.188 1.00 0.00 H new ATOM 187 N ARG A 25 -1.703 6.763 2.075 1.00 0.00 N ATOM 188 CA ARG A 25 -1.652 8.221 1.892 1.00 0.00 C ATOM 189 C ARG A 25 -1.185 8.530 0.477 1.00 0.00 C ATOM 190 O ARG A 25 -0.256 7.891 -0.003 1.00 0.00 O ATOM 191 CB ARG A 25 -0.676 8.844 2.907 1.00 0.00 C ATOM 192 CG ARG A 25 -1.381 9.102 4.244 1.00 0.00 C ATOM 193 CD ARG A 25 -0.419 9.344 5.413 1.00 0.00 C ATOM 194 NE ARG A 25 0.343 8.128 5.761 1.00 0.00 N ATOM 195 CZ ARG A 25 -0.130 7.030 6.345 1.00 0.00 C ATOM 196 NH1 ARG A 25 -1.397 6.906 6.686 1.00 0.00 N ATOM 197 NH2 ARG A 25 0.685 6.027 6.592 1.00 0.00 N ATOM 0 H ARG A 25 -0.904 6.294 1.649 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.645 8.642 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.173 8.178 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.280 9.779 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.035 9.968 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.017 8.249 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.274 10.144 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.983 9.680 6.283 1.00 0.00 H new ATOM 0 HE ARG A 25 1.336 8.130 5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.051 7.667 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.724 6.049 7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.670 6.095 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.332 5.181 7.039 1.00 0.00 H new ATOM 211 N VAL A 26 -1.826 9.490 -0.176 1.00 0.00 N ATOM 212 CA VAL A 26 -1.580 9.829 -1.591 1.00 0.00 C ATOM 213 C VAL A 26 -0.935 11.211 -1.693 1.00 0.00 C ATOM 214 O VAL A 26 -1.473 12.182 -1.160 1.00 0.00 O ATOM 215 CB VAL A 26 -2.885 9.802 -2.419 1.00 0.00 C ATOM 216 CG1 VAL A 26 -2.611 10.032 -3.917 1.00 0.00 C ATOM 217 CG2 VAL A 26 -3.636 8.471 -2.236 1.00 0.00 C ATOM 0 H VAL A 26 -2.544 10.070 0.259 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.905 9.077 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.508 10.616 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.552 10.006 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.136 11.003 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.951 9.249 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.549 8.484 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.001 7.647 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.890 8.338 -1.184 1.00 0.00 H new ATOM 227 N ASP A 27 0.189 11.301 -2.408 1.00 0.00 N ATOM 228 CA ASP A 27 0.818 12.572 -2.782 1.00 0.00 C ATOM 229 C ASP A 27 0.658 12.811 -4.290 1.00 0.00 C ATOM 230 O ASP A 27 1.099 12.010 -5.118 1.00 0.00 O ATOM 231 CB ASP A 27 2.288 12.602 -2.351 1.00 0.00 C ATOM 232 CG ASP A 27 2.918 13.979 -2.618 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.258 14.272 -3.788 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.046 14.771 -1.652 1.00 0.00 O ATOM 0 H ASP A 27 0.695 10.483 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 27 0.317 13.385 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.363 12.364 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.843 11.834 -2.890 1.00 0.00 H new ATOM 239 N LYS A 28 -0.002 13.917 -4.643 1.00 0.00 N ATOM 240 CA LYS A 28 -0.431 14.213 -6.016 1.00 0.00 C ATOM 241 C LYS A 28 0.635 14.967 -6.844 1.00 0.00 C ATOM 242 O LYS A 28 0.627 14.879 -8.072 1.00 0.00 O ATOM 243 CB LYS A 28 -1.743 15.009 -5.900 1.00 0.00 C ATOM 244 CG LYS A 28 -2.647 14.990 -7.144 1.00 0.00 C ATOM 245 CD LYS A 28 -3.475 13.700 -7.246 1.00 0.00 C ATOM 246 CE LYS A 28 -4.472 13.813 -8.410 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.411 12.657 -8.455 1.00 0.00 N ATOM 0 H LYS A 28 -0.258 14.644 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.580 13.283 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.310 14.618 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.498 16.045 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.318 15.848 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.033 15.096 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.816 12.845 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.010 13.525 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.040 14.738 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.925 13.873 -9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.066 12.773 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.871 11.776 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.952 12.614 -7.568 1.00 0.00 H new ATOM 261 N ASP A 29 1.562 15.682 -6.193 1.00 0.00 N ATOM 262 CA ASP A 29 2.683 16.378 -6.844 1.00 0.00 C ATOM 263 C ASP A 29 3.730 15.376 -7.359 1.00 0.00 C ATOM 264 O ASP A 29 4.102 15.408 -8.533 1.00 0.00 O ATOM 265 CB ASP A 29 3.354 17.360 -5.868 1.00 0.00 C ATOM 266 CG ASP A 29 2.512 18.612 -5.577 1.00 0.00 C ATOM 267 OD1 ASP A 29 2.310 19.425 -6.510 1.00 0.00 O ATOM 268 OD2 ASP A 29 2.110 18.804 -4.404 1.00 0.00 O ATOM 0 H ASP A 29 1.555 15.796 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 29 2.278 16.933 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.558 16.844 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.316 17.667 -6.279 1.00 0.00 H new ATOM 273 N SER A 30 4.177 14.461 -6.497 1.00 0.00 N ATOM 274 CA SER A 30 5.106 13.378 -6.854 1.00 0.00 C ATOM 275 C SER A 30 4.396 12.146 -7.452 1.00 0.00 C ATOM 276 O SER A 30 5.063 11.266 -8.003 1.00 0.00 O ATOM 277 CB SER A 30 5.935 12.974 -5.625 1.00 0.00 C ATOM 278 OG SER A 30 6.802 14.031 -5.218 1.00 0.00 O ATOM 0 H SER A 30 3.902 14.448 -5.515 1.00 0.00 H new ATOM 0 HA SER A 30 5.763 13.765 -7.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.268 12.710 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.523 12.086 -5.856 1.00 0.00 H new ATOM 0 HG SER A 30 7.317 13.748 -4.433 1.00 0.00 H new ATOM 284 N ARG A 31 3.054 12.089 -7.376 1.00 0.00 N ATOM 285 CA ARG A 31 2.178 11.126 -8.072 1.00 0.00 C ATOM 286 C ARG A 31 2.370 9.689 -7.539 1.00 0.00 C ATOM 287 O ARG A 31 2.529 8.728 -8.296 1.00 0.00 O ATOM 288 CB ARG A 31 2.359 11.294 -9.597 1.00 0.00 C ATOM 289 CG ARG A 31 1.158 10.799 -10.420 1.00 0.00 C ATOM 290 CD ARG A 31 1.280 11.241 -11.886 1.00 0.00 C ATOM 291 NE ARG A 31 1.083 12.697 -12.032 1.00 0.00 N ATOM 292 CZ ARG A 31 1.372 13.437 -13.099 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.856 12.913 -14.206 1.00 0.00 N ATOM 294 NH2 ARG A 31 1.167 14.736 -13.066 1.00 0.00 N ATOM 0 H ARG A 31 2.525 12.744 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 31 1.131 11.338 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.532 12.347 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.251 10.752 -9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.099 9.712 -10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.234 11.189 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.263 10.966 -12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.543 10.711 -12.489 1.00 0.00 H new ATOM 0 HE ARG A 31 0.684 13.186 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.021 11.908 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.066 13.512 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.788 15.171 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.387 15.308 -13.881 1.00 0.00 H new ATOM 308 N GLU A 32 2.380 9.562 -6.211 1.00 0.00 N ATOM 309 CA GLU A 32 2.846 8.396 -5.446 1.00 0.00 C ATOM 310 C GLU A 32 1.874 8.029 -4.303 1.00 0.00 C ATOM 311 O GLU A 32 1.015 8.837 -3.942 1.00 0.00 O ATOM 312 CB GLU A 32 4.275 8.675 -4.933 1.00 0.00 C ATOM 313 CG GLU A 32 4.394 9.887 -4.000 1.00 0.00 C ATOM 314 CD GLU A 32 5.841 10.202 -3.564 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.817 9.675 -4.151 1.00 0.00 O ATOM 316 OE2 GLU A 32 6.010 11.023 -2.631 1.00 0.00 O ATOM 0 H GLU A 32 2.045 10.310 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 32 2.870 7.524 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.637 7.791 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.931 8.827 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.978 10.761 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.788 9.710 -3.112 1.00 0.00 H new ATOM 323 N VAL A 33 2.000 6.816 -3.742 1.00 0.00 N ATOM 324 CA VAL A 33 1.059 6.271 -2.735 1.00 0.00 C ATOM 325 C VAL A 33 1.794 5.437 -1.672 1.00 0.00 C ATOM 326 O VAL A 33 2.540 4.510 -1.971 1.00 0.00 O ATOM 327 CB VAL A 33 -0.147 5.534 -3.389 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.262 4.366 -4.306 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.133 5.030 -2.324 1.00 0.00 C ATOM 0 H VAL A 33 2.761 6.177 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 33 0.618 7.114 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.631 6.280 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.631 3.902 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.889 4.741 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.818 3.627 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.964 4.520 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.623 4.337 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.512 5.875 -1.750 1.00 0.00 H new ATOM 339 N TYR A 34 1.628 5.812 -0.404 1.00 0.00 N ATOM 340 CA TYR A 34 2.404 5.322 0.740 1.00 0.00 C ATOM 341 C TYR A 34 1.526 4.438 1.633 1.00 0.00 C ATOM 342 O TYR A 34 0.518 4.926 2.134 1.00 0.00 O ATOM 343 CB TYR A 34 2.927 6.533 1.542 1.00 0.00 C ATOM 344 CG TYR A 34 4.205 7.211 1.057 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.493 7.387 -0.313 1.00 0.00 C ATOM 346 CD2 TYR A 34 5.129 7.677 2.016 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.705 7.976 -0.720 1.00 0.00 C ATOM 348 CE2 TYR A 34 6.340 8.275 1.619 1.00 0.00 C ATOM 349 CZ TYR A 34 6.638 8.416 0.245 1.00 0.00 C ATOM 350 OH TYR A 34 7.825 8.960 -0.152 1.00 0.00 O ATOM 0 H TYR A 34 0.920 6.494 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 34 3.244 4.725 0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.138 7.285 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.090 6.209 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.777 7.067 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.905 7.574 3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.922 8.092 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.040 8.625 2.363 1.00 0.00 H new ATOM 0 HH TYR A 34 8.350 9.211 0.637 1.00 0.00 H new ATOM 360 N MET A 35 1.885 3.167 1.860 1.00 0.00 N ATOM 361 CA MET A 35 1.168 2.258 2.756 1.00 0.00 C ATOM 362 C MET A 35 1.759 2.334 4.166 1.00 0.00 C ATOM 363 O MET A 35 2.961 2.555 4.322 1.00 0.00 O ATOM 364 CB MET A 35 1.278 0.809 2.247 1.00 0.00 C ATOM 365 CG MET A 35 0.950 0.636 0.757 1.00 0.00 C ATOM 366 SD MET A 35 1.151 -1.049 0.115 1.00 0.00 S ATOM 367 CE MET A 35 0.065 -1.971 1.233 1.00 0.00 C ATOM 0 H MET A 35 2.697 2.737 1.417 1.00 0.00 H new ATOM 0 HA MET A 35 0.120 2.557 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.291 0.448 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.606 0.179 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.080 0.952 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.587 1.306 0.180 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.189 -2.931 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.576 -2.138 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.847 -1.400 1.408 1.00 0.00 H new ATOM 377 N HIS A 36 0.959 2.039 5.191 1.00 0.00 N ATOM 378 CA HIS A 36 1.430 1.864 6.572 1.00 0.00 C ATOM 379 C HIS A 36 2.625 0.879 6.696 1.00 0.00 C ATOM 380 O HIS A 36 3.474 1.034 7.580 1.00 0.00 O ATOM 381 CB HIS A 36 0.232 1.411 7.418 1.00 0.00 C ATOM 382 CG HIS A 36 0.544 1.305 8.887 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.897 0.133 9.559 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.542 2.342 9.773 1.00 0.00 C ATOM 385 CE1 HIS A 36 1.097 0.496 10.838 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.891 1.816 10.997 1.00 0.00 N ATOM 0 H HIS A 36 -0.048 1.913 5.088 1.00 0.00 H new ATOM 0 HA HIS A 36 1.820 2.815 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.589 2.114 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.113 0.442 7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.312 3.375 9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.384 -0.180 11.630 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.978 2.336 11.870 1.00 0.00 H new ATOM 394 N GLU A 37 2.721 -0.094 5.781 1.00 0.00 N ATOM 395 CA GLU A 37 3.783 -1.103 5.718 1.00 0.00 C ATOM 396 C GLU A 37 5.069 -0.581 5.039 1.00 0.00 C ATOM 397 O GLU A 37 6.154 -1.042 5.397 1.00 0.00 O ATOM 398 CB GLU A 37 3.281 -2.356 4.961 1.00 0.00 C ATOM 399 CG GLU A 37 2.163 -3.138 5.673 1.00 0.00 C ATOM 400 CD GLU A 37 0.820 -2.393 5.786 1.00 0.00 C ATOM 401 OE1 GLU A 37 0.481 -1.595 4.880 1.00 0.00 O ATOM 402 OE2 GLU A 37 0.096 -2.618 6.787 1.00 0.00 O ATOM 0 H GLU A 37 2.033 -0.203 5.036 1.00 0.00 H new ATOM 0 HA GLU A 37 4.035 -1.355 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.921 -2.049 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.125 -3.026 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.998 -4.074 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.503 -3.398 6.676 1.00 0.00 H new ATOM 409 N LYS A 38 4.965 0.346 4.067 1.00 0.00 N ATOM 410 CA LYS A 38 6.006 0.668 3.057 1.00 0.00 C ATOM 411 C LYS A 38 5.533 1.687 1.997 1.00 0.00 C ATOM 412 O LYS A 38 4.362 1.697 1.622 1.00 0.00 O ATOM 413 CB LYS A 38 6.523 -0.626 2.374 1.00 0.00 C ATOM 414 CG LYS A 38 5.422 -1.467 1.683 1.00 0.00 C ATOM 415 CD LYS A 38 5.643 -2.979 1.878 1.00 0.00 C ATOM 416 CE LYS A 38 4.396 -3.835 1.578 1.00 0.00 C ATOM 417 NZ LYS A 38 3.848 -3.679 0.191 1.00 0.00 N ATOM 0 H LYS A 38 4.126 0.915 3.955 1.00 0.00 H new ATOM 0 HA LYS A 38 6.824 1.142 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.276 -0.356 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.020 -1.244 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.448 -1.188 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.406 -1.237 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.459 -3.304 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.958 -3.161 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.644 -4.884 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.615 -3.578 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.441 -4.582 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.109 -2.947 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.613 -3.399 -0.455 1.00 0.00 H new ATOM 431 N LYS A 39 6.430 2.514 1.440 1.00 0.00 N ATOM 432 CA LYS A 39 6.079 3.530 0.439 1.00 0.00 C ATOM 433 C LYS A 39 6.219 3.069 -1.031 1.00 0.00 C ATOM 434 O LYS A 39 7.125 2.300 -1.340 1.00 0.00 O ATOM 435 CB LYS A 39 6.830 4.824 0.793 1.00 0.00 C ATOM 436 CG LYS A 39 8.344 4.839 1.072 1.00 0.00 C ATOM 437 CD LYS A 39 9.242 4.524 -0.137 1.00 0.00 C ATOM 438 CE LYS A 39 10.592 5.270 -0.081 1.00 0.00 C ATOM 439 NZ LYS A 39 11.360 5.047 1.183 1.00 0.00 N ATOM 0 H LYS A 39 7.423 2.496 1.673 1.00 0.00 H new ATOM 0 HA LYS A 39 5.008 3.724 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.654 5.523 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.344 5.238 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.615 5.822 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.558 4.117 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.425 3.450 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.719 4.794 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.204 4.955 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.410 6.338 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.275 5.538 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.818 5.419 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.522 4.028 1.316 1.00 0.00 H new ATOM 453 N LEU A 40 5.325 3.515 -1.933 1.00 0.00 N ATOM 454 CA LEU A 40 5.305 3.153 -3.363 1.00 0.00 C ATOM 455 C LEU A 40 5.058 4.369 -4.268 1.00 0.00 C ATOM 456 O LEU A 40 4.459 5.371 -3.881 1.00 0.00 O ATOM 457 CB LEU A 40 4.208 2.089 -3.617 1.00 0.00 C ATOM 458 CG LEU A 40 4.562 0.671 -3.142 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.303 -0.199 -3.138 1.00 0.00 C ATOM 460 CD2 LEU A 40 5.614 0.024 -4.056 1.00 0.00 C ATOM 0 H LEU A 40 4.574 4.157 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 40 6.287 2.751 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.292 2.406 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.994 2.056 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 40 4.973 0.746 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.556 -1.204 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.564 0.234 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.891 -0.248 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.844 -0.978 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.225 -0.038 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.521 0.628 -4.051 1.00 0.00 H new ATOM 472 N ASP A 41 5.484 4.233 -5.517 1.00 0.00 N ATOM 473 CA ASP A 41 5.413 5.235 -6.585 1.00 0.00 C ATOM 474 C ASP A 41 5.429 4.505 -7.939 1.00 0.00 C ATOM 475 O ASP A 41 6.168 3.530 -8.087 1.00 0.00 O ATOM 476 CB ASP A 41 6.619 6.185 -6.447 1.00 0.00 C ATOM 477 CG ASP A 41 6.829 7.105 -7.664 1.00 0.00 C ATOM 478 OD1 ASP A 41 5.841 7.694 -8.157 1.00 0.00 O ATOM 479 OD2 ASP A 41 7.993 7.225 -8.120 1.00 0.00 O ATOM 0 H ASP A 41 5.917 3.366 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 41 4.498 5.824 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.485 6.800 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.520 5.592 -6.292 1.00 0.00 H new ATOM 484 N LEU A 42 4.629 4.954 -8.916 1.00 0.00 N ATOM 485 CA LEU A 42 4.544 4.322 -10.242 1.00 0.00 C ATOM 486 C LEU A 42 4.022 5.313 -11.300 1.00 0.00 C ATOM 487 O LEU A 42 4.839 6.025 -11.886 1.00 0.00 O ATOM 488 CB LEU A 42 3.783 2.969 -10.120 1.00 0.00 C ATOM 489 CG LEU A 42 4.060 1.891 -11.197 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.544 1.787 -11.553 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.666 0.514 -10.633 1.00 0.00 C ATOM 0 H LEU A 42 4.022 5.766 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 42 5.533 4.060 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.017 2.539 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.714 3.183 -10.126 1.00 0.00 H new ATOM 0 HG LEU A 42 3.489 2.175 -12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.683 1.017 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.894 2.745 -11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.114 1.525 -10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.856 -0.254 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.255 0.304 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.607 0.516 -10.376 1.00 0.00 H new ATOM 503 N THR A 43 2.698 5.384 -11.507 1.00 0.00 N ATOM 504 CA THR A 43 1.960 6.335 -12.377 1.00 0.00 C ATOM 505 C THR A 43 0.504 6.371 -11.919 1.00 0.00 C ATOM 506 O THR A 43 0.061 5.432 -11.271 1.00 0.00 O ATOM 507 CB THR A 43 2.110 5.947 -13.866 1.00 0.00 C ATOM 508 OG1 THR A 43 3.384 6.350 -14.313 1.00 0.00 O ATOM 509 CG2 THR A 43 1.119 6.559 -14.861 1.00 0.00 C ATOM 0 H THR A 43 2.063 4.736 -11.041 1.00 0.00 H new ATOM 0 HA THR A 43 2.376 7.338 -12.288 1.00 0.00 H new ATOM 0 HB THR A 43 1.926 4.873 -13.862 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.001 6.388 -13.552 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.343 6.199 -15.865 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.104 6.268 -14.589 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.204 7.645 -14.837 1.00 0.00 H new ATOM 517 N ARG A 44 -0.245 7.431 -12.253 1.00 0.00 N ATOM 518 CA ARG A 44 -1.621 7.696 -11.780 1.00 0.00 C ATOM 519 C ARG A 44 -2.525 6.453 -11.810 1.00 0.00 C ATOM 520 O ARG A 44 -3.130 6.110 -10.801 1.00 0.00 O ATOM 521 CB ARG A 44 -2.231 8.843 -12.613 1.00 0.00 C ATOM 522 CG ARG A 44 -3.565 9.358 -12.039 1.00 0.00 C ATOM 523 CD ARG A 44 -4.297 10.336 -12.971 1.00 0.00 C ATOM 524 NE ARG A 44 -3.555 11.600 -13.169 1.00 0.00 N ATOM 525 CZ ARG A 44 -4.070 12.825 -13.249 1.00 0.00 C ATOM 526 NH1 ARG A 44 -5.360 13.059 -13.116 1.00 0.00 N ATOM 527 NH2 ARG A 44 -3.278 13.852 -13.471 1.00 0.00 N ATOM 0 H ARG A 44 0.098 8.157 -12.882 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.558 7.988 -10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.520 9.668 -12.662 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.390 8.498 -13.635 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.216 8.508 -11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.375 9.851 -11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.458 9.859 -13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.281 10.558 -12.558 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.541 11.525 -13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.004 12.286 -12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.715 14.013 -13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.274 13.708 -13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.668 14.793 -13.533 1.00 0.00 H new ATOM 541 N ALA A 45 -2.597 5.754 -12.946 1.00 0.00 N ATOM 542 CA ALA A 45 -3.443 4.568 -13.109 1.00 0.00 C ATOM 543 C ALA A 45 -2.992 3.396 -12.210 1.00 0.00 C ATOM 544 O ALA A 45 -3.837 2.763 -11.574 1.00 0.00 O ATOM 545 CB ALA A 45 -3.468 4.220 -14.603 1.00 0.00 C ATOM 0 H ALA A 45 -2.067 5.996 -13.783 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.459 4.778 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.090 3.339 -14.761 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.877 5.059 -15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.454 4.014 -14.946 1.00 0.00 H new ATOM 551 N GLU A 46 -1.680 3.159 -12.078 1.00 0.00 N ATOM 552 CA GLU A 46 -1.109 2.175 -11.160 1.00 0.00 C ATOM 553 C GLU A 46 -1.375 2.527 -9.687 1.00 0.00 C ATOM 554 O GLU A 46 -1.699 1.676 -8.860 1.00 0.00 O ATOM 555 CB GLU A 46 0.393 2.063 -11.420 1.00 0.00 C ATOM 556 CG GLU A 46 0.705 1.271 -12.693 1.00 0.00 C ATOM 557 CD GLU A 46 0.923 2.178 -13.920 1.00 0.00 C ATOM 558 OE1 GLU A 46 -0.068 2.698 -14.479 1.00 0.00 O ATOM 559 OE2 GLU A 46 2.092 2.369 -14.326 1.00 0.00 O ATOM 0 H GLU A 46 -0.975 3.659 -12.620 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.594 1.216 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.821 3.062 -11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.872 1.581 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.597 0.666 -12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.114 0.582 -12.897 1.00 0.00 H new ATOM 566 N TYR A 47 -1.316 3.814 -9.367 1.00 0.00 N ATOM 567 CA TYR A 47 -1.851 4.321 -8.097 1.00 0.00 C ATOM 568 C TYR A 47 -3.343 3.971 -7.911 1.00 0.00 C ATOM 569 O TYR A 47 -3.669 3.403 -6.867 1.00 0.00 O ATOM 570 CB TYR A 47 -1.533 5.818 -7.912 1.00 0.00 C ATOM 571 CG TYR A 47 -2.585 6.619 -7.157 1.00 0.00 C ATOM 572 CD1 TYR A 47 -3.001 6.240 -5.865 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.213 7.705 -7.794 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.088 6.891 -5.250 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.290 8.371 -7.181 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.748 7.949 -5.914 1.00 0.00 C ATOM 577 OH TYR A 47 -5.821 8.569 -5.344 1.00 0.00 O ATOM 0 H TYR A 47 -0.904 4.530 -9.965 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.337 3.803 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.584 5.908 -7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.395 6.267 -8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.484 5.447 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.865 8.031 -8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.417 6.581 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.765 9.203 -7.679 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.147 9.274 -5.942 1.00 0.00 H new ATOM 587 N GLU A 48 -4.225 4.238 -8.888 1.00 0.00 N ATOM 588 CA GLU A 48 -5.661 3.896 -8.786 1.00 0.00 C ATOM 589 C GLU A 48 -5.867 2.419 -8.434 1.00 0.00 C ATOM 590 O GLU A 48 -6.645 2.113 -7.528 1.00 0.00 O ATOM 591 CB GLU A 48 -6.476 4.136 -10.075 1.00 0.00 C ATOM 592 CG GLU A 48 -6.536 5.572 -10.598 1.00 0.00 C ATOM 593 CD GLU A 48 -7.626 6.393 -9.889 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.433 6.800 -8.719 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.690 6.647 -10.505 1.00 0.00 O ATOM 0 H GLU A 48 -3.970 4.693 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.018 4.566 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.061 3.506 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.497 3.796 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.568 6.052 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.730 5.560 -11.671 1.00 0.00 H new ATOM 602 N ILE A 49 -5.174 1.496 -9.122 1.00 0.00 N ATOM 603 CA ILE A 49 -5.348 0.068 -8.836 1.00 0.00 C ATOM 604 C ILE A 49 -4.811 -0.315 -7.462 1.00 0.00 C ATOM 605 O ILE A 49 -5.503 -1.045 -6.761 1.00 0.00 O ATOM 606 CB ILE A 49 -4.768 -0.840 -9.939 1.00 0.00 C ATOM 607 CG1 ILE A 49 -3.385 -0.417 -10.445 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.824 -1.030 -11.020 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.621 -1.402 -11.321 1.00 0.00 C ATOM 0 H ILE A 49 -4.505 1.708 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.425 -0.102 -8.825 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.548 -1.818 -9.510 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.502 0.510 -11.006 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.766 -0.189 -9.578 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.427 -1.671 -11.808 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.710 -1.494 -10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.092 -0.061 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.661 -0.969 -11.604 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.453 -2.326 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.201 -1.616 -12.219 1.00 0.00 H new ATOM 621 N LEU A 50 -3.625 0.152 -7.055 1.00 0.00 N ATOM 622 CA LEU A 50 -3.038 -0.270 -5.778 1.00 0.00 C ATOM 623 C LEU A 50 -3.774 0.358 -4.571 1.00 0.00 C ATOM 624 O LEU A 50 -4.060 -0.328 -3.589 1.00 0.00 O ATOM 625 CB LEU A 50 -1.528 0.026 -5.842 1.00 0.00 C ATOM 626 CG LEU A 50 -0.727 -0.648 -4.708 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.526 -1.337 -5.267 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.334 0.381 -3.640 1.00 0.00 C ATOM 0 H LEU A 50 -3.058 0.815 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.165 -1.341 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.139 -0.311 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.373 1.104 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.362 -1.404 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.077 -1.806 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.231 -2.097 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.160 -0.598 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.230 -0.113 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.281 1.159 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.234 0.830 -3.218 1.00 0.00 H new ATOM 640 N SER A 51 -4.177 1.626 -4.681 1.00 0.00 N ATOM 641 CA SER A 51 -5.186 2.271 -3.824 1.00 0.00 C ATOM 642 C SER A 51 -6.442 1.408 -3.648 1.00 0.00 C ATOM 643 O SER A 51 -6.757 1.016 -2.516 1.00 0.00 O ATOM 644 CB SER A 51 -5.553 3.629 -4.447 1.00 0.00 C ATOM 645 OG SER A 51 -6.663 4.253 -3.817 1.00 0.00 O ATOM 0 H SER A 51 -3.801 2.256 -5.390 1.00 0.00 H new ATOM 0 HA SER A 51 -4.762 2.405 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.690 4.293 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.776 3.488 -5.505 1.00 0.00 H new ATOM 0 HG SER A 51 -6.517 4.279 -2.848 1.00 0.00 H new ATOM 651 N LEU A 52 -7.129 1.052 -4.747 1.00 0.00 N ATOM 652 CA LEU A 52 -8.333 0.231 -4.652 1.00 0.00 C ATOM 653 C LEU A 52 -8.036 -1.155 -4.081 1.00 0.00 C ATOM 654 O LEU A 52 -8.865 -1.700 -3.363 1.00 0.00 O ATOM 655 CB LEU A 52 -9.019 0.094 -6.019 1.00 0.00 C ATOM 656 CG LEU A 52 -10.535 -0.151 -5.846 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.289 1.153 -5.537 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.111 -0.785 -7.112 1.00 0.00 C ATOM 0 H LEU A 52 -6.870 1.319 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.008 0.743 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.856 0.998 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.573 -0.731 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.665 -0.827 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.352 0.940 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.904 1.586 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.147 1.858 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.180 -0.954 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.951 -0.117 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.614 -1.736 -7.301 1.00 0.00 H new ATOM 670 N LEU A 53 -6.867 -1.730 -4.379 1.00 0.00 N ATOM 671 CA LEU A 53 -6.465 -3.039 -3.870 1.00 0.00 C ATOM 672 C LEU A 53 -6.428 -3.032 -2.341 1.00 0.00 C ATOM 673 O LEU A 53 -6.993 -3.914 -1.698 1.00 0.00 O ATOM 674 CB LEU A 53 -5.093 -3.393 -4.462 1.00 0.00 C ATOM 675 CG LEU A 53 -4.718 -4.873 -4.338 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.655 -5.746 -5.188 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.249 -5.019 -4.728 1.00 0.00 C ATOM 0 H LEU A 53 -6.171 -1.295 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.190 -3.795 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.082 -3.114 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.330 -2.794 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.842 -5.222 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.370 -6.793 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.682 -5.614 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.578 -5.451 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.954 -6.065 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.110 -4.679 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.634 -4.417 -4.060 1.00 0.00 H new ATOM 689 N ILE A 54 -5.804 -2.014 -1.750 1.00 0.00 N ATOM 690 CA ILE A 54 -5.738 -1.875 -0.289 1.00 0.00 C ATOM 691 C ILE A 54 -7.116 -1.548 0.305 1.00 0.00 C ATOM 692 O ILE A 54 -7.495 -2.158 1.306 1.00 0.00 O ATOM 693 CB ILE A 54 -4.689 -0.810 0.095 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.284 -1.140 -0.456 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.610 -0.684 1.628 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.418 0.119 -0.566 1.00 0.00 C ATOM 0 H ILE A 54 -5.333 -1.267 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.428 -2.830 0.135 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.011 0.131 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.796 -1.863 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.376 -1.607 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.868 0.069 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.583 -0.388 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.323 -1.644 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.436 -0.148 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.895 0.831 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.306 0.571 0.420 1.00 0.00 H new ATOM 708 N SER A 55 -7.883 -0.624 -0.284 1.00 0.00 N ATOM 709 CA SER A 55 -9.201 -0.266 0.270 1.00 0.00 C ATOM 710 C SER A 55 -10.267 -1.381 0.135 1.00 0.00 C ATOM 711 O SER A 55 -11.120 -1.513 1.019 1.00 0.00 O ATOM 712 CB SER A 55 -9.720 1.058 -0.316 1.00 0.00 C ATOM 713 OG SER A 55 -10.087 0.962 -1.684 1.00 0.00 O ATOM 0 H SER A 55 -7.624 -0.116 -1.130 1.00 0.00 H new ATOM 0 HA SER A 55 -9.034 -0.137 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.583 1.389 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.950 1.822 -0.206 1.00 0.00 H new ATOM 0 HG SER A 55 -10.409 1.833 -1.998 1.00 0.00 H new ATOM 719 N LYS A 56 -10.227 -2.211 -0.923 1.00 0.00 N ATOM 720 CA LYS A 56 -11.174 -3.319 -1.148 1.00 0.00 C ATOM 721 C LYS A 56 -10.766 -4.623 -0.432 1.00 0.00 C ATOM 722 O LYS A 56 -11.648 -5.312 0.081 1.00 0.00 O ATOM 723 CB LYS A 56 -11.425 -3.508 -2.666 1.00 0.00 C ATOM 724 CG LYS A 56 -10.438 -4.417 -3.428 1.00 0.00 C ATOM 725 CD LYS A 56 -10.550 -4.210 -4.951 1.00 0.00 C ATOM 726 CE LYS A 56 -9.675 -5.181 -5.770 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.286 -6.539 -5.876 1.00 0.00 N ATOM 0 H LYS A 56 -9.524 -2.130 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.122 -3.044 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.429 -3.913 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.414 -2.525 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.419 -4.204 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.639 -5.460 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.591 -4.331 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.266 -3.186 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.522 -4.774 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.692 -5.262 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.663 -7.157 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.408 -6.940 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.212 -6.467 -6.343 1.00 0.00 H new ATOM 741 N LYS A 57 -9.454 -4.920 -0.410 1.00 0.00 N ATOM 742 CA LYS A 57 -8.676 -6.006 0.235 1.00 0.00 C ATOM 743 C LYS A 57 -7.665 -6.656 -0.732 1.00 0.00 C ATOM 744 O LYS A 57 -7.903 -6.721 -1.941 1.00 0.00 O ATOM 745 CB LYS A 57 -9.500 -7.065 0.996 1.00 0.00 C ATOM 746 CG LYS A 57 -10.227 -8.092 0.102 1.00 0.00 C ATOM 747 CD LYS A 57 -11.101 -9.078 0.897 1.00 0.00 C ATOM 748 CE LYS A 57 -12.185 -8.437 1.784 1.00 0.00 C ATOM 749 NZ LYS A 57 -13.161 -7.617 1.012 1.00 0.00 N ATOM 0 H LYS A 57 -8.815 -4.312 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.121 -5.489 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.836 -7.602 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.240 -6.554 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.852 -7.561 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.488 -8.652 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.585 -9.755 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.452 -9.685 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.721 -9.222 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.707 -7.810 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.948 -7.338 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.688 -6.765 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.529 -8.175 0.215 1.00 0.00 H new ATOM 763 N GLY A 58 -6.563 -7.173 -0.165 1.00 0.00 N ATOM 764 CA GLY A 58 -5.346 -7.584 -0.877 1.00 0.00 C ATOM 765 C GLY A 58 -5.590 -8.500 -2.077 1.00 0.00 C ATOM 766 O GLY A 58 -5.348 -8.075 -3.202 1.00 0.00 O ATOM 0 H GLY A 58 -6.495 -7.321 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.822 -6.692 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.685 -8.094 -0.176 1.00 0.00 H new ATOM 770 N TYR A 59 -6.082 -9.727 -1.851 1.00 0.00 N ATOM 771 CA TYR A 59 -6.566 -10.648 -2.882 1.00 0.00 C ATOM 772 C TYR A 59 -5.443 -11.005 -3.881 1.00 0.00 C ATOM 773 O TYR A 59 -4.260 -10.802 -3.596 1.00 0.00 O ATOM 774 CB TYR A 59 -7.851 -10.026 -3.480 1.00 0.00 C ATOM 775 CG TYR A 59 -8.671 -10.900 -4.409 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.256 -12.089 -3.930 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.828 -10.540 -5.762 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.990 -12.917 -4.801 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.559 -11.365 -6.639 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.145 -12.559 -6.159 1.00 0.00 C ATOM 781 OH TYR A 59 -10.855 -13.367 -6.997 1.00 0.00 O ATOM 0 H TYR A 59 -6.155 -10.116 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.843 -11.623 -2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.492 -9.714 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.569 -9.124 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.141 -12.366 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.385 -9.626 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.436 -13.828 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.672 -11.086 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.867 -12.976 -7.896 1.00 0.00 H new ATOM 791 N VAL A 60 -5.790 -11.560 -5.042 1.00 0.00 N ATOM 792 CA VAL A 60 -4.867 -11.689 -6.179 1.00 0.00 C ATOM 793 C VAL A 60 -5.169 -10.588 -7.202 1.00 0.00 C ATOM 794 O VAL A 60 -6.283 -10.451 -7.703 1.00 0.00 O ATOM 795 CB VAL A 60 -4.897 -13.092 -6.804 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.830 -13.214 -7.909 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.630 -14.184 -5.753 1.00 0.00 C ATOM 0 H VAL A 60 -6.721 -11.935 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.847 -11.559 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.893 -13.232 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.866 -14.214 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.026 -12.476 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.843 -13.038 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.659 -15.163 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.648 -14.027 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.394 -14.136 -4.977 1.00 0.00 H new ATOM 807 N PHE A 61 -4.142 -9.784 -7.461 1.00 0.00 N ATOM 808 CA PHE A 61 -4.123 -8.581 -8.280 1.00 0.00 C ATOM 809 C PHE A 61 -3.781 -8.982 -9.723 1.00 0.00 C ATOM 810 O PHE A 61 -2.622 -9.245 -10.036 1.00 0.00 O ATOM 811 CB PHE A 61 -3.066 -7.676 -7.618 1.00 0.00 C ATOM 812 CG PHE A 61 -3.019 -6.198 -7.934 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.186 -5.450 -8.171 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.793 -5.527 -7.767 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.120 -4.052 -8.240 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.710 -4.133 -7.913 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.881 -3.392 -8.135 1.00 0.00 C ATOM 0 H PHE A 61 -3.221 -9.977 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.073 -8.050 -8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.190 -7.771 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.088 -8.090 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.133 -5.953 -8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.905 -6.091 -7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.025 -3.478 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.753 -3.635 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.832 -2.317 -8.225 1.00 0.00 H new ATOM 827 N SER A 62 -4.808 -9.121 -10.564 1.00 0.00 N ATOM 828 CA SER A 62 -4.777 -9.886 -11.828 1.00 0.00 C ATOM 829 C SER A 62 -4.966 -9.007 -13.065 1.00 0.00 C ATOM 830 O SER A 62 -5.771 -8.080 -13.025 1.00 0.00 O ATOM 831 CB SER A 62 -5.975 -10.842 -11.840 1.00 0.00 C ATOM 832 OG SER A 62 -5.922 -11.768 -10.760 1.00 0.00 O ATOM 0 H SER A 62 -5.717 -8.693 -10.385 1.00 0.00 H new ATOM 0 HA SER A 62 -3.805 -10.378 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.899 -10.267 -11.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.997 -11.386 -12.784 1.00 0.00 H new ATOM 0 HG SER A 62 -6.083 -11.296 -9.916 1.00 0.00 H new ATOM 838 N ARG A 63 -4.345 -9.342 -14.207 1.00 0.00 N ATOM 839 CA ARG A 63 -4.379 -8.498 -15.420 1.00 0.00 C ATOM 840 C ARG A 63 -5.792 -8.098 -15.913 1.00 0.00 C ATOM 841 O ARG A 63 -5.967 -6.959 -16.333 1.00 0.00 O ATOM 842 CB ARG A 63 -3.492 -9.094 -16.529 1.00 0.00 C ATOM 843 CG ARG A 63 -3.870 -10.512 -16.974 1.00 0.00 C ATOM 844 CD ARG A 63 -2.912 -11.003 -18.072 1.00 0.00 C ATOM 845 NE ARG A 63 -3.268 -12.353 -18.547 1.00 0.00 N ATOM 846 CZ ARG A 63 -4.351 -12.695 -19.237 1.00 0.00 C ATOM 847 NH1 ARG A 63 -5.237 -11.804 -19.626 1.00 0.00 N ATOM 848 NH2 ARG A 63 -4.562 -13.958 -19.540 1.00 0.00 N ATOM 0 H ARG A 63 -3.806 -10.201 -14.319 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.951 -7.541 -15.122 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.531 -8.435 -17.397 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.459 -9.103 -16.181 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.833 -11.190 -16.121 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.895 -10.522 -17.345 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.932 -10.306 -18.910 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.892 -11.010 -17.688 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.614 -13.103 -18.322 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.103 -10.819 -19.399 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.058 -12.098 -20.155 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.895 -14.671 -19.245 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.392 -14.224 -20.069 1.00 0.00 H new ATOM 862 N GLU A 64 -6.811 -8.954 -15.775 1.00 0.00 N ATOM 863 CA GLU A 64 -8.223 -8.624 -16.023 1.00 0.00 C ATOM 864 C GLU A 64 -8.778 -7.569 -15.040 1.00 0.00 C ATOM 865 O GLU A 64 -9.331 -6.557 -15.459 1.00 0.00 O ATOM 866 CB GLU A 64 -9.056 -9.906 -15.892 1.00 0.00 C ATOM 867 CG GLU A 64 -8.709 -11.032 -16.875 1.00 0.00 C ATOM 868 CD GLU A 64 -9.091 -10.749 -18.338 1.00 0.00 C ATOM 869 OE1 GLU A 64 -10.236 -10.312 -18.604 1.00 0.00 O ATOM 870 OE2 GLU A 64 -8.263 -11.038 -19.235 1.00 0.00 O ATOM 0 H GLU A 64 -6.675 -9.921 -15.480 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.288 -8.200 -17.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.943 -10.288 -14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.107 -9.648 -16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.637 -11.223 -16.824 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.211 -11.944 -16.553 1.00 0.00 H new ATOM 877 N SER A 65 -8.623 -7.758 -13.724 1.00 0.00 N ATOM 878 CA SER A 65 -9.094 -6.772 -12.723 1.00 0.00 C ATOM 879 C SER A 65 -8.312 -5.453 -12.833 1.00 0.00 C ATOM 880 O SER A 65 -8.869 -4.362 -12.717 1.00 0.00 O ATOM 881 CB SER A 65 -8.969 -7.340 -11.301 1.00 0.00 C ATOM 882 OG SER A 65 -9.901 -8.392 -11.072 1.00 0.00 O ATOM 0 H SER A 65 -8.176 -8.581 -13.320 1.00 0.00 H new ATOM 0 HA SER A 65 -10.144 -6.567 -12.930 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.956 -7.710 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.133 -6.544 -10.575 1.00 0.00 H new ATOM 0 HG SER A 65 -9.793 -8.732 -10.159 1.00 0.00 H new ATOM 888 N ILE A 66 -7.019 -5.556 -13.141 1.00 0.00 N ATOM 889 CA ILE A 66 -6.142 -4.417 -13.486 1.00 0.00 C ATOM 890 C ILE A 66 -6.655 -3.636 -14.701 1.00 0.00 C ATOM 891 O ILE A 66 -6.687 -2.407 -14.658 1.00 0.00 O ATOM 892 CB ILE A 66 -4.720 -4.958 -13.734 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.151 -5.582 -12.445 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.780 -3.913 -14.351 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.429 -4.620 -11.512 1.00 0.00 C ATOM 0 H ILE A 66 -6.532 -6.452 -13.160 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.136 -3.711 -12.655 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.794 -5.746 -14.483 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.970 -6.047 -11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.460 -6.378 -12.722 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.795 -4.354 -14.502 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.181 -3.584 -15.310 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.696 -3.058 -13.680 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.069 -5.162 -10.638 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.584 -4.172 -12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.116 -3.836 -11.195 1.00 0.00 H new ATOM 907 N ALA A 67 -7.080 -4.324 -15.759 1.00 0.00 N ATOM 908 CA ALA A 67 -7.706 -3.729 -16.941 1.00 0.00 C ATOM 909 C ALA A 67 -9.025 -3.042 -16.583 1.00 0.00 C ATOM 910 O ALA A 67 -9.344 -1.986 -17.129 1.00 0.00 O ATOM 911 CB ALA A 67 -7.981 -4.827 -17.974 1.00 0.00 C ATOM 0 H ALA A 67 -6.997 -5.339 -15.821 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.025 -2.982 -17.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.447 -4.388 -18.856 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.042 -5.302 -18.258 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.649 -5.573 -17.543 1.00 0.00 H new ATOM 917 N ILE A 68 -9.779 -3.641 -15.656 1.00 0.00 N ATOM 918 CA ILE A 68 -11.057 -3.081 -15.191 1.00 0.00 C ATOM 919 C ILE A 68 -10.835 -1.772 -14.409 1.00 0.00 C ATOM 920 O ILE A 68 -11.610 -0.831 -14.606 1.00 0.00 O ATOM 921 CB ILE A 68 -11.871 -4.150 -14.418 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.406 -5.207 -15.416 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.044 -3.538 -13.629 1.00 0.00 C ATOM 924 CD1 ILE A 68 -12.931 -6.490 -14.758 1.00 0.00 C ATOM 0 H ILE A 68 -9.525 -4.522 -15.208 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.666 -2.805 -16.052 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.203 -4.615 -13.693 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.208 -4.761 -16.005 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.608 -5.470 -16.111 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.582 -4.328 -13.105 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.660 -2.819 -12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.721 -3.033 -14.317 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.286 -7.175 -15.528 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.128 -6.964 -14.193 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.752 -6.244 -14.085 1.00 0.00 H new ATOM 936 N GLU A 69 -9.794 -1.675 -13.566 1.00 0.00 N ATOM 937 CA GLU A 69 -9.626 -0.526 -12.672 1.00 0.00 C ATOM 938 C GLU A 69 -8.531 0.492 -13.060 1.00 0.00 C ATOM 939 O GLU A 69 -8.719 1.681 -12.797 1.00 0.00 O ATOM 940 CB GLU A 69 -9.375 -1.058 -11.261 1.00 0.00 C ATOM 941 CG GLU A 69 -10.606 -1.673 -10.590 1.00 0.00 C ATOM 942 CD GLU A 69 -11.841 -0.749 -10.514 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.703 0.495 -10.430 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.979 -1.276 -10.506 1.00 0.00 O ATOM 0 H GLU A 69 -9.060 -2.379 -13.488 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.549 0.049 -12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.586 -1.809 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.006 -0.243 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.882 -2.578 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.336 -1.976 -9.579 1.00 0.00 H new ATOM 951 N SER A 70 -7.406 0.100 -13.676 1.00 0.00 N ATOM 952 CA SER A 70 -6.395 1.086 -14.130 1.00 0.00 C ATOM 953 C SER A 70 -6.703 1.571 -15.556 1.00 0.00 C ATOM 954 O SER A 70 -6.675 2.778 -15.809 1.00 0.00 O ATOM 955 CB SER A 70 -4.946 0.567 -14.011 1.00 0.00 C ATOM 956 OG SER A 70 -4.669 -0.514 -14.890 1.00 0.00 O ATOM 0 H SER A 70 -7.169 -0.873 -13.872 1.00 0.00 H new ATOM 0 HA SER A 70 -6.466 1.938 -13.453 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.255 1.384 -14.220 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.763 0.249 -12.985 1.00 0.00 H new ATOM 0 HG SER A 70 -5.376 -1.188 -14.813 1.00 0.00 H new ATOM 962 N GLU A 71 -7.051 0.644 -16.465 1.00 0.00 N ATOM 963 CA GLU A 71 -7.710 0.919 -17.753 1.00 0.00 C ATOM 964 C GLU A 71 -6.859 1.794 -18.712 1.00 0.00 C ATOM 965 O GLU A 71 -7.369 2.446 -19.623 1.00 0.00 O ATOM 966 CB GLU A 71 -9.125 1.467 -17.466 1.00 0.00 C ATOM 967 CG GLU A 71 -10.124 1.255 -18.614 1.00 0.00 C ATOM 968 CD GLU A 71 -11.538 1.719 -18.229 1.00 0.00 C ATOM 969 OE1 GLU A 71 -11.735 2.927 -17.951 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.481 0.891 -18.243 1.00 0.00 O ATOM 0 H GLU A 71 -6.875 -0.350 -16.318 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.811 -0.010 -18.315 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.513 0.988 -16.567 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.054 2.534 -17.253 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.788 1.803 -19.495 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.148 0.200 -18.885 1.00 0.00 H new ATOM 977 N SER A 72 -5.535 1.819 -18.521 1.00 0.00 N ATOM 978 CA SER A 72 -4.596 2.705 -19.240 1.00 0.00 C ATOM 979 C SER A 72 -4.071 2.091 -20.563 1.00 0.00 C ATOM 980 O SER A 72 -3.058 2.524 -21.121 1.00 0.00 O ATOM 981 CB SER A 72 -3.455 3.094 -18.283 1.00 0.00 C ATOM 982 OG SER A 72 -2.856 4.335 -18.648 1.00 0.00 O ATOM 0 H SER A 72 -5.070 1.211 -17.847 1.00 0.00 H new ATOM 0 HA SER A 72 -5.133 3.602 -19.548 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.841 3.162 -17.266 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.697 2.311 -18.284 1.00 0.00 H new ATOM 0 HG SER A 72 -2.137 4.549 -18.017 1.00 0.00 H new ATOM 988 N ILE A 73 -4.737 1.044 -21.065 1.00 0.00 N ATOM 989 CA ILE A 73 -4.295 0.186 -22.178 1.00 0.00 C ATOM 990 C ILE A 73 -5.500 -0.273 -23.028 1.00 0.00 C ATOM 991 O ILE A 73 -6.614 -0.412 -22.517 1.00 0.00 O ATOM 992 CB ILE A 73 -3.437 -0.972 -21.586 1.00 0.00 C ATOM 993 CG1 ILE A 73 -1.970 -0.910 -22.053 1.00 0.00 C ATOM 994 CG2 ILE A 73 -4.032 -2.377 -21.761 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.725 -1.257 -23.528 1.00 0.00 C ATOM 0 H ILE A 73 -5.641 0.756 -20.691 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.662 0.733 -22.877 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.456 -0.795 -20.511 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.591 0.095 -21.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.383 -1.591 -21.436 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.362 -3.114 -21.317 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.003 -2.425 -21.268 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.154 -2.591 -22.823 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.660 -1.181 -23.748 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.065 -2.274 -23.724 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.276 -0.562 -24.162 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.287 -0.484 -24.333 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.368 -0.757 -25.294 1.00 0.00 C ATOM 1009 C ASN A 74 -7.019 -2.163 -25.165 1.00 0.00 C ATOM 1010 O ASN A 74 -8.246 -2.214 -25.013 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.870 -0.435 -26.716 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.957 -0.651 -27.767 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -7.985 0.016 -27.771 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -6.779 -1.600 -28.672 1.00 0.00 N ATOM 0 H ASN A 74 -4.359 -0.471 -24.755 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.199 -0.094 -25.051 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.529 0.600 -26.755 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.010 -1.063 -26.950 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.498 -1.777 -29.374 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.923 -2.155 -28.668 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.274 -3.295 -25.222 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.852 -4.635 -25.082 1.00 0.00 C ATOM 1023 C PRO A 75 -7.292 -4.926 -23.640 1.00 0.00 C ATOM 1024 O PRO A 75 -6.668 -4.475 -22.681 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.768 -5.613 -25.545 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.474 -4.862 -25.240 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.859 -3.419 -25.561 1.00 0.00 C ATOM 0 HA PRO A 75 -7.757 -4.730 -25.683 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.822 -6.559 -25.007 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.860 -5.844 -26.606 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.169 -4.981 -24.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.646 -5.210 -25.857 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.257 -2.717 -24.984 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.689 -3.195 -26.614 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.355 -5.722 -23.494 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.960 -6.086 -22.212 1.00 0.00 C ATOM 1037 C GLU A 76 -8.175 -7.163 -21.434 1.00 0.00 C ATOM 1038 O GLU A 76 -8.354 -7.309 -20.225 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.420 -6.523 -22.440 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.641 -7.769 -23.317 1.00 0.00 C ATOM 1041 CD GLU A 76 -10.721 -7.432 -24.815 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -9.661 -7.247 -25.457 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -11.847 -7.346 -25.361 1.00 0.00 O ATOM 0 H GLU A 76 -8.832 -6.144 -24.291 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.929 -5.197 -21.582 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.876 -6.707 -21.467 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.958 -5.689 -22.892 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.827 -8.475 -23.150 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.562 -8.266 -23.011 1.00 0.00 H new ATOM 1050 N SER A 77 -7.290 -7.909 -22.100 1.00 0.00 N ATOM 1051 CA SER A 77 -6.439 -8.935 -21.479 1.00 0.00 C ATOM 1052 C SER A 77 -5.226 -8.343 -20.743 1.00 0.00 C ATOM 1053 O SER A 77 -4.800 -8.898 -19.729 1.00 0.00 O ATOM 1054 CB SER A 77 -5.978 -9.919 -22.567 1.00 0.00 C ATOM 1055 OG SER A 77 -5.370 -9.235 -23.661 1.00 0.00 O ATOM 0 H SER A 77 -7.140 -7.817 -23.105 1.00 0.00 H new ATOM 0 HA SER A 77 -7.032 -9.449 -20.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.270 -10.630 -22.141 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.832 -10.495 -22.925 1.00 0.00 H new ATOM 0 HG SER A 77 -5.085 -9.886 -24.336 1.00 0.00 H new ATOM 1061 N SER A 78 -4.695 -7.210 -21.219 1.00 0.00 N ATOM 1062 CA SER A 78 -3.836 -6.276 -20.466 1.00 0.00 C ATOM 1063 C SER A 78 -2.476 -6.823 -20.003 1.00 0.00 C ATOM 1064 O SER A 78 -1.848 -6.236 -19.120 1.00 0.00 O ATOM 1065 CB SER A 78 -4.631 -5.652 -19.308 1.00 0.00 C ATOM 1066 OG SER A 78 -5.414 -4.576 -19.796 1.00 0.00 O ATOM 0 H SER A 78 -4.856 -6.903 -22.178 1.00 0.00 H new ATOM 0 HA SER A 78 -3.553 -5.507 -21.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.273 -6.403 -18.848 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.949 -5.298 -18.535 1.00 0.00 H new ATOM 0 HG SER A 78 -5.706 -4.772 -20.711 1.00 0.00 H new ATOM 1072 N ASN A 79 -1.939 -7.887 -20.612 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.624 -8.415 -20.220 1.00 0.00 C ATOM 1074 C ASN A 79 0.503 -7.371 -20.385 1.00 0.00 C ATOM 1075 O ASN A 79 1.407 -7.313 -19.565 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.328 -9.721 -20.977 1.00 0.00 C ATOM 1077 CG ASN A 79 0.525 -10.685 -20.147 1.00 0.00 C ATOM 1078 OD1 ASN A 79 0.043 -11.718 -19.699 1.00 0.00 O ATOM 1079 ND2 ASN A 79 1.787 -10.392 -19.887 1.00 0.00 N ATOM 0 H ASN A 79 -2.389 -8.397 -21.372 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.658 -8.644 -19.155 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.267 -10.206 -21.244 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.188 -9.491 -21.909 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.350 -11.024 -19.318 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.198 -9.534 -20.255 1.00 0.00 H new ATOM 1086 N LYS A 80 0.415 -6.473 -21.377 1.00 0.00 N ATOM 1087 CA LYS A 80 1.340 -5.330 -21.552 1.00 0.00 C ATOM 1088 C LYS A 80 0.963 -4.072 -20.746 1.00 0.00 C ATOM 1089 O LYS A 80 1.741 -3.122 -20.700 1.00 0.00 O ATOM 1090 CB LYS A 80 1.529 -5.064 -23.064 1.00 0.00 C ATOM 1091 CG LYS A 80 2.844 -5.654 -23.608 1.00 0.00 C ATOM 1092 CD LYS A 80 2.963 -7.178 -23.440 1.00 0.00 C ATOM 1093 CE LYS A 80 4.387 -7.644 -23.776 1.00 0.00 C ATOM 1094 NZ LYS A 80 4.657 -9.000 -23.225 1.00 0.00 N ATOM 0 H LYS A 80 -0.309 -6.516 -22.094 1.00 0.00 H new ATOM 0 HA LYS A 80 2.301 -5.608 -21.120 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.689 -5.491 -23.612 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.515 -3.989 -23.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.930 -5.408 -24.666 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.682 -5.176 -23.100 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.714 -7.458 -22.416 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.246 -7.679 -24.091 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.522 -7.655 -24.857 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.109 -6.935 -23.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.647 -9.259 -23.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.485 -8.999 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.028 -9.691 -23.681 1.00 0.00 H new ATOM 1108 N SER A 81 -0.155 -4.091 -20.016 1.00 0.00 N ATOM 1109 CA SER A 81 -0.267 -3.291 -18.788 1.00 0.00 C ATOM 1110 C SER A 81 0.508 -3.993 -17.663 1.00 0.00 C ATOM 1111 O SER A 81 1.504 -3.455 -17.186 1.00 0.00 O ATOM 1112 CB SER A 81 -1.735 -3.044 -18.411 1.00 0.00 C ATOM 1113 OG SER A 81 -1.803 -2.098 -17.355 1.00 0.00 O ATOM 0 H SER A 81 -0.983 -4.640 -20.246 1.00 0.00 H new ATOM 0 HA SER A 81 0.172 -2.307 -18.955 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.287 -2.678 -19.277 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.205 -3.979 -18.106 1.00 0.00 H new ATOM 0 HG SER A 81 -2.740 -1.940 -17.117 1.00 0.00 H new ATOM 1119 N ILE A 82 0.145 -5.229 -17.282 1.00 0.00 N ATOM 1120 CA ILE A 82 0.715 -5.870 -16.076 1.00 0.00 C ATOM 1121 C ILE A 82 2.234 -6.038 -16.120 1.00 0.00 C ATOM 1122 O ILE A 82 2.886 -5.866 -15.099 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.018 -7.185 -15.723 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -0.176 -7.228 -14.182 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.634 -8.462 -16.288 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.797 -8.496 -13.589 1.00 0.00 C ATOM 0 H ILE A 82 -0.533 -5.803 -17.783 1.00 0.00 H new ATOM 0 HA ILE A 82 0.537 -5.170 -15.259 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.992 -7.178 -16.212 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.809 -7.090 -13.735 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.786 -6.377 -13.879 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.050 -9.332 -15.988 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.666 -8.403 -17.376 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.648 -8.555 -15.900 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.852 -8.401 -12.505 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.800 -8.633 -13.993 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.181 -9.358 -13.847 1.00 0.00 H new ATOM 1138 N ASP A 83 2.794 -6.278 -17.301 1.00 0.00 N ATOM 1139 CA ASP A 83 4.249 -6.307 -17.530 1.00 0.00 C ATOM 1140 C ASP A 83 4.927 -4.959 -17.200 1.00 0.00 C ATOM 1141 O ASP A 83 5.998 -4.962 -16.591 1.00 0.00 O ATOM 1142 CB ASP A 83 4.575 -6.719 -18.980 1.00 0.00 C ATOM 1143 CG ASP A 83 4.407 -8.222 -19.284 1.00 0.00 C ATOM 1144 OD1 ASP A 83 4.686 -9.068 -18.401 1.00 0.00 O ATOM 1145 OD2 ASP A 83 4.071 -8.556 -20.447 1.00 0.00 O ATOM 0 H ASP A 83 2.249 -6.461 -18.143 1.00 0.00 H new ATOM 0 HA ASP A 83 4.652 -7.055 -16.847 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.933 -6.153 -19.656 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.603 -6.432 -19.201 1.00 0.00 H new ATOM 1150 N VAL A 84 4.304 -3.816 -17.535 1.00 0.00 N ATOM 1151 CA VAL A 84 4.786 -2.482 -17.091 1.00 0.00 C ATOM 1152 C VAL A 84 4.576 -2.312 -15.591 1.00 0.00 C ATOM 1153 O VAL A 84 5.461 -1.793 -14.915 1.00 0.00 O ATOM 1154 CB VAL A 84 4.101 -1.287 -17.804 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.532 0.090 -17.261 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.443 -1.326 -19.304 1.00 0.00 C ATOM 0 H VAL A 84 3.464 -3.782 -18.112 1.00 0.00 H new ATOM 0 HA VAL A 84 5.843 -2.464 -17.355 1.00 0.00 H new ATOM 0 HB VAL A 84 3.032 -1.397 -17.620 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.012 0.876 -17.808 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.282 0.158 -16.202 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.608 0.211 -17.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.963 -0.487 -19.809 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.523 -1.257 -19.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.085 -2.261 -19.735 1.00 0.00 H new ATOM 1166 N ILE A 85 3.418 -2.735 -15.069 1.00 0.00 N ATOM 1167 CA ILE A 85 3.081 -2.529 -13.655 1.00 0.00 C ATOM 1168 C ILE A 85 4.066 -3.313 -12.787 1.00 0.00 C ATOM 1169 O ILE A 85 4.794 -2.709 -12.012 1.00 0.00 O ATOM 1170 CB ILE A 85 1.595 -2.867 -13.359 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.516 -2.146 -14.226 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.290 -2.596 -11.872 1.00 0.00 C ATOM 1173 CD1 ILE A 85 0.942 -0.962 -15.107 1.00 0.00 C ATOM 0 H ILE A 85 2.699 -3.222 -15.604 1.00 0.00 H new ATOM 0 HA ILE A 85 3.182 -1.473 -13.406 1.00 0.00 H new ATOM 0 HB ILE A 85 1.511 -3.920 -13.628 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.062 -2.894 -14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.265 -1.792 -13.553 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.246 -2.834 -11.665 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.934 -3.217 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.474 -1.545 -11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.074 -0.576 -15.643 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.361 -0.175 -14.481 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.693 -1.294 -15.824 1.00 0.00 H new ATOM 1185 N ILE A 86 4.172 -4.629 -12.975 1.00 0.00 N ATOM 1186 CA ILE A 86 5.122 -5.500 -12.267 1.00 0.00 C ATOM 1187 C ILE A 86 6.559 -5.057 -12.535 1.00 0.00 C ATOM 1188 O ILE A 86 7.317 -4.895 -11.584 1.00 0.00 O ATOM 1189 CB ILE A 86 4.890 -6.977 -12.672 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.512 -7.469 -12.172 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.003 -7.889 -12.115 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.036 -8.733 -12.898 1.00 0.00 C ATOM 0 H ILE A 86 3.587 -5.135 -13.640 1.00 0.00 H new ATOM 0 HA ILE A 86 4.953 -5.417 -11.193 1.00 0.00 H new ATOM 0 HB ILE A 86 4.913 -7.028 -13.761 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.569 -7.669 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.776 -6.677 -12.310 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.813 -8.919 -12.415 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.967 -7.568 -12.509 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.016 -7.825 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.064 -9.033 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.950 -8.529 -13.965 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.755 -9.537 -12.739 1.00 0.00 H new ATOM 1204 N GLY A 87 6.941 -4.821 -13.795 1.00 0.00 N ATOM 1205 CA GLY A 87 8.324 -4.496 -14.158 1.00 0.00 C ATOM 1206 C GLY A 87 8.809 -3.198 -13.518 1.00 0.00 C ATOM 1207 O GLY A 87 9.920 -3.159 -12.985 1.00 0.00 O ATOM 0 H GLY A 87 6.302 -4.850 -14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.977 -5.313 -13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.401 -4.413 -15.242 1.00 0.00 H new ATOM 1211 N ARG A 88 7.976 -2.149 -13.517 1.00 0.00 N ATOM 1212 CA ARG A 88 8.358 -0.825 -13.017 1.00 0.00 C ATOM 1213 C ARG A 88 8.029 -0.615 -11.524 1.00 0.00 C ATOM 1214 O ARG A 88 8.730 0.150 -10.867 1.00 0.00 O ATOM 1215 CB ARG A 88 7.845 0.259 -13.983 1.00 0.00 C ATOM 1216 CG ARG A 88 8.479 1.640 -13.724 1.00 0.00 C ATOM 1217 CD ARG A 88 8.255 2.627 -14.879 1.00 0.00 C ATOM 1218 NE ARG A 88 6.823 2.888 -15.121 1.00 0.00 N ATOM 1219 CZ ARG A 88 6.094 3.883 -14.626 1.00 0.00 C ATOM 1220 NH1 ARG A 88 6.590 4.802 -13.826 1.00 0.00 N ATOM 1221 NH2 ARG A 88 4.820 3.965 -14.922 1.00 0.00 N ATOM 0 H ARG A 88 7.018 -2.196 -13.863 1.00 0.00 H new ATOM 0 HA ARG A 88 9.445 -0.740 -13.016 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.056 -0.046 -15.008 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.762 0.339 -13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.062 2.060 -12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.550 1.518 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.761 3.566 -14.655 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.708 2.230 -15.787 1.00 0.00 H new ATOM 0 HE ARG A 88 6.340 2.233 -15.736 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.574 4.770 -13.560 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.990 5.547 -13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.392 3.267 -15.530 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.257 4.727 -14.544 1.00 0.00 H new ATOM 1235 N LEU A 89 7.085 -1.360 -10.922 1.00 0.00 N ATOM 1236 CA LEU A 89 7.004 -1.531 -9.463 1.00 0.00 C ATOM 1237 C LEU A 89 8.281 -2.220 -8.967 1.00 0.00 C ATOM 1238 O LEU A 89 8.965 -1.667 -8.109 1.00 0.00 O ATOM 1239 CB LEU A 89 5.712 -2.309 -9.120 1.00 0.00 C ATOM 1240 CG LEU A 89 5.191 -2.157 -7.681 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.773 -2.743 -7.591 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.074 -2.844 -6.630 1.00 0.00 C ATOM 0 H LEU A 89 6.358 -1.860 -11.434 1.00 0.00 H new ATOM 0 HA LEU A 89 6.944 -0.571 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.927 -1.988 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.888 -3.368 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 89 5.201 -1.090 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.400 -2.637 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.114 -2.209 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.798 -3.799 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.644 -2.694 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.130 -3.911 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.076 -2.415 -6.659 1.00 0.00 H new ATOM 1254 N ARG A 90 8.661 -3.361 -9.562 1.00 0.00 N ATOM 1255 CA ARG A 90 9.921 -4.052 -9.246 1.00 0.00 C ATOM 1256 C ARG A 90 11.139 -3.142 -9.417 1.00 0.00 C ATOM 1257 O ARG A 90 11.978 -3.114 -8.524 1.00 0.00 O ATOM 1258 CB ARG A 90 10.081 -5.351 -10.051 1.00 0.00 C ATOM 1259 CG ARG A 90 9.179 -6.467 -9.494 1.00 0.00 C ATOM 1260 CD ARG A 90 9.282 -7.764 -10.305 1.00 0.00 C ATOM 1261 NE ARG A 90 10.603 -8.405 -10.144 1.00 0.00 N ATOM 1262 CZ ARG A 90 11.596 -8.466 -11.028 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.507 -7.935 -12.230 1.00 0.00 N ATOM 1264 NH2 ARG A 90 12.716 -9.072 -10.700 1.00 0.00 N ATOM 0 H ARG A 90 8.104 -3.831 -10.276 1.00 0.00 H new ATOM 0 HA ARG A 90 9.867 -4.324 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.832 -5.167 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.122 -5.673 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.452 -6.667 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.144 -6.126 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.501 -8.455 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.108 -7.549 -11.359 1.00 0.00 H new ATOM 0 HE ARG A 90 10.775 -8.856 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.653 -7.454 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.292 -8.004 -12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.818 -9.490 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.483 -9.124 -11.370 1.00 0.00 H new ATOM 1278 N SER A 91 11.243 -2.344 -10.483 1.00 0.00 N ATOM 1279 CA SER A 91 12.379 -1.415 -10.612 1.00 0.00 C ATOM 1280 C SER A 91 12.374 -0.308 -9.547 1.00 0.00 C ATOM 1281 O SER A 91 13.428 -0.045 -8.960 1.00 0.00 O ATOM 1282 CB SER A 91 12.542 -0.864 -12.035 1.00 0.00 C ATOM 1283 OG SER A 91 11.592 0.142 -12.348 1.00 0.00 O ATOM 0 H SER A 91 10.575 -2.318 -11.254 1.00 0.00 H new ATOM 0 HA SER A 91 13.269 -2.013 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.547 -0.457 -12.149 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.447 -1.682 -12.749 1.00 0.00 H new ATOM 0 HG SER A 91 11.741 0.459 -13.263 1.00 0.00 H new ATOM 1289 N LYS A 92 11.211 0.260 -9.182 1.00 0.00 N ATOM 1290 CA LYS A 92 11.138 1.187 -8.040 1.00 0.00 C ATOM 1291 C LYS A 92 11.614 0.534 -6.725 1.00 0.00 C ATOM 1292 O LYS A 92 12.430 1.114 -6.007 1.00 0.00 O ATOM 1293 CB LYS A 92 9.702 1.732 -7.912 1.00 0.00 C ATOM 1294 CG LYS A 92 9.282 2.673 -9.059 1.00 0.00 C ATOM 1295 CD LYS A 92 9.292 4.159 -8.672 1.00 0.00 C ATOM 1296 CE LYS A 92 10.700 4.770 -8.598 1.00 0.00 C ATOM 1297 NZ LYS A 92 10.650 6.177 -8.110 1.00 0.00 N ATOM 0 H LYS A 92 10.321 0.097 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 92 11.819 2.017 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.008 0.892 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.610 2.266 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.953 2.522 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.281 2.400 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.701 4.718 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.804 4.276 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.324 4.173 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.165 4.740 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.239 6.778 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.668 6.517 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.009 6.219 -7.135 1.00 0.00 H new ATOM 1311 N ILE A 93 11.150 -0.683 -6.405 1.00 0.00 N ATOM 1312 CA ILE A 93 11.474 -1.359 -5.122 1.00 0.00 C ATOM 1313 C ILE A 93 12.839 -2.074 -5.115 1.00 0.00 C ATOM 1314 O ILE A 93 13.343 -2.407 -4.045 1.00 0.00 O ATOM 1315 CB ILE A 93 10.292 -2.223 -4.604 1.00 0.00 C ATOM 1316 CG1 ILE A 93 9.939 -3.515 -5.375 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.028 -1.339 -4.558 1.00 0.00 C ATOM 1318 CD1 ILE A 93 10.995 -4.627 -5.381 1.00 0.00 C ATOM 0 H ILE A 93 10.544 -1.230 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 93 11.605 -0.566 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 93 10.638 -2.578 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.020 -3.922 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.724 -3.245 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.185 -1.928 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.197 -0.497 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.808 -0.967 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.625 -5.477 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.913 -4.254 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.198 -4.941 -4.357 1.00 0.00 H new ATOM 1330 N GLU A 94 13.463 -2.261 -6.281 1.00 0.00 N ATOM 1331 CA GLU A 94 14.860 -2.690 -6.417 1.00 0.00 C ATOM 1332 C GLU A 94 15.818 -1.502 -6.211 1.00 0.00 C ATOM 1333 O GLU A 94 16.835 -1.639 -5.526 1.00 0.00 O ATOM 1334 CB GLU A 94 15.058 -3.335 -7.798 1.00 0.00 C ATOM 1335 CG GLU A 94 16.471 -3.887 -8.013 1.00 0.00 C ATOM 1336 CD GLU A 94 16.572 -4.615 -9.361 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.718 -3.940 -10.409 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.514 -5.867 -9.385 1.00 0.00 O ATOM 0 H GLU A 94 13.001 -2.115 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 94 15.090 -3.427 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.337 -4.144 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.843 -2.597 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.194 -3.072 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.726 -4.572 -7.204 1.00 0.00 H new ATOM 1345 N LYS A 95 15.499 -0.325 -6.769 1.00 0.00 N ATOM 1346 CA LYS A 95 16.315 0.887 -6.606 1.00 0.00 C ATOM 1347 C LYS A 95 16.240 1.470 -5.177 1.00 0.00 C ATOM 1348 O LYS A 95 17.263 1.874 -4.618 1.00 0.00 O ATOM 1349 CB LYS A 95 15.885 1.900 -7.682 1.00 0.00 C ATOM 1350 CG LYS A 95 16.805 3.133 -7.723 1.00 0.00 C ATOM 1351 CD LYS A 95 16.453 4.106 -8.862 1.00 0.00 C ATOM 1352 CE LYS A 95 16.629 3.534 -10.282 1.00 0.00 C ATOM 1353 NZ LYS A 95 18.053 3.256 -10.620 1.00 0.00 N ATOM 0 H LYS A 95 14.669 -0.187 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 95 17.367 0.636 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.888 1.414 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.861 2.220 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.742 3.659 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.838 2.805 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.418 4.425 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.075 4.996 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.053 2.613 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.219 4.238 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.112 2.873 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.602 4.137 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.440 2.563 -9.948 1.00 0.00 H new ATOM 1367 N ASN A 96 15.046 1.506 -4.573 1.00 0.00 N ATOM 1368 CA ASN A 96 14.832 2.017 -3.210 1.00 0.00 C ATOM 1369 C ASN A 96 15.352 1.046 -2.110 1.00 0.00 C ATOM 1370 O ASN A 96 15.427 -0.162 -2.355 1.00 0.00 O ATOM 1371 CB ASN A 96 13.329 2.318 -3.018 1.00 0.00 C ATOM 1372 CG ASN A 96 12.802 3.484 -3.861 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.542 4.257 -4.458 1.00 0.00 O ATOM 1374 ND2 ASN A 96 11.492 3.660 -3.903 1.00 0.00 N ATOM 0 H ASN A 96 14.190 1.178 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 96 15.414 2.932 -3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.758 1.422 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.146 2.535 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.099 4.438 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.875 3.017 -3.407 1.00 0.00 H new ATOM 1381 N PRO A 97 15.661 1.544 -0.888 1.00 0.00 N ATOM 1382 CA PRO A 97 16.001 0.706 0.270 1.00 0.00 C ATOM 1383 C PRO A 97 14.775 -0.003 0.878 1.00 0.00 C ATOM 1384 O PRO A 97 14.925 -1.040 1.521 1.00 0.00 O ATOM 1385 CB PRO A 97 16.654 1.660 1.276 1.00 0.00 C ATOM 1386 CG PRO A 97 15.986 3.000 0.982 1.00 0.00 C ATOM 1387 CD PRO A 97 15.787 2.956 -0.534 1.00 0.00 C ATOM 0 HA PRO A 97 16.667 -0.106 -0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.479 1.341 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.734 1.711 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.039 3.104 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.613 3.839 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.896 3.511 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.631 3.413 -1.051 1.00 0.00 H new ATOM 1395 N LYS A 98 13.560 0.517 0.647 1.00 0.00 N ATOM 1396 CA LYS A 98 12.277 -0.168 0.892 1.00 0.00 C ATOM 1397 C LYS A 98 12.205 -1.526 0.144 1.00 0.00 C ATOM 1398 O LYS A 98 12.621 -1.616 -1.009 1.00 0.00 O ATOM 1399 CB LYS A 98 11.169 0.844 0.512 1.00 0.00 C ATOM 1400 CG LYS A 98 9.746 0.281 0.366 1.00 0.00 C ATOM 1401 CD LYS A 98 9.407 0.003 -1.109 1.00 0.00 C ATOM 1402 CE LYS A 98 8.012 -0.624 -1.286 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.011 -2.107 -1.052 1.00 0.00 N ATOM 0 H LYS A 98 13.437 1.458 0.272 1.00 0.00 H new ATOM 0 HA LYS A 98 12.151 -0.452 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.149 1.628 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.447 1.317 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.655 -0.640 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.028 0.989 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.457 0.935 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.158 -0.665 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.315 -0.151 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.651 -0.419 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.036 -2.433 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.410 -2.590 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.586 -2.327 -0.214 1.00 0.00 H new ATOM 1417 N GLN A 99 11.633 -2.573 0.759 1.00 0.00 N ATOM 1418 CA GLN A 99 11.582 -3.952 0.226 1.00 0.00 C ATOM 1419 C GLN A 99 10.138 -4.505 0.280 1.00 0.00 C ATOM 1420 O GLN A 99 9.284 -3.884 0.921 1.00 0.00 O ATOM 1421 CB GLN A 99 12.542 -4.840 1.051 1.00 0.00 C ATOM 1422 CG GLN A 99 14.022 -4.562 0.733 1.00 0.00 C ATOM 1423 CD GLN A 99 14.959 -5.520 1.475 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.449 -5.240 2.564 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.240 -6.689 0.931 1.00 0.00 N ATOM 0 H GLN A 99 11.179 -2.485 1.668 1.00 0.00 H new ATOM 0 HA GLN A 99 11.895 -3.953 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.364 -4.672 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.322 -5.889 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.185 -4.654 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.264 -3.535 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.842 -6.939 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.855 -7.342 1.416 1.00 0.00 H new ATOM 1434 N PRO A 100 9.823 -5.624 -0.406 1.00 0.00 N ATOM 1435 CA PRO A 100 8.549 -6.332 -0.270 1.00 0.00 C ATOM 1436 C PRO A 100 8.570 -7.319 0.908 1.00 0.00 C ATOM 1437 O PRO A 100 9.629 -7.726 1.388 1.00 0.00 O ATOM 1438 CB PRO A 100 8.364 -7.059 -1.608 1.00 0.00 C ATOM 1439 CG PRO A 100 9.797 -7.424 -1.993 1.00 0.00 C ATOM 1440 CD PRO A 100 10.615 -6.241 -1.472 1.00 0.00 C ATOM 0 HA PRO A 100 7.726 -5.650 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.735 -7.943 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.895 -6.419 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.110 -8.362 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.906 -7.544 -3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.581 -6.574 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.815 -5.526 -2.270 1.00 0.00 H new ATOM 1448 N GLN A 101 7.368 -7.737 1.319 1.00 0.00 N ATOM 1449 CA GLN A 101 7.103 -8.824 2.273 1.00 0.00 C ATOM 1450 C GLN A 101 5.610 -9.193 2.293 1.00 0.00 C ATOM 1451 O GLN A 101 5.284 -10.380 2.325 1.00 0.00 O ATOM 1452 CB GLN A 101 7.648 -8.521 3.688 1.00 0.00 C ATOM 1453 CG GLN A 101 7.163 -7.203 4.319 1.00 0.00 C ATOM 1454 CD GLN A 101 7.732 -6.952 5.722 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.242 -7.832 6.408 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.672 -5.728 6.213 1.00 0.00 N ATOM 0 H GLN A 101 6.509 -7.305 0.979 1.00 0.00 H new ATOM 0 HA GLN A 101 7.653 -9.697 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.371 -9.343 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.737 -8.502 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.441 -6.374 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.074 -7.214 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.253 -4.978 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.045 -5.532 7.142 1.00 0.00 H new ATOM 1465 N TYR A 102 4.696 -8.208 2.196 1.00 0.00 N ATOM 1466 CA TYR A 102 3.240 -8.471 2.135 1.00 0.00 C ATOM 1467 C TYR A 102 2.657 -8.540 0.716 1.00 0.00 C ATOM 1468 O TYR A 102 1.439 -8.586 0.552 1.00 0.00 O ATOM 1469 CB TYR A 102 2.500 -7.458 3.028 1.00 0.00 C ATOM 1470 CG TYR A 102 2.917 -7.483 4.488 1.00 0.00 C ATOM 1471 CD1 TYR A 102 2.608 -8.599 5.289 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.608 -6.391 5.051 1.00 0.00 C ATOM 1473 CE1 TYR A 102 2.990 -8.631 6.644 1.00 0.00 C ATOM 1474 CE2 TYR A 102 3.992 -6.415 6.405 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.686 -7.536 7.207 1.00 0.00 C ATOM 1476 OH TYR A 102 4.059 -7.554 8.519 1.00 0.00 O ATOM 0 H TYR A 102 4.939 -7.218 2.158 1.00 0.00 H new ATOM 0 HA TYR A 102 3.083 -9.478 2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.666 -6.456 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.429 -7.652 2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.075 -9.435 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.844 -5.532 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.752 -9.491 7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.521 -5.575 6.831 1.00 0.00 H new ATOM 0 HH TYR A 102 4.528 -6.722 8.737 1.00 0.00 H new ATOM 1486 N ILE A 103 3.504 -8.585 -0.317 1.00 0.00 N ATOM 1487 CA ILE A 103 3.097 -8.911 -1.692 1.00 0.00 C ATOM 1488 C ILE A 103 4.020 -9.987 -2.298 1.00 0.00 C ATOM 1489 O ILE A 103 5.240 -9.943 -2.129 1.00 0.00 O ATOM 1490 CB ILE A 103 2.992 -7.617 -2.537 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.059 -7.859 -3.743 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.366 -7.058 -2.953 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.835 -6.634 -4.641 1.00 0.00 C ATOM 0 H ILE A 103 4.502 -8.395 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 103 2.101 -9.354 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 103 2.553 -6.839 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.473 -8.665 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.093 -8.202 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.227 -6.152 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.949 -6.825 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.896 -7.801 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.167 -6.901 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.388 -5.830 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.790 -6.300 -5.046 1.00 0.00 H new ATOM 1505 N ILE A 104 3.428 -10.964 -2.987 1.00 0.00 N ATOM 1506 CA ILE A 104 4.124 -12.081 -3.675 1.00 0.00 C ATOM 1507 C ILE A 104 3.603 -12.307 -5.104 1.00 0.00 C ATOM 1508 O ILE A 104 2.484 -11.918 -5.413 1.00 0.00 O ATOM 1509 CB ILE A 104 4.004 -13.347 -2.791 1.00 0.00 C ATOM 1510 CG1 ILE A 104 5.082 -14.400 -3.139 1.00 0.00 C ATOM 1511 CG2 ILE A 104 2.587 -13.944 -2.803 1.00 0.00 C ATOM 1512 CD1 ILE A 104 5.222 -15.511 -2.091 1.00 0.00 C ATOM 0 H ILE A 104 2.415 -11.012 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 104 5.177 -11.828 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 104 4.191 -13.026 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.840 -14.850 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.043 -13.898 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.560 -14.829 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.878 -13.206 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.317 -14.221 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.996 -16.211 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.495 -15.073 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.274 -16.039 -1.992 1.00 0.00 H new ATOM 1524 N SER A 105 4.363 -12.945 -5.994 1.00 0.00 N ATOM 1525 CA SER A 105 3.909 -13.268 -7.351 1.00 0.00 C ATOM 1526 C SER A 105 2.982 -14.499 -7.388 1.00 0.00 C ATOM 1527 O SER A 105 3.160 -15.466 -6.642 1.00 0.00 O ATOM 1528 CB SER A 105 5.106 -13.505 -8.279 1.00 0.00 C ATOM 1529 OG SER A 105 4.665 -13.637 -9.626 1.00 0.00 O ATOM 0 H SER A 105 5.314 -13.254 -5.796 1.00 0.00 H new ATOM 0 HA SER A 105 3.336 -12.408 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.808 -12.675 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.640 -14.405 -7.974 1.00 0.00 H new ATOM 0 HG SER A 105 4.445 -12.753 -9.987 1.00 0.00 H new ATOM 1535 N VAL A 106 2.028 -14.475 -8.320 1.00 0.00 N ATOM 1536 CA VAL A 106 1.182 -15.605 -8.750 1.00 0.00 C ATOM 1537 C VAL A 106 1.392 -15.805 -10.257 1.00 0.00 C ATOM 1538 O VAL A 106 0.656 -15.267 -11.091 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.313 -15.399 -8.391 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -1.147 -16.642 -8.752 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.499 -15.112 -6.894 1.00 0.00 C ATOM 0 H VAL A 106 1.807 -13.619 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 106 1.479 -16.505 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.656 -14.542 -8.970 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.191 -16.469 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.069 -16.834 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.772 -17.504 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.559 -14.973 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.118 -15.951 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.047 -14.207 -6.626 1.00 0.00 H new ATOM 1601 N GLY A 110 -0.972 -12.781 -11.845 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.239 -11.759 -10.835 1.00 0.00 C ATOM 1603 C GLY A 110 -0.181 -11.715 -9.739 1.00 0.00 C ATOM 1604 O GLY A 110 0.784 -12.479 -9.759 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.294 -10.784 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.214 -11.947 -10.384 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.367 -10.831 -8.763 1.00 0.00 N ATOM 1609 CA TYR A 111 0.378 -10.841 -7.488 1.00 0.00 C ATOM 1610 C TYR A 111 -0.589 -10.909 -6.298 1.00 0.00 C ATOM 1611 O TYR A 111 -1.630 -10.264 -6.311 1.00 0.00 O ATOM 1612 CB TYR A 111 1.283 -9.603 -7.359 1.00 0.00 C ATOM 1613 CG TYR A 111 2.680 -9.721 -7.957 1.00 0.00 C ATOM 1614 CD1 TYR A 111 2.870 -10.054 -9.313 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.812 -9.530 -7.135 1.00 0.00 C ATOM 1616 CE1 TYR A 111 4.167 -10.251 -9.826 1.00 0.00 C ATOM 1617 CE2 TYR A 111 5.112 -9.692 -7.648 1.00 0.00 C ATOM 1618 CZ TYR A 111 5.295 -10.064 -8.997 1.00 0.00 C ATOM 1619 OH TYR A 111 6.552 -10.262 -9.484 1.00 0.00 O ATOM 0 H TYR A 111 -1.047 -10.073 -8.827 1.00 0.00 H new ATOM 0 HA TYR A 111 1.011 -11.729 -7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.779 -8.760 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.383 -9.362 -6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.015 -10.159 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.678 -9.256 -6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.299 -10.546 -10.856 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.969 -9.532 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 111 7.208 -10.087 -8.777 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.256 -11.668 -5.253 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.109 -11.830 -4.069 1.00 0.00 C ATOM 1631 C LYS A 112 -0.666 -10.868 -2.963 1.00 0.00 C ATOM 1632 O LYS A 112 0.520 -10.796 -2.637 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.141 -13.313 -3.643 1.00 0.00 C ATOM 1634 CG LYS A 112 -2.176 -13.661 -2.550 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.686 -13.540 -1.093 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.624 -14.580 -0.685 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.182 -15.958 -0.559 1.00 0.00 N ATOM 0 H LYS A 112 0.618 -12.192 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.139 -11.560 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.346 -13.923 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.150 -13.593 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.041 -13.011 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.518 -14.683 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.274 -12.542 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.543 -13.634 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.177 -14.584 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.179 -14.285 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.425 -16.615 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.928 -15.966 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.583 -16.255 -1.472 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.622 -10.155 -2.373 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.447 -9.237 -1.239 1.00 0.00 C ATOM 1653 C LEU A 113 -2.454 -9.643 -0.143 1.00 0.00 C ATOM 1654 O LEU A 113 -3.450 -10.304 -0.435 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.644 -7.793 -1.774 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.809 -6.663 -1.126 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -1.005 -5.369 -1.927 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.157 -6.366 0.338 1.00 0.00 C ATOM 0 H LEU A 113 -2.592 -10.201 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.455 -9.284 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.427 -7.799 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.698 -7.536 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 113 0.222 -7.016 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.419 -4.569 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.676 -5.524 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.060 -5.094 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.521 -5.561 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.202 -6.065 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.995 -7.261 0.939 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.229 -9.253 1.109 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.180 -9.467 2.210 1.00 0.00 C ATOM 1672 C GLU A 114 -3.036 -8.378 3.293 1.00 0.00 C ATOM 1673 O GLU A 114 -1.958 -7.805 3.481 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.982 -10.880 2.793 1.00 0.00 C ATOM 1675 CG GLU A 114 -4.142 -11.348 3.678 1.00 0.00 C ATOM 1676 CD GLU A 114 -3.961 -12.821 4.077 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.240 -13.106 5.063 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -4.537 -13.710 3.406 1.00 0.00 O ATOM 0 H GLU A 114 -1.375 -8.775 1.396 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.196 -9.391 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.853 -11.587 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.061 -10.897 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.196 -10.728 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.085 -11.223 3.146 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.144 -8.090 3.985 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.260 -7.101 5.069 1.00 0.00 C ATOM 1687 C TYR A 115 -3.547 -7.517 6.378 1.00 0.00 C ATOM 1688 O TYR A 115 -3.143 -6.607 7.139 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.749 -6.790 5.305 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.645 -8.002 5.511 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.767 -8.588 6.786 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.347 -8.553 4.418 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.577 -9.727 6.970 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.155 -9.692 4.596 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.271 -10.285 5.872 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.053 -11.389 6.036 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.393 -8.730 6.662 1.00 0.00 O ATOM 0 H TYR A 115 -5.029 -8.562 3.797 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.738 -6.199 4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.834 -6.144 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.124 -6.223 4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.238 -8.163 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.264 -8.099 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.667 -10.173 7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.687 -10.113 3.755 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.456 -11.635 5.177 1.00 0.00 H new