USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1007 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 82 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 1.2: A 86 SER OG : rot 78:sc= 1.29 USER MOD Set 2.1: A 45 TYR OH : rot -15:sc= 1.29 USER MOD Set 2.2: A 57 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 4:sc= 0.327 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 12 HIS : no HD1:sc= -0.966! C(o=-0.97!,f=-7.8!) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0232) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.349 X(o=0.35,f=-0.059) USER MOD Single : A 20 GLN : amide:sc= 0.597 K(o=0.6,f=-4.4!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 0.25 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= 0.807 (180deg=0.0148) USER MOD Single : A 27 MET CE :methyl -148:sc= -0.272 (180deg=-1.04) USER MOD Single : A 28 LYS NZ :NH3+ -114:sc= 0.727 (180deg=-0.00338) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 1.08 (180deg=-0.0714) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.171 (180deg=-0.685) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.735 (180deg=0.305!) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.22) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 2.39 (180deg=2) USER MOD Single : A 59 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.25) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.34) USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.23) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0559) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -99:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0716) USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= -0.0276 (180deg=-0.284) USER MOD Single : A 102 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-3.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= -0.189 (180deg=-0.208) USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= 0.131 (180deg=-2.11!) USER MOD Single : A 111 GLN : amide:sc= 0.609 K(o=0.61,f=-0.04) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.05) USER MOD Single : A 122 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.295) USER MOD Single : A 124 TYR OH : rot 66:sc= 0.566 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -2.883 4.711 -10.173 1.00 1.08 N ATOM 106 CA PHE A 3 -2.785 4.233 -8.792 1.00 0.89 C ATOM 107 C PHE A 3 -2.110 5.288 -7.929 1.00 0.90 C ATOM 108 O PHE A 3 -1.112 5.019 -7.258 1.00 1.22 O ATOM 109 CB PHE A 3 -2.025 2.901 -8.683 1.00 0.94 C ATOM 110 CG PHE A 3 -2.703 1.761 -9.385 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.997 1.394 -9.051 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.045 1.051 -10.375 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.621 0.345 -9.695 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.664 0.001 -11.022 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.955 -0.352 -10.681 1.00 0.96 C ATOM 0 HA PHE A 3 -3.800 4.054 -8.437 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.025 3.028 -9.098 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.904 2.647 -7.630 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.523 1.935 -8.278 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.035 1.322 -10.644 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.630 0.070 -9.427 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.140 -0.544 -11.793 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.442 -1.173 -11.186 1.00 0.96 H new ATOM 125 N THR A 4 -2.657 6.495 -7.953 1.00 0.74 N ATOM 126 CA THR A 4 -2.123 7.603 -7.190 1.00 0.76 C ATOM 127 C THR A 4 -2.628 7.551 -5.758 1.00 0.71 C ATOM 128 O THR A 4 -3.567 6.813 -5.446 1.00 0.76 O ATOM 129 CB THR A 4 -2.515 8.949 -7.830 1.00 0.77 C ATOM 130 OG1 THR A 4 -3.926 8.970 -8.099 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.743 9.181 -9.120 1.00 0.96 C ATOM 0 H THR A 4 -3.483 6.729 -8.503 1.00 0.74 H new ATOM 0 HA THR A 4 -1.036 7.519 -7.190 1.00 0.76 H new ATOM 0 HB THR A 4 -2.266 9.747 -7.130 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.169 9.829 -8.504 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.037 10.137 -9.553 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.674 9.192 -8.907 1.00 0.96 H new ATOM 0 HG23 THR A 4 -1.964 8.380 -9.825 1.00 0.96 H new ATOM 139 N LEU A 5 -2.013 8.330 -4.887 1.00 0.74 N ATOM 140 CA LEU A 5 -2.391 8.343 -3.487 1.00 0.77 C ATOM 141 C LEU A 5 -3.721 9.047 -3.272 1.00 0.67 C ATOM 142 O LEU A 5 -4.476 8.676 -2.378 1.00 0.73 O ATOM 143 CB LEU A 5 -1.314 9.008 -2.629 1.00 0.91 C ATOM 144 CG LEU A 5 -0.074 8.154 -2.341 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.790 7.993 -3.584 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.728 8.771 -1.209 1.00 1.67 C ATOM 0 H LEU A 5 -1.249 8.962 -5.125 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.496 7.303 -3.179 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.994 9.924 -3.125 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.761 9.299 -1.678 1.00 0.91 H new ATOM 0 HG LEU A 5 -0.406 7.160 -2.041 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.661 7.382 -3.345 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.211 7.508 -4.369 1.00 1.67 H new ATOM 0 HD13 LEU A 5 1.118 8.974 -3.929 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.607 8.159 -1.010 1.00 1.67 H new ATOM 0 HD22 LEU A 5 1.042 9.776 -1.491 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.111 8.822 -0.312 1.00 1.67 H new ATOM 158 N GLU A 6 -4.033 10.020 -4.124 1.00 0.60 N ATOM 159 CA GLU A 6 -5.382 10.574 -4.185 1.00 0.58 C ATOM 160 C GLU A 6 -6.318 9.436 -4.553 1.00 0.59 C ATOM 161 O GLU A 6 -7.338 9.264 -3.883 1.00 0.61 O ATOM 162 CB GLU A 6 -5.471 11.683 -5.226 1.00 0.62 C ATOM 163 CG GLU A 6 -4.330 12.677 -5.145 1.00 0.87 C ATOM 164 CD GLU A 6 -3.158 12.304 -6.039 1.00 1.35 C ATOM 165 OE1 GLU A 6 -2.374 11.410 -5.661 1.00 1.80 O ATOM 166 OE2 GLU A 6 -3.016 12.913 -7.122 1.00 1.68 O ATOM 0 H GLU A 6 -3.373 10.439 -4.779 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.653 11.010 -3.224 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.485 11.237 -6.221 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.415 12.214 -5.101 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.695 13.665 -5.425 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.986 12.745 -4.113 1.00 0.87 H new ATOM 173 N SER A 7 -6.022 8.666 -5.590 1.00 0.59 N ATOM 174 CA SER A 7 -6.899 7.581 -6.016 1.00 0.63 C ATOM 175 C SER A 7 -7.221 6.608 -4.872 1.00 0.62 C ATOM 176 O SER A 7 -8.222 5.893 -4.931 1.00 0.78 O ATOM 177 CB SER A 7 -6.266 6.825 -7.192 1.00 0.67 C ATOM 178 OG SER A 7 -7.168 5.888 -7.761 1.00 1.14 O ATOM 0 H SER A 7 -5.179 8.772 -6.154 1.00 0.59 H new ATOM 0 HA SER A 7 -7.841 8.029 -6.333 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.952 7.537 -7.955 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.370 6.307 -6.851 1.00 0.67 H new ATOM 0 HG SER A 7 -6.732 5.426 -8.508 1.00 1.14 H new ATOM 184 N SER A 8 -6.400 6.586 -3.823 1.00 0.53 N ATOM 185 CA SER A 8 -6.605 5.654 -2.727 1.00 0.52 C ATOM 186 C SER A 8 -7.307 6.241 -1.495 1.00 0.48 C ATOM 187 O SER A 8 -7.784 5.489 -0.652 1.00 0.48 O ATOM 188 CB SER A 8 -5.292 4.998 -2.319 1.00 0.57 C ATOM 189 OG SER A 8 -4.293 5.963 -2.035 1.00 1.02 O ATOM 0 H SER A 8 -5.593 7.200 -3.713 1.00 0.53 H new ATOM 0 HA SER A 8 -7.292 4.907 -3.125 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.454 4.372 -1.441 1.00 0.57 H new ATOM 0 HB3 SER A 8 -4.948 4.342 -3.119 1.00 0.57 H new ATOM 0 HG SER A 8 -4.678 6.862 -2.102 1.00 1.02 H new ATOM 195 N LEU A 9 -7.315 7.572 -1.355 1.00 0.47 N ATOM 196 CA LEU A 9 -7.604 8.216 -0.068 1.00 0.46 C ATOM 197 C LEU A 9 -8.927 7.854 0.603 1.00 0.46 C ATOM 198 O LEU A 9 -9.059 7.888 1.824 1.00 0.42 O ATOM 199 CB LEU A 9 -7.487 9.716 -0.212 1.00 0.49 C ATOM 200 CG LEU A 9 -6.093 10.189 -0.576 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.141 11.634 -0.986 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.124 9.966 0.580 1.00 0.78 C ATOM 0 H LEU A 9 -7.125 8.224 -2.116 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.851 7.813 0.609 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.186 10.054 -0.977 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.787 10.186 0.725 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.726 9.604 -1.419 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.138 11.972 -1.247 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.798 11.746 -1.849 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.522 12.234 -0.160 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.131 10.313 0.295 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.465 10.522 1.453 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.082 8.904 0.820 1.00 0.78 H new ATOM 214 N ASP A 10 -9.908 7.539 -0.231 1.00 0.51 N ATOM 215 CA ASP A 10 -11.211 7.095 0.261 1.00 0.53 C ATOM 216 C ASP A 10 -11.368 5.596 0.102 1.00 0.54 C ATOM 217 O ASP A 10 -12.408 5.025 0.444 1.00 0.57 O ATOM 218 CB ASP A 10 -12.341 7.814 -0.476 1.00 0.57 C ATOM 219 CG ASP A 10 -12.429 9.283 -0.117 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.796 9.601 1.035 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.135 10.135 -0.983 1.00 1.32 O ATOM 0 H ASP A 10 -9.830 7.581 -1.247 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.267 7.342 1.321 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.189 7.715 -1.551 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.289 7.329 -0.242 1.00 0.57 H new ATOM 226 N THR A 11 -10.334 4.954 -0.403 1.00 0.54 N ATOM 227 CA THR A 11 -10.366 3.524 -0.607 1.00 0.56 C ATOM 228 C THR A 11 -9.218 2.818 0.113 1.00 0.53 C ATOM 229 O THR A 11 -9.281 2.567 1.317 1.00 0.53 O ATOM 230 CB THR A 11 -10.349 3.161 -2.109 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.282 3.855 -2.773 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.675 3.507 -2.770 1.00 0.69 C ATOM 0 H THR A 11 -9.461 5.403 -0.679 1.00 0.54 H new ATOM 0 HA THR A 11 -11.304 3.174 -0.177 1.00 0.56 H new ATOM 0 HB THR A 11 -10.191 2.086 -2.194 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.279 3.617 -3.724 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.635 3.241 -3.826 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.479 2.952 -2.286 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.862 4.576 -2.672 1.00 0.69 H new ATOM 240 N HIS A 12 -8.166 2.511 -0.643 1.00 0.51 N ATOM 241 CA HIS A 12 -7.021 1.776 -0.104 1.00 0.49 C ATOM 242 C HIS A 12 -6.401 2.502 1.094 1.00 0.43 C ATOM 243 O HIS A 12 -6.038 1.872 2.083 1.00 0.43 O ATOM 244 CB HIS A 12 -5.951 1.539 -1.178 1.00 0.49 C ATOM 245 CG HIS A 12 -6.482 0.986 -2.462 1.00 0.57 C ATOM 246 ND1 HIS A 12 -6.024 1.384 -3.701 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.433 0.055 -2.700 1.00 0.90 C ATOM 248 CE1 HIS A 12 -6.671 0.724 -4.640 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.528 -0.088 -4.058 1.00 0.66 N ATOM 0 H HIS A 12 -8.082 2.759 -1.629 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.397 0.810 0.233 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.444 2.482 -1.384 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.201 0.853 -0.783 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -8.010 -0.476 -1.958 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -6.523 0.831 -5.705 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.162 -0.723 -4.542 1.00 0.66 H new ATOM 258 N LEU A 13 -6.279 3.816 1.003 1.00 0.40 N ATOM 259 CA LEU A 13 -5.522 4.564 1.996 1.00 0.36 C ATOM 260 C LEU A 13 -6.411 5.406 2.912 1.00 0.34 C ATOM 261 O LEU A 13 -5.986 6.406 3.484 1.00 0.32 O ATOM 262 CB LEU A 13 -4.478 5.455 1.313 1.00 0.34 C ATOM 263 CG LEU A 13 -3.103 4.801 1.069 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.541 4.226 2.359 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.183 3.713 0.010 1.00 0.84 C ATOM 0 H LEU A 13 -6.689 4.383 0.261 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.021 3.828 2.625 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -4.879 5.785 0.355 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.333 6.347 1.922 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.433 5.581 0.707 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.571 3.770 2.162 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.425 5.024 3.093 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.224 3.471 2.749 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.196 3.274 -0.136 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -3.879 2.940 0.335 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.531 4.144 -0.929 1.00 0.84 H new ATOM 277 N LYS A 14 -7.663 4.966 3.044 1.00 0.38 N ATOM 278 CA LYS A 14 -8.663 5.705 3.803 1.00 0.38 C ATOM 279 C LYS A 14 -8.457 5.567 5.307 1.00 0.35 C ATOM 280 O LYS A 14 -9.067 6.280 6.101 1.00 0.36 O ATOM 281 CB LYS A 14 -10.076 5.261 3.418 1.00 0.45 C ATOM 282 CG LYS A 14 -10.451 3.857 3.869 1.00 0.64 C ATOM 283 CD LYS A 14 -11.870 3.516 3.438 1.00 0.67 C ATOM 284 CE LYS A 14 -12.277 2.118 3.866 1.00 1.26 C ATOM 285 NZ LYS A 14 -12.426 2.002 5.341 1.00 1.69 N ATOM 0 H LYS A 14 -8.006 4.098 2.632 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.542 6.758 3.549 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.791 5.966 3.842 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.176 5.318 2.334 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.753 3.135 3.445 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.367 3.783 4.953 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.562 4.241 3.865 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.949 3.600 2.354 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -13.219 1.853 3.386 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.531 1.403 3.521 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -12.786 1.056 5.580 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -11.502 2.146 5.796 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.095 2.723 5.680 1.00 1.69 H new ATOM 299 N TRP A 15 -7.609 4.627 5.690 1.00 0.34 N ATOM 300 CA TRP A 15 -7.267 4.431 7.092 1.00 0.33 C ATOM 301 C TRP A 15 -6.274 5.495 7.551 1.00 0.29 C ATOM 302 O TRP A 15 -5.985 5.614 8.742 1.00 0.29 O ATOM 303 CB TRP A 15 -6.671 3.038 7.302 1.00 0.35 C ATOM 304 CG TRP A 15 -5.481 2.774 6.436 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.501 2.343 5.145 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.102 2.924 6.790 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.220 2.219 4.670 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.342 2.565 5.662 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.433 3.325 7.952 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.950 2.597 5.661 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.051 3.355 7.950 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.323 2.992 6.811 1.00 0.30 C ATOM 0 H TRP A 15 -7.143 3.985 5.049 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.177 4.520 7.685 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.384 2.926 8.348 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.435 2.288 7.098 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.395 2.130 4.578 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.963 1.918 3.730 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.987 3.606 8.835 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.385 2.320 4.783 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.525 3.663 8.841 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.244 3.024 6.841 1.00 0.30 H new ATOM 323 N LEU A 16 -5.768 6.280 6.606 1.00 0.28 N ATOM 324 CA LEU A 16 -4.912 7.406 6.935 1.00 0.26 C ATOM 325 C LEU A 16 -5.771 8.539 7.479 1.00 0.27 C ATOM 326 O LEU A 16 -6.936 8.695 7.115 1.00 0.31 O ATOM 327 CB LEU A 16 -4.152 7.907 5.701 1.00 0.25 C ATOM 328 CG LEU A 16 -3.192 6.915 5.037 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.659 7.503 3.743 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.033 6.563 5.958 1.00 0.30 C ATOM 0 H LEU A 16 -5.938 6.155 5.608 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.185 7.080 7.679 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.882 8.224 4.957 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.583 8.792 5.987 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.745 6.000 4.825 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.977 6.793 3.275 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.489 7.708 3.067 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.128 8.430 3.956 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.371 5.857 5.456 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.478 7.468 6.206 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.419 6.112 6.872 1.00 0.30 H new ATOM 342 N SER A 17 -5.160 9.318 8.345 1.00 0.27 N ATOM 343 CA SER A 17 -5.828 10.480 8.900 1.00 0.30 C ATOM 344 C SER A 17 -5.655 11.670 7.963 1.00 0.33 C ATOM 345 O SER A 17 -4.747 11.657 7.132 1.00 0.34 O ATOM 346 CB SER A 17 -5.271 10.791 10.287 1.00 0.31 C ATOM 347 OG SER A 17 -5.345 9.646 11.122 1.00 1.24 O ATOM 0 H SER A 17 -4.208 9.171 8.680 1.00 0.27 H new ATOM 0 HA SER A 17 -6.893 10.272 9.001 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.235 11.121 10.204 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.832 11.611 10.735 1.00 0.31 H new ATOM 0 HG SER A 17 -4.982 9.862 12.006 1.00 1.24 H new ATOM 353 N GLN A 18 -6.511 12.679 8.076 1.00 0.36 N ATOM 354 CA GLN A 18 -6.466 13.818 7.160 1.00 0.41 C ATOM 355 C GLN A 18 -5.075 14.441 7.154 1.00 0.41 C ATOM 356 O GLN A 18 -4.523 14.721 6.091 1.00 0.42 O ATOM 357 CB GLN A 18 -7.525 14.862 7.531 1.00 0.47 C ATOM 358 CG GLN A 18 -7.543 16.073 6.613 1.00 1.19 C ATOM 359 CD GLN A 18 -7.850 15.718 5.172 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.010 15.687 4.759 1.00 1.90 O ATOM 361 NE2 GLN A 18 -6.812 15.461 4.390 1.00 1.91 N ATOM 0 H GLN A 18 -7.241 12.734 8.787 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.688 13.457 6.156 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.508 14.391 7.514 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.349 15.196 8.554 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.287 16.784 6.973 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.575 16.573 6.660 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -5.866 15.497 4.770 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -6.959 15.227 3.408 1.00 1.91 H new ATOM 370 N GLU A 19 -4.522 14.642 8.341 1.00 0.41 N ATOM 371 CA GLU A 19 -3.195 15.191 8.492 1.00 0.42 C ATOM 372 C GLU A 19 -2.162 14.348 7.740 1.00 0.40 C ATOM 373 O GLU A 19 -1.221 14.889 7.162 1.00 0.42 O ATOM 374 CB GLU A 19 -2.870 15.266 9.976 1.00 0.41 C ATOM 375 CG GLU A 19 -2.987 13.931 10.694 1.00 1.18 C ATOM 376 CD GLU A 19 -2.776 14.050 12.184 1.00 1.79 C ATOM 377 OE1 GLU A 19 -1.613 13.985 12.630 1.00 2.01 O ATOM 378 OE2 GLU A 19 -3.773 14.204 12.920 1.00 2.49 O ATOM 0 H GLU A 19 -4.986 14.427 9.223 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.160 16.192 8.061 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -1.856 15.647 10.098 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -3.540 15.984 10.450 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.972 13.506 10.504 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -2.255 13.236 10.282 1.00 1.18 H new ATOM 385 N GLN A 20 -2.340 13.030 7.739 1.00 0.37 N ATOM 386 CA GLN A 20 -1.428 12.139 7.030 1.00 0.36 C ATOM 387 C GLN A 20 -1.676 12.236 5.532 1.00 0.38 C ATOM 388 O GLN A 20 -0.731 12.274 4.750 1.00 0.41 O ATOM 389 CB GLN A 20 -1.602 10.697 7.506 1.00 0.33 C ATOM 390 CG GLN A 20 -1.353 10.517 8.993 1.00 0.37 C ATOM 391 CD GLN A 20 -1.614 9.100 9.459 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.453 8.397 8.896 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.912 8.679 10.498 1.00 1.04 N ATOM 0 H GLN A 20 -3.105 12.557 8.220 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.403 12.444 7.243 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.613 10.365 7.272 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -0.919 10.054 6.951 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.322 10.786 9.220 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -1.992 11.202 9.550 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.227 9.296 10.934 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.056 7.738 10.863 1.00 1.04 H new ATOM 402 N LYS A 21 -2.940 12.273 5.133 1.00 0.38 N ATOM 403 CA LYS A 21 -3.287 12.427 3.724 1.00 0.42 C ATOM 404 C LYS A 21 -2.704 13.724 3.186 1.00 0.42 C ATOM 405 O LYS A 21 -2.049 13.742 2.154 1.00 0.43 O ATOM 406 CB LYS A 21 -4.803 12.437 3.536 1.00 0.47 C ATOM 407 CG LYS A 21 -5.496 11.162 3.984 1.00 0.56 C ATOM 408 CD LYS A 21 -6.991 11.244 3.737 1.00 0.54 C ATOM 409 CE LYS A 21 -7.699 9.963 4.142 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.169 10.075 3.979 1.00 0.95 N ATOM 0 H LYS A 21 -3.740 12.199 5.761 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.871 11.582 3.176 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.221 13.278 4.090 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.026 12.607 2.483 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.081 10.309 3.447 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.307 10.994 5.044 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.407 12.082 4.297 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.175 11.443 2.681 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.328 9.135 3.538 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.464 9.730 5.181 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.637 9.847 4.880 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.414 11.046 3.698 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.488 9.411 3.245 1.00 0.95 H new ATOM 424 N ASP A 22 -2.934 14.799 3.925 1.00 0.44 N ATOM 425 CA ASP A 22 -2.429 16.118 3.568 1.00 0.46 C ATOM 426 C ASP A 22 -0.907 16.151 3.632 1.00 0.46 C ATOM 427 O ASP A 22 -0.280 16.868 2.852 1.00 0.48 O ATOM 428 CB ASP A 22 -2.991 17.164 4.538 1.00 0.49 C ATOM 429 CG ASP A 22 -2.567 18.577 4.186 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.941 19.063 3.104 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.867 19.216 5.000 1.00 0.64 O ATOM 0 H ASP A 22 -3.476 14.782 4.789 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.745 16.341 2.549 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.079 17.105 4.538 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.659 16.931 5.550 1.00 0.49 H new ATOM 436 N GLU A 23 -0.305 15.373 4.516 1.00 0.44 N ATOM 437 CA GLU A 23 1.135 15.192 4.503 1.00 0.45 C ATOM 438 C GLU A 23 1.596 14.545 3.202 1.00 0.42 C ATOM 439 O GLU A 23 2.453 15.085 2.507 1.00 0.44 O ATOM 440 CB GLU A 23 1.580 14.342 5.684 1.00 0.47 C ATOM 441 CG GLU A 23 2.733 14.974 6.407 1.00 0.71 C ATOM 442 CD GLU A 23 3.343 14.096 7.476 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.758 13.984 8.573 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.431 13.538 7.238 1.00 1.40 O ATOM 0 H GLU A 23 -0.791 14.858 5.250 1.00 0.44 H new ATOM 0 HA GLU A 23 1.592 16.179 4.582 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.746 14.207 6.373 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.867 13.351 5.334 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.504 15.235 5.682 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.396 15.905 6.864 1.00 0.71 H new ATOM 451 N LEU A 24 1.032 13.396 2.873 1.00 0.40 N ATOM 452 CA LEU A 24 1.407 12.655 1.686 1.00 0.39 C ATOM 453 C LEU A 24 1.062 13.416 0.405 1.00 0.39 C ATOM 454 O LEU A 24 1.818 13.373 -0.563 1.00 0.41 O ATOM 455 CB LEU A 24 0.716 11.294 1.716 1.00 0.38 C ATOM 456 CG LEU A 24 1.436 10.223 2.540 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.796 10.709 3.930 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.590 8.968 2.625 1.00 1.33 C ATOM 0 H LEU A 24 0.299 12.951 3.425 1.00 0.40 H new ATOM 0 HA LEU A 24 2.489 12.519 1.684 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.290 11.423 2.114 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.610 10.934 0.693 1.00 0.38 H new ATOM 0 HG LEU A 24 2.370 9.996 2.026 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.304 9.913 4.474 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.455 11.574 3.854 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.888 10.990 4.464 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.114 8.215 3.214 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.362 9.203 3.101 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.409 8.583 1.622 1.00 1.33 H new ATOM 470 N LEU A 25 -0.073 14.105 0.397 1.00 0.40 N ATOM 471 CA LEU A 25 -0.445 14.939 -0.738 1.00 0.43 C ATOM 472 C LEU A 25 0.561 16.066 -0.912 1.00 0.46 C ATOM 473 O LEU A 25 0.914 16.431 -2.033 1.00 0.48 O ATOM 474 CB LEU A 25 -1.854 15.506 -0.557 1.00 0.45 C ATOM 475 CG LEU A 25 -2.985 14.479 -0.633 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.334 15.152 -0.432 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.944 13.745 -1.966 1.00 1.06 C ATOM 0 H LEU A 25 -0.749 14.103 1.161 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.440 14.321 -1.636 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.905 16.008 0.409 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.023 16.266 -1.320 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.846 13.751 0.166 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.126 14.405 -0.490 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.359 15.632 0.546 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.486 15.902 -1.208 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.755 13.017 -2.006 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.059 14.461 -2.779 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.989 13.230 -2.069 1.00 1.06 H new ATOM 489 N LYS A 26 1.025 16.601 0.213 1.00 0.47 N ATOM 490 CA LYS A 26 2.032 17.654 0.219 1.00 0.51 C ATOM 491 C LYS A 26 3.335 17.112 -0.337 1.00 0.49 C ATOM 492 O LYS A 26 3.975 17.728 -1.185 1.00 0.51 O ATOM 493 CB LYS A 26 2.271 18.148 1.648 1.00 0.56 C ATOM 494 CG LYS A 26 2.601 19.627 1.742 1.00 0.93 C ATOM 495 CD LYS A 26 1.350 20.483 1.623 1.00 1.62 C ATOM 496 CE LYS A 26 0.424 20.286 2.818 1.00 2.50 C ATOM 497 NZ LYS A 26 -0.847 21.035 2.666 1.00 3.24 N ATOM 0 H LYS A 26 0.714 16.318 1.142 1.00 0.47 H new ATOM 0 HA LYS A 26 1.678 18.481 -0.396 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.382 17.946 2.245 1.00 0.56 H new ATOM 0 HB3 LYS A 26 3.087 17.575 2.088 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.095 19.832 2.692 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.304 19.895 0.953 1.00 0.93 H new ATOM 0 HD2 LYS A 26 1.632 21.533 1.549 1.00 1.62 H new ATOM 0 HD3 LYS A 26 0.820 20.230 0.705 1.00 1.62 H new ATOM 0 HE2 LYS A 26 0.207 19.224 2.937 1.00 2.50 H new ATOM 0 HE3 LYS A 26 0.930 20.612 3.727 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 -0.970 21.678 3.474 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 -0.821 21.587 1.785 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 -1.642 20.366 2.632 1.00 3.24 H new ATOM 511 N MET A 27 3.693 15.927 0.139 1.00 0.47 N ATOM 512 CA MET A 27 4.881 15.233 -0.326 1.00 0.47 C ATOM 513 C MET A 27 4.829 14.994 -1.828 1.00 0.47 C ATOM 514 O MET A 27 5.723 15.411 -2.568 1.00 0.49 O ATOM 515 CB MET A 27 5.032 13.901 0.412 1.00 0.49 C ATOM 516 CG MET A 27 5.351 14.046 1.891 1.00 0.50 C ATOM 517 SD MET A 27 7.093 13.777 2.261 1.00 0.92 S ATOM 518 CE MET A 27 7.278 12.066 1.760 1.00 0.79 C ATOM 0 H MET A 27 3.169 15.424 0.855 1.00 0.47 H new ATOM 0 HA MET A 27 5.745 15.863 -0.114 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.109 13.331 0.304 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.822 13.321 -0.064 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.064 15.044 2.223 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.750 13.336 2.459 1.00 0.50 H new ATOM 0 HE1 MET A 27 8.024 11.581 2.389 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.324 11.550 1.866 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.599 12.024 0.719 1.00 0.79 H new ATOM 528 N LYS A 28 3.770 14.334 -2.277 1.00 0.45 N ATOM 529 CA LYS A 28 3.593 13.982 -3.679 1.00 0.49 C ATOM 530 C LYS A 28 3.590 15.237 -4.565 1.00 0.54 C ATOM 531 O LYS A 28 4.173 15.243 -5.649 1.00 0.58 O ATOM 532 CB LYS A 28 2.277 13.198 -3.808 1.00 0.50 C ATOM 533 CG LYS A 28 2.101 12.440 -5.120 1.00 0.79 C ATOM 534 CD LYS A 28 1.474 13.297 -6.205 1.00 1.41 C ATOM 535 CE LYS A 28 0.073 13.757 -5.832 1.00 1.82 C ATOM 536 NZ LYS A 28 -0.569 14.524 -6.930 1.00 2.44 N ATOM 0 H LYS A 28 3.006 14.026 -1.676 1.00 0.45 H new ATOM 0 HA LYS A 28 4.423 13.363 -4.020 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.214 12.487 -2.984 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.445 13.893 -3.694 1.00 0.50 H new ATOM 0 HG2 LYS A 28 3.072 12.080 -5.461 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.478 11.563 -4.948 1.00 0.79 H new ATOM 0 HD2 LYS A 28 2.104 14.167 -6.388 1.00 1.41 H new ATOM 0 HD3 LYS A 28 1.434 12.731 -7.136 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -0.541 12.890 -5.588 1.00 1.82 H new ATOM 0 HE3 LYS A 28 0.121 14.376 -4.936 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -0.707 15.510 -6.630 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.041 14.501 -7.772 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 -1.490 14.099 -7.158 1.00 2.44 H new ATOM 550 N LYS A 29 2.953 16.299 -4.078 1.00 0.55 N ATOM 551 CA LYS A 29 2.892 17.565 -4.812 1.00 0.62 C ATOM 552 C LYS A 29 4.254 18.253 -4.904 1.00 0.64 C ATOM 553 O LYS A 29 4.629 18.762 -5.964 1.00 0.72 O ATOM 554 CB LYS A 29 1.872 18.508 -4.168 1.00 0.62 C ATOM 555 CG LYS A 29 1.683 19.817 -4.925 1.00 1.13 C ATOM 556 CD LYS A 29 0.486 20.601 -4.404 1.00 1.57 C ATOM 557 CE LYS A 29 0.681 21.048 -2.963 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.526 21.739 -2.433 1.00 2.69 N ATOM 0 H LYS A 29 2.471 16.310 -3.179 1.00 0.55 H new ATOM 0 HA LYS A 29 2.578 17.327 -5.828 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.912 17.997 -4.099 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.189 18.731 -3.149 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.584 20.424 -4.833 1.00 1.13 H new ATOM 0 HG3 LYS A 29 1.547 19.607 -5.986 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.322 21.474 -5.035 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -0.410 19.984 -4.474 1.00 1.57 H new ATOM 0 HE2 LYS A 29 0.907 20.182 -2.341 1.00 2.08 H new ATOM 0 HE3 LYS A 29 1.539 21.717 -2.902 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -0.356 22.029 -1.449 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -0.727 22.579 -3.012 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.340 21.092 -2.467 1.00 2.69 H new ATOM 572 N ASP A 30 5.000 18.262 -3.805 1.00 0.62 N ATOM 573 CA ASP A 30 6.280 18.968 -3.766 1.00 0.66 C ATOM 574 C ASP A 30 7.397 18.170 -4.430 1.00 0.65 C ATOM 575 O ASP A 30 8.566 18.555 -4.390 1.00 0.69 O ATOM 576 CB ASP A 30 6.672 19.324 -2.329 1.00 0.67 C ATOM 577 CG ASP A 30 6.019 20.605 -1.846 1.00 1.33 C ATOM 578 OD1 ASP A 30 6.461 21.697 -2.263 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.066 20.534 -1.040 1.00 2.14 O ATOM 0 H ASP A 30 4.746 17.794 -2.935 1.00 0.62 H new ATOM 0 HA ASP A 30 6.145 19.889 -4.333 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.391 18.505 -1.666 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.755 19.427 -2.267 1.00 0.67 H new ATOM 584 N GLY A 31 7.023 17.052 -5.035 1.00 0.62 N ATOM 585 CA GLY A 31 7.950 16.324 -5.871 1.00 0.62 C ATOM 586 C GLY A 31 8.742 15.293 -5.108 1.00 0.61 C ATOM 587 O GLY A 31 9.856 14.937 -5.501 1.00 0.63 O ATOM 0 H GLY A 31 6.094 16.638 -4.961 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.399 15.832 -6.673 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.637 17.027 -6.342 1.00 0.62 H new ATOM 591 N LYS A 32 8.188 14.827 -4.003 1.00 0.59 N ATOM 592 CA LYS A 32 8.758 13.695 -3.314 1.00 0.58 C ATOM 593 C LYS A 32 8.577 12.465 -4.184 1.00 0.56 C ATOM 594 O LYS A 32 7.540 12.299 -4.836 1.00 0.55 O ATOM 595 CB LYS A 32 8.105 13.495 -1.946 1.00 0.57 C ATOM 596 CG LYS A 32 8.289 14.673 -1.001 1.00 0.63 C ATOM 597 CD LYS A 32 9.753 14.939 -0.701 1.00 0.76 C ATOM 598 CE LYS A 32 9.918 16.113 0.249 1.00 1.15 C ATOM 599 NZ LYS A 32 9.269 15.868 1.562 1.00 1.65 N ATOM 0 H LYS A 32 7.350 15.215 -3.570 1.00 0.59 H new ATOM 0 HA LYS A 32 9.819 13.872 -3.138 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.039 13.316 -2.085 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.521 12.601 -1.482 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.842 15.564 -1.441 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.758 14.477 -0.070 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.204 14.048 -0.264 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.286 15.143 -1.630 1.00 0.76 H new ATOM 0 HE2 LYS A 32 10.979 16.309 0.401 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.491 17.008 -0.204 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 8.541 16.592 1.730 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 8.828 14.926 1.561 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 9.983 15.914 2.316 1.00 1.65 H new ATOM 613 N ALA A 33 9.579 11.619 -4.198 1.00 0.56 N ATOM 614 CA ALA A 33 9.570 10.423 -5.024 1.00 0.55 C ATOM 615 C ALA A 33 8.549 9.433 -4.498 1.00 0.52 C ATOM 616 O ALA A 33 8.252 9.451 -3.306 1.00 0.50 O ATOM 617 CB ALA A 33 10.949 9.784 -5.052 1.00 0.59 C ATOM 0 H ALA A 33 10.425 11.735 -3.640 1.00 0.56 H new ATOM 0 HA ALA A 33 9.298 10.707 -6.041 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.923 8.890 -5.675 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.670 10.492 -5.462 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.244 9.512 -4.039 1.00 0.59 H new ATOM 623 N LYS A 34 8.013 8.571 -5.356 1.00 0.53 N ATOM 624 CA LYS A 34 7.010 7.601 -4.916 1.00 0.51 C ATOM 625 C LYS A 34 7.540 6.814 -3.723 1.00 0.51 C ATOM 626 O LYS A 34 6.799 6.534 -2.784 1.00 0.48 O ATOM 627 CB LYS A 34 6.628 6.636 -6.042 1.00 0.56 C ATOM 628 CG LYS A 34 6.051 7.296 -7.292 1.00 1.21 C ATOM 629 CD LYS A 34 4.749 8.039 -7.011 1.00 1.64 C ATOM 630 CE LYS A 34 4.984 9.525 -6.778 1.00 2.21 C ATOM 631 NZ LYS A 34 5.561 10.189 -7.978 1.00 2.97 N ATOM 0 H LYS A 34 8.250 8.522 -6.347 1.00 0.53 H new ATOM 0 HA LYS A 34 6.116 8.153 -4.627 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.512 6.066 -6.326 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.899 5.923 -5.657 1.00 0.56 H new ATOM 0 HG2 LYS A 34 6.782 7.993 -7.702 1.00 1.21 H new ATOM 0 HG3 LYS A 34 5.875 6.535 -8.052 1.00 1.21 H new ATOM 0 HD2 LYS A 34 4.067 7.906 -7.850 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.265 7.606 -6.135 1.00 1.64 H new ATOM 0 HE2 LYS A 34 4.041 10.005 -6.515 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.657 9.658 -5.931 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 5.295 11.194 -7.980 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 6.597 10.105 -7.956 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 5.195 9.732 -8.837 1.00 2.97 H new ATOM 645 N LYS A 35 8.827 6.489 -3.743 1.00 0.54 N ATOM 646 CA LYS A 35 9.443 5.752 -2.645 1.00 0.56 C ATOM 647 C LYS A 35 9.404 6.519 -1.317 1.00 0.53 C ATOM 648 O LYS A 35 9.572 5.920 -0.256 1.00 0.55 O ATOM 649 CB LYS A 35 10.886 5.374 -2.978 1.00 0.61 C ATOM 650 CG LYS A 35 11.016 4.018 -3.650 1.00 1.17 C ATOM 651 CD LYS A 35 10.470 4.030 -5.065 1.00 1.56 C ATOM 652 CE LYS A 35 10.205 2.623 -5.560 1.00 2.18 C ATOM 653 NZ LYS A 35 8.992 2.038 -4.926 1.00 2.82 N ATOM 0 H LYS A 35 9.463 6.723 -4.505 1.00 0.54 H new ATOM 0 HA LYS A 35 8.850 4.846 -2.520 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.312 6.136 -3.630 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.475 5.374 -2.061 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.065 3.722 -3.669 1.00 1.17 H new ATOM 0 HG3 LYS A 35 10.484 3.270 -3.062 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.548 4.610 -5.097 1.00 1.56 H new ATOM 0 HD3 LYS A 35 11.180 4.524 -5.728 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.080 2.635 -6.643 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.068 1.993 -5.346 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 8.962 1.015 -5.112 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.023 2.203 -3.900 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 8.142 2.487 -5.323 1.00 2.82 H new ATOM 667 N GLU A 36 9.173 7.827 -1.357 1.00 0.51 N ATOM 668 CA GLU A 36 9.130 8.632 -0.143 1.00 0.50 C ATOM 669 C GLU A 36 7.712 8.642 0.436 1.00 0.44 C ATOM 670 O GLU A 36 7.482 8.771 1.637 1.00 0.45 O ATOM 671 CB GLU A 36 9.605 10.056 -0.433 1.00 0.53 C ATOM 672 CG GLU A 36 10.958 10.093 -1.117 1.00 0.61 C ATOM 673 CD GLU A 36 11.547 11.489 -1.218 1.00 0.68 C ATOM 674 OE1 GLU A 36 12.259 11.909 -0.277 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.320 12.166 -2.241 1.00 0.66 O ATOM 0 H GLU A 36 9.013 8.352 -2.217 1.00 0.51 H new ATOM 0 HA GLU A 36 9.800 8.191 0.595 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.870 10.559 -1.062 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.659 10.614 0.502 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.651 9.454 -0.570 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.862 9.674 -2.119 1.00 0.61 H new ATOM 682 N LEU A 37 6.777 8.458 -0.493 1.00 0.39 N ATOM 683 CA LEU A 37 5.389 8.234 -0.141 1.00 0.36 C ATOM 684 C LEU A 37 5.204 6.808 0.354 1.00 0.36 C ATOM 685 O LEU A 37 4.493 6.555 1.328 1.00 0.35 O ATOM 686 CB LEU A 37 4.519 8.483 -1.367 1.00 0.37 C ATOM 687 CG LEU A 37 4.390 9.940 -1.820 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.718 10.773 -0.748 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.727 10.557 -2.191 1.00 1.01 C ATOM 0 H LEU A 37 6.962 8.461 -1.496 1.00 0.39 H new ATOM 0 HA LEU A 37 5.096 8.918 0.656 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.921 7.901 -2.196 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.520 8.098 -1.162 1.00 0.37 H new ATOM 0 HG LEU A 37 3.773 9.934 -2.719 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.635 11.805 -1.088 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.723 10.376 -0.549 1.00 1.22 H new ATOM 0 HD13 LEU A 37 4.312 10.738 0.165 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.577 11.590 -2.505 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.391 10.533 -1.327 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.175 9.991 -3.008 1.00 1.01 H new ATOM 701 N GLU A 38 5.880 5.894 -0.334 1.00 0.39 N ATOM 702 CA GLU A 38 5.942 4.483 0.037 1.00 0.43 C ATOM 703 C GLU A 38 6.447 4.327 1.467 1.00 0.43 C ATOM 704 O GLU A 38 6.122 3.372 2.156 1.00 0.45 O ATOM 705 CB GLU A 38 6.895 3.773 -0.927 1.00 0.57 C ATOM 706 CG GLU A 38 7.183 2.324 -0.586 1.00 1.35 C ATOM 707 CD GLU A 38 8.457 1.835 -1.242 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.417 1.444 -2.424 1.00 2.49 O ATOM 709 OE2 GLU A 38 9.514 1.849 -0.574 1.00 2.72 O ATOM 0 H GLU A 38 6.409 6.115 -1.178 1.00 0.39 H new ATOM 0 HA GLU A 38 4.945 4.046 -0.022 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.473 3.818 -1.931 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.838 4.320 -0.952 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.266 2.214 0.495 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.347 1.702 -0.906 1.00 1.35 H new ATOM 716 N ALA A 39 7.189 5.318 1.916 1.00 0.43 N ATOM 717 CA ALA A 39 7.857 5.260 3.198 1.00 0.45 C ATOM 718 C ALA A 39 7.027 5.790 4.352 1.00 0.42 C ATOM 719 O ALA A 39 7.047 5.233 5.448 1.00 0.44 O ATOM 720 CB ALA A 39 9.177 6.009 3.125 1.00 0.49 C ATOM 0 H ALA A 39 7.345 6.185 1.402 1.00 0.43 H new ATOM 0 HA ALA A 39 8.025 4.203 3.406 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.676 5.962 4.093 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.813 5.552 2.367 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.990 7.050 2.863 1.00 0.49 H new ATOM 726 N LYS A 40 6.276 6.856 4.095 1.00 0.39 N ATOM 727 CA LYS A 40 5.329 7.364 5.057 1.00 0.37 C ATOM 728 C LYS A 40 4.292 6.300 5.380 1.00 0.31 C ATOM 729 O LYS A 40 4.098 5.944 6.538 1.00 0.31 O ATOM 730 CB LYS A 40 4.641 8.602 4.495 1.00 0.41 C ATOM 731 CG LYS A 40 5.524 9.835 4.448 1.00 0.79 C ATOM 732 CD LYS A 40 5.790 10.375 5.841 1.00 0.64 C ATOM 733 CE LYS A 40 6.656 11.622 5.801 1.00 0.74 C ATOM 734 NZ LYS A 40 6.796 12.236 7.146 1.00 1.34 N ATOM 0 H LYS A 40 6.312 7.381 3.221 1.00 0.39 H new ATOM 0 HA LYS A 40 5.859 7.630 5.972 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.288 8.382 3.487 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.761 8.821 5.100 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.469 9.590 3.964 1.00 0.79 H new ATOM 0 HG3 LYS A 40 5.046 10.605 3.842 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.843 10.604 6.330 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.281 9.609 6.441 1.00 0.64 H new ATOM 0 HE2 LYS A 40 7.642 11.368 5.412 1.00 0.74 H new ATOM 0 HE3 LYS A 40 6.219 12.347 5.114 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.547 12.955 7.123 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.897 12.682 7.419 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.042 11.501 7.839 1.00 1.34 H new ATOM 748 N ILE A 41 3.652 5.780 4.339 1.00 0.29 N ATOM 749 CA ILE A 41 2.591 4.800 4.490 1.00 0.26 C ATOM 750 C ILE A 41 3.072 3.551 5.217 1.00 0.27 C ATOM 751 O ILE A 41 2.380 3.037 6.090 1.00 0.27 O ATOM 752 CB ILE A 41 2.020 4.423 3.114 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.427 5.668 2.461 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.975 3.326 3.243 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.960 5.455 1.044 1.00 0.39 C ATOM 0 H ILE A 41 3.856 6.027 3.371 1.00 0.29 H new ATOM 0 HA ILE A 41 1.807 5.254 5.096 1.00 0.26 H new ATOM 0 HB ILE A 41 2.822 4.036 2.485 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.586 6.015 3.061 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.174 6.462 2.471 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.586 3.076 2.256 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.430 2.441 3.688 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.160 3.673 3.878 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.552 6.386 0.651 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.801 5.139 0.427 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.188 4.685 1.027 1.00 0.39 H new ATOM 767 N LEU A 42 4.261 3.077 4.875 1.00 0.31 N ATOM 768 CA LEU A 42 4.810 1.886 5.507 1.00 0.35 C ATOM 769 C LEU A 42 5.153 2.135 6.976 1.00 0.35 C ATOM 770 O LEU A 42 5.006 1.250 7.826 1.00 0.38 O ATOM 771 CB LEU A 42 6.067 1.410 4.774 1.00 0.39 C ATOM 772 CG LEU A 42 5.841 0.826 3.377 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.122 0.204 2.854 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.715 -0.197 3.385 1.00 0.40 C ATOM 0 H LEU A 42 4.862 3.497 4.166 1.00 0.31 H new ATOM 0 HA LEU A 42 4.041 1.115 5.452 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.756 2.251 4.689 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.559 0.655 5.388 1.00 0.39 H new ATOM 0 HG LEU A 42 5.549 1.639 2.712 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.947 -0.207 1.860 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.900 0.965 2.800 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.440 -0.593 3.526 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.577 -0.594 2.379 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.967 -1.010 4.065 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.792 0.280 3.716 1.00 0.40 H new ATOM 786 N HIS A 43 5.595 3.352 7.265 1.00 0.35 N ATOM 787 CA HIS A 43 5.818 3.776 8.642 1.00 0.37 C ATOM 788 C HIS A 43 4.487 3.850 9.399 1.00 0.35 C ATOM 789 O HIS A 43 4.373 3.343 10.517 1.00 0.40 O ATOM 790 CB HIS A 43 6.518 5.140 8.674 1.00 0.40 C ATOM 791 CG HIS A 43 6.985 5.545 10.035 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.400 6.555 10.769 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.000 5.071 10.793 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.034 6.683 11.919 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.007 5.795 11.959 1.00 0.92 N ATOM 0 H HIS A 43 5.806 4.063 6.565 1.00 0.35 H new ATOM 0 HA HIS A 43 6.459 3.042 9.130 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.373 5.115 7.999 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.834 5.898 8.294 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.678 4.272 10.530 1.00 1.23 H new ATOM 0 HE1 HIS A 43 6.796 7.395 12.696 1.00 0.93 H new ATOM 0 HE2 HIS A 43 8.660 5.666 12.732 1.00 0.92 H new ATOM 804 N TYR A 44 3.485 4.478 8.773 1.00 0.30 N ATOM 805 CA TYR A 44 2.140 4.582 9.352 1.00 0.30 C ATOM 806 C TYR A 44 1.540 3.195 9.549 1.00 0.32 C ATOM 807 O TYR A 44 0.780 2.950 10.484 1.00 0.40 O ATOM 808 CB TYR A 44 1.216 5.394 8.439 1.00 0.31 C ATOM 809 CG TYR A 44 1.670 6.816 8.221 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.285 7.519 9.238 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.493 7.443 6.995 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.714 8.810 9.049 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.923 8.740 6.794 1.00 0.50 C ATOM 814 CZ TYR A 44 2.533 9.420 7.826 1.00 0.58 C ATOM 815 OH TYR A 44 2.962 10.712 7.637 1.00 0.68 O ATOM 0 H TYR A 44 3.581 4.924 7.861 1.00 0.30 H new ATOM 0 HA TYR A 44 2.230 5.086 10.314 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.144 4.894 7.473 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.214 5.404 8.868 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.431 7.046 10.198 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.013 6.910 6.188 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.192 9.346 9.856 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.782 9.218 5.836 1.00 0.50 H new ATOM 0 HH TYR A 44 2.760 10.993 6.720 1.00 0.68 H new ATOM 825 N TYR A 45 1.891 2.305 8.640 1.00 0.30 N ATOM 826 CA TYR A 45 1.408 0.942 8.639 1.00 0.33 C ATOM 827 C TYR A 45 1.903 0.173 9.864 1.00 0.40 C ATOM 828 O TYR A 45 1.127 -0.495 10.553 1.00 0.42 O ATOM 829 CB TYR A 45 1.883 0.269 7.348 1.00 0.35 C ATOM 830 CG TYR A 45 1.566 -1.191 7.247 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.260 -1.633 7.143 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.585 -2.124 7.243 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.023 -2.975 7.046 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.316 -3.468 7.145 1.00 0.54 C ATOM 835 CZ TYR A 45 1.010 -3.893 7.049 1.00 0.53 C ATOM 836 OH TYR A 45 0.735 -5.238 6.958 1.00 0.58 O ATOM 0 H TYR A 45 2.529 2.514 7.872 1.00 0.30 H new ATOM 0 HA TYR A 45 0.319 0.942 8.685 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.432 0.784 6.500 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.962 0.399 7.263 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.547 -0.916 7.138 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.610 -1.792 7.318 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.047 -3.310 6.968 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.123 -4.186 7.143 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.216 -5.390 7.139 1.00 0.58 H new ATOM 846 N ASP A 46 3.189 0.286 10.152 1.00 0.43 N ATOM 847 CA ASP A 46 3.789 -0.513 11.214 1.00 0.51 C ATOM 848 C ASP A 46 3.384 -0.017 12.601 1.00 0.53 C ATOM 849 O ASP A 46 3.458 -0.771 13.571 1.00 0.60 O ATOM 850 CB ASP A 46 5.314 -0.539 11.078 1.00 0.58 C ATOM 851 CG ASP A 46 5.980 -1.467 12.078 1.00 0.90 C ATOM 852 OD1 ASP A 46 5.951 -2.697 11.864 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.554 -0.972 13.072 1.00 1.14 O ATOM 0 H ASP A 46 3.834 0.915 9.673 1.00 0.43 H new ATOM 0 HA ASP A 46 3.410 -1.529 11.106 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.578 -0.851 10.068 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.703 0.470 11.212 1.00 0.58 H new ATOM 858 N GLU A 47 2.916 1.225 12.710 1.00 0.49 N ATOM 859 CA GLU A 47 2.542 1.768 14.009 1.00 0.51 C ATOM 860 C GLU A 47 1.078 1.465 14.337 1.00 0.49 C ATOM 861 O GLU A 47 0.559 1.909 15.364 1.00 0.58 O ATOM 862 CB GLU A 47 2.786 3.278 14.055 1.00 0.53 C ATOM 863 CG GLU A 47 2.020 4.064 13.010 1.00 1.21 C ATOM 864 CD GLU A 47 2.233 5.559 13.137 1.00 1.73 C ATOM 865 OE1 GLU A 47 3.219 6.077 12.578 1.00 2.22 O ATOM 866 OE2 GLU A 47 1.419 6.222 13.819 1.00 2.21 O ATOM 0 H GLU A 47 2.789 1.864 11.925 1.00 0.49 H new ATOM 0 HA GLU A 47 3.168 1.286 14.759 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.514 3.649 15.043 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.852 3.466 13.926 1.00 0.53 H new ATOM 0 HG2 GLU A 47 2.329 3.739 12.017 1.00 1.21 H new ATOM 0 HG3 GLU A 47 0.957 3.843 13.101 1.00 1.21 H new ATOM 873 N LEU A 48 0.414 0.714 13.454 1.00 0.44 N ATOM 874 CA LEU A 48 -0.993 0.375 13.606 1.00 0.46 C ATOM 875 C LEU A 48 -1.234 -0.603 14.765 1.00 0.69 C ATOM 876 O LEU A 48 -0.405 -0.753 15.666 1.00 1.11 O ATOM 877 CB LEU A 48 -1.493 -0.191 12.270 1.00 0.37 C ATOM 878 CG LEU A 48 -1.642 0.849 11.165 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.025 0.188 9.854 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.688 1.872 11.568 1.00 0.47 C ATOM 0 H LEU A 48 0.843 0.326 12.614 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.556 1.273 13.862 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.802 -0.964 11.935 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.457 -0.674 12.431 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.686 1.352 11.022 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.126 0.948 9.079 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.251 -0.523 9.566 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.973 -0.336 9.974 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.794 2.615 10.778 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.644 1.372 11.726 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.379 2.365 12.490 1.00 0.47 H new ATOM 892 N GLU A 49 -2.367 -1.269 14.713 1.00 0.61 N ATOM 893 CA GLU A 49 -2.828 -2.122 15.797 1.00 0.86 C ATOM 894 C GLU A 49 -3.685 -3.249 15.232 1.00 0.61 C ATOM 895 O GLU A 49 -3.844 -3.328 14.021 1.00 1.16 O ATOM 896 CB GLU A 49 -3.589 -1.300 16.838 1.00 1.42 C ATOM 897 CG GLU A 49 -4.811 -0.591 16.300 1.00 1.33 C ATOM 898 CD GLU A 49 -6.098 -1.310 16.634 1.00 2.01 C ATOM 899 OE1 GLU A 49 -6.455 -1.366 17.828 1.00 2.19 O ATOM 900 OE2 GLU A 49 -6.766 -1.812 15.709 1.00 2.83 O ATOM 0 H GLU A 49 -3.001 -1.237 13.915 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.969 -2.567 16.300 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -3.894 -1.959 17.651 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -2.912 -0.560 17.264 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -4.848 0.419 16.707 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.723 -0.496 15.218 1.00 1.33 H new ATOM 907 N GLY A 50 -4.235 -4.087 16.109 1.00 0.74 N ATOM 908 CA GLY A 50 -4.946 -5.301 15.697 1.00 0.61 C ATOM 909 C GLY A 50 -5.835 -5.142 14.471 1.00 0.54 C ATOM 910 O GLY A 50 -5.463 -5.555 13.370 1.00 0.54 O ATOM 0 H GLY A 50 -4.202 -3.947 17.119 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.213 -6.083 15.497 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.559 -5.645 16.530 1.00 0.61 H new ATOM 914 N ASP A 51 -7.006 -4.546 14.649 1.00 0.54 N ATOM 915 CA ASP A 51 -7.960 -4.406 13.548 1.00 0.52 C ATOM 916 C ASP A 51 -7.485 -3.360 12.551 1.00 0.46 C ATOM 917 O ASP A 51 -7.647 -3.548 11.351 1.00 0.46 O ATOM 918 CB ASP A 51 -9.348 -4.037 14.074 1.00 0.58 C ATOM 919 CG ASP A 51 -10.374 -3.916 12.962 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.832 -4.962 12.455 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.733 -2.773 12.603 1.00 2.37 O ATOM 0 H ASP A 51 -7.320 -4.153 15.536 1.00 0.54 H new ATOM 0 HA ASP A 51 -8.025 -5.368 13.039 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.676 -4.793 14.787 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.289 -3.093 14.615 1.00 0.58 H new ATOM 926 N ALA A 52 -6.888 -2.276 13.032 1.00 0.43 N ATOM 927 CA ALA A 52 -6.454 -1.198 12.143 1.00 0.41 C ATOM 928 C ALA A 52 -5.482 -1.723 11.104 1.00 0.40 C ATOM 929 O ALA A 52 -5.603 -1.424 9.919 1.00 0.40 O ATOM 930 CB ALA A 52 -5.829 -0.058 12.927 1.00 0.42 C ATOM 0 H ALA A 52 -6.694 -2.118 14.021 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.335 -0.811 11.631 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.516 0.728 12.240 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.559 0.344 13.630 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.962 -0.426 13.476 1.00 0.42 H new ATOM 936 N LYS A 53 -4.515 -2.509 11.563 1.00 0.40 N ATOM 937 CA LYS A 53 -3.508 -3.058 10.679 1.00 0.41 C ATOM 938 C LYS A 53 -4.132 -4.100 9.779 1.00 0.41 C ATOM 939 O LYS A 53 -3.880 -4.110 8.583 1.00 0.40 O ATOM 940 CB LYS A 53 -2.354 -3.658 11.449 1.00 0.47 C ATOM 941 CG LYS A 53 -1.121 -3.814 10.587 1.00 0.52 C ATOM 942 CD LYS A 53 0.090 -4.066 11.435 1.00 0.94 C ATOM 943 CE LYS A 53 1.334 -4.267 10.583 1.00 0.83 C ATOM 944 NZ LYS A 53 2.520 -4.641 11.397 1.00 1.62 N ATOM 0 H LYS A 53 -4.412 -2.777 12.542 1.00 0.40 H new ATOM 0 HA LYS A 53 -3.111 -2.243 10.074 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.121 -3.025 12.305 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.647 -4.631 11.843 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -1.261 -4.640 9.889 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.972 -2.914 9.990 1.00 0.52 H new ATOM 0 HD2 LYS A 53 0.243 -3.225 12.112 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.075 -4.948 12.054 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.144 -5.045 9.844 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.548 -3.350 10.034 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 3.343 -4.767 10.774 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 2.720 -3.888 12.086 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 2.328 -5.530 11.902 1.00 1.62 H new ATOM 958 N LYS A 54 -4.942 -4.975 10.365 1.00 0.44 N ATOM 959 CA LYS A 54 -5.678 -5.967 9.593 1.00 0.47 C ATOM 960 C LYS A 54 -6.453 -5.291 8.460 1.00 0.44 C ATOM 961 O LYS A 54 -6.396 -5.725 7.307 1.00 0.46 O ATOM 962 CB LYS A 54 -6.616 -6.762 10.505 1.00 0.52 C ATOM 963 CG LYS A 54 -8.078 -6.711 10.101 1.00 0.99 C ATOM 964 CD LYS A 54 -8.859 -7.815 10.772 1.00 0.97 C ATOM 965 CE LYS A 54 -10.295 -7.889 10.265 1.00 1.74 C ATOM 966 NZ LYS A 54 -11.001 -6.582 10.363 1.00 2.49 N ATOM 0 H LYS A 54 -5.105 -5.017 11.371 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.968 -6.664 9.148 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.292 -7.803 10.520 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.520 -6.384 11.523 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.501 -5.744 10.372 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.164 -6.805 9.018 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.363 -8.769 10.595 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.863 -7.653 11.850 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.294 -8.221 9.227 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.842 -8.638 10.839 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -12.026 -6.745 10.423 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.680 -6.077 11.214 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.790 -6.010 9.521 1.00 2.49 H new ATOM 980 N GLU A 55 -7.149 -4.208 8.790 1.00 0.42 N ATOM 981 CA GLU A 55 -7.920 -3.458 7.829 1.00 0.41 C ATOM 982 C GLU A 55 -7.004 -2.770 6.835 1.00 0.39 C ATOM 983 O GLU A 55 -7.223 -2.871 5.629 1.00 0.41 O ATOM 984 CB GLU A 55 -8.780 -2.437 8.566 1.00 0.42 C ATOM 985 CG GLU A 55 -9.959 -3.048 9.291 1.00 0.89 C ATOM 986 CD GLU A 55 -10.899 -3.780 8.361 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.758 -3.127 7.731 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.788 -5.016 8.255 1.00 2.27 O ATOM 0 H GLU A 55 -7.189 -3.832 9.737 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.567 -4.137 7.273 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.159 -1.903 9.285 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.146 -1.700 7.852 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.595 -3.739 10.051 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.507 -2.263 9.811 1.00 0.89 H new ATOM 995 N ALA A 56 -5.983 -2.081 7.320 1.00 0.36 N ATOM 996 CA ALA A 56 -5.083 -1.376 6.429 1.00 0.34 C ATOM 997 C ALA A 56 -4.422 -2.359 5.479 1.00 0.36 C ATOM 998 O ALA A 56 -4.482 -2.190 4.268 1.00 0.37 O ATOM 999 CB ALA A 56 -4.048 -0.581 7.207 1.00 0.31 C ATOM 0 H ALA A 56 -5.761 -1.997 8.312 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.662 -0.662 5.843 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.388 -0.064 6.511 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.551 0.149 7.841 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.461 -1.258 7.828 1.00 0.31 H new ATOM 1005 N THR A 57 -3.806 -3.388 6.040 1.00 0.38 N ATOM 1006 CA THR A 57 -3.146 -4.419 5.259 1.00 0.41 C ATOM 1007 C THR A 57 -4.035 -4.944 4.134 1.00 0.44 C ATOM 1008 O THR A 57 -3.608 -5.071 2.994 1.00 0.45 O ATOM 1009 CB THR A 57 -2.743 -5.617 6.142 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.947 -5.175 7.241 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.971 -6.646 5.342 1.00 0.51 C ATOM 0 H THR A 57 -3.750 -3.531 7.048 1.00 0.38 H new ATOM 0 HA THR A 57 -2.260 -3.950 4.832 1.00 0.41 H new ATOM 0 HB THR A 57 -3.656 -6.079 6.517 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.530 -4.837 7.952 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.699 -7.480 5.989 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.591 -7.009 4.522 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.067 -6.190 4.939 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.295 -5.200 4.482 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.281 -5.684 3.520 1.00 0.49 C ATOM 1021 C GLU A 58 -6.678 -4.602 2.512 1.00 0.48 C ATOM 1022 O GLU A 58 -7.126 -4.914 1.408 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.510 -6.239 4.241 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.287 -7.644 4.774 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.578 -8.395 4.992 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.084 -8.995 4.016 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -9.097 -8.388 6.126 1.00 1.71 O ATOM 0 H GLU A 58 -5.657 -5.079 5.428 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.817 -6.492 2.955 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.772 -5.578 5.067 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.358 -6.244 3.556 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.662 -8.199 4.074 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.740 -7.589 5.715 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.503 -3.341 2.872 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.801 -2.251 1.952 1.00 0.43 C ATOM 1036 C HIS A 59 -5.655 -2.084 0.969 1.00 0.42 C ATOM 1037 O HIS A 59 -5.871 -1.960 -0.239 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.060 -0.941 2.694 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.389 -0.884 3.378 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.566 -1.260 2.768 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.725 -0.499 4.631 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.565 -1.111 3.615 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.083 -0.650 4.753 1.00 0.57 N ATOM 0 H HIS A 59 -6.159 -3.046 3.786 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.712 -2.504 1.410 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.274 -0.793 3.435 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.991 -0.114 1.987 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.050 -0.140 5.393 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.603 -1.329 3.412 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.631 -0.440 5.588 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.436 -2.065 1.495 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.249 -2.095 0.675 1.00 0.40 C ATOM 1054 C LEU A 60 -3.211 -3.368 -0.171 1.00 0.43 C ATOM 1055 O LEU A 60 -2.730 -3.347 -1.302 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.997 -1.991 1.547 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.737 -0.611 2.155 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.865 -0.148 3.041 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.418 -0.590 2.916 1.00 0.59 C ATOM 0 H LEU A 60 -4.252 -2.029 2.498 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.273 -1.239 0.001 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.076 -2.717 2.356 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.132 -2.275 0.947 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.674 0.090 1.322 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.629 0.836 3.446 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.785 -0.090 2.459 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.998 -0.855 3.860 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.257 0.402 3.338 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.450 -1.326 3.720 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.399 -0.831 2.236 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.732 -4.475 0.374 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.837 -5.723 -0.376 1.00 0.50 C ATOM 1073 C LYS A 61 -4.703 -5.520 -1.603 1.00 0.53 C ATOM 1074 O LYS A 61 -4.283 -5.828 -2.715 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.425 -6.856 0.480 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.407 -7.590 1.346 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.080 -8.634 2.231 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.065 -9.438 3.034 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.722 -10.355 4.009 1.00 0.67 N ATOM 0 H LYS A 61 -4.085 -4.527 1.329 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.829 -6.011 -0.674 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.200 -6.442 1.125 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.910 -7.577 -0.178 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.666 -8.074 0.709 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.872 -6.873 1.969 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.773 -8.140 2.912 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.670 -9.310 1.611 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.443 -10.019 2.353 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.403 -8.756 3.568 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.995 -10.882 4.534 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.296 -9.800 4.675 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.334 -11.023 3.499 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.926 -5.035 -1.393 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.804 -4.695 -2.497 1.00 0.56 C ATOM 1095 C GLY A 62 -6.160 -3.719 -3.457 1.00 0.55 C ATOM 1096 O GLY A 62 -6.342 -3.817 -4.670 1.00 0.59 O ATOM 0 H GLY A 62 -6.325 -4.871 -0.469 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.079 -5.603 -3.034 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.726 -4.264 -2.107 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.406 -2.770 -2.910 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.627 -1.868 -3.736 1.00 0.49 C ATOM 1102 C GLY A 63 -3.703 -2.616 -4.670 1.00 0.49 C ATOM 1103 O GLY A 63 -3.760 -2.438 -5.885 1.00 0.50 O ATOM 0 H GLY A 63 -5.321 -2.610 -1.906 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.299 -1.237 -4.318 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.041 -1.206 -3.098 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.871 -3.474 -4.099 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.964 -4.299 -4.879 1.00 0.55 C ATOM 1109 C CYS A 64 -2.732 -5.266 -5.773 1.00 0.56 C ATOM 1110 O CYS A 64 -2.269 -5.620 -6.849 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.021 -5.068 -3.960 1.00 0.68 C ATOM 1112 SG CYS A 64 0.115 -4.007 -3.011 1.00 1.13 S ATOM 0 H CYS A 64 -2.806 -3.617 -3.091 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.376 -3.640 -5.517 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -1.613 -5.663 -3.264 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -0.436 -5.766 -4.558 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.908 -5.682 -5.320 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.775 -6.554 -6.105 1.00 0.67 C ATOM 1119 C ARG A 65 -5.116 -5.893 -7.429 1.00 0.65 C ATOM 1120 O ARG A 65 -5.002 -6.501 -8.492 1.00 0.79 O ATOM 1121 CB ARG A 65 -6.062 -6.851 -5.329 1.00 0.76 C ATOM 1122 CG ARG A 65 -7.066 -7.690 -6.099 1.00 0.86 C ATOM 1123 CD ARG A 65 -8.418 -7.719 -5.405 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.335 -8.269 -4.052 1.00 2.07 N ATOM 1125 CZ ARG A 65 -8.907 -9.411 -3.676 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.585 -10.143 -4.551 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -8.801 -9.822 -2.420 1.00 3.80 N ATOM 0 H ARG A 65 -4.286 -5.428 -4.407 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.250 -7.490 -6.298 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.806 -7.367 -4.404 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.531 -5.908 -5.048 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.181 -7.288 -7.106 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.688 -8.707 -6.203 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.823 -6.708 -5.360 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -9.114 -8.315 -5.995 1.00 1.49 H new ATOM 0 HE ARG A 65 -7.807 -7.746 -3.354 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.670 -9.832 -5.519 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.021 -11.017 -4.256 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -8.282 -9.263 -1.743 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -9.239 -10.697 -2.131 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.516 -4.634 -7.348 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.857 -3.858 -8.526 1.00 0.55 C ATOM 1143 C GLU A 66 -4.602 -3.537 -9.339 1.00 0.48 C ATOM 1144 O GLU A 66 -4.666 -3.357 -10.555 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.598 -2.587 -8.104 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.947 -2.884 -7.457 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.558 -1.687 -6.756 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.827 -0.669 -7.425 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.796 -1.770 -5.533 1.00 2.02 O ATOM 0 H GLU A 66 -5.613 -4.125 -6.469 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.517 -4.442 -9.168 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.979 -2.025 -7.404 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.749 -1.952 -8.977 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.638 -3.239 -8.222 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.825 -3.694 -6.737 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.456 -3.496 -8.665 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.177 -3.312 -9.341 1.00 0.47 C ATOM 1158 C ILE A 67 -1.793 -4.567 -10.107 1.00 0.45 C ATOM 1159 O ILE A 67 -1.424 -4.492 -11.277 1.00 0.45 O ATOM 1160 CB ILE A 67 -1.052 -2.943 -8.354 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.343 -1.576 -7.735 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.306 -2.946 -9.054 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.366 -1.176 -6.656 1.00 0.81 C ATOM 0 H ILE A 67 -3.388 -3.588 -7.651 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.300 -2.483 -10.038 1.00 0.47 H new ATOM 0 HB ILE A 67 -1.016 -3.690 -7.561 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.331 -0.821 -8.521 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.349 -1.584 -7.316 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.085 -2.683 -8.338 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.505 -3.939 -9.458 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.298 -2.219 -9.866 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.637 -0.195 -6.265 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.394 -1.909 -5.850 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.640 -1.134 -7.073 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.891 -5.721 -9.454 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.652 -7.000 -10.119 1.00 0.80 C ATOM 1177 C LEU A 68 -2.675 -7.210 -11.222 1.00 0.82 C ATOM 1178 O LEU A 68 -2.394 -7.833 -12.238 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.704 -8.164 -9.119 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.369 -8.536 -8.457 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.656 -8.906 -9.512 1.00 1.58 C ATOM 1182 CD2 LEU A 68 0.151 -7.403 -7.584 1.00 1.71 C ATOM 0 H LEU A 68 -2.134 -5.798 -8.466 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.653 -6.976 -10.555 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -2.419 -7.914 -8.335 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.090 -9.044 -9.634 1.00 1.12 H new ATOM 0 HG LEU A 68 -0.541 -9.399 -7.814 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.597 -9.167 -9.029 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.295 -9.758 -10.087 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.814 -8.059 -10.179 1.00 1.58 H new ATOM 0 HD21 LEU A 68 1.097 -7.698 -7.130 1.00 1.71 H new ATOM 0 HD22 LEU A 68 0.304 -6.513 -8.195 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -0.575 -7.185 -6.801 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.839 -6.623 -11.021 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.871 -6.653 -12.042 1.00 1.24 C ATOM 1196 C LYS A 69 -4.434 -5.846 -13.265 1.00 1.20 C ATOM 1197 O LYS A 69 -5.018 -5.953 -14.344 1.00 1.61 O ATOM 1198 CB LYS A 69 -6.206 -6.149 -11.496 1.00 1.39 C ATOM 1199 CG LYS A 69 -7.386 -6.525 -12.373 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.710 -6.090 -11.769 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.874 -6.444 -12.681 1.00 1.68 C ATOM 1202 NZ LYS A 69 -11.174 -5.952 -12.150 1.00 2.22 N ATOM 0 H LYS A 69 -4.093 -6.124 -10.169 1.00 0.95 H new ATOM 0 HA LYS A 69 -5.016 -7.689 -12.349 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -6.360 -6.555 -10.496 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.165 -5.064 -11.397 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -7.268 -6.066 -13.355 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.395 -7.604 -12.525 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.845 -6.570 -10.800 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.696 -5.014 -11.593 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.702 -6.017 -13.669 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -9.920 -7.526 -12.805 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -11.938 -6.216 -12.804 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -11.352 -6.379 -11.219 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -11.141 -4.917 -12.056 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.391 -5.049 -13.087 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.817 -4.268 -14.166 1.00 1.16 C ATOM 1218 C HIS A 70 -1.567 -4.966 -14.693 1.00 0.91 C ATOM 1219 O HIS A 70 -1.467 -5.308 -15.866 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.479 -2.848 -13.691 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.881 -1.973 -14.754 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.575 -0.961 -15.374 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.635 -1.955 -15.292 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.790 -0.358 -16.245 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.606 -0.941 -16.218 1.00 1.74 N ATOM 0 H HIS A 70 -2.921 -4.927 -12.190 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.548 -4.187 -14.970 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.387 -2.376 -13.315 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.783 -2.912 -12.854 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.182 -2.615 -15.039 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -2.069 0.474 -16.875 1.00 1.76 H new ATOM 0 HE2 HIS A 70 0.198 -0.681 -16.790 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.613 -5.157 -13.779 1.00 0.76 N ATOM 1235 CA VAL A 71 0.721 -5.620 -14.104 1.00 0.69 C ATOM 1236 C VAL A 71 0.743 -7.086 -14.533 1.00 0.52 C ATOM 1237 O VAL A 71 1.391 -7.445 -15.518 1.00 0.59 O ATOM 1238 CB VAL A 71 1.669 -5.381 -12.905 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.142 -5.978 -11.640 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.045 -5.909 -13.176 1.00 1.46 C ATOM 0 H VAL A 71 -0.756 -4.990 -12.783 1.00 0.76 H new ATOM 0 HA VAL A 71 1.070 -5.042 -14.959 1.00 0.69 H new ATOM 0 HB VAL A 71 1.725 -4.300 -12.774 1.00 0.81 H new ATOM 0 HG11 VAL A 71 1.842 -5.784 -10.827 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.176 -5.532 -11.402 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.023 -7.054 -11.767 1.00 1.01 H new ATOM 0 HG21 VAL A 71 3.683 -5.723 -12.312 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.993 -6.981 -13.364 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.462 -5.407 -14.049 1.00 1.46 H new ATOM 1250 N VAL A 72 0.042 -7.934 -13.805 1.00 0.44 N ATOM 1251 CA VAL A 72 -0.013 -9.336 -14.152 1.00 0.46 C ATOM 1252 C VAL A 72 -1.288 -9.628 -14.938 1.00 0.47 C ATOM 1253 O VAL A 72 -1.456 -10.705 -15.521 1.00 0.64 O ATOM 1254 CB VAL A 72 0.080 -10.224 -12.894 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.284 -10.628 -12.353 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.954 -11.422 -13.169 1.00 0.80 C ATOM 0 H VAL A 72 -0.493 -7.677 -12.976 1.00 0.44 H new ATOM 0 HA VAL A 72 0.845 -9.572 -14.781 1.00 0.46 H new ATOM 0 HB VAL A 72 0.543 -9.630 -12.106 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.154 -11.251 -11.468 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.849 -9.735 -12.088 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.826 -11.188 -13.115 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.013 -12.042 -12.275 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.528 -12.004 -13.986 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.954 -11.087 -13.445 1.00 0.80 H new ATOM 1266 N GLY A 73 -2.171 -8.640 -14.955 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.420 -8.764 -15.665 1.00 0.48 C ATOM 1268 C GLY A 73 -4.446 -9.540 -14.876 1.00 0.50 C ATOM 1269 O GLY A 73 -4.109 -10.221 -13.901 1.00 0.55 O ATOM 0 H GLY A 73 -2.039 -7.746 -14.482 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.810 -7.771 -15.888 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.246 -9.260 -16.620 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.699 -9.441 -15.288 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.770 -10.204 -14.667 1.00 0.58 C ATOM 1275 C GLU A 74 -6.481 -11.694 -14.816 1.00 0.53 C ATOM 1276 O GLU A 74 -6.816 -12.493 -13.948 1.00 0.60 O ATOM 1277 CB GLU A 74 -8.105 -9.845 -15.319 1.00 0.69 C ATOM 1278 CG GLU A 74 -9.307 -10.500 -14.664 1.00 1.45 C ATOM 1279 CD GLU A 74 -10.606 -10.113 -15.333 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -11.021 -10.809 -16.284 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -11.218 -9.108 -14.919 1.00 2.10 O ATOM 0 H GLU A 74 -6.001 -8.837 -16.053 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.829 -9.961 -13.606 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.233 -8.763 -15.290 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.074 -10.134 -16.370 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.192 -11.583 -14.699 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -9.344 -10.217 -13.612 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.825 -12.032 -15.922 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.381 -13.391 -16.215 1.00 0.55 C ATOM 1290 C GLU A 75 -4.704 -14.053 -15.019 1.00 0.53 C ATOM 1291 O GLU A 75 -5.230 -15.006 -14.445 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.424 -13.344 -17.409 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.655 -14.629 -17.657 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.736 -14.516 -18.853 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -1.740 -13.764 -18.776 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -3.017 -15.162 -19.882 1.00 1.31 O ATOM 0 H GLU A 75 -5.583 -11.360 -16.650 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.257 -13.996 -16.450 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.995 -13.099 -18.305 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.711 -12.534 -17.254 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.070 -14.878 -16.772 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.357 -15.447 -17.815 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.540 -13.544 -14.643 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.717 -14.213 -13.661 1.00 0.51 C ATOM 1305 C LYS A 76 -3.242 -14.004 -12.254 1.00 0.55 C ATOM 1306 O LYS A 76 -3.160 -14.903 -11.424 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.275 -13.738 -13.778 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.642 -14.043 -15.130 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.632 -15.537 -15.424 1.00 1.43 C ATOM 1310 CE LYS A 76 0.171 -16.308 -14.388 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.210 -17.762 -14.682 1.00 1.13 N ATOM 0 H LYS A 76 -3.150 -12.673 -15.004 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.754 -15.284 -13.862 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.240 -12.663 -13.604 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.681 -14.208 -12.994 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.191 -13.522 -15.914 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.379 -13.662 -15.148 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.656 -15.911 -15.443 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.210 -15.710 -16.414 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.188 -15.918 -14.354 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.264 -16.150 -13.401 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 1.100 -18.165 -14.325 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.593 -18.232 -14.218 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.151 -17.910 -15.710 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.797 -12.830 -11.992 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.374 -12.543 -10.689 1.00 0.64 C ATOM 1327 C ALA A 77 -5.541 -13.483 -10.415 1.00 0.65 C ATOM 1328 O ALA A 77 -5.793 -13.864 -9.273 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.818 -11.089 -10.609 1.00 0.68 C ATOM 0 H ALA A 77 -3.860 -12.064 -12.662 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.614 -12.705 -9.925 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.247 -10.893 -9.626 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.959 -10.437 -10.766 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.566 -10.894 -11.377 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.232 -13.878 -11.481 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.317 -14.844 -11.384 1.00 0.67 C ATOM 1337 C ALA A 78 -6.780 -16.202 -10.941 1.00 0.67 C ATOM 1338 O ALA A 78 -7.424 -16.920 -10.171 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.026 -14.960 -12.728 1.00 0.66 C ATOM 0 H ALA A 78 -6.056 -13.540 -12.427 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.033 -14.501 -10.638 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.837 -15.684 -12.650 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.432 -13.989 -13.010 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.316 -15.290 -13.486 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.582 -16.533 -11.408 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.960 -17.812 -11.092 1.00 0.65 C ATOM 1347 C GLU A 79 -4.338 -17.774 -9.705 1.00 0.66 C ATOM 1348 O GLU A 79 -4.267 -18.793 -9.019 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.887 -18.153 -12.121 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.313 -17.878 -13.550 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.350 -18.452 -14.563 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.203 -18.776 -14.185 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -3.730 -18.581 -15.745 1.00 1.26 O ATOM 0 H GLU A 79 -5.020 -15.930 -12.009 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.734 -18.579 -11.115 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.988 -17.578 -11.901 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.624 -19.206 -12.025 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.304 -18.299 -13.717 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.394 -16.801 -13.700 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.913 -16.587 -9.291 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.319 -16.394 -7.981 1.00 0.70 C ATOM 1362 C LEU A 80 -4.402 -16.329 -6.909 1.00 0.74 C ATOM 1363 O LEU A 80 -4.209 -16.802 -5.787 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.465 -15.130 -8.003 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.345 -15.172 -9.048 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.688 -13.817 -9.216 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.322 -16.224 -8.671 1.00 0.98 C ATOM 0 H LEU A 80 -3.971 -15.738 -9.853 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.677 -17.240 -7.735 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.106 -14.271 -8.202 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.026 -14.979 -7.017 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.787 -15.438 -10.008 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.101 -13.886 -9.965 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.432 -13.089 -9.539 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.259 -13.500 -8.265 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.470 -16.246 -9.420 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.106 -15.983 -7.698 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.804 -17.200 -8.624 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.547 -15.760 -7.268 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.715 -15.784 -6.399 1.00 0.79 C ATOM 1381 C LYS A 81 -7.157 -17.225 -6.167 1.00 0.77 C ATOM 1382 O LYS A 81 -7.417 -17.636 -5.033 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.865 -14.977 -7.019 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.219 -15.228 -6.366 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.250 -14.772 -4.915 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.493 -15.280 -4.200 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.747 -14.825 -4.860 1.00 2.12 N ATOM 0 H LYS A 81 -5.690 -15.277 -8.155 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.449 -15.331 -5.444 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.630 -13.915 -6.948 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.934 -15.218 -8.080 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -9.993 -14.704 -6.926 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.453 -16.291 -6.416 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -8.359 -15.132 -4.400 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.224 -13.683 -4.874 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.474 -16.369 -4.172 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.482 -14.934 -3.166 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.564 -15.093 -4.275 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.725 -13.791 -4.971 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.829 -15.272 -5.795 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.215 -17.994 -7.246 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.646 -19.383 -7.163 1.00 0.75 C ATOM 1403 C ASN A 82 -6.585 -20.224 -6.476 1.00 0.74 C ATOM 1404 O ASN A 82 -6.884 -21.296 -5.957 1.00 0.80 O ATOM 1405 CB ASN A 82 -7.954 -19.937 -8.551 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.577 -21.320 -8.509 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -9.792 -21.461 -8.373 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -7.753 -22.350 -8.639 1.00 1.54 N ATOM 0 H ASN A 82 -6.970 -17.681 -8.185 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.560 -19.425 -6.570 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.630 -19.255 -9.067 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.034 -19.976 -9.134 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -8.120 -23.301 -8.628 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -6.752 -22.191 -8.750 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.360 -19.737 -6.441 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.327 -20.423 -5.725 1.00 0.72 C ATOM 1417 C LEU A 83 -4.643 -20.396 -4.239 1.00 0.74 C ATOM 1418 O LEU A 83 -4.773 -21.443 -3.604 1.00 0.77 O ATOM 1419 CB LEU A 83 -2.983 -19.770 -6.013 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.209 -20.333 -7.213 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -0.853 -19.656 -7.329 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.037 -21.842 -7.096 1.00 1.37 C ATOM 0 H LEU A 83 -5.067 -18.874 -6.900 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.275 -21.462 -6.049 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.146 -18.705 -6.177 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.357 -19.863 -5.125 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.786 -20.127 -8.115 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.314 -20.065 -8.184 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -0.992 -18.584 -7.466 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.279 -19.834 -6.420 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.485 -22.213 -7.960 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.486 -22.076 -6.185 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.017 -22.318 -7.059 1.00 1.37 H new ATOM 1434 N LYS A 84 -4.808 -19.192 -3.706 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.155 -19.009 -2.297 1.00 0.81 C ATOM 1436 C LYS A 84 -6.414 -19.803 -1.936 1.00 0.83 C ATOM 1437 O LYS A 84 -6.449 -20.507 -0.925 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.374 -17.524 -1.991 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.703 -17.247 -0.532 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.082 -15.791 -0.306 1.00 1.19 C ATOM 1441 CE LYS A 84 -6.483 -15.541 1.138 1.00 1.54 C ATOM 1442 NZ LYS A 84 -6.971 -14.152 1.351 1.00 2.27 N ATOM 0 H LYS A 84 -4.707 -18.322 -4.229 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.326 -19.380 -1.695 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.477 -16.969 -2.265 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.184 -17.148 -2.616 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.525 -17.890 -0.216 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.844 -17.500 0.089 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.241 -15.149 -0.568 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.906 -15.521 -0.966 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.263 -16.247 1.425 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -5.629 -15.728 1.789 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -7.234 -14.026 2.349 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -6.219 -13.478 1.103 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -7.802 -13.980 0.750 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.441 -19.680 -2.767 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.716 -20.369 -2.546 1.00 0.91 C ATOM 1458 C ASP A 85 -8.565 -21.887 -2.577 1.00 0.90 C ATOM 1459 O ASP A 85 -9.187 -22.588 -1.778 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.724 -19.951 -3.617 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.078 -20.607 -3.435 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -11.893 -20.090 -2.646 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.339 -21.636 -4.092 1.00 2.52 O ATOM 0 H ASP A 85 -7.419 -19.105 -3.609 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.068 -20.083 -1.555 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.844 -18.868 -3.594 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.330 -20.207 -4.600 1.00 0.98 H new ATOM 1468 N SER A 86 -7.730 -22.400 -3.463 1.00 0.86 N ATOM 1469 CA SER A 86 -7.562 -23.844 -3.579 1.00 0.90 C ATOM 1470 C SER A 86 -6.602 -24.387 -2.519 1.00 0.84 C ATOM 1471 O SER A 86 -6.464 -25.600 -2.357 1.00 0.96 O ATOM 1472 CB SER A 86 -7.070 -24.212 -4.978 1.00 0.97 C ATOM 1473 OG SER A 86 -7.965 -23.727 -5.968 1.00 1.52 O ATOM 0 H SER A 86 -7.162 -21.849 -4.107 1.00 0.86 H new ATOM 0 HA SER A 86 -8.536 -24.304 -3.412 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.077 -23.793 -5.142 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.977 -25.295 -5.063 1.00 0.97 H new ATOM 0 HG SER A 86 -7.819 -22.767 -6.099 1.00 1.52 H new ATOM 1479 N GLY A 87 -5.955 -23.488 -1.790 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.135 -23.904 -0.665 1.00 0.88 C ATOM 1481 C GLY A 87 -3.654 -23.769 -0.934 1.00 0.82 C ATOM 1482 O GLY A 87 -2.843 -24.398 -0.255 1.00 0.92 O ATOM 0 H GLY A 87 -5.982 -22.482 -1.955 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.396 -23.307 0.209 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.362 -24.942 -0.421 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.287 -22.969 -1.923 1.00 0.76 N ATOM 1487 CA ALA A 88 -1.884 -22.644 -2.123 1.00 0.76 C ATOM 1488 C ALA A 88 -1.388 -21.889 -0.900 1.00 0.80 C ATOM 1489 O ALA A 88 -2.039 -20.971 -0.397 1.00 0.83 O ATOM 1490 CB ALA A 88 -1.702 -21.797 -3.370 1.00 0.76 C ATOM 0 H ALA A 88 -3.929 -22.539 -2.589 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.311 -23.562 -2.256 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -0.645 -21.565 -3.501 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.063 -22.347 -4.239 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.267 -20.870 -3.266 1.00 0.76 H new ATOM 1496 N SER A 89 -0.233 -22.313 -0.433 1.00 0.81 N ATOM 1497 CA SER A 89 0.430 -21.673 0.685 1.00 0.86 C ATOM 1498 C SER A 89 1.088 -20.385 0.205 1.00 0.78 C ATOM 1499 O SER A 89 1.207 -20.152 -1.002 1.00 0.77 O ATOM 1500 CB SER A 89 1.466 -22.624 1.294 1.00 0.93 C ATOM 1501 OG SER A 89 1.961 -22.127 2.527 1.00 1.60 O ATOM 0 H SER A 89 0.273 -23.111 -0.817 1.00 0.81 H new ATOM 0 HA SER A 89 -0.299 -21.430 1.458 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.016 -23.604 1.449 1.00 0.93 H new ATOM 0 HB3 SER A 89 2.292 -22.760 0.596 1.00 0.93 H new ATOM 0 HG SER A 89 2.823 -21.686 2.379 1.00 1.60 H new ATOM 1507 N LYS A 90 1.521 -19.556 1.147 1.00 0.76 N ATOM 1508 CA LYS A 90 2.119 -18.267 0.822 1.00 0.74 C ATOM 1509 C LYS A 90 3.407 -18.426 0.022 1.00 0.69 C ATOM 1510 O LYS A 90 3.919 -17.458 -0.516 1.00 0.67 O ATOM 1511 CB LYS A 90 2.392 -17.462 2.095 1.00 0.81 C ATOM 1512 CG LYS A 90 1.137 -16.890 2.736 1.00 1.29 C ATOM 1513 CD LYS A 90 1.457 -16.079 3.985 1.00 1.77 C ATOM 1514 CE LYS A 90 1.992 -16.956 5.105 1.00 2.22 C ATOM 1515 NZ LYS A 90 2.324 -16.166 6.319 1.00 2.96 N ATOM 0 H LYS A 90 1.469 -19.755 2.146 1.00 0.76 H new ATOM 0 HA LYS A 90 1.403 -17.726 0.203 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.899 -18.102 2.817 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.074 -16.645 1.859 1.00 0.81 H new ATOM 0 HG2 LYS A 90 0.617 -16.258 2.016 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.459 -17.703 2.995 1.00 1.29 H new ATOM 0 HD2 LYS A 90 2.192 -15.311 3.742 1.00 1.77 H new ATOM 0 HD3 LYS A 90 0.558 -15.564 4.324 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.251 -17.714 5.357 1.00 2.22 H new ATOM 0 HE3 LYS A 90 2.882 -17.482 4.760 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 2.685 -16.802 7.059 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 3.050 -15.459 6.085 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 1.469 -15.684 6.664 1.00 2.96 H new ATOM 1529 N GLU A 91 3.923 -19.646 -0.059 1.00 0.71 N ATOM 1530 CA GLU A 91 5.122 -19.910 -0.839 1.00 0.70 C ATOM 1531 C GLU A 91 4.777 -20.092 -2.317 1.00 0.67 C ATOM 1532 O GLU A 91 5.456 -19.565 -3.191 1.00 0.67 O ATOM 1533 CB GLU A 91 5.857 -21.136 -0.311 1.00 0.73 C ATOM 1534 CG GLU A 91 6.453 -20.938 1.070 1.00 1.30 C ATOM 1535 CD GLU A 91 5.410 -20.884 2.171 1.00 1.74 C ATOM 1536 OE1 GLU A 91 4.504 -21.741 2.183 1.00 2.34 O ATOM 1537 OE2 GLU A 91 5.495 -19.987 3.034 1.00 2.10 O ATOM 0 H GLU A 91 3.530 -20.465 0.405 1.00 0.71 H new ATOM 0 HA GLU A 91 5.782 -19.048 -0.741 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.167 -21.979 -0.282 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.653 -21.400 -1.007 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.149 -21.751 1.278 1.00 1.30 H new ATOM 0 HG3 GLU A 91 7.030 -20.013 1.080 1.00 1.30 H new ATOM 1544 N GLU A 92 3.725 -20.863 -2.576 1.00 0.66 N ATOM 1545 CA GLU A 92 3.157 -21.034 -3.898 1.00 0.65 C ATOM 1546 C GLU A 92 2.784 -19.686 -4.476 1.00 0.60 C ATOM 1547 O GLU A 92 3.028 -19.414 -5.637 1.00 0.57 O ATOM 1548 CB GLU A 92 1.910 -21.890 -3.791 1.00 0.69 C ATOM 1549 CG GLU A 92 2.141 -23.230 -3.131 1.00 0.74 C ATOM 1550 CD GLU A 92 2.996 -24.156 -3.973 1.00 1.06 C ATOM 1551 OE1 GLU A 92 2.481 -24.706 -4.968 1.00 1.10 O ATOM 1552 OE2 GLU A 92 4.189 -24.329 -3.654 1.00 1.45 O ATOM 0 H GLU A 92 3.238 -21.395 -1.854 1.00 0.66 H new ATOM 0 HA GLU A 92 3.889 -21.514 -4.548 1.00 0.65 H new ATOM 0 HB2 GLU A 92 1.154 -21.344 -3.227 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.506 -22.053 -4.790 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.621 -23.077 -2.165 1.00 0.74 H new ATOM 0 HG3 GLU A 92 1.180 -23.706 -2.937 1.00 0.74 H new ATOM 1559 N LEU A 93 2.223 -18.835 -3.637 1.00 0.61 N ATOM 1560 CA LEU A 93 1.972 -17.457 -4.032 1.00 0.60 C ATOM 1561 C LEU A 93 3.313 -16.763 -4.154 1.00 0.61 C ATOM 1562 O LEU A 93 3.561 -16.142 -5.170 1.00 0.64 O ATOM 1563 CB LEU A 93 1.020 -16.785 -3.045 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.398 -17.366 -3.092 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.266 -16.812 -1.984 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.039 -17.090 -4.444 1.00 1.07 C ATOM 0 H LEU A 93 1.934 -19.068 -2.687 1.00 0.61 H new ATOM 0 HA LEU A 93 1.471 -17.401 -4.998 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.417 -16.891 -2.036 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.977 -15.717 -3.260 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.316 -18.443 -2.946 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.263 -17.247 -2.051 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -0.826 -17.060 -1.018 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.336 -15.729 -2.084 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.045 -17.509 -4.462 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.091 -16.014 -4.609 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.441 -17.550 -5.231 1.00 1.07 H new ATOM 1578 N LYS A 94 4.220 -16.902 -3.216 1.00 0.61 N ATOM 1579 CA LYS A 94 5.414 -16.067 -3.225 1.00 0.61 C ATOM 1580 C LYS A 94 6.273 -16.354 -4.440 1.00 0.66 C ATOM 1581 O LYS A 94 6.899 -15.456 -5.004 1.00 0.72 O ATOM 1582 CB LYS A 94 6.225 -16.271 -1.941 1.00 0.64 C ATOM 1583 CG LYS A 94 7.560 -15.548 -1.920 1.00 0.69 C ATOM 1584 CD LYS A 94 8.270 -15.722 -0.587 1.00 1.16 C ATOM 1585 CE LYS A 94 9.728 -15.295 -0.664 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.888 -13.910 -1.179 1.00 2.06 N ATOM 0 H LYS A 94 4.164 -17.570 -2.447 1.00 0.61 H new ATOM 0 HA LYS A 94 5.093 -15.027 -3.274 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.630 -15.934 -1.092 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.401 -17.338 -1.803 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.193 -15.928 -2.722 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.403 -14.487 -2.113 1.00 0.69 H new ATOM 0 HD2 LYS A 94 7.759 -15.135 0.176 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.213 -16.766 -0.278 1.00 1.16 H new ATOM 0 HE2 LYS A 94 10.177 -15.365 0.327 1.00 1.38 H new ATOM 0 HE3 LYS A 94 10.272 -15.985 -1.310 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.871 -13.599 -1.039 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.659 -13.888 -2.193 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.247 -13.272 -0.665 1.00 2.06 H new ATOM 1600 N ALA A 95 6.289 -17.603 -4.843 1.00 0.67 N ATOM 1601 CA ALA A 95 7.128 -18.013 -5.938 1.00 0.73 C ATOM 1602 C ALA A 95 6.421 -17.932 -7.284 1.00 0.73 C ATOM 1603 O ALA A 95 6.956 -17.378 -8.240 1.00 0.93 O ATOM 1604 CB ALA A 95 7.664 -19.417 -5.701 1.00 0.77 C ATOM 0 H ALA A 95 5.731 -18.349 -4.428 1.00 0.67 H new ATOM 0 HA ALA A 95 7.962 -17.312 -5.977 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.296 -19.711 -6.539 1.00 0.77 H new ATOM 0 HB2 ALA A 95 8.249 -19.433 -4.781 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.831 -20.114 -5.613 1.00 0.77 H new ATOM 1610 N LYS A 96 5.216 -18.509 -7.363 1.00 0.70 N ATOM 1611 CA LYS A 96 4.454 -18.480 -8.607 1.00 0.76 C ATOM 1612 C LYS A 96 4.200 -17.057 -9.125 1.00 0.58 C ATOM 1613 O LYS A 96 4.046 -16.833 -10.329 1.00 0.55 O ATOM 1614 CB LYS A 96 3.123 -19.195 -8.439 1.00 1.02 C ATOM 1615 CG LYS A 96 3.230 -20.705 -8.540 1.00 1.75 C ATOM 1616 CD LYS A 96 3.657 -21.135 -9.933 1.00 2.07 C ATOM 1617 CE LYS A 96 2.517 -21.024 -10.936 1.00 2.92 C ATOM 1618 NZ LYS A 96 1.426 -21.995 -10.650 1.00 3.11 N ATOM 0 H LYS A 96 4.757 -18.993 -6.591 1.00 0.70 H new ATOM 0 HA LYS A 96 5.067 -18.996 -9.346 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.699 -18.933 -7.470 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.428 -18.836 -9.199 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.949 -21.071 -7.807 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.269 -21.157 -8.296 1.00 1.75 H new ATOM 0 HD2 LYS A 96 4.492 -20.518 -10.263 1.00 2.07 H new ATOM 0 HD3 LYS A 96 4.014 -22.164 -9.902 1.00 2.07 H new ATOM 0 HE2 LYS A 96 2.115 -20.011 -10.917 1.00 2.92 H new ATOM 0 HE3 LYS A 96 2.901 -21.196 -11.942 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 0.831 -22.107 -11.495 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 1.838 -22.914 -10.392 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 0.846 -21.643 -9.862 1.00 3.11 H new ATOM 1632 N VAL A 97 4.168 -16.099 -8.189 1.00 0.62 N ATOM 1633 CA VAL A 97 4.019 -14.691 -8.523 1.00 0.57 C ATOM 1634 C VAL A 97 5.283 -14.184 -9.206 1.00 0.54 C ATOM 1635 O VAL A 97 5.218 -13.401 -10.154 1.00 0.59 O ATOM 1636 CB VAL A 97 3.740 -13.835 -7.270 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.821 -12.357 -7.587 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.384 -14.173 -6.693 1.00 0.93 C ATOM 0 H VAL A 97 4.245 -16.284 -7.189 1.00 0.62 H new ATOM 0 HA VAL A 97 3.167 -14.600 -9.196 1.00 0.57 H new ATOM 0 HB VAL A 97 4.507 -14.064 -6.530 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.620 -11.780 -6.685 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.819 -12.118 -7.956 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.083 -12.107 -8.349 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.202 -13.561 -5.810 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.612 -13.975 -7.437 1.00 0.93 H new ATOM 0 HG23 VAL A 97 2.359 -15.227 -6.416 1.00 0.93 H new ATOM 1648 N GLU A 98 6.432 -14.648 -8.727 1.00 0.53 N ATOM 1649 CA GLU A 98 7.706 -14.309 -9.341 1.00 0.57 C ATOM 1650 C GLU A 98 7.734 -14.769 -10.784 1.00 0.52 C ATOM 1651 O GLU A 98 8.235 -14.071 -11.652 1.00 0.53 O ATOM 1652 CB GLU A 98 8.871 -14.935 -8.576 1.00 0.68 C ATOM 1653 CG GLU A 98 9.228 -14.198 -7.301 1.00 0.81 C ATOM 1654 CD GLU A 98 9.645 -12.765 -7.559 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.713 -12.548 -8.169 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.907 -11.844 -7.157 1.00 2.03 O ATOM 0 H GLU A 98 6.505 -15.260 -7.915 1.00 0.53 H new ATOM 0 HA GLU A 98 7.815 -13.225 -9.307 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.620 -15.967 -8.331 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.746 -14.965 -9.225 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.372 -14.208 -6.627 1.00 0.81 H new ATOM 0 HG3 GLU A 98 10.038 -14.724 -6.795 1.00 0.81 H new ATOM 1663 N GLU A 99 7.160 -15.935 -11.043 1.00 0.49 N ATOM 1664 CA GLU A 99 7.127 -16.464 -12.400 1.00 0.49 C ATOM 1665 C GLU A 99 6.254 -15.593 -13.289 1.00 0.48 C ATOM 1666 O GLU A 99 6.451 -15.536 -14.502 1.00 0.51 O ATOM 1667 CB GLU A 99 6.644 -17.910 -12.413 1.00 0.52 C ATOM 1668 CG GLU A 99 7.529 -18.833 -11.597 1.00 0.91 C ATOM 1669 CD GLU A 99 7.211 -20.295 -11.813 1.00 1.68 C ATOM 1670 OE1 GLU A 99 7.527 -20.821 -12.902 1.00 1.82 O ATOM 1671 OE2 GLU A 99 6.648 -20.928 -10.900 1.00 2.48 O ATOM 0 H GLU A 99 6.716 -16.527 -10.341 1.00 0.49 H new ATOM 0 HA GLU A 99 8.143 -16.450 -12.795 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.627 -17.952 -12.024 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.606 -18.266 -13.442 1.00 0.52 H new ATOM 0 HG2 GLU A 99 8.572 -18.651 -11.856 1.00 0.91 H new ATOM 0 HG3 GLU A 99 7.417 -18.594 -10.539 1.00 0.91 H new ATOM 1678 N ALA A 100 5.293 -14.904 -12.688 1.00 0.49 N ATOM 1679 CA ALA A 100 4.480 -13.953 -13.420 1.00 0.55 C ATOM 1680 C ALA A 100 5.235 -12.629 -13.613 1.00 0.54 C ATOM 1681 O ALA A 100 5.409 -12.161 -14.737 1.00 0.58 O ATOM 1682 CB ALA A 100 3.170 -13.738 -12.690 1.00 0.63 C ATOM 0 H ALA A 100 5.061 -14.988 -11.698 1.00 0.49 H new ATOM 0 HA ALA A 100 4.264 -14.353 -14.411 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.559 -13.023 -13.241 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.637 -14.686 -12.612 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.370 -13.351 -11.691 1.00 0.63 H new ATOM 1688 N LEU A 101 5.676 -12.044 -12.503 1.00 0.51 N ATOM 1689 CA LEU A 101 6.437 -10.804 -12.489 1.00 0.53 C ATOM 1690 C LEU A 101 7.800 -10.905 -13.180 1.00 0.51 C ATOM 1691 O LEU A 101 8.457 -9.889 -13.390 1.00 0.53 O ATOM 1692 CB LEU A 101 6.612 -10.359 -11.041 1.00 0.53 C ATOM 1693 CG LEU A 101 5.462 -9.521 -10.486 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.120 -10.219 -10.618 1.00 1.40 C ATOM 1695 CD2 LEU A 101 5.726 -9.150 -9.037 1.00 1.28 C ATOM 0 H LEU A 101 5.510 -12.427 -11.573 1.00 0.51 H new ATOM 0 HA LEU A 101 5.872 -10.069 -13.062 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.733 -11.244 -10.416 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.534 -9.783 -10.961 1.00 0.53 H new ATOM 0 HG LEU A 101 5.411 -8.612 -11.085 1.00 0.66 H new ATOM 0 HD11 LEU A 101 3.336 -9.581 -10.209 1.00 1.40 H new ATOM 0 HD12 LEU A 101 3.915 -10.417 -11.670 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.144 -11.161 -10.070 1.00 1.40 H new ATOM 0 HD21 LEU A 101 4.897 -8.553 -8.657 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.823 -10.057 -8.441 1.00 1.28 H new ATOM 0 HD23 LEU A 101 6.648 -8.573 -8.971 1.00 1.28 H new ATOM 1707 N HIS A 102 8.251 -12.105 -13.506 1.00 0.51 N ATOM 1708 CA HIS A 102 9.432 -12.236 -14.348 1.00 0.53 C ATOM 1709 C HIS A 102 8.979 -12.258 -15.800 1.00 0.56 C ATOM 1710 O HIS A 102 9.527 -11.543 -16.640 1.00 0.57 O ATOM 1711 CB HIS A 102 10.257 -13.476 -13.991 1.00 0.55 C ATOM 1712 CG HIS A 102 10.896 -13.409 -12.635 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.563 -14.470 -12.072 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.931 -12.418 -11.713 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.979 -14.138 -10.866 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.607 -12.896 -10.616 1.00 2.14 N ATOM 0 H HIS A 102 7.830 -12.985 -13.209 1.00 0.51 H new ATOM 0 HA HIS A 102 10.093 -11.385 -14.182 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.613 -14.354 -14.036 1.00 0.55 H new ATOM 0 HB3 HIS A 102 11.035 -13.612 -14.742 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.505 -11.431 -11.820 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.533 -14.776 -10.193 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.790 -12.380 -9.756 1.00 2.14 H new ATOM 1725 N ALA A 103 7.986 -13.096 -16.093 1.00 0.58 N ATOM 1726 CA ALA A 103 7.515 -13.311 -17.461 1.00 0.61 C ATOM 1727 C ALA A 103 6.877 -12.061 -18.069 1.00 0.61 C ATOM 1728 O ALA A 103 6.525 -12.054 -19.247 1.00 0.64 O ATOM 1729 CB ALA A 103 6.532 -14.469 -17.491 1.00 0.63 C ATOM 0 H ALA A 103 7.487 -13.643 -15.392 1.00 0.58 H new ATOM 0 HA ALA A 103 8.387 -13.549 -18.070 1.00 0.61 H new ATOM 0 HB1 ALA A 103 6.184 -14.625 -18.512 1.00 0.63 H new ATOM 0 HB2 ALA A 103 7.024 -15.373 -17.133 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.681 -14.241 -16.849 1.00 0.63 H new ATOM 1735 N VAL A 104 6.725 -11.008 -17.282 1.00 0.60 N ATOM 1736 CA VAL A 104 6.151 -9.778 -17.757 1.00 0.63 C ATOM 1737 C VAL A 104 7.186 -8.989 -18.561 1.00 0.76 C ATOM 1738 O VAL A 104 8.380 -8.999 -18.248 1.00 1.68 O ATOM 1739 CB VAL A 104 5.645 -8.939 -16.579 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.785 -8.675 -15.639 1.00 0.60 C ATOM 1741 CG2 VAL A 104 5.021 -7.637 -17.041 1.00 0.51 C ATOM 0 H VAL A 104 6.998 -10.991 -16.299 1.00 0.60 H new ATOM 0 HA VAL A 104 5.307 -10.013 -18.406 1.00 0.63 H new ATOM 0 HB VAL A 104 4.865 -9.500 -16.064 1.00 0.57 H new ATOM 0 HG11 VAL A 104 6.432 -8.078 -14.798 1.00 0.60 H new ATOM 0 HG12 VAL A 104 7.180 -9.622 -15.272 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.571 -8.133 -16.164 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.675 -7.072 -16.175 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.762 -7.051 -17.584 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.176 -7.851 -17.696 1.00 0.51 H new ATOM 1751 N THR A 105 6.720 -8.315 -19.592 1.00 0.77 N ATOM 1752 CA THR A 105 7.629 -7.533 -20.415 1.00 0.79 C ATOM 1753 C THR A 105 7.030 -6.195 -20.843 1.00 0.75 C ATOM 1754 O THR A 105 7.669 -5.439 -21.573 1.00 0.95 O ATOM 1755 CB THR A 105 8.044 -8.317 -21.677 1.00 0.94 C ATOM 1756 OG1 THR A 105 6.883 -8.880 -22.306 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.035 -9.427 -21.352 1.00 1.03 C ATOM 0 H THR A 105 5.741 -8.289 -19.878 1.00 0.77 H new ATOM 0 HA THR A 105 8.502 -7.335 -19.794 1.00 0.79 H new ATOM 0 HB THR A 105 8.532 -7.617 -22.355 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.153 -9.375 -23.108 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.302 -9.955 -22.267 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.932 -8.995 -20.907 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.581 -10.126 -20.649 1.00 1.03 H new ATOM 1765 N ASP A 106 5.827 -5.882 -20.385 1.00 0.77 N ATOM 1766 CA ASP A 106 5.287 -4.541 -20.570 1.00 0.79 C ATOM 1767 C ASP A 106 5.841 -3.598 -19.516 1.00 0.73 C ATOM 1768 O ASP A 106 5.602 -3.770 -18.322 1.00 0.72 O ATOM 1769 CB ASP A 106 3.765 -4.555 -20.441 1.00 0.79 C ATOM 1770 CG ASP A 106 3.136 -3.201 -20.711 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.130 -2.347 -19.800 1.00 2.07 O ATOM 1772 OD2 ASP A 106 2.620 -2.990 -21.829 1.00 1.38 O ATOM 0 H ASP A 106 5.212 -6.527 -19.889 1.00 0.77 H new ATOM 0 HA ASP A 106 5.574 -4.202 -21.565 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.353 -5.286 -21.137 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.494 -4.882 -19.437 1.00 0.79 H new ATOM 1777 N GLU A 107 6.618 -2.630 -19.979 1.00 0.71 N ATOM 1778 CA GLU A 107 7.481 -1.839 -19.114 1.00 0.69 C ATOM 1779 C GLU A 107 6.718 -1.093 -18.021 1.00 0.66 C ATOM 1780 O GLU A 107 7.162 -1.042 -16.876 1.00 0.63 O ATOM 1781 CB GLU A 107 8.307 -0.858 -19.945 1.00 0.73 C ATOM 1782 CG GLU A 107 9.449 -0.220 -19.168 1.00 1.63 C ATOM 1783 CD GLU A 107 10.436 -1.245 -18.636 1.00 2.35 C ATOM 1784 OE1 GLU A 107 10.121 -1.928 -17.643 1.00 3.18 O ATOM 1785 OE2 GLU A 107 11.537 -1.367 -19.209 1.00 2.65 O ATOM 0 H GLU A 107 6.668 -2.371 -20.964 1.00 0.71 H new ATOM 0 HA GLU A 107 8.142 -2.542 -18.608 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.714 -1.380 -20.811 1.00 0.73 H new ATOM 0 HB3 GLU A 107 7.652 -0.073 -20.324 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.974 0.484 -19.813 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.042 0.353 -18.335 1.00 1.63 H new ATOM 1792 N GLU A 108 5.569 -0.521 -18.374 1.00 0.67 N ATOM 1793 CA GLU A 108 4.730 0.165 -17.396 1.00 0.66 C ATOM 1794 C GLU A 108 4.295 -0.794 -16.290 1.00 0.58 C ATOM 1795 O GLU A 108 4.250 -0.421 -15.115 1.00 0.54 O ATOM 1796 CB GLU A 108 3.502 0.768 -18.074 1.00 0.76 C ATOM 1797 CG GLU A 108 3.815 1.937 -18.993 1.00 1.46 C ATOM 1798 CD GLU A 108 2.601 2.390 -19.776 1.00 2.09 C ATOM 1799 OE1 GLU A 108 1.835 3.235 -19.264 1.00 2.40 O ATOM 1800 OE2 GLU A 108 2.396 1.895 -20.906 1.00 2.78 O ATOM 0 H GLU A 108 5.200 -0.519 -19.325 1.00 0.67 H new ATOM 0 HA GLU A 108 5.318 0.968 -16.951 1.00 0.66 H new ATOM 0 HB2 GLU A 108 2.999 -0.009 -18.650 1.00 0.76 H new ATOM 0 HB3 GLU A 108 2.802 1.099 -17.307 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.195 2.770 -18.402 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.606 1.650 -19.686 1.00 1.46 H new ATOM 1807 N LYS A 109 3.957 -2.026 -16.667 1.00 0.59 N ATOM 1808 CA LYS A 109 3.614 -3.062 -15.701 1.00 0.55 C ATOM 1809 C LYS A 109 4.797 -3.328 -14.765 1.00 0.51 C ATOM 1810 O LYS A 109 4.652 -3.377 -13.540 1.00 0.48 O ATOM 1811 CB LYS A 109 3.200 -4.346 -16.438 1.00 0.58 C ATOM 1812 CG LYS A 109 1.918 -4.201 -17.251 1.00 0.65 C ATOM 1813 CD LYS A 109 1.479 -5.526 -17.861 1.00 1.22 C ATOM 1814 CE LYS A 109 0.152 -5.397 -18.594 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.182 -4.341 -19.643 1.00 1.81 N ATOM 0 H LYS A 109 3.914 -2.330 -17.640 1.00 0.59 H new ATOM 0 HA LYS A 109 2.773 -2.723 -15.096 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.009 -4.649 -17.103 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.069 -5.146 -15.710 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.124 -3.815 -16.611 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.072 -3.469 -18.044 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.244 -5.879 -18.553 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.389 -6.276 -17.075 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.101 -6.353 -19.052 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.636 -5.169 -17.876 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.727 -4.327 -20.147 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.346 -3.415 -19.199 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.948 -4.543 -20.317 1.00 1.81 H new ATOM 1829 N LYS A 110 5.978 -3.449 -15.348 1.00 0.53 N ATOM 1830 CA LYS A 110 7.186 -3.765 -14.592 1.00 0.53 C ATOM 1831 C LYS A 110 7.647 -2.589 -13.733 1.00 0.51 C ATOM 1832 O LYS A 110 8.423 -2.743 -12.789 1.00 0.51 O ATOM 1833 CB LYS A 110 8.311 -4.133 -15.555 1.00 0.56 C ATOM 1834 CG LYS A 110 8.010 -5.325 -16.439 1.00 0.62 C ATOM 1835 CD LYS A 110 8.891 -5.354 -17.685 1.00 0.80 C ATOM 1836 CE LYS A 110 10.375 -5.505 -17.370 1.00 0.81 C ATOM 1837 NZ LYS A 110 10.988 -4.263 -16.821 1.00 1.14 N ATOM 0 H LYS A 110 6.130 -3.333 -16.350 1.00 0.53 H new ATOM 0 HA LYS A 110 6.949 -4.601 -13.934 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.528 -3.272 -16.187 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.213 -4.341 -14.979 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.157 -6.243 -15.871 1.00 0.62 H new ATOM 0 HG3 LYS A 110 6.962 -5.299 -16.737 1.00 0.62 H new ATOM 0 HD2 LYS A 110 8.577 -6.179 -18.325 1.00 0.80 H new ATOM 0 HD3 LYS A 110 8.738 -4.435 -18.251 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.507 -6.315 -16.653 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.905 -5.793 -18.278 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.908 -4.099 -17.277 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 10.360 -3.455 -17.006 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 11.124 -4.367 -15.795 1.00 1.14 H new ATOM 1851 N GLN A 111 7.121 -1.422 -14.070 1.00 0.51 N ATOM 1852 CA GLN A 111 7.306 -0.249 -13.229 1.00 0.51 C ATOM 1853 C GLN A 111 6.610 -0.451 -11.885 1.00 0.50 C ATOM 1854 O GLN A 111 7.131 -0.062 -10.841 1.00 0.51 O ATOM 1855 CB GLN A 111 6.778 1.009 -13.916 1.00 0.52 C ATOM 1856 CG GLN A 111 6.933 2.267 -13.078 1.00 1.08 C ATOM 1857 CD GLN A 111 8.381 2.589 -12.764 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.040 3.323 -13.500 1.00 1.69 O ATOM 1859 NE2 GLN A 111 8.885 2.044 -11.669 1.00 1.61 N ATOM 0 H GLN A 111 6.568 -1.262 -14.912 1.00 0.51 H new ATOM 0 HA GLN A 111 8.375 -0.117 -13.059 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.303 1.145 -14.862 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.724 0.868 -14.154 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.485 3.108 -13.607 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.382 2.147 -12.145 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.305 1.441 -11.086 1.00 1.61 H new ATOM 0 HE22 GLN A 111 9.854 2.227 -11.408 1.00 1.61 H new ATOM 1868 N TYR A 112 5.445 -1.094 -11.910 1.00 0.50 N ATOM 1869 CA TYR A 112 4.716 -1.387 -10.679 1.00 0.49 C ATOM 1870 C TYR A 112 5.435 -2.477 -9.909 1.00 0.49 C ATOM 1871 O TYR A 112 5.426 -2.492 -8.685 1.00 0.50 O ATOM 1872 CB TYR A 112 3.278 -1.823 -10.963 1.00 0.49 C ATOM 1873 CG TYR A 112 2.397 -0.718 -11.501 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.447 0.565 -10.965 1.00 0.70 C ATOM 1875 CD2 TYR A 112 1.520 -0.959 -12.548 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.647 1.574 -11.458 1.00 0.82 C ATOM 1877 CE2 TYR A 112 0.716 0.047 -13.044 1.00 0.75 C ATOM 1878 CZ TYR A 112 0.782 1.312 -12.497 1.00 0.80 C ATOM 1879 OH TYR A 112 -0.021 2.314 -12.990 1.00 0.92 O ATOM 0 H TYR A 112 4.989 -1.420 -12.762 1.00 0.50 H new ATOM 0 HA TYR A 112 4.678 -0.473 -10.087 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.293 -2.644 -11.680 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.838 -2.210 -10.044 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.123 0.774 -10.149 1.00 0.70 H new ATOM 0 HD2 TYR A 112 1.466 -1.947 -12.981 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.699 2.565 -11.031 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.037 -0.155 -13.859 1.00 0.75 H new ATOM 0 HH TYR A 112 -0.571 1.963 -13.721 1.00 0.92 H new ATOM 1889 N ILE A 113 6.061 -3.388 -10.639 1.00 0.49 N ATOM 1890 CA ILE A 113 6.851 -4.439 -10.017 1.00 0.51 C ATOM 1891 C ILE A 113 8.019 -3.850 -9.215 1.00 0.53 C ATOM 1892 O ILE A 113 8.301 -4.279 -8.095 1.00 0.54 O ATOM 1893 CB ILE A 113 7.380 -5.430 -11.064 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.207 -6.194 -11.662 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.389 -6.389 -10.448 1.00 0.59 C ATOM 1896 CD1 ILE A 113 6.613 -7.150 -12.748 1.00 0.72 C ATOM 0 H ILE A 113 6.037 -3.421 -11.658 1.00 0.49 H new ATOM 0 HA ILE A 113 6.195 -4.977 -9.333 1.00 0.51 H new ATOM 0 HB ILE A 113 7.893 -4.878 -11.851 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.701 -6.747 -10.871 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.486 -5.482 -12.064 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.747 -7.080 -11.211 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.230 -5.824 -10.046 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.913 -6.951 -9.645 1.00 0.59 H new ATOM 0 HD11 ILE A 113 5.730 -7.662 -13.131 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.093 -6.599 -13.557 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.311 -7.884 -12.345 1.00 0.72 H new ATOM 1908 N ALA A 114 8.690 -2.857 -9.789 1.00 0.56 N ATOM 1909 CA ALA A 114 9.782 -2.178 -9.099 1.00 0.59 C ATOM 1910 C ALA A 114 9.236 -1.278 -7.996 1.00 0.59 C ATOM 1911 O ALA A 114 9.759 -1.261 -6.882 1.00 0.60 O ATOM 1912 CB ALA A 114 10.613 -1.376 -10.088 1.00 0.63 C ATOM 0 H ALA A 114 8.498 -2.505 -10.727 1.00 0.56 H new ATOM 0 HA ALA A 114 10.426 -2.928 -8.639 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.424 -0.875 -9.560 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.030 -2.046 -10.840 1.00 0.63 H new ATOM 0 HB3 ALA A 114 9.982 -0.632 -10.574 1.00 0.63 H new ATOM 1918 N ASP A 115 8.180 -0.549 -8.305 1.00 0.61 N ATOM 1919 CA ASP A 115 7.658 0.445 -7.374 1.00 0.66 C ATOM 1920 C ASP A 115 6.895 -0.195 -6.220 1.00 0.60 C ATOM 1921 O ASP A 115 7.248 -0.014 -5.058 1.00 0.59 O ATOM 1922 CB ASP A 115 6.763 1.448 -8.102 1.00 0.77 C ATOM 1923 CG ASP A 115 6.342 2.599 -7.208 1.00 1.03 C ATOM 1924 OD1 ASP A 115 7.231 3.227 -6.589 1.00 1.20 O ATOM 1925 OD2 ASP A 115 5.134 2.892 -7.142 1.00 1.73 O ATOM 0 H ASP A 115 7.668 -0.622 -9.184 1.00 0.61 H new ATOM 0 HA ASP A 115 8.516 0.970 -6.953 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.292 1.840 -8.970 1.00 0.77 H new ATOM 0 HB3 ASP A 115 5.875 0.936 -8.474 1.00 0.77 H new ATOM 1930 N PHE A 116 5.881 -0.965 -6.547 1.00 0.60 N ATOM 1931 CA PHE A 116 4.987 -1.494 -5.528 1.00 0.60 C ATOM 1932 C PHE A 116 5.347 -2.929 -5.144 1.00 0.56 C ATOM 1933 O PHE A 116 5.036 -3.357 -4.043 1.00 0.55 O ATOM 1934 CB PHE A 116 3.538 -1.417 -5.998 1.00 0.68 C ATOM 1935 CG PHE A 116 2.643 -0.582 -5.133 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.138 -1.093 -3.951 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.277 0.696 -5.521 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.281 -0.351 -3.168 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.423 1.449 -4.734 1.00 1.62 C ATOM 1940 CZ PHE A 116 0.922 0.922 -3.558 1.00 1.52 C ATOM 0 H PHE A 116 5.652 -1.240 -7.502 1.00 0.60 H new ATOM 0 HA PHE A 116 5.105 -0.877 -4.637 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.520 -1.015 -7.011 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.132 -2.427 -6.049 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.419 -2.087 -3.638 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.660 1.108 -6.443 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.891 -0.766 -2.250 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.148 2.448 -5.038 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.251 1.506 -2.946 1.00 1.52 H new ATOM 1950 N GLY A 117 6.024 -3.644 -6.039 1.00 0.55 N ATOM 1951 CA GLY A 117 6.280 -5.075 -5.848 1.00 0.56 C ATOM 1952 C GLY A 117 6.775 -5.457 -4.452 1.00 0.54 C ATOM 1953 O GLY A 117 6.078 -6.168 -3.719 1.00 0.55 O ATOM 0 H GLY A 117 6.406 -3.260 -6.903 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.362 -5.625 -6.056 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.019 -5.399 -6.581 1.00 0.56 H new ATOM 1957 N PRO A 118 7.976 -5.000 -4.050 1.00 0.52 N ATOM 1958 CA PRO A 118 8.571 -5.367 -2.756 1.00 0.53 C ATOM 1959 C PRO A 118 7.690 -4.977 -1.572 1.00 0.46 C ATOM 1960 O PRO A 118 7.550 -5.733 -0.607 1.00 0.45 O ATOM 1961 CB PRO A 118 9.879 -4.577 -2.720 1.00 0.54 C ATOM 1962 CG PRO A 118 10.178 -4.260 -4.142 1.00 0.65 C ATOM 1963 CD PRO A 118 8.848 -4.097 -4.816 1.00 0.53 C ATOM 0 HA PRO A 118 8.704 -6.446 -2.671 1.00 0.53 H new ATOM 0 HB2 PRO A 118 9.775 -3.668 -2.127 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.681 -5.162 -2.269 1.00 0.54 H new ATOM 0 HG2 PRO A 118 10.771 -3.349 -4.223 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.756 -5.059 -4.607 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.498 -3.066 -4.774 1.00 0.53 H new ATOM 0 HD3 PRO A 118 8.892 -4.376 -5.869 1.00 0.53 H new ATOM 1971 N ALA A 119 7.092 -3.800 -1.656 1.00 0.46 N ATOM 1972 CA ALA A 119 6.218 -3.311 -0.604 1.00 0.42 C ATOM 1973 C ALA A 119 4.907 -4.090 -0.565 1.00 0.44 C ATOM 1974 O ALA A 119 4.360 -4.342 0.503 1.00 0.43 O ATOM 1975 CB ALA A 119 5.940 -1.827 -0.799 1.00 0.41 C ATOM 0 H ALA A 119 7.197 -3.163 -2.446 1.00 0.46 H new ATOM 0 HA ALA A 119 6.726 -3.458 0.349 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.284 -1.472 -0.004 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.879 -1.274 -0.768 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.458 -1.671 -1.764 1.00 0.41 H new ATOM 1981 N CYS A 120 4.437 -4.509 -1.732 1.00 0.47 N ATOM 1982 CA CYS A 120 3.294 -5.408 -1.828 1.00 0.50 C ATOM 1983 C CYS A 120 3.586 -6.739 -1.145 1.00 0.52 C ATOM 1984 O CYS A 120 2.677 -7.415 -0.678 1.00 0.53 O ATOM 1985 CB CYS A 120 2.919 -5.663 -3.289 1.00 0.56 C ATOM 1986 SG CYS A 120 2.075 -4.268 -4.096 1.00 1.17 S ATOM 0 H CYS A 120 4.833 -4.238 -2.632 1.00 0.47 H new ATOM 0 HA CYS A 120 2.458 -4.924 -1.323 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.824 -5.899 -3.849 1.00 0.56 H new ATOM 0 HB3 CYS A 120 2.275 -6.541 -3.339 1.00 0.56 H new ATOM 1991 N LYS A 121 4.856 -7.118 -1.094 1.00 0.54 N ATOM 1992 CA LYS A 121 5.236 -8.383 -0.488 1.00 0.58 C ATOM 1993 C LYS A 121 5.113 -8.380 1.036 1.00 0.59 C ATOM 1994 O LYS A 121 4.767 -9.405 1.617 1.00 0.65 O ATOM 1995 CB LYS A 121 6.619 -8.793 -0.943 1.00 0.63 C ATOM 1996 CG LYS A 121 6.599 -9.263 -2.383 1.00 1.01 C ATOM 1997 CD LYS A 121 7.900 -9.900 -2.779 1.00 1.04 C ATOM 1998 CE LYS A 121 7.788 -10.563 -4.139 1.00 1.37 C ATOM 1999 NZ LYS A 121 9.119 -10.941 -4.683 1.00 1.47 N ATOM 0 H LYS A 121 5.634 -6.571 -1.463 1.00 0.54 H new ATOM 0 HA LYS A 121 4.524 -9.131 -0.835 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.304 -7.951 -0.841 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.995 -9.590 -0.302 1.00 0.63 H new ATOM 0 HG2 LYS A 121 5.787 -9.977 -2.521 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.394 -8.417 -3.039 1.00 1.01 H new ATOM 0 HD2 LYS A 121 8.686 -9.146 -2.802 1.00 1.04 H new ATOM 0 HD3 LYS A 121 8.189 -10.640 -2.032 1.00 1.04 H new ATOM 0 HE2 LYS A 121 7.163 -11.452 -4.059 1.00 1.37 H new ATOM 0 HE3 LYS A 121 7.291 -9.885 -4.833 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 9.065 -11.003 -5.720 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 9.821 -10.222 -4.415 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.403 -11.863 -4.295 1.00 1.47 H new ATOM 2013 N LYS A 122 5.419 -7.262 1.697 1.00 0.54 N ATOM 2014 CA LYS A 122 5.075 -7.151 3.121 1.00 0.55 C ATOM 2015 C LYS A 122 3.553 -7.029 3.239 1.00 0.53 C ATOM 2016 O LYS A 122 2.969 -7.446 4.237 1.00 0.57 O ATOM 2017 CB LYS A 122 5.792 -5.987 3.820 1.00 0.52 C ATOM 2018 CG LYS A 122 5.524 -4.613 3.228 1.00 0.46 C ATOM 2019 CD LYS A 122 6.011 -3.503 4.154 1.00 0.47 C ATOM 2020 CE LYS A 122 7.502 -3.608 4.439 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.940 -2.636 5.476 1.00 1.50 N ATOM 0 H LYS A 122 5.885 -6.450 1.293 1.00 0.54 H new ATOM 0 HA LYS A 122 5.420 -8.048 3.635 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.497 -5.977 4.869 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.866 -6.174 3.793 1.00 0.52 H new ATOM 0 HG2 LYS A 122 6.022 -4.528 2.262 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.456 -4.495 3.047 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.796 -2.534 3.702 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.459 -3.547 5.093 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.738 -4.620 4.768 1.00 1.15 H new ATOM 0 HE3 LYS A 122 8.060 -3.433 3.519 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 8.955 -2.442 5.363 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.404 -1.751 5.370 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.767 -3.035 6.421 1.00 1.50 H new ATOM 2035 N ILE A 123 2.923 -6.432 2.238 1.00 0.49 N ATOM 2036 CA ILE A 123 1.481 -6.220 2.259 1.00 0.48 C ATOM 2037 C ILE A 123 0.686 -7.530 2.196 1.00 0.51 C ATOM 2038 O ILE A 123 -0.246 -7.783 2.956 1.00 0.54 O ATOM 2039 CB ILE A 123 1.045 -5.288 1.119 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.530 -3.874 1.422 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.466 -5.313 0.936 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.311 -2.910 0.289 1.00 0.44 C ATOM 0 H ILE A 123 3.388 -6.085 1.399 1.00 0.49 H new ATOM 0 HA ILE A 123 1.257 -5.749 3.216 1.00 0.48 H new ATOM 0 HB ILE A 123 1.489 -5.633 0.186 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.015 -3.504 2.308 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.593 -3.906 1.661 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.745 -4.644 0.122 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.787 -6.327 0.698 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.949 -4.986 1.857 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.679 -1.924 0.574 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.849 -3.257 -0.593 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.246 -2.849 0.064 1.00 0.44 H new ATOM 2054 N TYR A 124 1.140 -8.363 1.266 1.00 0.52 N ATOM 2055 CA TYR A 124 0.710 -9.745 1.079 1.00 0.58 C ATOM 2056 C TYR A 124 1.445 -10.673 2.039 1.00 0.64 C ATOM 2057 O TYR A 124 1.424 -11.883 1.849 1.00 0.82 O ATOM 2058 CB TYR A 124 0.931 -10.199 -0.362 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.074 -9.634 -1.335 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -1.437 -9.805 -1.123 1.00 1.14 C ATOM 2061 CD2 TYR A 124 0.332 -8.930 -2.459 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.364 -9.291 -2.005 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.590 -8.412 -3.346 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.936 -8.596 -3.114 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.856 -8.082 -3.992 1.00 1.17 O ATOM 0 H TYR A 124 1.850 -8.081 0.591 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.358 -9.792 1.294 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.933 -9.906 -0.677 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.890 -11.288 -0.401 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -1.775 -10.349 -0.254 1.00 1.14 H new ATOM 0 HD2 TYR A 124 1.386 -8.785 -2.643 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -3.420 -9.433 -1.827 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -0.259 -7.866 -4.217 1.00 1.05 H new ATOM 0 HH TYR A 124 -3.374 -7.378 -3.548 1.00 1.17 H new ATOM 2075 N GLY A 125 1.902 -10.083 3.147 1.00 0.73 N ATOM 2076 CA GLY A 125 3.129 -10.410 3.911 1.00 0.86 C ATOM 2077 C GLY A 125 3.837 -11.739 3.652 1.00 0.71 C ATOM 2078 O GLY A 125 4.426 -12.314 4.568 1.00 0.78 O ATOM 0 H GLY A 125 1.394 -9.307 3.572 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.850 -9.613 3.730 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.875 -10.375 4.970 1.00 0.86 H new ATOM 2082 N VAL A 126 3.762 -12.229 2.426 1.00 0.71 N ATOM 2083 CA VAL A 126 4.561 -13.362 1.953 1.00 0.84 C ATOM 2084 C VAL A 126 6.038 -13.210 2.329 1.00 0.99 C ATOM 2085 O VAL A 126 6.759 -14.197 2.442 1.00 1.53 O ATOM 2086 CB VAL A 126 4.477 -13.504 0.415 1.00 0.93 C ATOM 2087 CG1 VAL A 126 3.097 -13.955 -0.031 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.842 -12.193 -0.266 1.00 0.98 C ATOM 0 H VAL A 126 3.136 -11.849 1.715 1.00 0.71 H new ATOM 0 HA VAL A 126 4.148 -14.247 2.436 1.00 0.84 H new ATOM 0 HB VAL A 126 5.194 -14.270 0.120 1.00 0.93 H new ATOM 0 HG11 VAL A 126 3.077 -14.044 -1.117 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.868 -14.922 0.416 1.00 1.38 H new ATOM 0 HG13 VAL A 126 2.355 -13.223 0.287 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.777 -12.314 -1.347 1.00 0.98 H new ATOM 0 HG22 VAL A 126 4.152 -11.412 0.054 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.859 -11.912 0.007 1.00 0.98 H new