USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 780 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 17 TYR OH : rot 165:sc= 0.974 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -144:sc= 1.16 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.1!) USER MOD Single : A 27 HIS : no HD1:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.1) USER MOD Single : A 38 SER OG : rot -126:sc= 0.8 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1) USER MOD Single : A 49 TYR OH : rot -15:sc= -0.198 USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= 0.898 (180deg=-0.0433!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00915 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= 0.643 (180deg=0.143) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -86:sc= 1.12 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0.994 K(o=0.99,f=-5.9!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.4!) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.0662 USER MOD Single : B 396 LYS NZ :NH3+ -156:sc= 1.22 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -4.495 11.548 -10.080 1.00 0.00 N ATOM 140 CA PHE A 14 -3.716 10.907 -9.020 1.00 0.00 C ATOM 141 C PHE A 14 -4.472 10.910 -7.695 1.00 0.00 C ATOM 142 O PHE A 14 -3.865 10.931 -6.625 1.00 0.00 O ATOM 143 CB PHE A 14 -2.363 11.604 -8.841 1.00 0.00 C ATOM 144 CG PHE A 14 -1.418 11.413 -9.992 1.00 0.00 C ATOM 145 CD1 PHE A 14 -0.724 10.225 -10.143 1.00 0.00 C ATOM 146 CD2 PHE A 14 -1.213 12.427 -10.912 1.00 0.00 C ATOM 147 CE1 PHE A 14 0.153 10.048 -11.195 1.00 0.00 C ATOM 148 CE2 PHE A 14 -0.338 12.258 -11.966 1.00 0.00 C ATOM 149 CZ PHE A 14 0.349 11.068 -12.107 1.00 0.00 C ATOM 0 HA PHE A 14 -3.548 9.873 -9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.532 12.671 -8.697 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.892 11.231 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.870 9.427 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.744 13.361 -10.804 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.685 9.114 -11.305 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.191 13.055 -12.680 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.038 10.935 -12.928 1.00 0.00 H new ATOM 159 N SER A 15 -5.795 10.864 -7.775 1.00 0.00 N ATOM 160 CA SER A 15 -6.638 10.875 -6.591 1.00 0.00 C ATOM 161 C SER A 15 -6.327 9.689 -5.678 1.00 0.00 C ATOM 162 O SER A 15 -6.107 9.859 -4.476 1.00 0.00 O ATOM 163 CB SER A 15 -8.102 10.854 -7.023 1.00 0.00 C ATOM 164 OG SER A 15 -8.262 11.516 -8.268 1.00 0.00 O ATOM 0 H SER A 15 -6.309 10.818 -8.655 1.00 0.00 H new ATOM 0 HA SER A 15 -6.438 11.783 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.448 9.824 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.718 11.338 -6.265 1.00 0.00 H new ATOM 0 HG SER A 15 -9.205 11.493 -8.532 1.00 0.00 H new ATOM 170 N GLU A 16 -6.276 8.497 -6.258 1.00 0.00 N ATOM 171 CA GLU A 16 -5.984 7.291 -5.493 1.00 0.00 C ATOM 172 C GLU A 16 -4.538 7.313 -5.016 1.00 0.00 C ATOM 173 O GLU A 16 -4.245 6.984 -3.867 1.00 0.00 O ATOM 174 CB GLU A 16 -6.227 6.030 -6.330 1.00 0.00 C ATOM 175 CG GLU A 16 -7.372 6.153 -7.321 1.00 0.00 C ATOM 176 CD GLU A 16 -6.909 6.625 -8.683 1.00 0.00 C ATOM 177 OE1 GLU A 16 -6.723 7.851 -8.862 1.00 0.00 O ATOM 178 OE2 GLU A 16 -6.722 5.777 -9.579 1.00 0.00 O ATOM 0 H GLU A 16 -6.433 8.339 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.654 7.269 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.314 5.787 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.430 5.195 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.866 5.187 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.113 6.850 -6.931 1.00 0.00 H new ATOM 185 N TYR A 17 -3.643 7.733 -5.907 1.00 0.00 N ATOM 186 CA TYR A 17 -2.219 7.806 -5.601 1.00 0.00 C ATOM 187 C TYR A 17 -1.960 8.735 -4.422 1.00 0.00 C ATOM 188 O TYR A 17 -1.160 8.420 -3.544 1.00 0.00 O ATOM 189 CB TYR A 17 -1.436 8.290 -6.823 1.00 0.00 C ATOM 190 CG TYR A 17 -1.439 7.315 -7.974 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.529 7.222 -8.829 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.350 6.486 -8.205 1.00 0.00 C ATOM 193 CE1 TYR A 17 -2.533 6.333 -9.882 1.00 0.00 C ATOM 194 CE2 TYR A 17 -0.345 5.593 -9.258 1.00 0.00 C ATOM 195 CZ TYR A 17 -1.441 5.521 -10.092 1.00 0.00 C ATOM 196 OH TYR A 17 -1.445 4.637 -11.143 1.00 0.00 O ATOM 0 H TYR A 17 -3.883 8.030 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.882 6.805 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.857 9.237 -7.160 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.405 8.486 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.388 7.857 -8.666 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.507 6.540 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.388 6.274 -10.539 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.510 4.956 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.533 4.315 -11.303 1.00 0.00 H new ATOM 206 N SER A 18 -2.645 9.873 -4.406 1.00 0.00 N ATOM 207 CA SER A 18 -2.493 10.845 -3.335 1.00 0.00 C ATOM 208 C SER A 18 -2.878 10.228 -1.992 1.00 0.00 C ATOM 209 O SER A 18 -2.174 10.403 -0.998 1.00 0.00 O ATOM 210 CB SER A 18 -3.347 12.087 -3.620 1.00 0.00 C ATOM 211 OG SER A 18 -3.083 13.125 -2.688 1.00 0.00 O ATOM 0 H SER A 18 -3.313 10.144 -5.127 1.00 0.00 H new ATOM 0 HA SER A 18 -1.447 11.146 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.146 12.444 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.403 11.821 -3.580 1.00 0.00 H new ATOM 0 HG SER A 18 -3.641 13.903 -2.898 1.00 0.00 H new ATOM 217 N ARG A 19 -3.982 9.488 -1.976 1.00 0.00 N ATOM 218 CA ARG A 19 -4.454 8.841 -0.756 1.00 0.00 C ATOM 219 C ARG A 19 -3.426 7.842 -0.236 1.00 0.00 C ATOM 220 O ARG A 19 -3.107 7.823 0.954 1.00 0.00 O ATOM 221 CB ARG A 19 -5.781 8.129 -1.009 1.00 0.00 C ATOM 222 CG ARG A 19 -6.961 9.072 -1.135 1.00 0.00 C ATOM 223 CD ARG A 19 -8.276 8.347 -0.919 1.00 0.00 C ATOM 224 NE ARG A 19 -8.404 7.827 0.445 1.00 0.00 N ATOM 225 CZ ARG A 19 -9.570 7.528 1.020 1.00 0.00 C ATOM 226 NH1 ARG A 19 -10.704 7.679 0.348 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.597 7.082 2.270 1.00 0.00 N ATOM 0 H ARG A 19 -4.567 9.321 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.601 9.615 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.699 7.539 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.970 7.430 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.864 9.877 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.956 9.533 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.102 9.027 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.356 7.524 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.551 7.685 0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.686 8.025 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.594 7.449 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.727 6.968 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.488 6.853 2.711 1.00 0.00 H new ATOM 241 N ILE A 20 -2.908 7.017 -1.137 1.00 0.00 N ATOM 242 CA ILE A 20 -1.910 6.019 -0.781 1.00 0.00 C ATOM 243 C ILE A 20 -0.621 6.705 -0.328 1.00 0.00 C ATOM 244 O ILE A 20 -0.044 6.353 0.703 1.00 0.00 O ATOM 245 CB ILE A 20 -1.634 5.061 -1.968 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.637 3.905 -1.968 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.212 4.516 -1.925 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.069 4.308 -2.270 1.00 0.00 C ATOM 0 H ILE A 20 -3.165 7.020 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.298 5.422 0.044 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.750 5.634 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.319 3.166 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.609 3.417 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.053 3.848 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.496 5.343 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.061 3.967 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.708 3.425 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.412 5.022 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.117 4.767 -3.258 1.00 0.00 H new ATOM 260 N SER A 21 -0.190 7.694 -1.104 1.00 0.00 N ATOM 261 CA SER A 21 1.012 8.463 -0.791 1.00 0.00 C ATOM 262 C SER A 21 0.872 9.117 0.585 1.00 0.00 C ATOM 263 O SER A 21 1.833 9.189 1.355 1.00 0.00 O ATOM 264 CB SER A 21 1.252 9.537 -1.865 1.00 0.00 C ATOM 265 OG SER A 21 2.426 10.290 -1.602 1.00 0.00 O ATOM 0 H SER A 21 -0.659 7.985 -1.962 1.00 0.00 H new ATOM 0 HA SER A 21 1.867 7.787 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.336 9.062 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.393 10.206 -1.909 1.00 0.00 H new ATOM 0 HG SER A 21 2.548 10.962 -2.305 1.00 0.00 H new ATOM 271 N ASN A 22 -0.342 9.570 0.893 1.00 0.00 N ATOM 272 CA ASN A 22 -0.625 10.215 2.169 1.00 0.00 C ATOM 273 C ASN A 22 -0.365 9.257 3.322 1.00 0.00 C ATOM 274 O ASN A 22 0.221 9.635 4.332 1.00 0.00 O ATOM 275 CB ASN A 22 -2.075 10.699 2.213 1.00 0.00 C ATOM 276 CG ASN A 22 -2.260 11.896 3.124 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.385 12.753 3.232 1.00 0.00 O ATOM 278 ND2 ASN A 22 -3.398 11.957 3.795 1.00 0.00 N ATOM 0 H ASN A 22 -1.148 9.501 0.271 1.00 0.00 H new ATOM 0 HA ASN A 22 0.038 11.074 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.398 10.960 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.716 9.885 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.575 12.736 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.099 11.226 3.678 1.00 0.00 H new ATOM 285 N LEU A 23 -0.792 8.010 3.152 1.00 0.00 N ATOM 286 CA LEU A 23 -0.596 6.985 4.172 1.00 0.00 C ATOM 287 C LEU A 23 0.891 6.790 4.454 1.00 0.00 C ATOM 288 O LEU A 23 1.304 6.615 5.602 1.00 0.00 O ATOM 289 CB LEU A 23 -1.232 5.658 3.720 1.00 0.00 C ATOM 290 CG LEU A 23 -0.517 4.381 4.190 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.514 3.293 4.521 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.458 3.880 3.133 1.00 0.00 C ATOM 0 H LEU A 23 -1.277 7.684 2.316 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.082 7.312 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.261 5.629 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.274 5.649 2.631 1.00 0.00 H new ATOM 0 HG LEU A 23 0.042 4.632 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.982 2.400 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.176 3.636 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.103 3.058 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.950 2.976 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.084 3.658 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.207 4.647 2.936 1.00 0.00 H new ATOM 304 N ILE A 24 1.685 6.848 3.394 1.00 0.00 N ATOM 305 CA ILE A 24 3.122 6.659 3.501 1.00 0.00 C ATOM 306 C ILE A 24 3.776 7.792 4.273 1.00 0.00 C ATOM 307 O ILE A 24 4.473 7.555 5.259 1.00 0.00 O ATOM 308 CB ILE A 24 3.779 6.534 2.102 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.599 5.115 1.559 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.261 6.898 2.151 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.243 4.054 2.429 1.00 0.00 C ATOM 0 H ILE A 24 1.354 7.026 2.446 1.00 0.00 H new ATOM 0 HA ILE A 24 3.279 5.729 4.048 1.00 0.00 H new ATOM 0 HB ILE A 24 3.283 7.237 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.534 4.901 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.024 5.060 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.693 6.800 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.372 7.926 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.778 6.228 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.078 3.071 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.314 4.244 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.801 4.083 3.425 1.00 0.00 H new ATOM 323 N VAL A 25 3.518 9.022 3.855 1.00 0.00 N ATOM 324 CA VAL A 25 4.123 10.173 4.504 1.00 0.00 C ATOM 325 C VAL A 25 3.604 10.357 5.929 1.00 0.00 C ATOM 326 O VAL A 25 4.360 10.735 6.819 1.00 0.00 O ATOM 327 CB VAL A 25 3.924 11.477 3.692 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.672 11.400 2.371 1.00 0.00 C ATOM 329 CG2 VAL A 25 2.449 11.761 3.451 1.00 0.00 C ATOM 0 H VAL A 25 2.899 9.247 3.076 1.00 0.00 H new ATOM 0 HA VAL A 25 5.192 9.967 4.550 1.00 0.00 H new ATOM 0 HB VAL A 25 4.331 12.300 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.521 12.324 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.736 11.261 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.296 10.559 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.345 12.683 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.006 10.936 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.938 11.868 4.408 1.00 0.00 H new ATOM 339 N LEU A 26 2.328 10.067 6.152 1.00 0.00 N ATOM 340 CA LEU A 26 1.735 10.211 7.477 1.00 0.00 C ATOM 341 C LEU A 26 2.316 9.202 8.460 1.00 0.00 C ATOM 342 O LEU A 26 2.777 9.572 9.540 1.00 0.00 O ATOM 343 CB LEU A 26 0.220 10.040 7.412 1.00 0.00 C ATOM 344 CG LEU A 26 -0.569 11.326 7.180 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.958 10.998 6.664 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.654 12.142 8.460 1.00 0.00 C ATOM 0 H LEU A 26 1.685 9.732 5.435 1.00 0.00 H new ATOM 0 HA LEU A 26 1.971 11.215 7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.017 9.338 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.119 9.588 8.344 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.049 11.924 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.513 11.922 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.877 10.453 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.482 10.383 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.220 13.054 8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.153 11.557 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.351 12.401 8.794 1.00 0.00 H new ATOM 358 N HIS A 27 2.307 7.930 8.084 1.00 0.00 N ATOM 359 CA HIS A 27 2.827 6.891 8.960 1.00 0.00 C ATOM 360 C HIS A 27 4.339 7.012 9.116 1.00 0.00 C ATOM 361 O HIS A 27 4.865 6.821 10.206 1.00 0.00 O ATOM 362 CB HIS A 27 2.450 5.495 8.454 1.00 0.00 C ATOM 363 CG HIS A 27 2.540 4.432 9.511 1.00 0.00 C ATOM 364 ND1 HIS A 27 1.457 4.002 10.244 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.598 3.716 9.960 1.00 0.00 C ATOM 366 CE1 HIS A 27 1.843 3.072 11.096 1.00 0.00 C ATOM 367 NE2 HIS A 27 3.140 2.876 10.949 1.00 0.00 N ATOM 0 H HIS A 27 1.950 7.596 7.189 1.00 0.00 H new ATOM 0 HA HIS A 27 2.369 7.030 9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.433 5.521 8.062 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.105 5.228 7.625 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.616 3.791 9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.204 2.556 11.797 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.707 2.214 11.479 1.00 0.00 H new ATOM 376 N LEU A 28 5.042 7.337 8.033 1.00 0.00 N ATOM 377 CA LEU A 28 6.494 7.468 8.097 1.00 0.00 C ATOM 378 C LEU A 28 6.897 8.635 8.996 1.00 0.00 C ATOM 379 O LEU A 28 7.778 8.488 9.843 1.00 0.00 O ATOM 380 CB LEU A 28 7.093 7.644 6.700 1.00 0.00 C ATOM 381 CG LEU A 28 8.321 6.776 6.403 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.503 7.196 7.264 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.000 5.307 6.626 1.00 0.00 C ATOM 0 H LEU A 28 4.636 7.512 7.114 1.00 0.00 H new ATOM 0 HA LEU A 28 6.890 6.548 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.323 7.421 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.367 8.691 6.569 1.00 0.00 H new ATOM 0 HG LEU A 28 8.593 6.919 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.362 6.565 7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.752 8.237 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.243 7.087 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.883 4.705 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.700 5.153 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.187 5.008 5.965 1.00 0.00 H new ATOM 395 N ARG A 29 6.242 9.785 8.825 1.00 0.00 N ATOM 396 CA ARG A 29 6.556 10.956 9.640 1.00 0.00 C ATOM 397 C ARG A 29 6.255 10.673 11.109 1.00 0.00 C ATOM 398 O ARG A 29 6.896 11.223 12.000 1.00 0.00 O ATOM 399 CB ARG A 29 5.798 12.203 9.156 1.00 0.00 C ATOM 400 CG ARG A 29 4.327 12.234 9.536 1.00 0.00 C ATOM 401 CD ARG A 29 3.654 13.501 9.040 1.00 0.00 C ATOM 402 NE ARG A 29 4.171 14.695 9.708 1.00 0.00 N ATOM 403 CZ ARG A 29 3.935 15.939 9.293 1.00 0.00 C ATOM 404 NH1 ARG A 29 3.194 16.155 8.212 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.435 16.968 9.960 1.00 0.00 N ATOM 0 H ARG A 29 5.501 9.928 8.139 1.00 0.00 H new ATOM 0 HA ARG A 29 7.621 11.163 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.284 13.089 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.881 12.265 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.823 11.364 9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.228 12.168 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.804 13.594 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.579 13.429 9.207 1.00 0.00 H new ATOM 0 HE ARG A 29 4.746 14.568 10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.803 15.367 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.016 17.109 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.002 16.809 10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.253 17.920 9.641 1.00 0.00 H new ATOM 419 N LYS A 30 5.266 9.821 11.353 1.00 0.00 N ATOM 420 CA LYS A 30 4.914 9.435 12.709 1.00 0.00 C ATOM 421 C LYS A 30 5.984 8.496 13.263 1.00 0.00 C ATOM 422 O LYS A 30 6.407 8.624 14.408 1.00 0.00 O ATOM 423 CB LYS A 30 3.534 8.767 12.738 1.00 0.00 C ATOM 424 CG LYS A 30 3.080 8.336 14.127 1.00 0.00 C ATOM 425 CD LYS A 30 3.061 9.504 15.104 1.00 0.00 C ATOM 426 CE LYS A 30 1.997 10.527 14.742 1.00 0.00 C ATOM 427 NZ LYS A 30 2.041 11.711 15.639 1.00 0.00 N ATOM 0 H LYS A 30 4.695 9.386 10.628 1.00 0.00 H new ATOM 0 HA LYS A 30 4.865 10.326 13.335 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.799 9.458 12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.551 7.894 12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.084 7.899 14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.746 7.559 14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.879 9.131 16.112 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.039 9.985 15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.138 10.848 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.012 10.063 14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.576 12.516 15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.547 11.492 16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.031 11.954 15.844 1.00 0.00 H new ATOM 441 N VAL A 31 6.428 7.567 12.422 1.00 0.00 N ATOM 442 CA VAL A 31 7.452 6.601 12.795 1.00 0.00 C ATOM 443 C VAL A 31 8.748 7.307 13.191 1.00 0.00 C ATOM 444 O VAL A 31 9.321 7.022 14.242 1.00 0.00 O ATOM 445 CB VAL A 31 7.730 5.612 11.640 1.00 0.00 C ATOM 446 CG1 VAL A 31 9.064 4.911 11.823 1.00 0.00 C ATOM 447 CG2 VAL A 31 6.615 4.588 11.538 1.00 0.00 C ATOM 0 H VAL A 31 6.088 7.464 11.466 1.00 0.00 H new ATOM 0 HA VAL A 31 7.078 6.042 13.652 1.00 0.00 H new ATOM 0 HB VAL A 31 7.772 6.186 10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.230 4.222 10.994 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.864 5.651 11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.057 4.355 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.827 3.900 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.546 4.031 12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.670 5.097 11.349 1.00 0.00 H new ATOM 457 N GLU A 32 9.192 8.239 12.353 1.00 0.00 N ATOM 458 CA GLU A 32 10.415 8.985 12.622 1.00 0.00 C ATOM 459 C GLU A 32 10.243 9.883 13.845 1.00 0.00 C ATOM 460 O GLU A 32 11.205 10.190 14.546 1.00 0.00 O ATOM 461 CB GLU A 32 10.828 9.816 11.402 1.00 0.00 C ATOM 462 CG GLU A 32 9.792 10.833 10.962 1.00 0.00 C ATOM 463 CD GLU A 32 10.299 11.754 9.874 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.959 12.762 10.206 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.043 11.480 8.684 1.00 0.00 O ATOM 0 H GLU A 32 8.724 8.495 11.484 1.00 0.00 H new ATOM 0 HA GLU A 32 11.208 8.266 12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.758 10.337 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.035 9.142 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.905 10.310 10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.486 11.428 11.822 1.00 0.00 H new ATOM 472 N GLU A 33 9.008 10.299 14.089 1.00 0.00 N ATOM 473 CA GLU A 33 8.685 11.151 15.223 1.00 0.00 C ATOM 474 C GLU A 33 8.731 10.350 16.523 1.00 0.00 C ATOM 475 O GLU A 33 9.121 10.864 17.570 1.00 0.00 O ATOM 476 CB GLU A 33 7.296 11.767 15.018 1.00 0.00 C ATOM 477 CG GLU A 33 6.689 12.402 16.259 1.00 0.00 C ATOM 478 CD GLU A 33 5.549 13.343 15.925 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.457 12.861 15.558 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.749 14.572 16.014 1.00 0.00 O ATOM 0 H GLU A 33 8.205 10.056 13.508 1.00 0.00 H new ATOM 0 HA GLU A 33 9.423 11.950 15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.362 12.523 14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.620 10.992 14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.327 11.619 16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.462 12.949 16.800 1.00 0.00 H new ATOM 487 N GLU A 34 8.346 9.085 16.441 1.00 0.00 N ATOM 488 CA GLU A 34 8.324 8.217 17.608 1.00 0.00 C ATOM 489 C GLU A 34 9.675 7.545 17.832 1.00 0.00 C ATOM 490 O GLU A 34 10.261 7.662 18.907 1.00 0.00 O ATOM 491 CB GLU A 34 7.231 7.161 17.455 1.00 0.00 C ATOM 492 CG GLU A 34 5.832 7.750 17.352 1.00 0.00 C ATOM 493 CD GLU A 34 4.762 6.801 17.838 1.00 0.00 C ATOM 494 OE1 GLU A 34 4.324 5.935 17.055 1.00 0.00 O ATOM 495 OE2 GLU A 34 4.350 6.915 19.014 1.00 0.00 O ATOM 0 H GLU A 34 8.044 8.636 15.576 1.00 0.00 H new ATOM 0 HA GLU A 34 8.110 8.835 18.480 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.433 6.566 16.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.270 6.483 18.307 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.786 8.671 17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.630 8.018 16.315 1.00 0.00 H new ATOM 502 N GLU A 35 10.166 6.848 16.821 1.00 0.00 N ATOM 503 CA GLU A 35 11.439 6.155 16.928 1.00 0.00 C ATOM 504 C GLU A 35 12.457 6.773 15.977 1.00 0.00 C ATOM 505 O GLU A 35 13.280 7.598 16.386 1.00 0.00 O ATOM 506 CB GLU A 35 11.269 4.662 16.621 1.00 0.00 C ATOM 507 CG GLU A 35 10.098 4.014 17.342 1.00 0.00 C ATOM 508 CD GLU A 35 9.985 2.526 17.065 1.00 0.00 C ATOM 509 OE1 GLU A 35 10.593 1.729 17.810 1.00 0.00 O ATOM 510 OE2 GLU A 35 9.285 2.143 16.105 1.00 0.00 O ATOM 0 H GLU A 35 9.703 6.747 15.918 1.00 0.00 H new ATOM 0 HA GLU A 35 11.802 6.259 17.951 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.137 4.535 15.547 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.185 4.138 16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.206 4.172 18.415 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.174 4.506 17.039 1.00 0.00 H new ATOM 517 N ASP A 36 12.373 6.381 14.704 1.00 0.00 N ATOM 518 CA ASP A 36 13.282 6.872 13.663 1.00 0.00 C ATOM 519 C ASP A 36 12.995 6.182 12.333 1.00 0.00 C ATOM 520 O ASP A 36 12.350 6.750 11.456 1.00 0.00 O ATOM 521 CB ASP A 36 14.749 6.644 14.051 1.00 0.00 C ATOM 522 CG ASP A 36 15.724 7.294 13.087 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.403 8.365 12.529 1.00 0.00 O ATOM 524 OD2 ASP A 36 16.826 6.739 12.892 1.00 0.00 O ATOM 0 H ASP A 36 11.677 5.717 14.365 1.00 0.00 H new ATOM 0 HA ASP A 36 13.112 7.944 13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.920 7.038 15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.946 5.573 14.092 1.00 0.00 H new ATOM 529 N GLU A 37 13.466 4.949 12.195 1.00 0.00 N ATOM 530 CA GLU A 37 13.256 4.184 10.971 1.00 0.00 C ATOM 531 C GLU A 37 12.287 3.049 11.220 1.00 0.00 C ATOM 532 O GLU A 37 11.309 2.880 10.492 1.00 0.00 O ATOM 533 CB GLU A 37 14.579 3.633 10.442 1.00 0.00 C ATOM 534 CG GLU A 37 15.559 4.707 10.009 1.00 0.00 C ATOM 535 CD GLU A 37 16.923 4.146 9.661 1.00 0.00 C ATOM 536 OE1 GLU A 37 17.675 3.780 10.592 1.00 0.00 O ATOM 537 OE2 GLU A 37 17.255 4.075 8.462 1.00 0.00 O ATOM 0 H GLU A 37 13.996 4.457 12.915 1.00 0.00 H new ATOM 0 HA GLU A 37 12.834 4.853 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.043 3.021 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.376 2.976 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.156 5.234 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.665 5.440 10.808 1.00 0.00 H new ATOM 544 N SER A 38 12.602 2.280 12.248 1.00 0.00 N ATOM 545 CA SER A 38 11.805 1.134 12.695 1.00 0.00 C ATOM 546 C SER A 38 11.805 -0.031 11.693 1.00 0.00 C ATOM 547 O SER A 38 11.941 -1.188 12.092 1.00 0.00 O ATOM 548 CB SER A 38 10.375 1.578 12.993 1.00 0.00 C ATOM 549 OG SER A 38 10.366 2.726 13.827 1.00 0.00 O ATOM 0 H SER A 38 13.437 2.433 12.813 1.00 0.00 H new ATOM 0 HA SER A 38 12.274 0.759 13.604 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.856 1.797 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.831 0.767 13.478 1.00 0.00 H new ATOM 0 HG SER A 38 9.804 2.556 14.612 1.00 0.00 H new ATOM 555 N ALA A 39 11.665 0.286 10.405 1.00 0.00 N ATOM 556 CA ALA A 39 11.629 -0.716 9.339 1.00 0.00 C ATOM 557 C ALA A 39 10.438 -1.652 9.530 1.00 0.00 C ATOM 558 O ALA A 39 10.548 -2.719 10.139 1.00 0.00 O ATOM 559 CB ALA A 39 12.939 -1.490 9.271 1.00 0.00 C ATOM 0 H ALA A 39 11.573 1.246 10.071 1.00 0.00 H new ATOM 0 HA ALA A 39 11.506 -0.202 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.885 -2.228 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.759 -0.800 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.112 -1.997 10.220 1.00 0.00 H new ATOM 565 N LEU A 40 9.296 -1.235 9.011 1.00 0.00 N ATOM 566 CA LEU A 40 8.069 -2.005 9.143 1.00 0.00 C ATOM 567 C LEU A 40 7.836 -2.898 7.928 1.00 0.00 C ATOM 568 O LEU A 40 8.505 -2.769 6.902 1.00 0.00 O ATOM 569 CB LEU A 40 6.879 -1.060 9.318 1.00 0.00 C ATOM 570 CG LEU A 40 7.119 0.122 10.261 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.474 1.381 9.705 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.576 -0.182 11.649 1.00 0.00 C ATOM 0 H LEU A 40 9.192 -0.363 8.492 1.00 0.00 H new ATOM 0 HA LEU A 40 8.168 -2.643 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.597 -0.672 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.031 -1.635 9.690 1.00 0.00 H new ATOM 0 HG LEU A 40 8.194 0.286 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.653 2.213 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.905 1.611 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.401 1.224 9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.756 0.670 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.504 -0.372 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.078 -1.062 12.051 1.00 0.00 H new ATOM 584 N LYS A 41 6.889 -3.812 8.067 1.00 0.00 N ATOM 585 CA LYS A 41 6.533 -4.729 6.995 1.00 0.00 C ATOM 586 C LYS A 41 5.576 -4.043 6.019 1.00 0.00 C ATOM 587 O LYS A 41 4.578 -3.453 6.439 1.00 0.00 O ATOM 588 CB LYS A 41 5.888 -5.987 7.589 1.00 0.00 C ATOM 589 CG LYS A 41 5.438 -7.006 6.556 1.00 0.00 C ATOM 590 CD LYS A 41 5.165 -8.360 7.189 1.00 0.00 C ATOM 591 CE LYS A 41 3.996 -8.306 8.160 1.00 0.00 C ATOM 592 NZ LYS A 41 3.902 -9.545 8.976 1.00 0.00 N ATOM 0 H LYS A 41 6.347 -3.939 8.922 1.00 0.00 H new ATOM 0 HA LYS A 41 7.432 -5.019 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.600 -6.462 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.028 -5.691 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.537 -6.648 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.205 -7.110 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.955 -9.090 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.057 -8.702 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.109 -7.444 8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.068 -8.164 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.094 -9.472 9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.769 -10.364 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.777 -9.667 9.524 1.00 0.00 H new ATOM 606 N ARG A 42 5.876 -4.122 4.723 1.00 0.00 N ATOM 607 CA ARG A 42 5.035 -3.489 3.705 1.00 0.00 C ATOM 608 C ARG A 42 3.617 -4.058 3.723 1.00 0.00 C ATOM 609 O ARG A 42 2.649 -3.327 3.519 1.00 0.00 O ATOM 610 CB ARG A 42 5.653 -3.630 2.304 1.00 0.00 C ATOM 611 CG ARG A 42 5.839 -5.066 1.844 1.00 0.00 C ATOM 612 CD ARG A 42 6.410 -5.137 0.436 1.00 0.00 C ATOM 613 NE ARG A 42 5.379 -4.983 -0.592 1.00 0.00 N ATOM 614 CZ ARG A 42 5.617 -5.043 -1.905 1.00 0.00 C ATOM 615 NH1 ARG A 42 6.855 -5.227 -2.350 1.00 0.00 N ATOM 616 NH2 ARG A 42 4.621 -4.911 -2.773 1.00 0.00 N ATOM 0 H ARG A 42 6.689 -4.614 4.354 1.00 0.00 H new ATOM 0 HA ARG A 42 4.978 -2.428 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.019 -3.110 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.621 -3.130 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.505 -5.585 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.881 -5.585 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.162 -4.358 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.916 -6.093 0.300 1.00 0.00 H new ATOM 0 HE ARG A 42 4.420 -4.820 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.626 -5.323 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.035 -5.273 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.669 -4.763 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.808 -4.958 -3.775 1.00 0.00 H new ATOM 630 N SER A 43 3.496 -5.357 3.988 1.00 0.00 N ATOM 631 CA SER A 43 2.194 -6.005 4.041 1.00 0.00 C ATOM 632 C SER A 43 1.347 -5.413 5.168 1.00 0.00 C ATOM 633 O SER A 43 0.132 -5.290 5.040 1.00 0.00 O ATOM 634 CB SER A 43 2.358 -7.511 4.240 1.00 0.00 C ATOM 635 OG SER A 43 1.482 -8.238 3.395 1.00 0.00 O ATOM 0 H SER A 43 4.285 -5.978 4.169 1.00 0.00 H new ATOM 0 HA SER A 43 1.683 -5.830 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.389 -7.798 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.159 -7.767 5.281 1.00 0.00 H new ATOM 0 HG SER A 43 1.609 -9.199 3.541 1.00 0.00 H new ATOM 641 N GLU A 44 2.005 -5.021 6.256 1.00 0.00 N ATOM 642 CA GLU A 44 1.318 -4.440 7.402 1.00 0.00 C ATOM 643 C GLU A 44 0.724 -3.086 7.032 1.00 0.00 C ATOM 644 O GLU A 44 -0.417 -2.789 7.385 1.00 0.00 O ATOM 645 CB GLU A 44 2.274 -4.296 8.589 1.00 0.00 C ATOM 646 CG GLU A 44 1.625 -3.690 9.823 1.00 0.00 C ATOM 647 CD GLU A 44 2.549 -3.659 11.020 1.00 0.00 C ATOM 648 OE1 GLU A 44 2.673 -4.696 11.706 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.150 -2.598 11.290 1.00 0.00 O ATOM 0 H GLU A 44 3.016 -5.096 6.366 1.00 0.00 H new ATOM 0 HA GLU A 44 0.508 -5.109 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.674 -5.277 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.119 -3.675 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.300 -2.675 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.732 -4.261 10.075 1.00 0.00 H new ATOM 656 N LEU A 45 1.500 -2.280 6.306 1.00 0.00 N ATOM 657 CA LEU A 45 1.048 -0.961 5.874 1.00 0.00 C ATOM 658 C LEU A 45 -0.235 -1.092 5.067 1.00 0.00 C ATOM 659 O LEU A 45 -1.230 -0.419 5.341 1.00 0.00 O ATOM 660 CB LEU A 45 2.130 -0.270 5.040 1.00 0.00 C ATOM 661 CG LEU A 45 3.369 0.171 5.821 1.00 0.00 C ATOM 662 CD1 LEU A 45 4.450 0.659 4.873 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.008 1.260 6.818 1.00 0.00 C ATOM 0 H LEU A 45 2.445 -2.520 6.006 1.00 0.00 H new ATOM 0 HA LEU A 45 0.852 -0.352 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.443 -0.948 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.693 0.605 4.559 1.00 0.00 H new ATOM 0 HG LEU A 45 3.754 -0.688 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.324 0.969 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.729 -0.146 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.075 1.506 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.901 1.563 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.600 2.119 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.264 0.880 7.518 1.00 0.00 H new ATOM 675 N VAL A 46 -0.205 -1.973 4.076 1.00 0.00 N ATOM 676 CA VAL A 46 -1.373 -2.222 3.243 1.00 0.00 C ATOM 677 C VAL A 46 -2.499 -2.817 4.080 1.00 0.00 C ATOM 678 O VAL A 46 -3.666 -2.469 3.912 1.00 0.00 O ATOM 679 CB VAL A 46 -1.048 -3.195 2.090 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.240 -3.350 1.159 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.174 -2.728 1.322 1.00 0.00 C ATOM 0 H VAL A 46 0.615 -2.527 3.830 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.681 -1.265 2.822 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.828 -4.171 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.986 -4.040 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.090 -3.741 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.500 -2.380 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.385 -3.428 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.014 -1.739 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.030 -2.681 1.995 1.00 0.00 H new ATOM 691 N ASN A 47 -2.122 -3.694 5.004 1.00 0.00 N ATOM 692 CA ASN A 47 -3.071 -4.377 5.874 1.00 0.00 C ATOM 693 C ASN A 47 -3.934 -3.400 6.662 1.00 0.00 C ATOM 694 O ASN A 47 -5.158 -3.400 6.516 1.00 0.00 O ATOM 695 CB ASN A 47 -2.338 -5.306 6.846 1.00 0.00 C ATOM 696 CG ASN A 47 -3.269 -6.314 7.497 1.00 0.00 C ATOM 697 OD1 ASN A 47 -4.263 -6.737 6.901 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.963 -6.699 8.724 1.00 0.00 N ATOM 0 H ASN A 47 -1.149 -3.951 5.171 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.726 -4.962 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.549 -5.836 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.855 -4.710 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.558 -7.369 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.132 -6.326 9.183 1.00 0.00 H new ATOM 705 N TRP A 48 -3.308 -2.556 7.483 1.00 0.00 N ATOM 706 CA TRP A 48 -4.067 -1.608 8.287 1.00 0.00 C ATOM 707 C TRP A 48 -4.754 -0.573 7.408 1.00 0.00 C ATOM 708 O TRP A 48 -5.813 -0.065 7.771 1.00 0.00 O ATOM 709 CB TRP A 48 -3.213 -0.952 9.389 1.00 0.00 C ATOM 710 CG TRP A 48 -2.191 0.047 8.927 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.857 -0.176 8.751 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.410 1.431 8.620 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.235 0.976 8.339 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.167 1.977 8.251 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.538 2.261 8.616 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.021 3.313 7.882 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.391 3.585 8.249 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.142 4.099 7.887 1.00 0.00 C ATOM 0 H TRP A 48 -2.296 -2.511 7.605 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.843 -2.174 8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.882 -0.457 10.093 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.698 -1.740 9.939 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.362 -1.122 8.912 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.759 1.072 8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.506 1.873 8.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.058 3.714 7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.255 4.233 8.242 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.060 5.138 7.605 1.00 0.00 H new ATOM 729 N TYR A 49 -4.166 -0.276 6.250 1.00 0.00 N ATOM 730 CA TYR A 49 -4.761 0.676 5.326 1.00 0.00 C ATOM 731 C TYR A 49 -6.141 0.182 4.922 1.00 0.00 C ATOM 732 O TYR A 49 -7.130 0.913 4.994 1.00 0.00 O ATOM 733 CB TYR A 49 -3.890 0.849 4.081 1.00 0.00 C ATOM 734 CG TYR A 49 -4.353 1.968 3.170 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.593 3.245 3.670 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.561 1.747 1.815 1.00 0.00 C ATOM 737 CE1 TYR A 49 -5.029 4.265 2.845 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.991 2.763 0.987 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.225 4.019 1.506 1.00 0.00 C ATOM 740 OH TYR A 49 -5.660 5.033 0.683 1.00 0.00 O ATOM 0 H TYR A 49 -3.284 -0.680 5.935 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.840 1.643 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.863 1.044 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.882 -0.086 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.436 3.442 4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.383 0.765 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.215 5.249 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.144 2.575 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.006 5.771 1.228 1.00 0.00 H new ATOM 750 N LEU A 50 -6.201 -1.077 4.510 1.00 0.00 N ATOM 751 CA LEU A 50 -7.457 -1.682 4.117 1.00 0.00 C ATOM 752 C LEU A 50 -8.366 -1.829 5.332 1.00 0.00 C ATOM 753 O LEU A 50 -9.561 -1.604 5.242 1.00 0.00 O ATOM 754 CB LEU A 50 -7.227 -3.050 3.481 1.00 0.00 C ATOM 755 CG LEU A 50 -6.171 -3.096 2.381 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.747 -4.533 2.136 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.696 -2.459 1.104 1.00 0.00 C ATOM 0 H LEU A 50 -5.393 -1.695 4.441 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.933 -1.033 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.941 -3.752 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.172 -3.402 3.068 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.300 -2.525 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.993 -4.561 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.331 -4.951 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.612 -5.121 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.927 -2.503 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.580 -2.998 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.957 -1.419 1.297 1.00 0.00 H new ATOM 769 N LYS A 51 -7.780 -2.184 6.474 1.00 0.00 N ATOM 770 CA LYS A 51 -8.538 -2.364 7.717 1.00 0.00 C ATOM 771 C LYS A 51 -9.259 -1.086 8.130 1.00 0.00 C ATOM 772 O LYS A 51 -10.278 -1.135 8.819 1.00 0.00 O ATOM 773 CB LYS A 51 -7.614 -2.818 8.853 1.00 0.00 C ATOM 774 CG LYS A 51 -7.659 -4.315 9.117 1.00 0.00 C ATOM 775 CD LYS A 51 -7.200 -5.105 7.904 1.00 0.00 C ATOM 776 CE LYS A 51 -7.622 -6.559 7.976 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.068 -6.705 8.299 1.00 0.00 N ATOM 0 H LYS A 51 -6.779 -2.354 6.567 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.286 -3.134 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.590 -2.531 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.888 -2.289 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.025 -4.555 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.675 -4.609 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.611 -4.653 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.115 -5.047 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.413 -7.045 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.028 -7.072 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.454 -7.529 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.183 -6.839 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.578 -5.849 8.003 1.00 0.00 H new ATOM 791 N GLU A 52 -8.735 0.047 7.701 1.00 0.00 N ATOM 792 CA GLU A 52 -9.316 1.339 8.037 1.00 0.00 C ATOM 793 C GLU A 52 -10.463 1.694 7.105 1.00 0.00 C ATOM 794 O GLU A 52 -11.493 2.209 7.537 1.00 0.00 O ATOM 795 CB GLU A 52 -8.257 2.442 7.964 1.00 0.00 C ATOM 796 CG GLU A 52 -7.315 2.473 9.152 1.00 0.00 C ATOM 797 CD GLU A 52 -8.029 2.774 10.450 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.522 3.908 10.615 1.00 0.00 O ATOM 799 OE2 GLU A 52 -8.102 1.878 11.314 1.00 0.00 O ATOM 0 H GLU A 52 -7.902 0.101 7.115 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.700 1.263 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.673 2.310 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.757 3.407 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.808 1.512 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.545 3.226 8.982 1.00 0.00 H new ATOM 806 N ILE A 53 -10.280 1.412 5.829 1.00 0.00 N ATOM 807 CA ILE A 53 -11.283 1.739 4.828 1.00 0.00 C ATOM 808 C ILE A 53 -12.295 0.615 4.625 1.00 0.00 C ATOM 809 O ILE A 53 -13.370 0.843 4.087 1.00 0.00 O ATOM 810 CB ILE A 53 -10.627 2.059 3.468 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.852 0.840 2.956 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.706 3.268 3.592 1.00 0.00 C ATOM 813 CD1 ILE A 53 -9.752 0.773 1.451 1.00 0.00 C ATOM 0 H ILE A 53 -9.446 0.957 5.459 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.808 2.616 5.207 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.410 2.299 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.847 0.856 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.336 -0.066 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.252 3.480 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.283 4.133 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.924 3.056 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.190 -0.116 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.753 0.725 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.241 1.661 1.080 1.00 0.00 H new ATOM 825 N GLU A 54 -11.976 -0.586 5.081 1.00 0.00 N ATOM 826 CA GLU A 54 -12.865 -1.734 4.883 1.00 0.00 C ATOM 827 C GLU A 54 -14.224 -1.530 5.546 1.00 0.00 C ATOM 828 O GLU A 54 -15.211 -2.159 5.164 1.00 0.00 O ATOM 829 CB GLU A 54 -12.205 -3.030 5.365 1.00 0.00 C ATOM 830 CG GLU A 54 -12.144 -3.197 6.872 1.00 0.00 C ATOM 831 CD GLU A 54 -11.516 -4.518 7.267 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.294 -4.684 7.074 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.240 -5.401 7.767 1.00 0.00 O ATOM 0 H GLU A 54 -11.116 -0.797 5.588 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.043 -1.820 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.748 -3.875 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.191 -3.073 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.570 -2.378 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.151 -3.135 7.286 1.00 0.00 H new ATOM 840 N SER A 55 -14.278 -0.642 6.526 1.00 0.00 N ATOM 841 CA SER A 55 -15.523 -0.350 7.213 1.00 0.00 C ATOM 842 C SER A 55 -16.458 0.452 6.303 1.00 0.00 C ATOM 843 O SER A 55 -17.680 0.396 6.445 1.00 0.00 O ATOM 844 CB SER A 55 -15.240 0.421 8.503 1.00 0.00 C ATOM 845 OG SER A 55 -14.004 0.018 9.074 1.00 0.00 O ATOM 0 H SER A 55 -13.474 -0.112 6.862 1.00 0.00 H new ATOM 0 HA SER A 55 -16.014 -1.289 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.217 1.491 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.047 0.253 9.216 1.00 0.00 H new ATOM 0 HG SER A 55 -13.843 0.525 9.897 1.00 0.00 H new ATOM 851 N GLU A 56 -15.879 1.187 5.357 1.00 0.00 N ATOM 852 CA GLU A 56 -16.671 1.988 4.427 1.00 0.00 C ATOM 853 C GLU A 56 -16.819 1.258 3.098 1.00 0.00 C ATOM 854 O GLU A 56 -17.739 1.531 2.330 1.00 0.00 O ATOM 855 CB GLU A 56 -16.038 3.371 4.198 1.00 0.00 C ATOM 856 CG GLU A 56 -14.710 3.324 3.461 1.00 0.00 C ATOM 857 CD GLU A 56 -14.529 4.456 2.472 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.538 4.965 1.945 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.370 4.840 2.213 1.00 0.00 O ATOM 0 H GLU A 56 -14.871 1.245 5.214 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.656 2.136 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.735 3.990 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.890 3.857 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.899 3.354 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.630 2.374 2.933 1.00 0.00 H new ATOM 866 N ILE A 57 -15.912 0.325 2.836 1.00 0.00 N ATOM 867 CA ILE A 57 -15.942 -0.439 1.599 1.00 0.00 C ATOM 868 C ILE A 57 -17.062 -1.469 1.626 1.00 0.00 C ATOM 869 O ILE A 57 -16.992 -2.466 2.346 1.00 0.00 O ATOM 870 CB ILE A 57 -14.606 -1.166 1.335 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.437 -0.174 1.286 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.681 -1.960 0.043 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.646 0.988 0.337 1.00 0.00 C ATOM 0 H ILE A 57 -15.147 0.080 3.465 1.00 0.00 H new ATOM 0 HA ILE A 57 -16.115 0.278 0.796 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.429 -1.856 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.265 0.217 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.534 -0.709 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.731 -2.466 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.479 -2.699 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.887 -1.285 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.773 1.641 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.786 0.610 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.529 1.551 0.640 1.00 0.00 H new ATOM 885 N ASP A 58 -18.093 -1.218 0.845 1.00 0.00 N ATOM 886 CA ASP A 58 -19.223 -2.128 0.754 1.00 0.00 C ATOM 887 C ASP A 58 -19.226 -2.792 -0.613 1.00 0.00 C ATOM 888 O ASP A 58 -19.953 -3.753 -0.857 1.00 0.00 O ATOM 889 CB ASP A 58 -20.533 -1.373 0.980 1.00 0.00 C ATOM 890 CG ASP A 58 -21.670 -2.293 1.370 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.627 -2.850 2.484 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.619 -2.457 0.571 1.00 0.00 O ATOM 0 H ASP A 58 -18.174 -0.387 0.260 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.132 -2.893 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.389 -0.627 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.800 -0.835 0.071 1.00 0.00 H new ATOM 897 N SER A 59 -18.383 -2.279 -1.497 1.00 0.00 N ATOM 898 CA SER A 59 -18.272 -2.799 -2.841 1.00 0.00 C ATOM 899 C SER A 59 -16.858 -3.311 -3.065 1.00 0.00 C ATOM 900 O SER A 59 -15.888 -2.646 -2.702 1.00 0.00 O ATOM 901 CB SER A 59 -18.604 -1.704 -3.853 1.00 0.00 C ATOM 902 OG SER A 59 -19.701 -0.920 -3.413 1.00 0.00 O ATOM 0 H SER A 59 -17.762 -1.495 -1.299 1.00 0.00 H new ATOM 0 HA SER A 59 -18.977 -3.619 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.733 -1.066 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.838 -2.154 -4.818 1.00 0.00 H new ATOM 0 HG SER A 59 -19.893 -0.225 -4.077 1.00 0.00 H new ATOM 908 N GLU A 60 -16.744 -4.487 -3.655 1.00 0.00 N ATOM 909 CA GLU A 60 -15.448 -5.093 -3.909 1.00 0.00 C ATOM 910 C GLU A 60 -14.584 -4.190 -4.778 1.00 0.00 C ATOM 911 O GLU A 60 -13.384 -4.074 -4.555 1.00 0.00 O ATOM 912 CB GLU A 60 -15.631 -6.460 -4.570 1.00 0.00 C ATOM 913 CG GLU A 60 -14.400 -7.343 -4.489 1.00 0.00 C ATOM 914 CD GLU A 60 -14.729 -8.781 -4.151 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.567 -9.001 -3.250 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.152 -9.690 -4.782 1.00 0.00 O ATOM 0 H GLU A 60 -17.538 -5.045 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.937 -5.227 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.468 -6.974 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.896 -6.315 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.872 -7.311 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.721 -6.944 -3.735 1.00 0.00 H new ATOM 923 N GLU A 61 -15.217 -3.526 -5.737 1.00 0.00 N ATOM 924 CA GLU A 61 -14.526 -2.627 -6.659 1.00 0.00 C ATOM 925 C GLU A 61 -13.684 -1.594 -5.914 1.00 0.00 C ATOM 926 O GLU A 61 -12.524 -1.370 -6.258 1.00 0.00 O ATOM 927 CB GLU A 61 -15.527 -1.905 -7.562 1.00 0.00 C ATOM 928 CG GLU A 61 -16.365 -2.837 -8.421 1.00 0.00 C ATOM 929 CD GLU A 61 -17.531 -3.435 -7.663 1.00 0.00 C ATOM 930 OE1 GLU A 61 -18.515 -2.716 -7.421 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.462 -4.629 -7.301 1.00 0.00 O ATOM 0 H GLU A 61 -16.222 -3.594 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.863 -3.242 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.191 -1.302 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.985 -1.217 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.741 -2.289 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.734 -3.640 -8.802 1.00 0.00 H new ATOM 938 N GLU A 62 -14.273 -0.982 -4.892 1.00 0.00 N ATOM 939 CA GLU A 62 -13.581 0.027 -4.090 1.00 0.00 C ATOM 940 C GLU A 62 -12.337 -0.564 -3.432 1.00 0.00 C ATOM 941 O GLU A 62 -11.254 0.028 -3.472 1.00 0.00 O ATOM 942 CB GLU A 62 -14.517 0.586 -3.014 1.00 0.00 C ATOM 943 CG GLU A 62 -15.777 1.231 -3.569 1.00 0.00 C ATOM 944 CD GLU A 62 -15.481 2.423 -4.452 1.00 0.00 C ATOM 945 OE1 GLU A 62 -14.787 3.354 -3.994 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.950 2.439 -5.608 1.00 0.00 O ATOM 0 H GLU A 62 -15.232 -1.166 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.276 0.835 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.801 -0.221 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.974 1.322 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.338 0.491 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.414 1.545 -2.742 1.00 0.00 H new ATOM 953 N LEU A 63 -12.501 -1.739 -2.838 1.00 0.00 N ATOM 954 CA LEU A 63 -11.401 -2.426 -2.171 1.00 0.00 C ATOM 955 C LEU A 63 -10.336 -2.856 -3.176 1.00 0.00 C ATOM 956 O LEU A 63 -9.139 -2.717 -2.918 1.00 0.00 O ATOM 957 CB LEU A 63 -11.925 -3.636 -1.398 1.00 0.00 C ATOM 958 CG LEU A 63 -11.134 -4.004 -0.138 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.762 -2.759 0.651 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.943 -4.953 0.730 1.00 0.00 C ATOM 0 H LEU A 63 -13.390 -2.239 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.941 -1.732 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.960 -3.444 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.933 -4.497 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.214 -4.501 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.201 -3.046 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.149 -2.105 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.669 -2.232 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.371 -5.207 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.876 -4.472 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.163 -5.861 0.169 1.00 0.00 H new ATOM 972 N ILE A 64 -10.778 -3.371 -4.319 1.00 0.00 N ATOM 973 CA ILE A 64 -9.863 -3.804 -5.370 1.00 0.00 C ATOM 974 C ILE A 64 -9.063 -2.615 -5.886 1.00 0.00 C ATOM 975 O ILE A 64 -7.852 -2.709 -6.098 1.00 0.00 O ATOM 976 CB ILE A 64 -10.620 -4.469 -6.543 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.331 -5.730 -6.052 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.667 -4.801 -7.686 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.377 -6.261 -7.006 1.00 0.00 C ATOM 0 H ILE A 64 -11.765 -3.499 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.188 -4.543 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.364 -3.767 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.588 -6.508 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.804 -5.517 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.223 -5.268 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.198 -3.885 -8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.898 -5.487 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.834 -7.156 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.144 -5.502 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.909 -6.508 -7.959 1.00 0.00 H new ATOM 991 N ASN A 65 -9.755 -1.493 -6.066 1.00 0.00 N ATOM 992 CA ASN A 65 -9.132 -0.263 -6.534 1.00 0.00 C ATOM 993 C ASN A 65 -8.014 0.145 -5.591 1.00 0.00 C ATOM 994 O ASN A 65 -6.900 0.434 -6.019 1.00 0.00 O ATOM 995 CB ASN A 65 -10.169 0.867 -6.623 1.00 0.00 C ATOM 996 CG ASN A 65 -9.536 2.250 -6.649 1.00 0.00 C ATOM 997 OD1 ASN A 65 -9.196 2.769 -7.712 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.384 2.862 -5.482 1.00 0.00 N ATOM 0 H ASN A 65 -10.757 -1.413 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.720 -0.442 -7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.771 0.731 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.847 0.799 -5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.973 3.795 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.678 2.400 -4.622 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.320 0.150 -4.302 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.351 0.532 -3.290 1.00 0.00 C ATOM 1007 C LYS A 66 -6.179 -0.441 -3.272 1.00 0.00 C ATOM 1008 O LYS A 66 -5.023 -0.026 -3.314 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.013 0.580 -1.916 1.00 0.00 C ATOM 1010 CG LYS A 66 -7.348 1.562 -0.969 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.689 3.001 -1.323 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.103 3.355 -0.898 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.432 4.777 -1.168 1.00 0.00 N ATOM 0 H LYS A 66 -9.235 -0.107 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.973 1.524 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.062 0.852 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.989 -0.416 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.664 1.354 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.267 1.425 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.982 3.674 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.583 3.148 -2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.810 2.714 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.222 3.152 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.407 4.972 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.775 5.391 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.345 4.966 -2.187 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.493 -1.733 -3.225 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.486 -2.783 -3.197 1.00 0.00 C ATOM 1029 C LYS A 67 -4.507 -2.679 -4.364 1.00 0.00 C ATOM 1030 O LYS A 67 -3.293 -2.720 -4.167 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.174 -4.145 -3.230 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.251 -5.304 -2.922 1.00 0.00 C ATOM 1033 CD LYS A 67 -4.936 -5.369 -1.440 1.00 0.00 C ATOM 1034 CE LYS A 67 -4.956 -6.800 -0.939 1.00 0.00 C ATOM 1035 NZ LYS A 67 -3.821 -7.597 -1.488 1.00 0.00 N ATOM 0 H LYS A 67 -7.453 -2.078 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.913 -2.666 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.994 -4.145 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.614 -4.295 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.715 -6.238 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.327 -5.198 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.956 -4.929 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.662 -4.776 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.909 -6.804 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.899 -7.270 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.131 -8.576 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.507 -7.180 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.033 -7.592 -0.809 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.034 -2.537 -5.573 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.191 -2.453 -6.758 1.00 0.00 C ATOM 1051 C ARG A 68 -3.337 -1.186 -6.757 1.00 0.00 C ATOM 1052 O ARG A 68 -2.236 -1.185 -7.291 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.033 -2.524 -8.036 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.785 -1.245 -8.355 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.560 -1.362 -9.651 1.00 0.00 C ATOM 1056 NE ARG A 68 -7.333 -0.156 -9.932 1.00 0.00 N ATOM 1057 CZ ARG A 68 -8.579 -0.165 -10.396 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -9.193 -1.321 -10.636 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -9.201 0.984 -10.626 1.00 0.00 N ATOM 0 H ARG A 68 -6.035 -2.478 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.518 -3.310 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.381 -2.768 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.749 -3.340 -7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.471 -1.013 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.081 -0.416 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.868 -1.550 -10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.231 -2.219 -9.597 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.891 0.747 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.708 -2.202 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.149 -1.326 -10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.723 1.867 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.157 0.984 -10.982 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.832 -0.116 -6.147 1.00 0.00 N ATOM 1074 CA ILE A 69 -3.089 1.135 -6.110 1.00 0.00 C ATOM 1075 C ILE A 69 -2.004 1.107 -5.039 1.00 0.00 C ATOM 1076 O ILE A 69 -0.841 1.392 -5.325 1.00 0.00 O ATOM 1077 CB ILE A 69 -4.020 2.348 -5.872 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.986 2.522 -7.049 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -3.207 3.622 -5.659 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.296 2.724 -8.382 1.00 0.00 C ATOM 0 H ILE A 69 -4.736 -0.090 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.618 1.246 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.601 2.158 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.628 1.644 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.633 3.377 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.883 4.461 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.560 3.500 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.597 3.816 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.045 2.840 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.675 3.619 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.670 1.859 -8.603 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.380 0.744 -3.814 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.429 0.696 -2.708 1.00 0.00 C ATOM 1094 C ILE A 70 -0.271 -0.255 -3.023 1.00 0.00 C ATOM 1095 O ILE A 70 0.891 0.076 -2.793 1.00 0.00 O ATOM 1096 CB ILE A 70 -2.116 0.301 -1.371 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -1.116 0.304 -0.212 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.794 -1.057 -1.472 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.635 1.684 0.184 1.00 0.00 C ATOM 0 H ILE A 70 -3.333 0.480 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.026 1.701 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.881 1.051 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.578 -0.171 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.255 -0.304 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.264 -1.301 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.553 -1.027 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.052 -1.817 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.070 1.600 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.142 2.155 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.486 2.291 0.493 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.590 -1.413 -3.591 1.00 0.00 N ATOM 1112 CA GLU A 71 0.423 -2.396 -3.942 1.00 0.00 C ATOM 1113 C GLU A 71 1.278 -1.894 -5.104 1.00 0.00 C ATOM 1114 O GLU A 71 2.503 -2.006 -5.077 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.238 -3.725 -4.313 1.00 0.00 C ATOM 1116 CG GLU A 71 0.734 -4.883 -4.423 1.00 0.00 C ATOM 1117 CD GLU A 71 1.133 -5.441 -3.071 1.00 0.00 C ATOM 1118 OE1 GLU A 71 1.999 -4.840 -2.403 1.00 0.00 O ATOM 1119 OE2 GLU A 71 0.581 -6.490 -2.672 1.00 0.00 O ATOM 0 H GLU A 71 -1.544 -1.692 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 71 1.068 -2.550 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.992 -3.966 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.758 -3.608 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.283 -5.676 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.627 -4.553 -4.954 1.00 0.00 H new ATOM 1126 N LYS A 72 0.625 -1.327 -6.116 1.00 0.00 N ATOM 1127 CA LYS A 72 1.322 -0.810 -7.292 1.00 0.00 C ATOM 1128 C LYS A 72 2.316 0.282 -6.910 1.00 0.00 C ATOM 1129 O LYS A 72 3.440 0.303 -7.409 1.00 0.00 O ATOM 1130 CB LYS A 72 0.327 -0.264 -8.316 1.00 0.00 C ATOM 1131 CG LYS A 72 0.953 0.087 -9.657 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.101 0.319 -10.729 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.926 1.567 -10.449 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.798 1.928 -11.600 1.00 0.00 N ATOM 0 H LYS A 72 -0.388 -1.214 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 72 1.871 -1.640 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.458 -1.003 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.151 0.625 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.565 0.983 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.618 -0.718 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.384 0.414 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.760 -0.548 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.542 1.404 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.259 2.399 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.856 2.963 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.398 1.534 -12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.751 1.539 -11.449 1.00 0.00 H new ATOM 1148 N VAL A 73 1.900 1.190 -6.032 1.00 0.00 N ATOM 1149 CA VAL A 73 2.772 2.273 -5.589 1.00 0.00 C ATOM 1150 C VAL A 73 4.012 1.706 -4.903 1.00 0.00 C ATOM 1151 O VAL A 73 5.140 2.100 -5.214 1.00 0.00 O ATOM 1152 CB VAL A 73 2.042 3.248 -4.637 1.00 0.00 C ATOM 1153 CG1 VAL A 73 3.014 4.259 -4.044 1.00 0.00 C ATOM 1154 CG2 VAL A 73 0.914 3.963 -5.368 1.00 0.00 C ATOM 0 H VAL A 73 0.969 1.198 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 73 3.071 2.834 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 73 1.615 2.667 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.476 4.934 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.787 3.734 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.476 4.834 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.411 4.645 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.324 4.527 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.199 3.229 -5.739 1.00 0.00 H new ATOM 1164 N ILE A 74 3.804 0.763 -3.988 1.00 0.00 N ATOM 1165 CA ILE A 74 4.912 0.140 -3.277 1.00 0.00 C ATOM 1166 C ILE A 74 5.806 -0.615 -4.260 1.00 0.00 C ATOM 1167 O ILE A 74 7.033 -0.512 -4.204 1.00 0.00 O ATOM 1168 CB ILE A 74 4.416 -0.827 -2.175 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.536 -0.087 -1.162 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.598 -1.476 -1.469 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.830 -1.005 -0.181 1.00 0.00 C ATOM 0 H ILE A 74 2.882 0.416 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 74 5.482 0.934 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 74 3.818 -1.606 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.153 0.619 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.790 0.497 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.233 -2.153 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.191 -2.036 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.217 -0.704 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.226 -0.410 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.186 -1.695 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.570 -1.571 0.385 1.00 0.00 H new ATOM 1183 N HIS A 75 5.178 -1.348 -5.179 1.00 0.00 N ATOM 1184 CA HIS A 75 5.901 -2.117 -6.192 1.00 0.00 C ATOM 1185 C HIS A 75 6.718 -1.191 -7.092 1.00 0.00 C ATOM 1186 O HIS A 75 7.862 -1.489 -7.433 1.00 0.00 O ATOM 1187 CB HIS A 75 4.923 -2.948 -7.038 1.00 0.00 C ATOM 1188 CG HIS A 75 5.560 -3.615 -8.222 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.550 -4.566 -8.110 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.350 -3.448 -9.550 1.00 0.00 C ATOM 1191 CE1 HIS A 75 6.922 -4.956 -9.313 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.212 -4.294 -10.203 1.00 0.00 N ATOM 0 H HIS A 75 4.163 -1.426 -5.243 1.00 0.00 H new ATOM 0 HA HIS A 75 6.584 -2.795 -5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.467 -3.710 -6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.119 -2.300 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.639 -2.776 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.680 -5.693 -9.532 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.290 -4.394 -11.215 1.00 0.00 H new ATOM 1201 N ARG A 76 6.122 -0.069 -7.471 1.00 0.00 N ATOM 1202 CA ARG A 76 6.787 0.905 -8.323 1.00 0.00 C ATOM 1203 C ARG A 76 8.015 1.467 -7.620 1.00 0.00 C ATOM 1204 O ARG A 76 9.089 1.607 -8.211 1.00 0.00 O ATOM 1205 CB ARG A 76 5.817 2.037 -8.683 1.00 0.00 C ATOM 1206 CG ARG A 76 6.463 3.178 -9.457 1.00 0.00 C ATOM 1207 CD ARG A 76 5.491 4.328 -9.688 1.00 0.00 C ATOM 1208 NE ARG A 76 4.443 3.977 -10.644 1.00 0.00 N ATOM 1209 CZ ARG A 76 3.608 4.855 -11.198 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.721 6.151 -10.929 1.00 0.00 N ATOM 1211 NH2 ARG A 76 2.673 4.429 -12.038 1.00 0.00 N ATOM 0 H ARG A 76 5.173 0.190 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 76 7.107 0.411 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.998 1.627 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.380 2.434 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.333 3.542 -8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.823 2.808 -10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.036 4.613 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.038 5.197 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 76 4.344 2.996 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.450 6.479 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.079 6.818 -11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.597 3.435 -12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.030 5.095 -12.466 1.00 0.00 H new ATOM 1225 N LEU A 77 7.860 1.744 -6.338 1.00 0.00 N ATOM 1226 CA LEU A 77 8.941 2.300 -5.548 1.00 0.00 C ATOM 1227 C LEU A 77 10.038 1.272 -5.271 1.00 0.00 C ATOM 1228 O LEU A 77 11.183 1.641 -5.044 1.00 0.00 O ATOM 1229 CB LEU A 77 8.397 2.859 -4.228 1.00 0.00 C ATOM 1230 CG LEU A 77 9.237 3.971 -3.593 1.00 0.00 C ATOM 1231 CD1 LEU A 77 10.307 3.391 -2.700 1.00 0.00 C ATOM 1232 CD2 LEU A 77 9.849 4.852 -4.668 1.00 0.00 C ATOM 0 H LEU A 77 6.994 1.592 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 77 9.388 3.107 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.391 3.240 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.309 2.040 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 77 8.583 4.587 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.891 4.199 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.841 2.806 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.962 2.748 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.443 5.637 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.488 4.249 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.056 5.303 -5.264 1.00 0.00 H new ATOM 1244 N THR A 78 9.706 -0.006 -5.295 1.00 0.00 N ATOM 1245 CA THR A 78 10.699 -1.036 -5.016 1.00 0.00 C ATOM 1246 C THR A 78 11.357 -1.581 -6.284 1.00 0.00 C ATOM 1247 O THR A 78 12.162 -2.510 -6.212 1.00 0.00 O ATOM 1248 CB THR A 78 10.087 -2.206 -4.223 1.00 0.00 C ATOM 1249 OG1 THR A 78 8.745 -2.451 -4.662 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.085 -1.910 -2.732 1.00 0.00 C ATOM 0 H THR A 78 8.770 -0.356 -5.501 1.00 0.00 H new ATOM 0 HA THR A 78 11.468 -0.550 -4.416 1.00 0.00 H new ATOM 0 HB THR A 78 10.697 -3.091 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.129 -1.865 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.648 -2.752 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.108 -1.754 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.497 -1.012 -2.540 1.00 0.00 H new ATOM 1258 N HIS A 79 11.035 -1.015 -7.445 1.00 0.00 N ATOM 1259 CA HIS A 79 11.622 -1.510 -8.689 1.00 0.00 C ATOM 1260 C HIS A 79 11.999 -0.387 -9.654 1.00 0.00 C ATOM 1261 O HIS A 79 13.144 -0.295 -10.085 1.00 0.00 O ATOM 1262 CB HIS A 79 10.653 -2.466 -9.388 1.00 0.00 C ATOM 1263 CG HIS A 79 11.324 -3.385 -10.361 1.00 0.00 C ATOM 1264 ND1 HIS A 79 11.626 -3.031 -11.661 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.749 -4.660 -10.213 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.207 -4.049 -12.267 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.292 -5.047 -11.410 1.00 0.00 N ATOM 0 H HIS A 79 10.388 -0.234 -7.551 1.00 0.00 H new ATOM 0 HA HIS A 79 12.538 -2.032 -8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.135 -3.061 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.895 -1.884 -9.912 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.674 -5.261 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.554 -4.062 -13.290 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.698 -5.962 -11.607 1.00 0.00 H new ATOM 1276 N TYR A 80 11.035 0.451 -9.997 1.00 0.00 N ATOM 1277 CA TYR A 80 11.266 1.534 -10.948 1.00 0.00 C ATOM 1278 C TYR A 80 12.129 2.644 -10.346 1.00 0.00 C ATOM 1279 O TYR A 80 13.162 3.009 -10.907 1.00 0.00 O ATOM 1280 CB TYR A 80 9.930 2.113 -11.430 1.00 0.00 C ATOM 1281 CG TYR A 80 8.975 1.085 -12.009 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.207 0.278 -11.182 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.833 0.936 -13.382 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.327 -0.651 -11.702 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.955 0.006 -13.912 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.204 -0.783 -13.068 1.00 0.00 C ATOM 1287 OH TYR A 80 6.320 -1.705 -13.585 1.00 0.00 O ATOM 0 H TYR A 80 10.083 0.405 -9.633 1.00 0.00 H new ATOM 0 HA TYR A 80 11.806 1.114 -11.797 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.442 2.614 -10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.129 2.873 -12.186 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.299 0.378 -10.111 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.417 1.555 -14.047 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.739 -1.271 -11.041 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.859 -0.101 -14.982 1.00 0.00 H new ATOM 0 HH TYR A 80 6.351 -1.674 -14.564 1.00 0.00 H new ATOM 1297 N ASP A 81 11.709 3.176 -9.207 1.00 0.00 N ATOM 1298 CA ASP A 81 12.443 4.262 -8.552 1.00 0.00 C ATOM 1299 C ASP A 81 13.494 3.733 -7.583 1.00 0.00 C ATOM 1300 O ASP A 81 14.678 4.054 -7.696 1.00 0.00 O ATOM 1301 CB ASP A 81 11.472 5.178 -7.808 1.00 0.00 C ATOM 1302 CG ASP A 81 10.816 6.193 -8.718 1.00 0.00 C ATOM 1303 OD1 ASP A 81 11.422 7.257 -8.962 1.00 0.00 O ATOM 1304 OD2 ASP A 81 9.691 5.935 -9.195 1.00 0.00 O ATOM 0 H ASP A 81 10.867 2.878 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 81 12.958 4.825 -9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.702 4.573 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.006 5.699 -7.014 1.00 0.00 H new ATOM 1309 N HIS A 82 13.039 2.933 -6.629 1.00 0.00 N ATOM 1310 CA HIS A 82 13.893 2.331 -5.608 1.00 0.00 C ATOM 1311 C HIS A 82 14.461 3.377 -4.642 1.00 0.00 C ATOM 1312 O HIS A 82 15.665 3.426 -4.400 1.00 0.00 O ATOM 1313 CB HIS A 82 15.024 1.503 -6.237 1.00 0.00 C ATOM 1314 CG HIS A 82 15.660 0.540 -5.274 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.871 0.774 -4.660 1.00 0.00 N ATOM 1316 CD2 HIS A 82 15.227 -0.650 -4.796 1.00 0.00 C ATOM 1317 CE1 HIS A 82 17.154 -0.223 -3.847 1.00 0.00 C ATOM 1318 NE2 HIS A 82 16.171 -1.097 -3.910 1.00 0.00 N ATOM 0 H HIS A 82 12.055 2.679 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 82 13.261 1.658 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.629 0.948 -7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.788 2.178 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 82 14.309 -1.153 -5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.039 -0.309 -3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.121 -1.969 -3.383 1.00 0.00 H new ATOM 1327 N VAL A 83 13.591 4.219 -4.088 1.00 0.00 N ATOM 1328 CA VAL A 83 14.038 5.217 -3.118 1.00 0.00 C ATOM 1329 C VAL A 83 13.924 4.630 -1.714 1.00 0.00 C ATOM 1330 O VAL A 83 14.296 5.255 -0.720 1.00 0.00 O ATOM 1331 CB VAL A 83 13.261 6.555 -3.203 1.00 0.00 C ATOM 1332 CG1 VAL A 83 13.066 6.969 -4.649 1.00 0.00 C ATOM 1333 CG2 VAL A 83 11.926 6.484 -2.476 1.00 0.00 C ATOM 0 H VAL A 83 12.591 4.232 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 83 15.075 5.457 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 83 13.862 7.314 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.518 7.911 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 83 14.038 7.095 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.501 6.199 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.414 7.443 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.310 5.703 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.096 6.255 -1.424 1.00 0.00 H new ATOM 1343 N LEU A 84 13.405 3.411 -1.658 1.00 0.00 N ATOM 1344 CA LEU A 84 13.253 2.693 -0.406 1.00 0.00 C ATOM 1345 C LEU A 84 14.524 1.916 -0.094 1.00 0.00 C ATOM 1346 O LEU A 84 15.160 1.348 -0.984 1.00 0.00 O ATOM 1347 CB LEU A 84 12.061 1.733 -0.495 1.00 0.00 C ATOM 1348 CG LEU A 84 11.896 0.765 0.679 1.00 0.00 C ATOM 1349 CD1 LEU A 84 10.489 0.856 1.252 1.00 0.00 C ATOM 1350 CD2 LEU A 84 12.200 -0.657 0.238 1.00 0.00 C ATOM 0 H LEU A 84 13.080 2.897 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 84 13.072 3.411 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.149 2.323 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.156 1.150 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 84 12.603 1.044 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.390 0.161 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.304 1.871 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.764 0.601 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.078 -1.334 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.515 -0.945 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.225 -0.713 -0.127 1.00 0.00 H new ATOM 1362 N ILE A 85 14.877 1.912 1.176 1.00 0.00 N ATOM 1363 CA ILE A 85 16.063 1.241 1.662 1.00 0.00 C ATOM 1364 C ILE A 85 15.726 -0.171 2.125 1.00 0.00 C ATOM 1365 O ILE A 85 14.758 -0.379 2.859 1.00 0.00 O ATOM 1366 CB ILE A 85 16.670 2.020 2.848 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.693 3.520 2.545 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.069 1.521 3.162 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.352 4.382 3.740 1.00 0.00 C ATOM 0 H ILE A 85 14.341 2.380 1.907 1.00 0.00 H new ATOM 0 HA ILE A 85 16.782 1.195 0.844 1.00 0.00 H new ATOM 0 HB ILE A 85 16.044 1.851 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.683 3.794 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.987 3.731 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.477 2.085 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.028 0.463 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.708 1.656 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.388 5.433 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.350 4.136 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.072 4.199 4.538 1.00 0.00 H new ATOM 1381 N GLU A 86 16.512 -1.135 1.686 1.00 0.00 N ATOM 1382 CA GLU A 86 16.307 -2.517 2.079 1.00 0.00 C ATOM 1383 C GLU A 86 17.526 -3.015 2.841 1.00 0.00 C ATOM 1384 O GLU A 86 18.643 -3.018 2.317 1.00 0.00 O ATOM 1385 CB GLU A 86 16.019 -3.402 0.861 1.00 0.00 C ATOM 1386 CG GLU A 86 16.888 -3.102 -0.349 1.00 0.00 C ATOM 1387 CD GLU A 86 16.521 -3.950 -1.550 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.321 -5.173 -1.385 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.415 -3.395 -2.667 1.00 0.00 O ATOM 0 H GLU A 86 17.300 -0.987 1.056 1.00 0.00 H new ATOM 0 HA GLU A 86 15.435 -2.572 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.158 -4.446 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.972 -3.284 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.792 -2.048 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.934 -3.273 -0.093 1.00 0.00 H new ATOM 1672 N TYR A 107 14.159 -6.112 5.872 1.00 0.00 N ATOM 1673 CA TYR A 107 13.460 -4.996 6.487 1.00 0.00 C ATOM 1674 C TYR A 107 13.462 -3.805 5.540 1.00 0.00 C ATOM 1675 O TYR A 107 14.519 -3.385 5.066 1.00 0.00 O ATOM 1676 CB TYR A 107 14.112 -4.622 7.818 1.00 0.00 C ATOM 1677 CG TYR A 107 13.674 -5.503 8.964 1.00 0.00 C ATOM 1678 CD1 TYR A 107 14.282 -6.730 9.199 1.00 0.00 C ATOM 1679 CD2 TYR A 107 12.648 -5.106 9.812 1.00 0.00 C ATOM 1680 CE1 TYR A 107 13.875 -7.537 10.244 1.00 0.00 C ATOM 1681 CE2 TYR A 107 12.236 -5.907 10.859 1.00 0.00 C ATOM 1682 CZ TYR A 107 12.853 -7.120 11.072 1.00 0.00 C ATOM 1683 OH TYR A 107 12.445 -7.920 12.114 1.00 0.00 O ATOM 0 HA TYR A 107 12.429 -5.290 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.195 -4.684 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.873 -3.585 8.054 1.00 0.00 H new ATOM 0 HD1 TYR A 107 15.085 -7.058 8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.164 -4.154 9.650 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.355 -8.490 10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.435 -5.584 11.507 1.00 0.00 H new ATOM 0 HH TYR A 107 11.717 -7.479 12.600 1.00 0.00 H new ATOM 1693 N LEU A 108 12.282 -3.276 5.257 1.00 0.00 N ATOM 1694 CA LEU A 108 12.149 -2.150 4.345 1.00 0.00 C ATOM 1695 C LEU A 108 11.919 -0.842 5.088 1.00 0.00 C ATOM 1696 O LEU A 108 11.237 -0.799 6.115 1.00 0.00 O ATOM 1697 CB LEU A 108 10.985 -2.388 3.383 1.00 0.00 C ATOM 1698 CG LEU A 108 11.060 -3.675 2.565 1.00 0.00 C ATOM 1699 CD1 LEU A 108 9.929 -3.715 1.551 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.408 -3.792 1.869 1.00 0.00 C ATOM 0 H LEU A 108 11.400 -3.609 5.647 1.00 0.00 H new ATOM 0 HA LEU A 108 13.085 -2.070 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.058 -2.396 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.926 -1.544 2.696 1.00 0.00 H new ATOM 0 HG LEU A 108 10.954 -4.524 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.991 -4.637 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.972 -3.677 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.011 -2.860 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.440 -4.716 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.548 -2.942 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.203 -3.802 2.615 1.00 0.00 H new ATOM 1712 N VAL A 109 12.506 0.219 4.560 1.00 0.00 N ATOM 1713 CA VAL A 109 12.364 1.551 5.128 1.00 0.00 C ATOM 1714 C VAL A 109 12.417 2.585 4.004 1.00 0.00 C ATOM 1715 O VAL A 109 13.223 2.461 3.090 1.00 0.00 O ATOM 1716 CB VAL A 109 13.460 1.831 6.194 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.773 1.157 5.821 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.675 3.323 6.402 1.00 0.00 C ATOM 0 H VAL A 109 13.094 0.183 3.727 1.00 0.00 H new ATOM 0 HA VAL A 109 11.401 1.619 5.634 1.00 0.00 H new ATOM 0 HB VAL A 109 13.106 1.408 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.521 1.370 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.622 0.080 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.117 1.538 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.448 3.478 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.986 3.780 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.745 3.781 6.738 1.00 0.00 H new ATOM 1728 N VAL A 110 11.563 3.595 4.058 1.00 0.00 N ATOM 1729 CA VAL A 110 11.543 4.612 3.011 1.00 0.00 C ATOM 1730 C VAL A 110 11.841 5.990 3.592 1.00 0.00 C ATOM 1731 O VAL A 110 11.775 6.186 4.806 1.00 0.00 O ATOM 1732 CB VAL A 110 10.188 4.619 2.253 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.096 5.303 3.066 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.337 5.267 0.878 1.00 0.00 C ATOM 0 H VAL A 110 10.882 3.735 4.804 1.00 0.00 H new ATOM 0 HA VAL A 110 12.324 4.363 2.293 1.00 0.00 H new ATOM 0 HB VAL A 110 9.885 3.582 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.162 5.289 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.960 4.775 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.384 6.335 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.375 5.260 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.678 6.296 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.065 4.708 0.289 1.00 0.00 H new ATOM 1744 N ASN A 111 12.190 6.931 2.728 1.00 0.00 N ATOM 1745 CA ASN A 111 12.508 8.283 3.155 1.00 0.00 C ATOM 1746 C ASN A 111 11.342 9.236 2.876 1.00 0.00 C ATOM 1747 O ASN A 111 10.432 8.908 2.112 1.00 0.00 O ATOM 1748 CB ASN A 111 13.793 8.780 2.465 1.00 0.00 C ATOM 1749 CG ASN A 111 13.689 8.912 0.947 1.00 0.00 C ATOM 1750 OD1 ASN A 111 12.605 8.966 0.369 1.00 0.00 O ATOM 1751 ND2 ASN A 111 14.833 8.991 0.290 1.00 0.00 N ATOM 0 H ASN A 111 12.260 6.781 1.722 1.00 0.00 H new ATOM 0 HA ASN A 111 12.678 8.266 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.063 9.750 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.606 8.094 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.832 9.100 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.717 8.943 0.797 1.00 0.00 H new ATOM 1758 N PRO A 112 11.341 10.419 3.518 1.00 0.00 N ATOM 1759 CA PRO A 112 10.297 11.428 3.317 1.00 0.00 C ATOM 1760 C PRO A 112 10.516 12.222 2.032 1.00 0.00 C ATOM 1761 O PRO A 112 9.753 13.133 1.704 1.00 0.00 O ATOM 1762 CB PRO A 112 10.449 12.331 4.538 1.00 0.00 C ATOM 1763 CG PRO A 112 11.889 12.236 4.906 1.00 0.00 C ATOM 1764 CD PRO A 112 12.337 10.852 4.520 1.00 0.00 C ATOM 0 HA PRO A 112 9.305 10.988 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.167 13.358 4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.809 12.001 5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.474 12.993 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.029 12.406 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.344 10.860 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.354 10.183 5.381 1.00 0.00 H new ATOM 1772 N ASN A 113 11.576 11.869 1.314 1.00 0.00 N ATOM 1773 CA ASN A 113 11.914 12.526 0.059 1.00 0.00 C ATOM 1774 C ASN A 113 10.955 12.084 -1.034 1.00 0.00 C ATOM 1775 O ASN A 113 10.151 12.879 -1.523 1.00 0.00 O ATOM 1776 CB ASN A 113 13.354 12.194 -0.350 1.00 0.00 C ATOM 1777 CG ASN A 113 14.384 12.802 0.580 1.00 0.00 C ATOM 1778 OD1 ASN A 113 14.670 12.264 1.652 1.00 0.00 O ATOM 1779 ND2 ASN A 113 14.960 13.917 0.171 1.00 0.00 N ATOM 0 H ASN A 113 12.220 11.125 1.583 1.00 0.00 H new ATOM 0 HA ASN A 113 11.829 13.604 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.481 11.112 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.531 12.552 -1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 113 15.671 14.366 0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.695 14.330 -0.723 1.00 0.00 H new ATOM 1786 N TYR A 114 11.039 10.805 -1.388 1.00 0.00 N ATOM 1787 CA TYR A 114 10.194 10.213 -2.416 1.00 0.00 C ATOM 1788 C TYR A 114 10.309 10.968 -3.744 1.00 0.00 C ATOM 1789 O TYR A 114 11.289 11.671 -3.987 1.00 0.00 O ATOM 1790 CB TYR A 114 8.742 10.180 -1.940 1.00 0.00 C ATOM 1791 CG TYR A 114 8.147 8.788 -1.893 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.979 8.042 -3.052 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.752 8.220 -0.688 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.433 6.772 -3.013 1.00 0.00 C ATOM 1795 CE2 TYR A 114 7.208 6.951 -0.641 1.00 0.00 C ATOM 1796 CZ TYR A 114 7.049 6.233 -1.804 1.00 0.00 C ATOM 1797 OH TYR A 114 6.501 4.971 -1.759 1.00 0.00 O ATOM 0 H TYR A 114 11.698 10.149 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 114 10.537 9.193 -2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.685 10.623 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 114 8.138 10.801 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.280 8.461 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.872 8.780 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.308 6.206 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 114 6.909 6.524 0.305 1.00 0.00 H new ATOM 0 HH TYR A 114 6.286 4.741 -0.831 1.00 0.00 H new ATOM 1807 N LEU A 115 9.315 10.797 -4.606 1.00 0.00 N ATOM 1808 CA LEU A 115 9.299 11.458 -5.905 1.00 0.00 C ATOM 1809 C LEU A 115 7.907 11.992 -6.208 1.00 0.00 C ATOM 1810 O LEU A 115 7.516 12.133 -7.367 1.00 0.00 O ATOM 1811 CB LEU A 115 9.772 10.515 -7.038 1.00 0.00 C ATOM 1812 CG LEU A 115 9.329 9.032 -6.988 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.130 8.254 -5.959 1.00 0.00 C ATOM 1814 CD2 LEU A 115 7.834 8.887 -6.725 1.00 0.00 C ATOM 0 H LEU A 115 8.505 10.203 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 115 10.000 12.291 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.429 10.933 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.862 10.537 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 115 9.530 8.610 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.796 7.216 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.188 8.292 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.981 8.694 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.570 7.830 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.587 9.347 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.275 9.381 -7.520 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.929 -9.557 -4.780 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.603 -9.287 -3.534 1.00 0.00 C ATOM 2022 C LEU B 390 -6.111 -10.268 -2.488 1.00 0.00 C ATOM 2023 O LEU B 390 -5.583 -9.860 -1.455 1.00 0.00 O ATOM 2024 CB LEU B 390 -8.113 -9.422 -3.722 1.00 0.00 C ATOM 2025 CG LEU B 390 -8.690 -8.587 -4.865 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -10.130 -8.980 -5.146 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -8.585 -7.101 -4.559 1.00 0.00 C ATOM 0 HA LEU B 390 -6.386 -8.270 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -8.351 -10.471 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -8.608 -9.135 -2.794 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.102 -8.789 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -10.520 -8.373 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -10.172 -10.033 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -10.733 -8.817 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -9.002 -6.529 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -9.139 -6.877 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.538 -6.831 -4.422 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.268 -11.564 -2.796 1.00 0.00 N ATOM 2040 CA GLU B 391 -5.840 -12.668 -1.926 1.00 0.00 C ATOM 2041 C GLU B 391 -6.241 -12.418 -0.476 1.00 0.00 C ATOM 2042 O GLU B 391 -5.617 -12.904 0.468 1.00 0.00 O ATOM 2043 CB GLU B 391 -4.333 -12.849 -2.056 1.00 0.00 C ATOM 2044 CG GLU B 391 -3.826 -14.203 -1.595 1.00 0.00 C ATOM 2045 CD GLU B 391 -2.327 -14.315 -1.712 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -1.832 -14.558 -2.830 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -1.633 -14.152 -0.688 1.00 0.00 O ATOM 0 H GLU B 391 -6.700 -11.878 -3.665 1.00 0.00 H new ATOM 0 HA GLU B 391 -6.340 -13.584 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -4.050 -12.703 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -3.834 -12.071 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -4.122 -14.367 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.296 -14.987 -2.189 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.296 -11.650 -0.331 1.00 0.00 N ATOM 2055 CA ARG B 392 -7.823 -11.281 0.958 1.00 0.00 C ATOM 2056 C ARG B 392 -9.221 -10.732 0.771 1.00 0.00 C ATOM 2057 O ARG B 392 -10.142 -11.039 1.524 1.00 0.00 O ATOM 2058 CB ARG B 392 -6.936 -10.220 1.586 1.00 0.00 C ATOM 2059 CG ARG B 392 -7.495 -9.677 2.881 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.294 -8.178 2.992 1.00 0.00 C ATOM 2061 NE ARG B 392 -8.476 -7.515 3.545 1.00 0.00 N ATOM 2062 CZ ARG B 392 -8.431 -6.484 4.386 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -7.259 -5.982 4.771 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -9.563 -5.968 4.853 1.00 0.00 N ATOM 0 H ARG B 392 -7.817 -11.260 -1.116 1.00 0.00 H new ATOM 0 HA ARG B 392 -7.851 -12.152 1.612 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -5.948 -10.642 1.771 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -6.804 -9.400 0.881 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.559 -9.907 2.944 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -7.011 -10.173 3.723 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -6.431 -7.972 3.625 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -7.072 -7.766 2.007 1.00 0.00 H new ATOM 0 HE ARG B 392 -9.393 -7.865 3.268 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -6.391 -6.388 4.421 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -7.230 -5.192 5.416 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -10.459 -6.362 4.567 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -9.536 -5.178 5.498 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.358 -9.906 -0.259 1.00 0.00 N ATOM 2079 CA ILE B 393 -10.635 -9.310 -0.596 1.00 0.00 C ATOM 2080 C ILE B 393 -11.606 -10.412 -1.037 1.00 0.00 C ATOM 2081 O ILE B 393 -12.823 -10.272 -0.952 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.473 -8.243 -1.702 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -9.788 -6.994 -1.145 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -11.807 -7.868 -2.321 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -8.282 -7.088 -1.112 1.00 0.00 C ATOM 0 H ILE B 393 -8.592 -9.635 -0.876 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.038 -8.808 0.284 1.00 0.00 H new ATOM 0 HB ILE B 393 -9.850 -8.677 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.076 -6.133 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -10.153 -6.811 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.651 -7.116 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.264 -8.753 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.465 -7.466 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -7.869 -6.165 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -7.984 -7.927 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -7.905 -7.239 -2.123 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.033 -11.531 -1.467 1.00 0.00 N ATOM 2098 CA ARG B 394 -11.807 -12.682 -1.906 1.00 0.00 C ATOM 2099 C ARG B 394 -12.621 -13.223 -0.735 1.00 0.00 C ATOM 2100 O ARG B 394 -13.802 -13.540 -0.876 1.00 0.00 O ATOM 2101 CB ARG B 394 -10.867 -13.754 -2.469 1.00 0.00 C ATOM 2102 CG ARG B 394 -9.923 -13.228 -3.550 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.573 -13.268 -4.931 1.00 0.00 C ATOM 2104 NE ARG B 394 -11.825 -12.504 -4.993 1.00 0.00 N ATOM 2105 CZ ARG B 394 -12.926 -12.923 -5.627 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -12.928 -14.088 -6.265 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -14.022 -12.174 -5.636 1.00 0.00 N ATOM 0 H ARG B 394 -10.023 -11.664 -1.520 1.00 0.00 H new ATOM 0 HA ARG B 394 -12.496 -12.386 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.277 -14.173 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.463 -14.568 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -9.632 -12.204 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -9.011 -13.824 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -9.874 -12.872 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -10.771 -14.304 -5.204 1.00 0.00 H new ATOM 0 HE ARG B 394 -11.857 -11.599 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -12.088 -14.667 -6.273 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -13.769 -14.404 -6.747 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -14.028 -11.273 -5.158 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -14.858 -12.499 -6.121 1.00 0.00 H new ATOM 2121 N ALA B 395 -11.984 -13.313 0.428 1.00 0.00 N ATOM 2122 CA ALA B 395 -12.657 -13.769 1.636 1.00 0.00 C ATOM 2123 C ALA B 395 -13.599 -12.680 2.133 1.00 0.00 C ATOM 2124 O ALA B 395 -14.613 -12.958 2.780 1.00 0.00 O ATOM 2125 CB ALA B 395 -11.645 -14.134 2.710 1.00 0.00 C ATOM 0 H ALA B 395 -11.001 -13.075 0.558 1.00 0.00 H new ATOM 0 HA ALA B 395 -13.235 -14.664 1.405 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -12.169 -14.472 3.604 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -10.999 -14.932 2.345 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.041 -13.260 2.953 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.246 -11.434 1.818 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.048 -10.275 2.190 1.00 0.00 C ATOM 2133 C LYS B 396 -15.401 -10.340 1.491 1.00 0.00 C ATOM 2134 O LYS B 396 -16.408 -9.863 2.020 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.307 -8.973 1.825 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.215 -7.798 1.473 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.389 -7.654 -0.036 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.601 -6.807 -0.384 1.00 0.00 C ATOM 2139 NZ LYS B 396 -16.522 -7.520 -1.308 1.00 0.00 N ATOM 0 H LYS B 396 -12.399 -11.203 1.300 1.00 0.00 H new ATOM 0 HA LYS B 396 -14.210 -10.283 3.268 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.672 -8.685 2.663 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -12.648 -9.171 0.980 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.190 -7.938 1.940 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -13.795 -6.878 1.881 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.494 -7.202 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.494 -8.641 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -16.134 -6.542 0.529 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.274 -5.875 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -17.090 -6.827 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.968 -8.094 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -17.153 -8.139 -0.760 1.00 0.00 H new