USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 21 CYS SG : rot -130:sc= -2.15! USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.313 USER MOD Single : A 29 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.39) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.3) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.801 F(o=-2.5!,f=-0.8) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0.12 (180deg=0.117) USER MOD Single : A 65 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.6!) USER MOD Single : A 95 LYS NZ :NH3+ -161:sc=-0.00473 (180deg=-0.154) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 99 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7) USER MOD Single : A 100 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.028) USER MOD Single : A 108 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -4.24! C(o=-5.5!,f=-4.2!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 169:sc= 0 (180deg=-0.113) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.183 -3.841 6.567 1.00 0.00 N ATOM 141 CA VAL A 13 -59.164 -2.412 6.832 1.00 0.00 C ATOM 142 C VAL A 13 -59.886 -2.133 8.152 1.00 0.00 C ATOM 143 O VAL A 13 -60.875 -2.789 8.473 1.00 0.00 O ATOM 144 CB VAL A 13 -59.766 -1.653 5.648 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.189 -0.241 6.061 1.00 0.00 C ATOM 146 CG2 VAL A 13 -58.790 -1.610 4.471 1.00 0.00 C ATOM 0 HA VAL A 13 -58.139 -2.057 6.941 1.00 0.00 H new ATOM 0 HB VAL A 13 -60.658 -2.190 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.614 0.278 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.935 -0.302 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.320 0.308 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.243 -1.065 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -57.872 -1.108 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -58.559 -2.627 4.153 1.00 0.00 H new ATOM 156 N GLU A 14 -59.362 -1.158 8.880 1.00 0.00 N ATOM 157 CA GLU A 14 -59.945 -0.783 10.158 1.00 0.00 C ATOM 158 C GLU A 14 -60.188 0.727 10.208 1.00 0.00 C ATOM 159 O GLU A 14 -59.432 1.500 9.623 1.00 0.00 O ATOM 160 CB GLU A 14 -59.057 -1.234 11.319 1.00 0.00 C ATOM 161 CG GLU A 14 -59.454 -2.630 11.803 1.00 0.00 C ATOM 162 CD GLU A 14 -60.296 -2.549 13.078 1.00 0.00 C ATOM 163 OE1 GLU A 14 -60.089 -1.576 13.834 1.00 0.00 O ATOM 164 OE2 GLU A 14 -61.128 -3.463 13.268 1.00 0.00 O ATOM 0 H GLU A 14 -58.541 -0.616 8.610 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.905 -1.289 10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -58.014 -1.238 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -59.139 -0.523 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -60.017 -3.143 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -58.558 -3.222 11.991 1.00 0.00 H new ATOM 171 N ILE A 15 -61.246 1.100 10.913 1.00 0.00 N ATOM 172 CA ILE A 15 -61.598 2.503 11.047 1.00 0.00 C ATOM 173 C ILE A 15 -60.808 3.115 12.206 1.00 0.00 C ATOM 174 O ILE A 15 -60.361 2.400 13.102 1.00 0.00 O ATOM 175 CB ILE A 15 -63.114 2.665 11.183 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.854 1.682 10.273 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.536 4.113 10.926 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.484 1.908 8.806 1.00 0.00 C ATOM 0 H ILE A 15 -61.871 0.455 11.397 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.321 3.052 10.147 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.392 2.426 12.209 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.609 0.660 10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.930 1.800 10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.618 4.200 11.029 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.049 4.768 11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.243 4.404 9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -64.024 1.197 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.753 2.923 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.411 1.765 8.675 1.00 0.00 H new ATOM 190 N GLY A 16 -60.661 4.430 12.151 1.00 0.00 N ATOM 191 CA GLY A 16 -59.933 5.145 13.185 1.00 0.00 C ATOM 192 C GLY A 16 -58.454 5.287 12.817 1.00 0.00 C ATOM 193 O GLY A 16 -57.794 6.235 13.238 1.00 0.00 O ATOM 0 H GLY A 16 -61.034 5.019 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.372 6.132 13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.026 4.615 14.133 1.00 0.00 H new ATOM 197 N GLU A 17 -57.978 4.330 12.034 1.00 0.00 N ATOM 198 CA GLU A 17 -56.590 4.335 11.604 1.00 0.00 C ATOM 199 C GLU A 17 -56.449 5.082 10.276 1.00 0.00 C ATOM 200 O GLU A 17 -57.437 5.309 9.579 1.00 0.00 O ATOM 201 CB GLU A 17 -56.045 2.910 11.492 1.00 0.00 C ATOM 202 CG GLU A 17 -55.634 2.371 12.864 1.00 0.00 C ATOM 203 CD GLU A 17 -56.446 1.127 13.230 1.00 0.00 C ATOM 204 OE1 GLU A 17 -57.620 1.310 13.620 1.00 0.00 O ATOM 205 OE2 GLU A 17 -55.875 0.022 13.112 1.00 0.00 O ATOM 0 H GLU A 17 -58.529 3.545 11.686 1.00 0.00 H new ATOM 0 HA GLU A 17 -55.999 4.856 12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -56.803 2.260 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -55.187 2.897 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.571 2.128 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -55.782 3.142 13.621 1.00 0.00 H new ATOM 212 N THR A 18 -55.213 5.444 9.966 1.00 0.00 N ATOM 213 CA THR A 18 -54.930 6.160 8.734 1.00 0.00 C ATOM 214 C THR A 18 -54.191 5.253 7.747 1.00 0.00 C ATOM 215 O THR A 18 -53.353 4.446 8.148 1.00 0.00 O ATOM 216 CB THR A 18 -54.153 7.428 9.092 1.00 0.00 C ATOM 217 OG1 THR A 18 -55.061 8.175 9.898 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.906 8.327 7.878 1.00 0.00 C ATOM 0 H THR A 18 -54.396 5.255 10.547 1.00 0.00 H new ATOM 0 HA THR A 18 -55.849 6.456 8.229 1.00 0.00 H new ATOM 0 HB THR A 18 -53.198 7.154 9.540 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.637 9.014 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.351 9.212 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.330 7.780 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.861 8.629 7.449 1.00 0.00 H new ATOM 226 N TYR A 19 -54.527 5.417 6.476 1.00 0.00 N ATOM 227 CA TYR A 19 -53.906 4.623 5.430 1.00 0.00 C ATOM 228 C TYR A 19 -53.496 5.502 4.246 1.00 0.00 C ATOM 229 O TYR A 19 -54.031 6.595 4.065 1.00 0.00 O ATOM 230 CB TYR A 19 -54.971 3.628 4.966 1.00 0.00 C ATOM 231 CG TYR A 19 -55.399 2.629 6.043 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.053 3.071 7.175 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.132 1.284 5.882 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.456 2.131 8.188 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.534 0.344 6.895 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.177 0.813 7.998 1.00 0.00 C ATOM 237 OH TYR A 19 -56.557 -0.075 8.955 1.00 0.00 O ATOM 0 H TYR A 19 -55.221 6.088 6.147 1.00 0.00 H new ATOM 0 HA TYR A 19 -53.009 4.130 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.848 4.181 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.590 3.078 4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.263 4.123 7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.621 0.937 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -56.968 2.464 9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.330 -0.710 6.782 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.294 -0.980 8.685 1.00 0.00 H new ATOM 247 N LEU A 20 -52.551 4.991 3.470 1.00 0.00 N ATOM 248 CA LEU A 20 -52.064 5.715 2.309 1.00 0.00 C ATOM 249 C LEU A 20 -53.012 5.480 1.131 1.00 0.00 C ATOM 250 O LEU A 20 -53.163 4.351 0.667 1.00 0.00 O ATOM 251 CB LEU A 20 -50.611 5.338 2.013 1.00 0.00 C ATOM 252 CG LEU A 20 -49.616 5.551 3.155 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.544 7.028 3.550 1.00 0.00 C ATOM 254 CD2 LEU A 20 -49.951 4.654 4.349 1.00 0.00 C ATOM 0 H LEU A 20 -52.110 4.084 3.623 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.058 6.787 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.581 4.288 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.275 5.916 1.152 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.625 5.262 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.830 7.153 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.223 7.619 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.528 7.366 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.228 4.825 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.952 4.888 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -49.911 3.609 4.042 1.00 0.00 H new ATOM 266 N CYS A 21 -53.627 6.565 0.683 1.00 0.00 N ATOM 267 CA CYS A 21 -54.557 6.491 -0.431 1.00 0.00 C ATOM 268 C CYS A 21 -53.826 6.939 -1.698 1.00 0.00 C ATOM 269 O CYS A 21 -52.992 7.843 -1.651 1.00 0.00 O ATOM 270 CB CYS A 21 -55.815 7.323 -0.174 1.00 0.00 C ATOM 271 SG CYS A 21 -57.212 6.664 -1.156 1.00 0.00 S ATOM 0 H CYS A 21 -53.499 7.500 1.071 1.00 0.00 H new ATOM 0 HA CYS A 21 -54.899 5.463 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.064 7.303 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.633 8.364 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.784 7.636 -1.803 1.00 0.00 H new ATOM 277 N ARG A 22 -54.163 6.287 -2.801 1.00 0.00 N ATOM 278 CA ARG A 22 -53.549 6.607 -4.078 1.00 0.00 C ATOM 279 C ARG A 22 -53.889 8.042 -4.485 1.00 0.00 C ATOM 280 O ARG A 22 -54.995 8.517 -4.233 1.00 0.00 O ATOM 281 CB ARG A 22 -54.022 5.648 -5.172 1.00 0.00 C ATOM 282 CG ARG A 22 -52.984 5.538 -6.291 1.00 0.00 C ATOM 283 CD ARG A 22 -52.355 4.143 -6.320 1.00 0.00 C ATOM 284 NE ARG A 22 -52.012 3.772 -7.711 1.00 0.00 N ATOM 285 CZ ARG A 22 -52.916 3.470 -8.653 1.00 0.00 C ATOM 286 NH1 ARG A 22 -54.224 3.494 -8.359 1.00 0.00 N ATOM 287 NH2 ARG A 22 -52.514 3.144 -9.888 1.00 0.00 N ATOM 0 H ARG A 22 -54.854 5.538 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.470 6.504 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.205 4.663 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.969 5.998 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -53.455 5.748 -7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -52.207 6.288 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.459 4.126 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.048 3.414 -5.901 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.026 3.744 -7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -54.531 3.742 -7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -54.912 3.264 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.519 3.125 -10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -53.203 2.914 -10.604 1.00 0.00 H new ATOM 376 N TRP A 28 -48.652 9.017 -2.843 1.00 0.00 N ATOM 377 CA TRP A 28 -49.520 8.423 -1.841 1.00 0.00 C ATOM 378 C TRP A 28 -49.641 9.409 -0.677 1.00 0.00 C ATOM 379 O TRP A 28 -48.636 9.820 -0.100 1.00 0.00 O ATOM 380 CB TRP A 28 -49.001 7.050 -1.410 1.00 0.00 C ATOM 381 CG TRP A 28 -49.196 5.954 -2.459 1.00 0.00 C ATOM 382 CD1 TRP A 28 -48.584 5.827 -3.644 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.094 4.827 -2.369 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.019 4.707 -4.322 1.00 0.00 N ATOM 385 CE2 TRP A 28 -49.966 4.079 -3.521 1.00 0.00 C ATOM 386 CE3 TRP A 28 -50.983 4.452 -1.346 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -50.698 2.909 -3.761 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.707 3.281 -1.601 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.591 2.517 -2.757 1.00 0.00 C ATOM 0 HA TRP A 28 -50.514 8.242 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -47.939 7.131 -1.177 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -49.507 6.754 -0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -47.843 6.516 -4.021 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -48.704 4.397 -5.241 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.098 5.022 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -50.580 2.340 -4.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.405 2.948 -0.847 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.187 1.625 -2.880 1.00 0.00 H new ATOM 400 N HIS A 29 -50.881 9.758 -0.366 1.00 0.00 N ATOM 401 CA HIS A 29 -51.146 10.688 0.719 1.00 0.00 C ATOM 402 C HIS A 29 -51.953 9.984 1.812 1.00 0.00 C ATOM 403 O HIS A 29 -52.871 9.221 1.516 1.00 0.00 O ATOM 404 CB HIS A 29 -51.832 11.952 0.196 1.00 0.00 C ATOM 405 CG HIS A 29 -50.966 13.187 0.249 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.206 13.523 1.356 1.00 0.00 N ATOM 407 CD2 HIS A 29 -50.746 14.162 -0.679 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.563 14.652 1.095 1.00 0.00 C ATOM 409 NE2 HIS A 29 -49.900 15.047 -0.167 1.00 0.00 N ATOM 0 H HIS A 29 -51.713 9.414 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.205 11.013 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.144 11.784 -0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.736 12.130 0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -51.186 14.206 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -48.890 15.169 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -49.558 15.884 -0.639 1.00 0.00 H new ATOM 417 N SER A 30 -51.582 10.266 3.052 1.00 0.00 N ATOM 418 CA SER A 30 -52.260 9.670 4.190 1.00 0.00 C ATOM 419 C SER A 30 -53.715 10.140 4.238 1.00 0.00 C ATOM 420 O SER A 30 -54.001 11.312 3.996 1.00 0.00 O ATOM 421 CB SER A 30 -51.547 10.017 5.499 1.00 0.00 C ATOM 422 OG SER A 30 -51.342 11.420 5.640 1.00 0.00 O ATOM 0 H SER A 30 -50.820 10.900 3.294 1.00 0.00 H new ATOM 0 HA SER A 30 -52.239 8.587 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.135 9.650 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.586 9.505 5.535 1.00 0.00 H new ATOM 0 HG SER A 30 -50.886 11.600 6.488 1.00 0.00 H new ATOM 428 N ALA A 31 -54.596 9.202 4.551 1.00 0.00 N ATOM 429 CA ALA A 31 -56.015 9.505 4.633 1.00 0.00 C ATOM 430 C ALA A 31 -56.641 8.693 5.769 1.00 0.00 C ATOM 431 O ALA A 31 -56.571 7.465 5.770 1.00 0.00 O ATOM 432 CB ALA A 31 -56.676 9.224 3.283 1.00 0.00 C ATOM 0 H ALA A 31 -54.355 8.231 4.751 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.169 10.560 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.740 9.451 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.216 9.847 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.544 8.173 3.025 1.00 0.00 H new ATOM 438 N GLU A 32 -57.238 9.412 6.708 1.00 0.00 N ATOM 439 CA GLU A 32 -57.875 8.774 7.847 1.00 0.00 C ATOM 440 C GLU A 32 -59.166 8.077 7.411 1.00 0.00 C ATOM 441 O GLU A 32 -59.946 8.633 6.640 1.00 0.00 O ATOM 442 CB GLU A 32 -58.148 9.786 8.961 1.00 0.00 C ATOM 443 CG GLU A 32 -59.267 10.751 8.563 1.00 0.00 C ATOM 444 CD GLU A 32 -59.799 11.507 9.783 1.00 0.00 C ATOM 445 OE1 GLU A 32 -60.211 10.818 10.741 1.00 0.00 O ATOM 446 OE2 GLU A 32 -59.783 12.755 9.728 1.00 0.00 O ATOM 0 H GLU A 32 -57.294 10.430 6.703 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.194 8.021 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.424 9.260 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.239 10.347 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.894 11.461 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.079 10.197 8.091 1.00 0.00 H new ATOM 453 N VAL A 33 -59.350 6.869 7.924 1.00 0.00 N ATOM 454 CA VAL A 33 -60.533 6.090 7.598 1.00 0.00 C ATOM 455 C VAL A 33 -61.691 6.527 8.497 1.00 0.00 C ATOM 456 O VAL A 33 -61.677 6.272 9.700 1.00 0.00 O ATOM 457 CB VAL A 33 -60.222 4.596 7.707 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.424 3.753 7.278 1.00 0.00 C ATOM 459 CG2 VAL A 33 -58.979 4.233 6.892 1.00 0.00 C ATOM 0 H VAL A 33 -58.700 6.411 8.563 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.837 6.271 6.567 1.00 0.00 H new ATOM 0 HB VAL A 33 -60.013 4.373 8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.176 2.695 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.275 3.980 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.678 3.982 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.781 3.165 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.147 4.479 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.123 4.796 7.264 1.00 0.00 H new ATOM 469 N ILE A 34 -62.665 7.178 7.879 1.00 0.00 N ATOM 470 CA ILE A 34 -63.828 7.653 8.608 1.00 0.00 C ATOM 471 C ILE A 34 -64.718 6.462 8.972 1.00 0.00 C ATOM 472 O ILE A 34 -65.012 6.239 10.145 1.00 0.00 O ATOM 473 CB ILE A 34 -64.552 8.741 7.813 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.577 9.828 7.357 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.722 9.318 8.612 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.548 10.990 8.352 1.00 0.00 C ATOM 0 H ILE A 34 -62.673 7.388 6.881 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.525 8.123 9.544 1.00 0.00 H new ATOM 0 HB ILE A 34 -64.970 8.286 6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.577 9.406 7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.869 10.194 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.219 10.089 8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.432 8.524 8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.350 9.753 9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.847 11.749 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.544 11.425 8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.232 10.625 9.329 1.00 0.00 H new ATOM 488 N GLN A 35 -65.121 5.730 7.944 1.00 0.00 N ATOM 489 CA GLN A 35 -65.971 4.568 8.141 1.00 0.00 C ATOM 490 C GLN A 35 -65.835 3.604 6.961 1.00 0.00 C ATOM 491 O GLN A 35 -64.955 3.771 6.118 1.00 0.00 O ATOM 492 CB GLN A 35 -67.429 4.984 8.344 1.00 0.00 C ATOM 493 CG GLN A 35 -67.813 4.933 9.824 1.00 0.00 C ATOM 494 CD GLN A 35 -68.237 3.520 10.233 1.00 0.00 C ATOM 495 OE1 GLN A 35 -67.433 2.609 10.338 1.00 0.00 O ATOM 496 NE2 GLN A 35 -69.542 3.390 10.456 1.00 0.00 N ATOM 0 H GLN A 35 -64.875 5.919 6.972 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.645 4.053 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.580 5.993 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -68.082 4.325 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.968 5.254 10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.628 5.631 10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -70.160 4.194 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.924 2.486 10.733 1.00 0.00 H new ATOM 505 N SER A 36 -66.718 2.618 6.938 1.00 0.00 N ATOM 506 CA SER A 36 -66.708 1.627 5.875 1.00 0.00 C ATOM 507 C SER A 36 -68.129 1.401 5.357 1.00 0.00 C ATOM 508 O SER A 36 -69.101 1.668 6.062 1.00 0.00 O ATOM 509 CB SER A 36 -66.102 0.308 6.358 1.00 0.00 C ATOM 510 OG SER A 36 -66.858 -0.270 7.419 1.00 0.00 O ATOM 0 H SER A 36 -67.446 2.483 7.639 1.00 0.00 H new ATOM 0 HA SER A 36 -66.088 2.004 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 36 -66.050 -0.394 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 36 -65.079 0.480 6.693 1.00 0.00 H new ATOM 0 HG SER A 36 -66.440 -1.111 7.698 1.00 0.00 H new ATOM 516 N ARG A 37 -68.205 0.910 4.129 1.00 0.00 N ATOM 517 CA ARG A 37 -69.492 0.644 3.507 1.00 0.00 C ATOM 518 C ARG A 37 -69.330 -0.351 2.357 1.00 0.00 C ATOM 519 O ARG A 37 -68.212 -0.651 1.943 1.00 0.00 O ATOM 520 CB ARG A 37 -70.122 1.932 2.974 1.00 0.00 C ATOM 521 CG ARG A 37 -69.308 2.499 1.809 1.00 0.00 C ATOM 522 CD ARG A 37 -70.038 3.670 1.149 1.00 0.00 C ATOM 523 NE ARG A 37 -71.094 3.164 0.243 1.00 0.00 N ATOM 524 CZ ARG A 37 -71.944 3.949 -0.432 1.00 0.00 C ATOM 525 NH1 ARG A 37 -71.869 5.281 -0.308 1.00 0.00 N ATOM 526 NH2 ARG A 37 -72.870 3.402 -1.231 1.00 0.00 N ATOM 0 H ARG A 37 -67.397 0.689 3.548 1.00 0.00 H new ATOM 0 HA ARG A 37 -70.147 0.220 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.143 1.734 2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.182 2.670 3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.333 2.829 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.127 1.716 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -70.479 4.311 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.330 4.282 0.590 1.00 0.00 H new ATOM 0 HE ARG A 37 -71.180 2.154 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -71.164 5.698 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -72.516 5.878 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -72.928 2.388 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -73.517 4.000 -1.745 1.00 0.00 H new ATOM 540 N VAL A 38 -70.464 -0.837 1.873 1.00 0.00 N ATOM 541 CA VAL A 38 -70.463 -1.793 0.779 1.00 0.00 C ATOM 542 C VAL A 38 -71.466 -1.344 -0.286 1.00 0.00 C ATOM 543 O VAL A 38 -72.502 -0.765 0.037 1.00 0.00 O ATOM 544 CB VAL A 38 -70.745 -3.199 1.311 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.312 -4.098 0.211 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.488 -3.814 1.929 1.00 0.00 C ATOM 0 H VAL A 38 -71.390 -0.586 2.219 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.482 -1.831 0.306 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.497 -3.116 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.504 -5.092 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.243 -3.673 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.594 -4.171 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.716 -4.813 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.705 -3.877 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -69.146 -3.190 2.755 1.00 0.00 H new ATOM 556 N ASN A 39 -71.123 -1.629 -1.534 1.00 0.00 N ATOM 557 CA ASN A 39 -71.981 -1.262 -2.648 1.00 0.00 C ATOM 558 C ASN A 39 -72.667 -2.516 -3.193 1.00 0.00 C ATOM 559 O ASN A 39 -71.999 -3.466 -3.598 1.00 0.00 O ATOM 560 CB ASN A 39 -71.170 -0.635 -3.784 1.00 0.00 C ATOM 561 CG ASN A 39 -71.305 0.889 -3.778 1.00 0.00 C ATOM 562 OD1 ASN A 39 -71.429 1.523 -2.743 1.00 0.00 O ATOM 563 ND2 ASN A 39 -71.275 1.439 -4.988 1.00 0.00 N ATOM 0 H ASN A 39 -70.263 -2.110 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.713 -0.540 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.121 -0.911 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.512 -1.030 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -71.358 2.450 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -71.169 0.850 -5.814 1.00 0.00 H new ATOM 570 N ASP A 40 -73.991 -2.478 -3.184 1.00 0.00 N ATOM 571 CA ASP A 40 -74.774 -3.600 -3.673 1.00 0.00 C ATOM 572 C ASP A 40 -74.831 -3.551 -5.201 1.00 0.00 C ATOM 573 O ASP A 40 -74.624 -4.564 -5.867 1.00 0.00 O ATOM 574 CB ASP A 40 -76.209 -3.542 -3.145 1.00 0.00 C ATOM 575 CG ASP A 40 -76.527 -4.534 -2.024 1.00 0.00 C ATOM 576 OD1 ASP A 40 -76.321 -4.150 -0.852 1.00 0.00 O ATOM 577 OD2 ASP A 40 -76.967 -5.652 -2.364 1.00 0.00 O ATOM 0 H ASP A 40 -74.541 -1.688 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.299 -4.518 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.406 -2.533 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.893 -3.723 -3.974 1.00 0.00 H new ATOM 582 N GLN A 41 -75.113 -2.361 -5.712 1.00 0.00 N ATOM 583 CA GLN A 41 -75.199 -2.166 -7.150 1.00 0.00 C ATOM 584 C GLN A 41 -73.938 -2.697 -7.834 1.00 0.00 C ATOM 585 O GLN A 41 -74.019 -3.545 -8.722 1.00 0.00 O ATOM 586 CB GLN A 41 -75.429 -0.692 -7.490 1.00 0.00 C ATOM 587 CG GLN A 41 -76.518 -0.538 -8.554 1.00 0.00 C ATOM 588 CD GLN A 41 -76.830 0.938 -8.810 1.00 0.00 C ATOM 589 OE1 GLN A 41 -76.126 1.833 -8.370 1.00 0.00 O ATOM 590 NE2 GLN A 41 -77.920 1.141 -9.543 1.00 0.00 N ATOM 0 H GLN A 41 -75.285 -1.523 -5.157 1.00 0.00 H new ATOM 0 HA GLN A 41 -76.055 -2.729 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -75.715 -0.148 -6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -74.500 -0.249 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -76.195 -1.011 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -77.422 -1.054 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -78.464 0.346 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -78.213 2.092 -9.769 1.00 0.00 H new ATOM 599 N GLU A 42 -72.801 -2.176 -7.396 1.00 0.00 N ATOM 600 CA GLU A 42 -71.525 -2.587 -7.955 1.00 0.00 C ATOM 601 C GLU A 42 -71.105 -3.942 -7.381 1.00 0.00 C ATOM 602 O GLU A 42 -70.614 -4.803 -8.109 1.00 0.00 O ATOM 603 CB GLU A 42 -70.450 -1.528 -7.704 1.00 0.00 C ATOM 604 CG GLU A 42 -70.234 -0.660 -8.945 1.00 0.00 C ATOM 605 CD GLU A 42 -69.212 -1.297 -9.889 1.00 0.00 C ATOM 606 OE1 GLU A 42 -69.168 -2.545 -9.918 1.00 0.00 O ATOM 607 OE2 GLU A 42 -68.498 -0.520 -10.559 1.00 0.00 O ATOM 0 H GLU A 42 -72.737 -1.473 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 42 -71.640 -2.692 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -70.743 -0.900 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.514 -2.013 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.181 -0.524 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -69.890 0.330 -8.645 1.00 0.00 H new ATOM 614 N GLY A 43 -71.314 -4.087 -6.081 1.00 0.00 N ATOM 615 CA GLY A 43 -70.963 -5.323 -5.400 1.00 0.00 C ATOM 616 C GLY A 43 -69.493 -5.317 -4.978 1.00 0.00 C ATOM 617 O GLY A 43 -68.786 -6.307 -5.165 1.00 0.00 O ATOM 0 H GLY A 43 -71.722 -3.370 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.597 -5.452 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -71.153 -6.171 -6.057 1.00 0.00 H new ATOM 621 N ARG A 44 -69.075 -4.192 -4.416 1.00 0.00 N ATOM 622 CA ARG A 44 -67.702 -4.045 -3.966 1.00 0.00 C ATOM 623 C ARG A 44 -67.661 -3.342 -2.608 1.00 0.00 C ATOM 624 O ARG A 44 -68.695 -2.920 -2.092 1.00 0.00 O ATOM 625 CB ARG A 44 -66.875 -3.244 -4.973 1.00 0.00 C ATOM 626 CG ARG A 44 -66.597 -4.067 -6.232 1.00 0.00 C ATOM 627 CD ARG A 44 -65.140 -4.535 -6.271 1.00 0.00 C ATOM 628 NE ARG A 44 -64.947 -5.498 -7.378 1.00 0.00 N ATOM 629 CZ ARG A 44 -64.967 -5.165 -8.676 1.00 0.00 C ATOM 630 NH1 ARG A 44 -65.171 -3.891 -9.038 1.00 0.00 N ATOM 631 NH2 ARG A 44 -64.783 -6.106 -9.612 1.00 0.00 N ATOM 0 H ARG A 44 -69.664 -3.374 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.274 -5.043 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -67.407 -2.331 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -65.933 -2.942 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -67.261 -4.931 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -66.814 -3.469 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -64.478 -3.679 -6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -64.874 -5.001 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 44 -64.789 -6.477 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -65.311 -3.175 -8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -65.186 -3.638 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -64.628 -7.076 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -64.798 -5.853 -10.600 1.00 0.00 H new ATOM 645 N GLU A 45 -66.456 -3.237 -2.067 1.00 0.00 N ATOM 646 CA GLU A 45 -66.267 -2.592 -0.779 1.00 0.00 C ATOM 647 C GLU A 45 -65.585 -1.235 -0.960 1.00 0.00 C ATOM 648 O GLU A 45 -64.958 -0.983 -1.989 1.00 0.00 O ATOM 649 CB GLU A 45 -65.466 -3.486 0.170 1.00 0.00 C ATOM 650 CG GLU A 45 -66.209 -4.794 0.449 1.00 0.00 C ATOM 651 CD GLU A 45 -65.227 -5.945 0.676 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.873 -6.596 -0.330 1.00 0.00 O ATOM 653 OE2 GLU A 45 -64.853 -6.148 1.852 1.00 0.00 O ATOM 0 H GLU A 45 -65.601 -3.588 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.247 -2.427 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.491 -3.703 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.286 -2.959 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.845 -4.675 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.864 -5.030 -0.390 1.00 0.00 H new ATOM 660 N GLU A 46 -65.729 -0.395 0.055 1.00 0.00 N ATOM 661 CA GLU A 46 -65.134 0.930 0.020 1.00 0.00 C ATOM 662 C GLU A 46 -64.897 1.443 1.442 1.00 0.00 C ATOM 663 O GLU A 46 -65.351 0.833 2.409 1.00 0.00 O ATOM 664 CB GLU A 46 -66.007 1.902 -0.775 1.00 0.00 C ATOM 665 CG GLU A 46 -65.387 2.205 -2.141 1.00 0.00 C ATOM 666 CD GLU A 46 -66.445 2.715 -3.122 1.00 0.00 C ATOM 667 OE1 GLU A 46 -66.984 3.810 -2.856 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.689 1.997 -4.116 1.00 0.00 O ATOM 0 H GLU A 46 -66.249 -0.607 0.907 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.171 0.861 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.001 1.477 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.130 2.828 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -64.600 2.950 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -64.920 1.305 -2.540 1.00 0.00 H new ATOM 675 N PHE A 47 -64.187 2.558 1.524 1.00 0.00 N ATOM 676 CA PHE A 47 -63.885 3.160 2.812 1.00 0.00 C ATOM 677 C PHE A 47 -63.715 4.675 2.682 1.00 0.00 C ATOM 678 O PHE A 47 -62.884 5.147 1.909 1.00 0.00 O ATOM 679 CB PHE A 47 -62.566 2.551 3.292 1.00 0.00 C ATOM 680 CG PHE A 47 -62.647 1.053 3.597 1.00 0.00 C ATOM 681 CD1 PHE A 47 -63.090 0.630 4.812 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.278 0.146 2.654 1.00 0.00 C ATOM 683 CE1 PHE A 47 -63.165 -0.759 5.095 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.353 -1.243 2.937 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.795 -1.667 4.152 1.00 0.00 C ATOM 0 H PHE A 47 -63.812 3.061 0.720 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.699 2.971 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.803 2.716 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.240 3.077 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -63.384 1.351 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -61.928 0.482 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -63.516 -1.095 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -62.059 -1.963 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.852 -2.724 4.368 1.00 0.00 H new ATOM 695 N TYR A 48 -64.517 5.396 3.453 1.00 0.00 N ATOM 696 CA TYR A 48 -64.467 6.848 3.434 1.00 0.00 C ATOM 697 C TYR A 48 -63.194 7.361 4.112 1.00 0.00 C ATOM 698 O TYR A 48 -63.157 7.519 5.331 1.00 0.00 O ATOM 699 CB TYR A 48 -65.682 7.323 4.233 1.00 0.00 C ATOM 700 CG TYR A 48 -66.111 8.758 3.920 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.149 9.197 2.612 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.459 9.613 4.945 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.552 10.547 2.317 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.862 10.964 4.651 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.889 11.364 3.351 1.00 0.00 C ATOM 706 OH TYR A 48 -67.270 12.640 3.073 1.00 0.00 O ATOM 0 H TYR A 48 -65.205 5.001 4.095 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.470 7.219 2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.519 6.653 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.457 7.246 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -65.876 8.527 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.429 9.269 5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.586 10.903 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.136 11.644 5.444 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.483 13.107 3.908 1.00 0.00 H new ATOM 716 N VAL A 49 -62.183 7.606 3.291 1.00 0.00 N ATOM 717 CA VAL A 49 -60.912 8.098 3.796 1.00 0.00 C ATOM 718 C VAL A 49 -60.873 9.622 3.668 1.00 0.00 C ATOM 719 O VAL A 49 -61.332 10.177 2.671 1.00 0.00 O ATOM 720 CB VAL A 49 -59.757 7.407 3.068 1.00 0.00 C ATOM 721 CG1 VAL A 49 -59.881 5.885 3.166 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.681 7.859 1.609 1.00 0.00 C ATOM 0 H VAL A 49 -62.218 7.473 2.280 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.802 7.858 4.853 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.828 7.699 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.048 5.418 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -59.863 5.585 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.820 5.567 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.852 7.353 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.613 7.610 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.524 8.937 1.570 1.00 0.00 H new ATOM 732 N HIS A 50 -60.320 10.256 4.692 1.00 0.00 N ATOM 733 CA HIS A 50 -60.215 11.705 4.706 1.00 0.00 C ATOM 734 C HIS A 50 -58.748 12.115 4.554 1.00 0.00 C ATOM 735 O HIS A 50 -57.904 11.723 5.358 1.00 0.00 O ATOM 736 CB HIS A 50 -60.864 12.284 5.964 1.00 0.00 C ATOM 737 CG HIS A 50 -60.577 13.751 6.184 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.395 14.428 6.247 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.576 14.690 6.371 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.657 15.712 6.458 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -61.009 15.876 6.536 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.940 9.793 5.517 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.762 12.121 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.943 12.141 5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.517 11.722 6.831 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.637 14.490 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -58.921 16.497 6.552 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.498 16.757 6.694 1.00 0.00 H new ATOM 749 N TYR A 51 -58.491 12.897 3.516 1.00 0.00 N ATOM 750 CA TYR A 51 -57.141 13.364 3.248 1.00 0.00 C ATOM 751 C TYR A 51 -56.716 14.425 4.265 1.00 0.00 C ATOM 752 O TYR A 51 -56.901 15.620 4.035 1.00 0.00 O ATOM 753 CB TYR A 51 -57.183 13.997 1.855 1.00 0.00 C ATOM 754 CG TYR A 51 -57.259 12.982 0.713 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.187 12.151 0.456 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.398 12.897 -0.061 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.258 11.196 -0.619 1.00 0.00 C ATOM 758 CE2 TYR A 51 -58.470 11.942 -1.136 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.396 11.139 -1.362 1.00 0.00 C ATOM 760 OH TYR A 51 -57.463 10.236 -2.378 1.00 0.00 O ATOM 0 H TYR A 51 -59.194 13.219 2.851 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.430 12.540 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -58.045 14.662 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.295 14.614 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.295 12.217 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.236 13.548 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.427 10.540 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -59.356 11.865 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 51 -58.334 10.307 -2.821 1.00 0.00 H new ATOM 770 N VAL A 52 -56.154 13.951 5.367 1.00 0.00 N ATOM 771 CA VAL A 52 -55.701 14.845 6.420 1.00 0.00 C ATOM 772 C VAL A 52 -54.512 15.663 5.912 1.00 0.00 C ATOM 773 O VAL A 52 -53.360 15.277 6.106 1.00 0.00 O ATOM 774 CB VAL A 52 -55.380 14.044 7.683 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.575 13.190 8.110 1.00 0.00 C ATOM 776 CG2 VAL A 52 -54.133 13.180 7.483 1.00 0.00 C ATOM 0 H VAL A 52 -56.002 12.960 5.554 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.488 15.549 6.689 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.172 14.753 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -56.320 12.631 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.429 13.836 8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.829 12.494 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.927 12.621 8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.301 12.484 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.281 13.819 7.249 1.00 0.00 H new ATOM 906 N GLU A 60 -63.974 11.328 0.101 1.00 0.00 N ATOM 907 CA GLU A 60 -64.714 10.395 -0.732 1.00 0.00 C ATOM 908 C GLU A 60 -64.417 8.955 -0.308 1.00 0.00 C ATOM 909 O GLU A 60 -63.498 8.711 0.473 1.00 0.00 O ATOM 910 CB GLU A 60 -64.393 10.608 -2.213 1.00 0.00 C ATOM 911 CG GLU A 60 -62.916 10.332 -2.499 1.00 0.00 C ATOM 912 CD GLU A 60 -62.343 11.366 -3.470 1.00 0.00 C ATOM 913 OE1 GLU A 60 -61.889 12.420 -2.973 1.00 0.00 O ATOM 914 OE2 GLU A 60 -62.372 11.080 -4.686 1.00 0.00 O ATOM 0 HA GLU A 60 -65.779 10.581 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -65.014 9.951 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.637 11.631 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.352 10.351 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.804 9.332 -2.919 1.00 0.00 H new ATOM 921 N TRP A 61 -65.212 8.039 -0.841 1.00 0.00 N ATOM 922 CA TRP A 61 -65.045 6.630 -0.528 1.00 0.00 C ATOM 923 C TRP A 61 -63.960 6.066 -1.447 1.00 0.00 C ATOM 924 O TRP A 61 -63.926 6.377 -2.637 1.00 0.00 O ATOM 925 CB TRP A 61 -66.375 5.882 -0.643 1.00 0.00 C ATOM 926 CG TRP A 61 -67.519 6.520 0.147 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.280 7.566 -0.202 1.00 0.00 C ATOM 928 CD2 TRP A 61 -68.003 6.107 1.443 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.216 7.857 0.770 1.00 0.00 N ATOM 930 CE2 TRP A 61 -69.042 6.942 1.802 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.577 5.064 2.284 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.742 6.819 3.008 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.287 4.955 3.486 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.335 5.787 3.862 1.00 0.00 C ATOM 0 H TRP A 61 -65.974 8.245 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.726 6.500 0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.659 5.827 -1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -66.235 4.858 -0.297 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -68.174 8.113 -1.127 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.908 8.606 0.737 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.766 4.400 2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.553 7.485 3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -68.000 4.169 4.169 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.833 5.638 4.809 1.00 0.00 H new ATOM 945 N VAL A 62 -63.100 5.246 -0.861 1.00 0.00 N ATOM 946 CA VAL A 62 -62.016 4.636 -1.613 1.00 0.00 C ATOM 947 C VAL A 62 -62.117 3.114 -1.499 1.00 0.00 C ATOM 948 O VAL A 62 -62.868 2.598 -0.674 1.00 0.00 O ATOM 949 CB VAL A 62 -60.672 5.184 -1.131 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.631 6.710 -1.240 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.374 4.729 0.299 1.00 0.00 C ATOM 0 H VAL A 62 -63.132 4.990 0.126 1.00 0.00 H new ATOM 0 HA VAL A 62 -62.094 4.889 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.895 4.780 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.665 7.074 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.776 7.005 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.423 7.140 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.413 5.133 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -61.157 5.089 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.340 3.640 0.335 1.00 0.00 H new ATOM 961 N ASP A 63 -61.348 2.438 -2.340 1.00 0.00 N ATOM 962 CA ASP A 63 -61.341 0.985 -2.344 1.00 0.00 C ATOM 963 C ASP A 63 -60.048 0.483 -1.699 1.00 0.00 C ATOM 964 O ASP A 63 -59.083 1.236 -1.566 1.00 0.00 O ATOM 965 CB ASP A 63 -61.399 0.438 -3.772 1.00 0.00 C ATOM 966 CG ASP A 63 -62.745 0.615 -4.478 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.105 1.785 -4.728 1.00 0.00 O ATOM 968 OD2 ASP A 63 -63.383 -0.425 -4.751 1.00 0.00 O ATOM 0 H ASP A 63 -60.726 2.870 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.215 0.643 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.627 0.929 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -61.155 -0.624 -3.748 1.00 0.00 H new ATOM 973 N LYS A 64 -60.069 -0.784 -1.314 1.00 0.00 N ATOM 974 CA LYS A 64 -58.910 -1.395 -0.685 1.00 0.00 C ATOM 975 C LYS A 64 -57.685 -1.197 -1.581 1.00 0.00 C ATOM 976 O LYS A 64 -56.572 -1.021 -1.088 1.00 0.00 O ATOM 977 CB LYS A 64 -59.194 -2.860 -0.346 1.00 0.00 C ATOM 978 CG LYS A 64 -60.300 -2.975 0.705 1.00 0.00 C ATOM 979 CD LYS A 64 -60.197 -4.297 1.467 1.00 0.00 C ATOM 980 CE LYS A 64 -59.912 -4.055 2.950 1.00 0.00 C ATOM 981 NZ LYS A 64 -60.355 -5.212 3.759 1.00 0.00 N ATOM 0 H LYS A 64 -60.871 -1.405 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.692 -0.909 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.488 -3.395 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.285 -3.334 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.230 -2.142 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.274 -2.905 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.126 -4.857 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -59.404 -4.908 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -58.845 -3.887 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.426 -3.153 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -60.108 -5.053 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -61.385 -5.323 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -59.883 -6.074 3.419 1.00 0.00 H new ATOM 995 N ASN A 65 -57.932 -1.233 -2.882 1.00 0.00 N ATOM 996 CA ASN A 65 -56.864 -1.060 -3.852 1.00 0.00 C ATOM 997 C ASN A 65 -56.340 0.376 -3.776 1.00 0.00 C ATOM 998 O ASN A 65 -55.131 0.601 -3.797 1.00 0.00 O ATOM 999 CB ASN A 65 -57.367 -1.305 -5.276 1.00 0.00 C ATOM 1000 CG ASN A 65 -56.492 -2.331 -5.997 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -55.898 -3.211 -5.396 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -56.446 -2.170 -7.317 1.00 0.00 N ATOM 0 H ASN A 65 -58.856 -1.379 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.078 -1.778 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.398 -1.658 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -57.367 -0.367 -5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -55.889 -2.805 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -56.968 -1.412 -7.757 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.275 1.310 -3.689 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.923 2.717 -3.610 1.00 0.00 C ATOM 1011 C ARG A 66 -55.989 2.965 -2.424 1.00 0.00 C ATOM 1012 O ARG A 66 -55.153 3.866 -2.465 1.00 0.00 O ATOM 1013 CB ARG A 66 -58.171 3.590 -3.459 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.904 3.734 -4.794 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.768 4.996 -4.811 1.00 0.00 C ATOM 1016 NE ARG A 66 -60.553 5.056 -6.065 1.00 0.00 N ATOM 1017 CZ ARG A 66 -61.296 6.107 -6.437 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -61.360 7.192 -5.654 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -61.974 6.072 -7.592 1.00 0.00 N ATOM 0 H ARG A 66 -58.277 1.120 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 66 -56.417 2.984 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.839 3.150 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.888 4.575 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -58.180 3.773 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -59.530 2.858 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -60.439 4.999 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -59.136 5.880 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 66 -60.526 4.246 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -60.843 7.218 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -61.926 7.992 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -61.924 5.245 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -62.540 6.872 -7.876 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.162 2.148 -1.395 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.345 2.267 -0.200 1.00 0.00 C ATOM 1035 C LEU A 67 -54.134 1.340 -0.321 1.00 0.00 C ATOM 1036 O LEU A 67 -54.012 0.596 -1.292 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.188 2.016 1.053 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.467 2.847 1.177 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.612 2.009 1.749 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.219 4.115 1.998 1.00 0.00 C ATOM 0 H LEU A 67 -56.856 1.401 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -54.962 3.283 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.460 0.961 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.568 2.207 1.929 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.767 3.163 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.509 2.623 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -58.808 1.163 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.336 1.643 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.144 4.688 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.882 3.841 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.455 4.720 1.511 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.269 1.416 0.680 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.071 0.593 0.698 1.00 0.00 C ATOM 1054 C ALA A 68 -52.167 -0.415 1.845 1.00 0.00 C ATOM 1055 O ALA A 68 -52.012 -0.051 3.010 1.00 0.00 O ATOM 1056 CB ALA A 68 -50.837 1.490 0.811 1.00 0.00 C ATOM 0 H ALA A 68 -53.374 2.035 1.484 1.00 0.00 H new ATOM 0 HA ALA A 68 -51.979 0.028 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -49.939 0.873 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -50.800 2.167 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -50.892 2.071 1.732 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.422 -1.661 1.476 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.540 -2.724 2.460 1.00 0.00 C ATOM 1064 C LEU A 69 -51.377 -3.703 2.289 1.00 0.00 C ATOM 1065 O LEU A 69 -51.408 -4.563 1.411 1.00 0.00 O ATOM 1066 CB LEU A 69 -53.917 -3.384 2.372 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.098 -2.444 2.123 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.070 -3.041 1.104 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.795 -2.080 3.435 1.00 0.00 C ATOM 0 H LEU A 69 -52.550 -1.959 0.509 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.470 -2.319 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -53.893 -4.124 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.099 -3.925 3.301 1.00 0.00 H new ATOM 0 HG LEU A 69 -54.713 -1.518 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -56.900 -2.352 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -55.551 -3.207 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.453 -3.990 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.631 -1.411 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.165 -2.986 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.087 -1.583 4.098 1.00 0.00 H new ATOM 1464 N ARG A 94 -40.429 22.001 34.834 1.00 0.00 N ATOM 1465 CA ARG A 94 -40.790 22.880 35.933 1.00 0.00 C ATOM 1466 C ARG A 94 -40.512 22.196 37.273 1.00 0.00 C ATOM 1467 O ARG A 94 -40.303 20.985 37.324 1.00 0.00 O ATOM 1468 CB ARG A 94 -42.267 23.271 35.864 1.00 0.00 C ATOM 1469 CG ARG A 94 -43.166 22.036 35.959 1.00 0.00 C ATOM 1470 CD ARG A 94 -44.627 22.399 35.685 1.00 0.00 C ATOM 1471 NE ARG A 94 -45.286 22.827 36.939 1.00 0.00 N ATOM 1472 CZ ARG A 94 -46.573 23.191 37.025 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -47.346 23.182 35.931 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -47.086 23.565 38.205 1.00 0.00 N ATOM 0 HA ARG A 94 -40.184 23.782 35.849 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -42.503 23.960 36.675 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -42.464 23.798 34.930 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -42.834 21.284 35.243 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -43.078 21.593 36.951 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -44.679 23.198 34.946 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -45.151 21.541 35.264 1.00 0.00 H new ATOM 0 HE ARG A 94 -44.726 22.846 37.791 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -46.955 22.898 35.033 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -48.325 23.459 35.996 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -46.497 23.573 39.038 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -48.065 23.842 38.270 1.00 0.00 H new ATOM 1488 N LYS A 95 -40.519 23.002 38.325 1.00 0.00 N ATOM 1489 CA LYS A 95 -40.270 22.489 39.662 1.00 0.00 C ATOM 1490 C LYS A 95 -40.546 23.592 40.685 1.00 0.00 C ATOM 1491 O LYS A 95 -39.865 24.617 40.698 1.00 0.00 O ATOM 1492 CB LYS A 95 -38.862 21.900 39.756 1.00 0.00 C ATOM 1493 CG LYS A 95 -37.804 22.949 39.407 1.00 0.00 C ATOM 1494 CD LYS A 95 -36.895 23.231 40.606 1.00 0.00 C ATOM 1495 CE LYS A 95 -35.432 23.333 40.172 1.00 0.00 C ATOM 1496 NZ LYS A 95 -34.911 22.003 39.786 1.00 0.00 N ATOM 0 H LYS A 95 -40.693 24.006 38.279 1.00 0.00 H new ATOM 0 HA LYS A 95 -40.949 21.667 39.888 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -38.688 21.524 40.764 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -38.774 21.050 39.079 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -37.205 22.601 38.566 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -38.291 23.871 39.091 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -37.201 24.159 41.088 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -37.004 22.437 41.345 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -35.343 24.022 39.332 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -34.833 23.742 40.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -33.871 22.018 39.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -35.260 21.286 40.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -35.235 21.768 38.826 1.00 0.00 H new ATOM 1510 N ILE A 96 -41.545 23.345 41.520 1.00 0.00 N ATOM 1511 CA ILE A 96 -41.918 24.305 42.545 1.00 0.00 C ATOM 1512 C ILE A 96 -40.743 24.504 43.504 1.00 0.00 C ATOM 1513 O ILE A 96 -39.759 23.767 43.447 1.00 0.00 O ATOM 1514 CB ILE A 96 -43.211 23.871 43.239 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -43.765 24.995 44.117 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -43.003 22.577 44.027 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -45.246 24.768 44.429 1.00 0.00 C ATOM 0 H ILE A 96 -42.107 22.494 41.508 1.00 0.00 H new ATOM 0 HA ILE A 96 -42.132 25.276 42.098 1.00 0.00 H new ATOM 0 HB ILE A 96 -43.957 23.663 42.472 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -43.198 25.048 45.046 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -43.639 25.952 43.611 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -43.937 22.291 44.510 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -42.688 21.784 43.348 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -42.235 22.732 44.785 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -45.615 25.581 45.054 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -45.814 24.739 43.499 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -45.366 23.822 44.956 1.00 0.00 H new ATOM 1529 N THR A 97 -40.883 25.503 44.362 1.00 0.00 N ATOM 1530 CA THR A 97 -39.845 25.808 45.332 1.00 0.00 C ATOM 1531 C THR A 97 -40.466 26.300 46.641 1.00 0.00 C ATOM 1532 O THR A 97 -41.622 26.720 46.665 1.00 0.00 O ATOM 1533 CB THR A 97 -38.887 26.818 44.697 1.00 0.00 C ATOM 1534 OG1 THR A 97 -37.831 26.938 45.646 1.00 0.00 O ATOM 1535 CG2 THR A 97 -39.484 28.225 44.623 1.00 0.00 C ATOM 0 H THR A 97 -41.700 26.112 44.406 1.00 0.00 H new ATOM 0 HA THR A 97 -39.275 24.917 45.594 1.00 0.00 H new ATOM 0 HB THR A 97 -38.620 26.484 43.694 1.00 0.00 H new ATOM 0 HG1 THR A 97 -37.163 27.573 45.314 1.00 0.00 H new ATOM 0 HG21 THR A 97 -38.764 28.902 44.164 1.00 0.00 H new ATOM 0 HG22 THR A 97 -40.394 28.203 44.023 1.00 0.00 H new ATOM 0 HG23 THR A 97 -39.720 28.573 45.628 1.00 0.00 H new ATOM 1543 N ARG A 98 -39.671 26.231 47.699 1.00 0.00 N ATOM 1544 CA ARG A 98 -40.128 26.663 49.008 1.00 0.00 C ATOM 1545 C ARG A 98 -38.953 26.730 49.986 1.00 0.00 C ATOM 1546 O ARG A 98 -37.854 26.276 49.672 1.00 0.00 O ATOM 1547 CB ARG A 98 -41.191 25.712 49.563 1.00 0.00 C ATOM 1548 CG ARG A 98 -42.518 26.441 49.782 1.00 0.00 C ATOM 1549 CD ARG A 98 -43.418 25.664 50.745 1.00 0.00 C ATOM 1550 NE ARG A 98 -44.676 25.282 50.066 1.00 0.00 N ATOM 1551 CZ ARG A 98 -45.708 24.685 50.677 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -45.639 24.400 51.984 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -46.810 24.375 49.981 1.00 0.00 N ATOM 0 H ARG A 98 -38.713 25.882 47.676 1.00 0.00 H new ATOM 0 HA ARG A 98 -40.567 27.654 48.894 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -41.338 24.882 48.872 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -40.846 25.286 50.505 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -42.328 27.438 50.180 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -43.028 26.571 48.827 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -42.901 24.772 51.099 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -43.639 26.274 51.621 1.00 0.00 H new ATOM 0 HE ARG A 98 -44.763 25.486 49.070 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -44.801 24.638 52.514 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -46.425 23.945 52.449 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -46.863 24.594 48.986 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -47.596 23.920 50.446 1.00 0.00 H new ATOM 1567 N ASN A 99 -39.225 27.299 51.151 1.00 0.00 N ATOM 1568 CA ASN A 99 -38.204 27.431 52.176 1.00 0.00 C ATOM 1569 C ASN A 99 -38.844 27.955 53.463 1.00 0.00 C ATOM 1570 O ASN A 99 -39.995 28.389 53.456 1.00 0.00 O ATOM 1571 CB ASN A 99 -37.119 28.422 51.749 1.00 0.00 C ATOM 1572 CG ASN A 99 -37.724 29.791 51.427 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -38.533 29.944 50.526 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -37.287 30.773 52.210 1.00 0.00 N ATOM 0 H ASN A 99 -40.138 27.674 51.408 1.00 0.00 H new ATOM 0 HA ASN A 99 -37.755 26.450 52.332 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -36.381 28.524 52.545 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -36.594 28.038 50.875 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -37.630 31.724 52.075 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -36.609 30.575 52.946 1.00 0.00 H new ATOM 1581 N GLN A 100 -38.070 27.898 54.537 1.00 0.00 N ATOM 1582 CA GLN A 100 -38.547 28.361 55.828 1.00 0.00 C ATOM 1583 C GLN A 100 -37.367 28.763 56.717 1.00 0.00 C ATOM 1584 O GLN A 100 -36.211 28.568 56.345 1.00 0.00 O ATOM 1585 CB GLN A 100 -39.408 27.296 56.509 1.00 0.00 C ATOM 1586 CG GLN A 100 -40.592 27.933 57.240 1.00 0.00 C ATOM 1587 CD GLN A 100 -40.866 27.220 58.566 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -39.984 26.653 59.189 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -42.135 27.280 58.959 1.00 0.00 N ATOM 0 H GLN A 100 -37.116 27.538 54.539 1.00 0.00 H new ATOM 0 HA GLN A 100 -39.173 29.239 55.668 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -39.774 26.588 55.765 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -38.801 26.730 57.216 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -40.385 28.987 57.426 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -41.480 27.889 56.609 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -42.823 27.772 58.389 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -42.420 26.834 59.831 1.00 0.00 H new ATOM 1598 N LYS A 101 -37.701 29.315 57.874 1.00 0.00 N ATOM 1599 CA LYS A 101 -36.684 29.746 58.818 1.00 0.00 C ATOM 1600 C LYS A 101 -37.305 29.866 60.211 1.00 0.00 C ATOM 1601 O LYS A 101 -38.507 29.664 60.378 1.00 0.00 O ATOM 1602 CB LYS A 101 -36.011 31.031 58.332 1.00 0.00 C ATOM 1603 CG LYS A 101 -36.960 32.225 58.448 1.00 0.00 C ATOM 1604 CD LYS A 101 -36.184 33.524 58.673 1.00 0.00 C ATOM 1605 CE LYS A 101 -37.052 34.567 59.379 1.00 0.00 C ATOM 1606 NZ LYS A 101 -36.846 35.904 58.779 1.00 0.00 N ATOM 0 H LYS A 101 -38.661 29.474 58.179 1.00 0.00 H new ATOM 0 HA LYS A 101 -35.889 29.004 58.886 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -35.111 31.219 58.918 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -35.697 30.911 57.295 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -37.558 32.308 57.541 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -37.653 32.064 59.274 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -35.295 33.322 59.270 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -35.842 33.918 57.716 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -38.102 34.286 59.304 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -36.805 34.596 60.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -37.443 36.600 59.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -35.847 36.177 58.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -37.104 35.876 57.772 1.00 0.00 H new ATOM 1620 N ARG A 102 -36.458 30.193 61.176 1.00 0.00 N ATOM 1621 CA ARG A 102 -36.909 30.342 62.549 1.00 0.00 C ATOM 1622 C ARG A 102 -35.939 31.228 63.333 1.00 0.00 C ATOM 1623 O ARG A 102 -34.780 31.377 62.949 1.00 0.00 O ATOM 1624 CB ARG A 102 -37.023 28.983 63.242 1.00 0.00 C ATOM 1625 CG ARG A 102 -37.914 29.073 64.483 1.00 0.00 C ATOM 1626 CD ARG A 102 -37.084 28.969 65.763 1.00 0.00 C ATOM 1627 NE ARG A 102 -37.024 27.562 66.216 1.00 0.00 N ATOM 1628 CZ ARG A 102 -36.341 27.146 67.291 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -35.655 28.028 68.030 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -36.344 25.849 67.627 1.00 0.00 N ATOM 0 H ARG A 102 -35.462 30.359 61.034 1.00 0.00 H new ATOM 0 HA ARG A 102 -37.894 30.808 62.526 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -37.434 28.250 62.548 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -36.031 28.632 63.527 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -38.460 30.016 64.475 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -38.656 28.275 64.461 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -36.077 29.345 65.584 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -37.523 29.592 66.542 1.00 0.00 H new ATOM 0 HE ARG A 102 -37.535 26.864 65.676 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -35.653 29.015 67.774 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -35.135 27.712 68.849 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -36.866 25.178 67.064 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -35.824 25.533 68.445 1.00 0.00 H new ATOM 1644 N LYS A 103 -36.448 31.792 64.419 1.00 0.00 N ATOM 1645 CA LYS A 103 -35.641 32.658 65.261 1.00 0.00 C ATOM 1646 C LYS A 103 -36.073 32.492 66.719 1.00 0.00 C ATOM 1647 O LYS A 103 -37.077 31.841 67.002 1.00 0.00 O ATOM 1648 CB LYS A 103 -35.706 34.103 64.761 1.00 0.00 C ATOM 1649 CG LYS A 103 -34.302 34.671 64.542 1.00 0.00 C ATOM 1650 CD LYS A 103 -34.200 36.102 65.073 1.00 0.00 C ATOM 1651 CE LYS A 103 -32.928 36.786 64.568 1.00 0.00 C ATOM 1652 NZ LYS A 103 -33.262 38.032 63.843 1.00 0.00 N ATOM 0 H LYS A 103 -37.410 31.666 64.735 1.00 0.00 H new ATOM 0 HA LYS A 103 -34.591 32.372 65.205 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -36.268 34.144 63.828 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -36.242 34.718 65.484 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -33.568 34.040 65.044 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -34.062 34.656 63.479 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -35.073 36.673 64.759 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -34.202 36.090 66.163 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -32.272 37.012 65.408 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -32.382 36.111 63.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -32.387 38.483 63.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -33.870 37.808 63.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -33.763 38.682 64.482 1.00 0.00 H new ATOM 1666 N HIS A 104 -35.293 33.093 67.606 1.00 0.00 N ATOM 1667 CA HIS A 104 -35.582 33.020 69.028 1.00 0.00 C ATOM 1668 C HIS A 104 -34.809 34.114 69.766 1.00 0.00 C ATOM 1669 O HIS A 104 -34.060 34.872 69.152 1.00 0.00 O ATOM 1670 CB HIS A 104 -35.291 31.619 69.570 1.00 0.00 C ATOM 1671 CG HIS A 104 -36.282 31.142 70.605 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -35.920 30.835 71.905 1.00 0.00 N ATOM 1673 CD2 HIS A 104 -37.626 30.925 70.518 1.00 0.00 C ATOM 1674 CE1 HIS A 104 -37.004 30.450 72.562 1.00 0.00 C ATOM 1675 NE2 HIS A 104 -38.060 30.506 71.700 1.00 0.00 N ATOM 0 H HIS A 104 -34.461 33.633 67.367 1.00 0.00 H new ATOM 0 HA HIS A 104 -36.644 33.198 69.197 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -35.282 30.914 68.739 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -34.292 31.610 70.007 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -38.234 31.070 69.637 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -37.045 30.145 73.597 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -39.025 30.265 71.927 1.00 0.00 H new ATOM 1683 N ASP A 105 -35.018 34.162 71.074 1.00 0.00 N ATOM 1684 CA ASP A 105 -34.350 35.152 71.902 1.00 0.00 C ATOM 1685 C ASP A 105 -34.532 34.783 73.376 1.00 0.00 C ATOM 1686 O ASP A 105 -35.312 33.890 73.704 1.00 0.00 O ATOM 1687 CB ASP A 105 -34.947 36.544 71.687 1.00 0.00 C ATOM 1688 CG ASP A 105 -33.922 37.671 71.542 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -32.865 37.402 70.932 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -34.219 38.776 72.045 1.00 0.00 O ATOM 0 H ASP A 105 -35.640 33.532 71.580 1.00 0.00 H new ATOM 0 HA ASP A 105 -33.295 35.166 71.627 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -35.570 36.522 70.793 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -35.603 36.775 72.526 1.00 0.00 H new ATOM 1695 N GLU A 106 -33.798 35.488 74.224 1.00 0.00 N ATOM 1696 CA GLU A 106 -33.868 35.246 75.655 1.00 0.00 C ATOM 1697 C GLU A 106 -33.613 36.543 76.426 1.00 0.00 C ATOM 1698 O GLU A 106 -32.731 37.320 76.065 1.00 0.00 O ATOM 1699 CB GLU A 106 -32.881 34.155 76.075 1.00 0.00 C ATOM 1700 CG GLU A 106 -33.117 33.731 77.526 1.00 0.00 C ATOM 1701 CD GLU A 106 -31.797 33.652 78.296 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -31.044 34.647 78.234 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -31.572 32.598 78.929 1.00 0.00 O ATOM 0 H GLU A 106 -33.152 36.227 73.948 1.00 0.00 H new ATOM 0 HA GLU A 106 -34.871 34.895 75.896 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -32.987 33.292 75.418 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -31.860 34.519 75.960 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -33.784 34.443 78.013 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -33.614 32.761 77.549 1.00 0.00 H new ATOM 1710 N ILE A 107 -34.401 36.736 77.473 1.00 0.00 N ATOM 1711 CA ILE A 107 -34.272 37.925 78.298 1.00 0.00 C ATOM 1712 C ILE A 107 -33.106 37.741 79.271 1.00 0.00 C ATOM 1713 O ILE A 107 -32.467 36.690 79.289 1.00 0.00 O ATOM 1714 CB ILE A 107 -35.601 38.248 78.984 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -36.003 37.133 79.953 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -36.695 38.534 77.954 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -35.622 37.492 81.390 1.00 0.00 C ATOM 0 H ILE A 107 -35.132 36.089 77.769 1.00 0.00 H new ATOM 0 HA ILE A 107 -34.039 38.793 77.682 1.00 0.00 H new ATOM 0 HB ILE A 107 -35.469 39.155 79.573 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -37.078 36.961 79.890 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -35.514 36.202 79.665 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -37.629 38.761 78.468 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -36.403 39.386 77.340 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -36.834 37.659 77.318 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -35.919 36.683 82.058 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -34.544 37.639 81.455 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -36.132 38.410 81.683 1.00 0.00 H new ATOM 1729 N ASN A 108 -32.863 38.779 80.057 1.00 0.00 N ATOM 1730 CA ASN A 108 -31.785 38.746 81.031 1.00 0.00 C ATOM 1731 C ASN A 108 -31.867 39.988 81.919 1.00 0.00 C ATOM 1732 O ASN A 108 -32.445 41.000 81.526 1.00 0.00 O ATOM 1733 CB ASN A 108 -30.420 38.747 80.341 1.00 0.00 C ATOM 1734 CG ASN A 108 -29.611 37.506 80.723 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -30.097 36.590 81.366 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -28.352 37.527 80.293 1.00 0.00 N ATOM 0 H ASN A 108 -33.395 39.649 80.039 1.00 0.00 H new ATOM 0 HA ASN A 108 -31.891 37.835 81.620 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -30.555 38.779 79.260 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -29.868 39.645 80.620 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -27.730 36.745 80.497 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -28.009 38.325 79.759 1.00 0.00 H new ATOM 1743 N HIS A 109 -31.280 39.871 83.102 1.00 0.00 N ATOM 1744 CA HIS A 109 -31.280 40.972 84.049 1.00 0.00 C ATOM 1745 C HIS A 109 -30.416 40.608 85.258 1.00 0.00 C ATOM 1746 O HIS A 109 -30.287 39.435 85.603 1.00 0.00 O ATOM 1747 CB HIS A 109 -32.709 41.357 84.436 1.00 0.00 C ATOM 1748 CG HIS A 109 -32.897 42.831 84.705 1.00 0.00 C ATOM 1749 ND1 HIS A 109 -33.351 43.717 83.744 1.00 0.00 N ATOM 1750 CD2 HIS A 109 -32.689 43.564 85.837 1.00 0.00 C ATOM 1751 CE1 HIS A 109 -33.408 44.926 84.283 1.00 0.00 C ATOM 1752 NE2 HIS A 109 -32.997 44.829 85.580 1.00 0.00 N ATOM 0 H HIS A 109 -30.801 39.030 83.425 1.00 0.00 H new ATOM 0 HA HIS A 109 -30.842 41.855 83.585 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -33.385 41.055 83.636 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -32.997 40.796 85.325 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -32.334 43.180 86.782 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -33.724 45.830 83.783 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -32.936 45.602 86.243 1.00 0.00 H new ATOM 1760 N VAL A 110 -29.846 41.637 85.869 1.00 0.00 N ATOM 1761 CA VAL A 110 -28.998 41.440 87.033 1.00 0.00 C ATOM 1762 C VAL A 110 -29.369 42.463 88.108 1.00 0.00 C ATOM 1763 O VAL A 110 -30.025 43.463 87.818 1.00 0.00 O ATOM 1764 CB VAL A 110 -27.525 41.509 86.624 1.00 0.00 C ATOM 1765 CG1 VAL A 110 -26.956 42.910 86.861 1.00 0.00 C ATOM 1766 CG2 VAL A 110 -26.702 40.451 87.360 1.00 0.00 C ATOM 0 H VAL A 110 -29.955 42.609 85.580 1.00 0.00 H new ATOM 0 HA VAL A 110 -29.157 40.449 87.459 1.00 0.00 H new ATOM 0 HB VAL A 110 -27.463 41.298 85.556 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -25.908 42.932 86.562 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -27.517 43.635 86.271 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -27.037 43.162 87.918 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -25.659 40.522 87.051 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -26.774 40.617 88.435 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -27.085 39.459 87.119 1.00 0.00 H new ATOM 1776 N GLN A 111 -28.933 42.179 89.326 1.00 0.00 N ATOM 1777 CA GLN A 111 -29.211 43.062 90.446 1.00 0.00 C ATOM 1778 C GLN A 111 -27.911 43.666 90.981 1.00 0.00 C ATOM 1779 O GLN A 111 -26.828 43.351 90.490 1.00 0.00 O ATOM 1780 CB GLN A 111 -29.969 42.324 91.551 1.00 0.00 C ATOM 1781 CG GLN A 111 -29.122 41.191 92.134 1.00 0.00 C ATOM 1782 CD GLN A 111 -28.000 41.744 93.016 1.00 0.00 C ATOM 1783 OE1 GLN A 111 -26.794 41.683 92.458 1.00 0.00 O flip ATOM 1784 NE2 GLN A 111 -28.214 42.194 94.129 1.00 0.00 N flip ATOM 0 H GLN A 111 -28.389 41.349 89.562 1.00 0.00 H new ATOM 0 HA GLN A 111 -29.848 43.874 90.094 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -30.240 43.024 92.341 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -30.899 41.919 91.151 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -29.754 40.523 92.719 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -28.695 40.598 91.325 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -29.165 42.211 94.498 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -27.442 42.553 94.691 1.00 0.00 H new ATOM 1793 N LYS A 112 -28.061 44.522 91.981 1.00 0.00 N ATOM 1794 CA LYS A 112 -26.912 45.173 92.588 1.00 0.00 C ATOM 1795 C LYS A 112 -27.362 45.924 93.843 1.00 0.00 C ATOM 1796 O LYS A 112 -28.429 46.535 93.857 1.00 0.00 O ATOM 1797 CB LYS A 112 -26.195 46.057 91.566 1.00 0.00 C ATOM 1798 CG LYS A 112 -24.819 46.484 92.081 1.00 0.00 C ATOM 1799 CD LYS A 112 -24.661 48.005 92.025 1.00 0.00 C ATOM 1800 CE LYS A 112 -24.851 48.627 93.410 1.00 0.00 C ATOM 1801 NZ LYS A 112 -24.217 49.963 93.470 1.00 0.00 N ATOM 0 H LYS A 112 -28.961 44.780 92.386 1.00 0.00 H new ATOM 0 HA LYS A 112 -26.177 44.433 92.905 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -26.084 45.516 90.626 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -26.799 46.940 91.356 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -24.687 46.139 93.106 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -24.040 46.011 91.483 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -23.673 48.258 91.641 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -25.389 48.425 91.331 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -25.914 48.712 93.634 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -24.416 47.977 94.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -24.355 50.371 94.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -23.199 49.873 93.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -24.651 50.585 92.758 1.00 0.00 H new ATOM 1829 N TYR A 114 -25.654 47.977 97.646 1.00 0.00 N ATOM 1830 CA TYR A 114 -24.508 48.496 98.374 1.00 0.00 C ATOM 1831 C TYR A 114 -24.936 49.563 99.383 1.00 0.00 C ATOM 1832 O TYR A 114 -25.937 50.249 99.179 1.00 0.00 O ATOM 1833 CB TYR A 114 -23.597 49.138 97.325 1.00 0.00 C ATOM 1834 CG TYR A 114 -22.261 49.633 97.881 1.00 0.00 C ATOM 1835 CD1 TYR A 114 -22.226 50.726 98.723 1.00 0.00 C ATOM 1836 CD2 TYR A 114 -21.090 48.987 97.541 1.00 0.00 C ATOM 1837 CE1 TYR A 114 -20.968 51.193 99.246 1.00 0.00 C ATOM 1838 CE2 TYR A 114 -19.832 49.453 98.064 1.00 0.00 C ATOM 1839 CZ TYR A 114 -19.833 50.533 98.891 1.00 0.00 C ATOM 1840 OH TYR A 114 -18.645 50.973 99.385 1.00 0.00 O ATOM 0 HA TYR A 114 -24.012 47.698 98.927 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -23.404 48.413 96.534 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -24.122 49.977 96.867 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -23.142 51.231 98.990 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -21.117 48.132 96.882 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -20.927 52.048 99.905 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -18.908 48.956 97.806 1.00 0.00 H new ATOM 0 HH TYR A 114 -17.920 50.406 99.048 1.00 0.00 H new ATOM 1850 N ALA A 115 -24.157 49.670 100.449 1.00 0.00 N ATOM 1851 CA ALA A 115 -24.444 50.643 101.490 1.00 0.00 C ATOM 1852 C ALA A 115 -23.132 51.089 102.140 1.00 0.00 C ATOM 1853 O ALA A 115 -22.059 50.618 101.767 1.00 0.00 O ATOM 1854 CB ALA A 115 -25.418 50.036 102.502 1.00 0.00 C ATOM 0 H ALA A 115 -23.328 49.100 100.615 1.00 0.00 H new ATOM 0 HA ALA A 115 -24.921 51.527 101.068 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -25.633 50.766 103.283 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -26.344 49.762 101.996 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -24.972 49.148 102.949 1.00 0.00 H new ATOM 1860 N GLU A 116 -23.262 51.994 103.099 1.00 0.00 N ATOM 1861 CA GLU A 116 -22.100 52.509 103.804 1.00 0.00 C ATOM 1862 C GLU A 116 -22.178 52.151 105.289 1.00 0.00 C ATOM 1863 O GLU A 116 -23.231 52.290 105.910 1.00 0.00 O ATOM 1864 CB GLU A 116 -21.968 54.021 103.610 1.00 0.00 C ATOM 1865 CG GLU A 116 -21.562 54.357 102.174 1.00 0.00 C ATOM 1866 CD GLU A 116 -22.020 55.765 101.789 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -23.250 55.944 101.653 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.131 56.630 101.639 1.00 0.00 O ATOM 0 H GLU A 116 -24.154 52.384 103.404 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.208 52.043 103.385 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -22.915 54.505 103.846 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -21.226 54.417 104.303 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.479 54.282 102.072 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.998 53.629 101.490 1.00 0.00 H new ATOM 1875 N MET A 117 -21.051 51.698 105.816 1.00 0.00 N ATOM 1876 CA MET A 117 -20.978 51.319 107.217 1.00 0.00 C ATOM 1877 C MET A 117 -20.288 52.406 108.044 1.00 0.00 C ATOM 1878 O MET A 117 -19.403 53.100 107.547 1.00 0.00 O ATOM 1879 CB MET A 117 -20.204 50.006 107.351 1.00 0.00 C ATOM 1880 CG MET A 117 -20.938 48.862 106.649 1.00 0.00 C ATOM 1881 SD MET A 117 -20.124 48.468 105.110 1.00 0.00 S ATOM 1882 CE MET A 117 -21.534 48.423 104.016 1.00 0.00 C ATOM 0 H MET A 117 -20.180 51.585 105.298 1.00 0.00 H new ATOM 0 HA MET A 117 -21.993 51.192 107.593 1.00 0.00 H new ATOM 0 HB2 MET A 117 -19.209 50.121 106.922 1.00 0.00 H new ATOM 0 HB3 MET A 117 -20.071 49.764 108.405 1.00 0.00 H new ATOM 0 HG2 MET A 117 -20.960 47.983 107.294 1.00 0.00 H new ATOM 0 HG3 MET A 117 -21.974 49.145 106.460 1.00 0.00 H new ATOM 0 HE1 MET A 117 -21.191 48.383 102.982 1.00 0.00 H new ATOM 0 HE2 MET A 117 -22.135 47.540 104.233 1.00 0.00 H new ATOM 0 HE3 MET A 117 -22.138 49.318 104.164 1.00 0.00 H new ATOM 1892 N ASP A 118 -20.720 52.519 109.291 1.00 0.00 N ATOM 1893 CA ASP A 118 -20.155 53.509 110.191 1.00 0.00 C ATOM 1894 C ASP A 118 -20.801 53.366 111.571 1.00 0.00 C ATOM 1895 O ASP A 118 -22.025 53.369 111.690 1.00 0.00 O ATOM 1896 CB ASP A 118 -20.425 54.929 109.689 1.00 0.00 C ATOM 1897 CG ASP A 118 -21.764 55.117 108.971 1.00 0.00 C ATOM 1898 OD1 ASP A 118 -22.685 54.328 109.274 1.00 0.00 O ATOM 1899 OD2 ASP A 118 -21.835 56.045 108.137 1.00 0.00 O ATOM 0 H ASP A 118 -21.455 51.941 109.699 1.00 0.00 H new ATOM 0 HA ASP A 118 -19.079 53.342 110.241 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -20.386 55.612 110.538 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -19.622 55.217 109.010 1.00 0.00 H new ATOM 1904 N PRO A 119 -19.926 53.239 112.605 1.00 0.00 N ATOM 1905 CA PRO A 119 -20.399 53.094 113.971 1.00 0.00 C ATOM 1906 C PRO A 119 -20.908 54.429 114.520 1.00 0.00 C ATOM 1907 O PRO A 119 -22.108 54.602 114.727 1.00 0.00 O ATOM 1908 CB PRO A 119 -19.208 52.550 114.743 1.00 0.00 C ATOM 1909 CG PRO A 119 -17.986 52.848 113.890 1.00 0.00 C ATOM 1910 CD PRO A 119 -18.470 53.231 112.501 1.00 0.00 C ATOM 0 HA PRO A 119 -21.252 52.420 114.052 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -19.127 53.025 115.721 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -19.311 51.479 114.916 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -17.403 53.658 114.328 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -17.333 51.976 113.840 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -18.089 54.208 112.204 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -18.130 52.516 111.752 1.00 0.00 H new ATOM 1918 N THR A 120 -19.970 55.338 114.739 1.00 0.00 N ATOM 1919 CA THR A 120 -20.308 56.652 115.259 1.00 0.00 C ATOM 1920 C THR A 120 -19.156 57.631 115.025 1.00 0.00 C ATOM 1921 O THR A 120 -18.102 57.247 114.521 1.00 0.00 O ATOM 1922 CB THR A 120 -20.681 56.495 116.735 1.00 0.00 C ATOM 1923 OG1 THR A 120 -21.211 57.767 117.097 1.00 0.00 O ATOM 1924 CG2 THR A 120 -19.455 56.332 117.635 1.00 0.00 C ATOM 0 H THR A 120 -18.976 55.191 114.566 1.00 0.00 H new ATOM 0 HA THR A 120 -21.165 57.076 114.735 1.00 0.00 H new ATOM 0 HB THR A 120 -21.335 55.631 116.853 1.00 0.00 H new ATOM 0 HG1 THR A 120 -21.480 57.753 118.039 1.00 0.00 H new ATOM 0 HG21 THR A 120 -19.776 56.225 118.671 1.00 0.00 H new ATOM 0 HG22 THR A 120 -18.898 55.445 117.334 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.816 57.210 117.542 1.00 0.00 H new ATOM 1932 N THR A 121 -19.396 58.879 115.403 1.00 0.00 N ATOM 1933 CA THR A 121 -18.392 59.916 115.240 1.00 0.00 C ATOM 1934 C THR A 121 -17.759 60.262 116.590 1.00 0.00 C ATOM 1935 O THR A 121 -18.363 60.040 117.638 1.00 0.00 O ATOM 1936 CB THR A 121 -19.055 61.113 114.555 1.00 0.00 C ATOM 1937 OG1 THR A 121 -17.962 61.859 114.027 1.00 0.00 O ATOM 1938 CG2 THR A 121 -19.712 62.069 115.553 1.00 0.00 C ATOM 0 H THR A 121 -20.271 59.194 115.821 1.00 0.00 H new ATOM 0 HA THR A 121 -17.571 59.576 114.609 1.00 0.00 H new ATOM 0 HB THR A 121 -19.804 60.758 113.847 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.301 62.653 113.564 1.00 0.00 H new ATOM 0 HG21 THR A 121 -20.167 62.900 115.015 1.00 0.00 H new ATOM 0 HG22 THR A 121 -20.479 61.537 116.115 1.00 0.00 H new ATOM 0 HG23 THR A 121 -18.958 62.452 116.241 1.00 0.00 H new ATOM 1946 N ALA A 122 -16.551 60.801 116.520 1.00 0.00 N ATOM 1947 CA ALA A 122 -15.830 61.180 117.723 1.00 0.00 C ATOM 1948 C ALA A 122 -15.257 62.587 117.547 1.00 0.00 C ATOM 1949 O ALA A 122 -14.645 62.889 116.523 1.00 0.00 O ATOM 1950 CB ALA A 122 -14.745 60.141 118.017 1.00 0.00 C ATOM 0 H ALA A 122 -16.053 60.984 115.649 1.00 0.00 H new ATOM 0 HA ALA A 122 -16.501 61.202 118.582 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -14.204 60.425 118.920 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -15.206 59.164 118.163 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -14.051 60.092 117.178 1.00 0.00 H new ATOM 1956 N ALA A 123 -15.475 63.412 118.561 1.00 0.00 N ATOM 1957 CA ALA A 123 -14.988 64.780 118.531 1.00 0.00 C ATOM 1958 C ALA A 123 -15.079 65.380 119.936 1.00 0.00 C ATOM 1959 O ALA A 123 -14.910 64.674 120.928 1.00 0.00 O ATOM 1960 CB ALA A 123 -15.785 65.584 117.501 1.00 0.00 C ATOM 0 H ALA A 123 -15.983 63.159 119.409 1.00 0.00 H new ATOM 0 HA ALA A 123 -13.942 64.808 118.227 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -15.419 66.611 117.479 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -15.664 65.134 116.516 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -16.840 65.581 117.774 1.00 0.00 H new ATOM 1966 N LEU A 124 -15.346 66.678 119.974 1.00 0.00 N ATOM 1967 CA LEU A 124 -15.461 67.381 121.240 1.00 0.00 C ATOM 1968 C LEU A 124 -14.240 67.065 122.107 1.00 0.00 C ATOM 1969 O LEU A 124 -14.191 66.025 122.762 1.00 0.00 O ATOM 1970 CB LEU A 124 -16.795 67.054 121.915 1.00 0.00 C ATOM 1971 CG LEU A 124 -17.920 68.069 121.704 1.00 0.00 C ATOM 1972 CD1 LEU A 124 -19.106 67.431 120.979 1.00 0.00 C ATOM 1973 CD2 LEU A 124 -18.336 68.710 123.030 1.00 0.00 C ATOM 0 H LEU A 124 -15.486 67.260 119.148 1.00 0.00 H new ATOM 0 HA LEU A 124 -15.467 68.459 121.078 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -17.135 66.084 121.552 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -16.622 66.951 122.986 1.00 0.00 H new ATOM 0 HG LEU A 124 -17.544 68.867 121.064 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -19.891 68.174 120.842 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -18.782 67.062 120.006 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -19.491 66.601 121.572 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -19.137 69.427 122.852 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -18.687 67.937 123.714 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -17.481 69.223 123.470 1.00 0.00 H new ATOM 1985 N GLU A 125 -13.285 67.983 122.083 1.00 0.00 N ATOM 1986 CA GLU A 125 -12.067 67.816 122.858 1.00 0.00 C ATOM 1987 C GLU A 125 -12.015 68.841 123.993 1.00 0.00 C ATOM 1988 O GLU A 125 -12.488 69.966 123.840 1.00 0.00 O ATOM 1989 CB GLU A 125 -10.829 67.923 121.965 1.00 0.00 C ATOM 1990 CG GLU A 125 -10.033 66.617 121.973 1.00 0.00 C ATOM 1991 CD GLU A 125 -8.590 66.852 121.520 1.00 0.00 C ATOM 1992 OE1 GLU A 125 -8.366 66.802 120.291 1.00 0.00 O ATOM 1993 OE2 GLU A 125 -7.744 67.075 122.412 1.00 0.00 O ATOM 0 H GLU A 125 -13.330 68.845 121.539 1.00 0.00 H new ATOM 0 HA GLU A 125 -12.073 66.818 123.296 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -11.131 68.163 120.946 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -10.197 68.741 122.311 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.038 66.190 122.976 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.511 65.891 121.315 1.00 0.00 H new ATOM 2000 N LYS A 126 -11.437 68.415 125.106 1.00 0.00 N ATOM 2001 CA LYS A 126 -11.317 69.282 126.266 1.00 0.00 C ATOM 2002 C LYS A 126 -9.841 69.606 126.505 1.00 0.00 C ATOM 2003 O LYS A 126 -8.971 69.125 125.781 1.00 0.00 O ATOM 2004 CB LYS A 126 -12.013 68.657 127.476 1.00 0.00 C ATOM 2005 CG LYS A 126 -13.221 69.492 127.906 1.00 0.00 C ATOM 2006 CD LYS A 126 -12.794 70.648 128.814 1.00 0.00 C ATOM 2007 CE LYS A 126 -13.865 70.943 129.866 1.00 0.00 C ATOM 2008 NZ LYS A 126 -13.333 70.709 131.227 1.00 0.00 N ATOM 0 H LYS A 126 -11.047 67.481 125.229 1.00 0.00 H new ATOM 0 HA LYS A 126 -11.827 70.229 126.088 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -12.335 67.645 127.232 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.309 68.577 128.304 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.728 69.885 127.025 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -13.937 68.859 128.430 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -11.854 70.400 129.307 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -12.614 71.540 128.213 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -14.200 71.976 129.773 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -14.735 70.309 129.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -14.073 70.914 131.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -13.035 69.717 131.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -12.517 71.332 131.392 1.00 0.00 H new ATOM 2022 N GLU A 127 -9.604 70.419 127.524 1.00 0.00 N ATOM 2023 CA GLU A 127 -8.248 70.812 127.868 1.00 0.00 C ATOM 2024 C GLU A 127 -8.176 71.241 129.335 1.00 0.00 C ATOM 2025 O GLU A 127 -9.200 71.334 130.009 1.00 0.00 O ATOM 2026 CB GLU A 127 -7.750 71.927 126.946 1.00 0.00 C ATOM 2027 CG GLU A 127 -6.278 71.722 126.583 1.00 0.00 C ATOM 2028 CD GLU A 127 -5.998 72.174 125.148 1.00 0.00 C ATOM 2029 OE1 GLU A 127 -6.907 71.995 124.310 1.00 0.00 O ATOM 2030 OE2 GLU A 127 -4.881 72.688 124.923 1.00 0.00 O ATOM 0 H GLU A 127 -10.328 70.816 128.123 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.594 69.951 127.729 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -8.352 71.949 126.038 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.876 72.892 127.436 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.648 72.282 127.274 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.016 70.670 126.694 1.00 0.00 H new ATOM 2037 N SER A 128 -6.955 71.492 129.785 1.00 0.00 N ATOM 2038 CA SER A 128 -6.736 71.909 131.160 1.00 0.00 C ATOM 2039 C SER A 128 -5.433 72.704 131.264 1.00 0.00 C ATOM 2040 O SER A 128 -4.670 72.781 130.302 1.00 0.00 O ATOM 2041 CB SER A 128 -6.698 70.704 132.102 1.00 0.00 C ATOM 2042 OG SER A 128 -7.777 70.720 133.032 1.00 0.00 O ATOM 0 H SER A 128 -6.108 71.415 129.222 1.00 0.00 H new ATOM 0 HA SER A 128 -7.568 72.545 131.461 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.737 69.785 131.517 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.752 70.697 132.644 1.00 0.00 H new ATOM 0 HG SER A 128 -7.719 69.934 133.614 1.00 0.00 H new ATOM 2048 N GLY A 129 -5.218 73.275 132.440 1.00 0.00 N ATOM 2049 CA GLY A 129 -4.020 74.062 132.682 1.00 0.00 C ATOM 2050 C GLY A 129 -3.688 74.109 134.175 1.00 0.00 C ATOM 2051 O GLY A 129 -4.566 74.345 135.003 1.00 0.00 O ATOM 0 H GLY A 129 -5.853 73.209 133.236 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.182 73.633 132.133 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.164 75.075 132.306 1.00 0.00 H new ATOM 2055 N PRO A 130 -2.383 73.875 134.480 1.00 0.00 N ATOM 2056 CA PRO A 130 -1.924 73.888 135.859 1.00 0.00 C ATOM 2057 C PRO A 130 -1.827 75.319 136.391 1.00 0.00 C ATOM 2058 O PRO A 130 -2.159 76.271 135.686 1.00 0.00 O ATOM 2059 CB PRO A 130 -0.583 73.172 135.833 1.00 0.00 C ATOM 2060 CG PRO A 130 -0.126 73.196 134.384 1.00 0.00 C ATOM 2061 CD PRO A 130 -1.316 73.592 133.526 1.00 0.00 C ATOM 0 HA PRO A 130 -2.615 73.388 136.538 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.139 73.672 136.479 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -0.680 72.148 136.195 1.00 0.00 H new ATOM 0 HG2 PRO A 130 0.691 73.905 134.253 1.00 0.00 H new ATOM 0 HG3 PRO A 130 0.250 72.217 134.086 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.090 74.465 132.914 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.597 72.789 132.844 1.00 0.00 H new ATOM 2069 N SER A 131 -1.371 75.427 137.630 1.00 0.00 N ATOM 2070 CA SER A 131 -1.227 76.726 138.264 1.00 0.00 C ATOM 2071 C SER A 131 -0.136 76.667 139.336 1.00 0.00 C ATOM 2072 O SER A 131 0.348 75.588 139.675 1.00 0.00 O ATOM 2073 CB SER A 131 -2.549 77.189 138.879 1.00 0.00 C ATOM 2074 OG SER A 131 -2.911 76.411 140.016 1.00 0.00 O ATOM 0 H SER A 131 -1.096 74.636 138.212 1.00 0.00 H new ATOM 0 HA SER A 131 -0.940 77.449 137.500 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.467 78.237 139.168 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.339 77.126 138.130 1.00 0.00 H new ATOM 0 HG SER A 131 -3.759 76.739 140.380 1.00 0.00 H new ATOM 2080 N SER A 132 0.219 77.840 139.839 1.00 0.00 N ATOM 2081 CA SER A 132 1.243 77.935 140.865 1.00 0.00 C ATOM 2082 C SER A 132 0.823 78.947 141.932 1.00 0.00 C ATOM 2083 O SER A 132 -0.159 79.667 141.757 1.00 0.00 O ATOM 2084 CB SER A 132 2.593 78.330 140.261 1.00 0.00 C ATOM 2085 OG SER A 132 3.334 77.194 139.822 1.00 0.00 O ATOM 0 H SER A 132 -0.184 78.733 139.555 1.00 0.00 H new ATOM 0 HA SER A 132 1.355 76.954 141.328 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.431 79.004 139.420 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.175 78.879 141.002 1.00 0.00 H new ATOM 0 HG SER A 132 4.188 77.488 139.441 1.00 0.00 H new ATOM 2091 N GLY A 133 1.587 78.970 143.014 1.00 0.00 N ATOM 2092 CA GLY A 133 1.306 79.882 144.110 1.00 0.00 C ATOM 2093 C GLY A 133 0.708 79.136 145.305 1.00 0.00 C ATOM 2094 O GLY A 133 -0.156 79.666 146.002 1.00 0.00 O ATOM 0 H GLY A 133 2.401 78.372 143.155 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.224 80.385 144.413 1.00 0.00 H new ATOM 0 HA3 GLY A 133 0.614 80.655 143.776 1.00 0.00 H new