USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 513 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 365 THR OG1 : rot 25:sc= 0.00592 USER MOD Set 1.2: A 426 ASN : amide:sc= -0.368 X(o=-0.36,f=-0.48) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 374 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -0.909 F(o=-1.9!,f=-0.91) USER MOD Single : A 384 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 SER OG : rot 72:sc= 1.24 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -2.72! X(o=-2.7!,f=-2.3) USER MOD Single : A 398 ASN : amide:sc= 1.14 K(o=1.1,f=-4.3!) USER MOD Single : A 401 LYS NZ :NH3+ -131:sc= -0.1 (180deg=-1.85!) USER MOD Single : A 402 TYR OH : rot -130:sc= -1.88! USER MOD Single : A 404 ASN :FLIP amide:sc=-0.00191 F(o=-1,f=-0.0019) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.161 F(o=-1.2,f=-0.16) USER MOD Single : A 407 SER OG : rot 42:sc= 0.0898 USER MOD Single : A 413 HIS : no HE2:sc= 0.76 K(o=0.76,f=-2.6!) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot -12:sc= 0.68 USER MOD Single : A 435 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 157:sc= -1.17! (180deg=-2.85!) USER MOD Single : A 437 CYS SG : rot 180:sc= 0 USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 156:sc= -1.68 (180deg=-3.58!) USER MOD Single : A 444 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.748) USER MOD Single : A 445 SER OG : rot 180:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.695 -2.968 -1.250 1.00 63.13 N ATOM 132 CA THR A 365 8.589 -3.252 0.150 1.00 21.24 C ATOM 133 C THR A 365 7.591 -4.375 0.282 1.00 24.50 C ATOM 134 O THR A 365 6.531 -4.320 -0.324 1.00 64.11 O ATOM 135 CB THR A 365 8.135 -2.001 0.932 1.00 32.14 C ATOM 136 OG1 THR A 365 9.076 -0.940 0.714 1.00 32.13 O ATOM 137 CG2 THR A 365 8.018 -2.286 2.423 1.00 4.14 C ATOM 0 HA THR A 365 9.553 -3.541 0.569 1.00 21.24 H new ATOM 0 HB THR A 365 7.149 -1.709 0.570 1.00 32.14 H new ATOM 0 HG1 THR A 365 9.541 -1.085 -0.136 1.00 32.13 H new ATOM 0 HG21 THR A 365 7.696 -1.383 2.942 1.00 4.14 H new ATOM 0 HG22 THR A 365 7.287 -3.078 2.586 1.00 4.14 H new ATOM 0 HG23 THR A 365 8.987 -2.601 2.810 1.00 4.14 H new ATOM 143 N LYS A 366 7.922 -5.403 1.002 1.00 45.31 N ATOM 144 CA LYS A 366 7.036 -6.534 1.068 1.00 2.44 C ATOM 145 C LYS A 366 7.041 -7.152 2.454 1.00 15.45 C ATOM 146 O LYS A 366 8.053 -7.095 3.160 1.00 22.30 O ATOM 147 CB LYS A 366 7.401 -7.597 0.018 1.00 44.24 C ATOM 148 CG LYS A 366 8.722 -8.295 0.267 1.00 50.21 C ATOM 149 CD LYS A 366 9.952 -7.492 -0.130 1.00 41.22 C ATOM 150 CE LYS A 366 10.140 -7.438 -1.641 1.00 52.21 C ATOM 151 NZ LYS A 366 11.402 -6.736 -2.013 1.00 5.33 N ATOM 0 H LYS A 366 8.782 -5.487 1.544 1.00 45.31 H new ATOM 0 HA LYS A 366 6.032 -6.168 0.852 1.00 2.44 H new ATOM 0 HB2 LYS A 366 6.609 -8.345 -0.014 1.00 44.24 H new ATOM 0 HB3 LYS A 366 7.433 -7.124 -0.964 1.00 44.24 H new ATOM 0 HG2 LYS A 366 8.793 -8.542 1.326 1.00 50.21 H new ATOM 0 HG3 LYS A 366 8.728 -9.237 -0.281 1.00 50.21 H new ATOM 0 HD2 LYS A 366 9.863 -6.478 0.260 1.00 41.22 H new ATOM 0 HD3 LYS A 366 10.836 -7.934 0.329 1.00 41.22 H new ATOM 0 HE2 LYS A 366 10.155 -8.451 -2.043 1.00 52.21 H new ATOM 0 HE3 LYS A 366 9.291 -6.927 -2.096 1.00 52.21 H new ATOM 0 HZ1 LYS A 366 11.497 -6.718 -3.048 1.00 5.33 H new ATOM 0 HZ2 LYS A 366 11.377 -5.761 -1.651 1.00 5.33 H new ATOM 0 HZ3 LYS A 366 12.213 -7.238 -1.600 1.00 5.33 H new ATOM 165 N ARG A 367 5.926 -7.742 2.843 1.00 3.13 N ATOM 166 CA ARG A 367 5.810 -8.345 4.155 1.00 4.55 C ATOM 167 C ARG A 367 4.617 -9.303 4.152 1.00 23.21 C ATOM 168 O ARG A 367 3.564 -8.980 3.600 1.00 54.23 O ATOM 169 CB ARG A 367 5.670 -7.195 5.190 1.00 2.54 C ATOM 170 CG ARG A 367 5.855 -7.535 6.667 1.00 1.42 C ATOM 171 CD ARG A 367 4.677 -8.180 7.333 1.00 15.02 C ATOM 172 NE ARG A 367 4.935 -8.320 8.776 1.00 62.52 N ATOM 173 CZ ARG A 367 4.113 -8.858 9.679 1.00 44.12 C ATOM 174 NH1 ARG A 367 3.049 -9.536 9.298 1.00 2.25 N ATOM 175 NH2 ARG A 367 4.399 -8.765 10.969 1.00 61.54 N ATOM 0 H ARG A 367 5.087 -7.816 2.267 1.00 3.13 H new ATOM 0 HA ARG A 367 6.687 -8.934 4.423 1.00 4.55 H new ATOM 0 HB2 ARG A 367 6.395 -6.423 4.932 1.00 2.54 H new ATOM 0 HB3 ARG A 367 4.680 -6.756 5.070 1.00 2.54 H new ATOM 0 HG2 ARG A 367 6.714 -8.199 6.764 1.00 1.42 H new ATOM 0 HG3 ARG A 367 6.098 -6.619 7.205 1.00 1.42 H new ATOM 0 HD2 ARG A 367 3.782 -7.579 7.171 1.00 15.02 H new ATOM 0 HD3 ARG A 367 4.489 -9.159 6.891 1.00 15.02 H new ATOM 0 HE ARG A 367 5.830 -7.971 9.119 1.00 62.52 H new ATOM 0 HH11 ARG A 367 2.848 -9.653 8.305 1.00 2.25 H new ATOM 0 HH12 ARG A 367 2.427 -9.943 9.996 1.00 2.25 H new ATOM 0 HH21 ARG A 367 5.246 -8.283 11.270 1.00 61.54 H new ATOM 0 HH22 ARG A 367 3.772 -9.175 11.661 1.00 61.54 H new ATOM 187 N GLU A 368 4.794 -10.478 4.735 1.00 70.23 N ATOM 188 CA GLU A 368 3.722 -11.491 4.774 1.00 1.34 C ATOM 189 C GLU A 368 2.728 -11.134 5.824 1.00 55.34 C ATOM 190 O GLU A 368 3.087 -10.936 6.973 1.00 32.41 O ATOM 191 CB GLU A 368 4.236 -12.922 5.041 1.00 70.21 C ATOM 192 CG GLU A 368 5.050 -13.574 3.927 1.00 32.44 C ATOM 193 CD GLU A 368 6.312 -12.844 3.584 1.00 45.30 C ATOM 194 OE1 GLU A 368 7.260 -12.852 4.404 1.00 42.14 O ATOM 195 OE2 GLU A 368 6.395 -12.274 2.488 1.00 24.41 O ATOM 0 H GLU A 368 5.661 -10.764 5.189 1.00 70.23 H new ATOM 0 HA GLU A 368 3.266 -11.490 3.784 1.00 1.34 H new ATOM 0 HB2 GLU A 368 4.848 -12.902 5.943 1.00 70.21 H new ATOM 0 HB3 GLU A 368 3.377 -13.559 5.253 1.00 70.21 H new ATOM 0 HG2 GLU A 368 5.301 -14.592 4.224 1.00 32.44 H new ATOM 0 HG3 GLU A 368 4.430 -13.646 3.033 1.00 32.44 H new ATOM 202 N ILE A 369 1.491 -11.037 5.448 1.00 22.12 N ATOM 203 CA ILE A 369 0.461 -10.663 6.356 1.00 51.23 C ATOM 204 C ILE A 369 -0.680 -11.599 6.127 1.00 51.33 C ATOM 205 O ILE A 369 -1.170 -11.696 5.026 1.00 45.15 O ATOM 206 CB ILE A 369 0.012 -9.200 6.097 1.00 73.04 C ATOM 207 CG1 ILE A 369 1.235 -8.289 6.120 1.00 60.31 C ATOM 208 CG2 ILE A 369 -0.973 -8.759 7.175 1.00 20.31 C ATOM 209 CD1 ILE A 369 0.967 -6.876 5.748 1.00 35.42 C ATOM 0 H ILE A 369 1.169 -11.217 4.497 1.00 22.12 H new ATOM 0 HA ILE A 369 0.815 -10.720 7.385 1.00 51.23 H new ATOM 0 HB ILE A 369 -0.476 -9.139 5.124 1.00 73.04 H new ATOM 0 HG12 ILE A 369 1.668 -8.311 7.120 1.00 60.31 H new ATOM 0 HG13 ILE A 369 1.984 -8.693 5.439 1.00 60.31 H new ATOM 0 HG21 ILE A 369 -1.283 -7.731 6.986 1.00 20.31 H new ATOM 0 HG22 ILE A 369 -1.847 -9.411 7.158 1.00 20.31 H new ATOM 0 HG23 ILE A 369 -0.494 -8.819 8.152 1.00 20.31 H new ATOM 0 HD11 ILE A 369 1.895 -6.306 5.793 1.00 35.42 H new ATOM 0 HD12 ILE A 369 0.565 -6.836 4.736 1.00 35.42 H new ATOM 0 HD13 ILE A 369 0.244 -6.448 6.442 1.00 35.42 H new ATOM 216 N GLY A 370 -1.045 -12.344 7.135 1.00 4.12 N ATOM 217 CA GLY A 370 -2.123 -13.307 6.989 1.00 14.53 C ATOM 218 C GLY A 370 -1.769 -14.448 6.034 1.00 62.40 C ATOM 219 O GLY A 370 -2.643 -15.194 5.598 1.00 41.54 O ATOM 0 H GLY A 370 -0.621 -12.310 8.062 1.00 4.12 H new ATOM 0 HA2 GLY A 370 -2.370 -13.720 7.967 1.00 14.53 H new ATOM 0 HA3 GLY A 370 -3.014 -12.796 6.624 1.00 14.53 H new ATOM 223 N GLY A 371 -0.492 -14.570 5.701 1.00 62.10 N ATOM 224 CA GLY A 371 -0.051 -15.629 4.839 1.00 21.50 C ATOM 225 C GLY A 371 0.278 -15.163 3.445 1.00 73.34 C ATOM 226 O GLY A 371 0.959 -15.864 2.692 1.00 62.31 O ATOM 0 H GLY A 371 0.247 -13.944 6.020 1.00 62.10 H new ATOM 0 HA2 GLY A 371 0.830 -16.100 5.275 1.00 21.50 H new ATOM 0 HA3 GLY A 371 -0.827 -16.392 4.786 1.00 21.50 H new ATOM 230 N TYR A 372 -0.199 -14.002 3.091 1.00 1.25 N ATOM 231 CA TYR A 372 0.039 -13.463 1.794 1.00 64.03 C ATOM 232 C TYR A 372 1.062 -12.355 1.859 1.00 21.23 C ATOM 233 O TYR A 372 1.092 -11.586 2.818 1.00 71.13 O ATOM 234 CB TYR A 372 -1.283 -13.016 1.138 1.00 72.25 C ATOM 235 CG TYR A 372 -2.186 -12.159 2.011 1.00 32.02 C ATOM 236 CD1 TYR A 372 -1.935 -10.819 2.207 1.00 53.52 C ATOM 237 CD2 TYR A 372 -3.301 -12.713 2.636 1.00 35.14 C ATOM 238 CE1 TYR A 372 -2.759 -10.050 2.998 1.00 5.53 C ATOM 239 CE2 TYR A 372 -4.134 -11.944 3.427 1.00 31.23 C ATOM 240 CZ TYR A 372 -3.852 -10.612 3.604 1.00 23.22 C ATOM 241 OH TYR A 372 -4.677 -9.827 4.380 1.00 21.41 O ATOM 0 H TYR A 372 -0.763 -13.408 3.698 1.00 1.25 H new ATOM 0 HA TYR A 372 0.457 -14.242 1.157 1.00 64.03 H new ATOM 0 HB2 TYR A 372 -1.049 -12.460 0.230 1.00 72.25 H new ATOM 0 HB3 TYR A 372 -1.837 -13.904 0.834 1.00 72.25 H new ATOM 0 HD1 TYR A 372 -1.078 -10.364 1.733 1.00 53.52 H new ATOM 0 HD2 TYR A 372 -3.518 -13.762 2.500 1.00 35.14 H new ATOM 0 HE1 TYR A 372 -2.543 -9.001 3.141 1.00 5.53 H new ATOM 0 HE2 TYR A 372 -4.998 -12.386 3.901 1.00 31.23 H new ATOM 0 HH TYR A 372 -5.407 -10.374 4.738 1.00 21.41 H new ATOM 251 N THR A 373 1.903 -12.289 0.876 1.00 44.45 N ATOM 252 CA THR A 373 2.922 -11.286 0.830 1.00 24.24 C ATOM 253 C THR A 373 2.355 -9.997 0.290 1.00 73.04 C ATOM 254 O THR A 373 1.833 -9.949 -0.826 1.00 1.21 O ATOM 255 CB THR A 373 4.124 -11.740 -0.035 1.00 25.55 C ATOM 256 OG1 THR A 373 4.699 -12.926 0.534 1.00 64.24 O ATOM 257 CG2 THR A 373 5.195 -10.657 -0.117 1.00 3.45 C ATOM 0 H THR A 373 1.904 -12.929 0.082 1.00 44.45 H new ATOM 0 HA THR A 373 3.281 -11.126 1.847 1.00 24.24 H new ATOM 0 HB THR A 373 3.759 -11.938 -1.043 1.00 25.55 H new ATOM 0 HG1 THR A 373 5.519 -12.692 1.018 1.00 64.24 H new ATOM 0 HG21 THR A 373 6.023 -11.010 -0.732 1.00 3.45 H new ATOM 0 HG22 THR A 373 4.770 -9.758 -0.563 1.00 3.45 H new ATOM 0 HG23 THR A 373 5.558 -10.428 0.885 1.00 3.45 H new ATOM 263 N TYR A 374 2.420 -8.980 1.081 1.00 63.44 N ATOM 264 CA TYR A 374 1.999 -7.710 0.658 1.00 51.31 C ATOM 265 C TYR A 374 3.165 -6.997 0.069 1.00 24.10 C ATOM 266 O TYR A 374 4.196 -6.897 0.709 1.00 22.23 O ATOM 267 CB TYR A 374 1.436 -6.936 1.817 1.00 73.20 C ATOM 268 CG TYR A 374 0.043 -6.580 1.562 1.00 32.51 C ATOM 269 CD1 TYR A 374 -0.246 -5.539 0.731 1.00 54.43 C ATOM 270 CD2 TYR A 374 -0.991 -7.308 2.104 1.00 14.31 C ATOM 271 CE1 TYR A 374 -1.519 -5.209 0.441 1.00 73.43 C ATOM 272 CE2 TYR A 374 -2.300 -6.984 1.806 1.00 53.21 C ATOM 273 CZ TYR A 374 -2.559 -5.936 0.980 1.00 14.23 C ATOM 274 OH TYR A 374 -3.869 -5.616 0.676 1.00 15.34 O ATOM 0 H TYR A 374 2.769 -9.017 2.039 1.00 63.44 H new ATOM 0 HA TYR A 374 1.214 -7.809 -0.092 1.00 51.31 H new ATOM 0 HB2 TYR A 374 1.505 -7.531 2.728 1.00 73.20 H new ATOM 0 HB3 TYR A 374 2.025 -6.033 1.980 1.00 73.20 H new ATOM 0 HD1 TYR A 374 0.561 -4.968 0.297 1.00 54.43 H new ATOM 0 HD2 TYR A 374 -0.778 -8.135 2.765 1.00 14.31 H new ATOM 0 HE1 TYR A 374 -1.725 -4.375 -0.214 1.00 73.43 H new ATOM 0 HE2 TYR A 374 -3.112 -7.559 2.226 1.00 53.21 H new ATOM 0 HH TYR A 374 -4.473 -6.232 1.142 1.00 15.34 H new ATOM 284 N LYS A 375 3.020 -6.512 -1.135 1.00 54.12 N ATOM 285 CA LYS A 375 4.136 -5.899 -1.811 1.00 14.15 C ATOM 286 C LYS A 375 3.759 -4.527 -2.274 1.00 43.20 C ATOM 287 O LYS A 375 2.761 -4.353 -2.959 1.00 42.11 O ATOM 288 CB LYS A 375 4.565 -6.711 -3.032 1.00 2.01 C ATOM 289 CG LYS A 375 5.893 -6.247 -3.626 1.00 30.43 C ATOM 290 CD LYS A 375 6.166 -6.914 -4.951 1.00 32.42 C ATOM 291 CE LYS A 375 5.246 -6.374 -6.033 1.00 73.55 C ATOM 292 NZ LYS A 375 5.430 -7.084 -7.312 1.00 1.51 N ATOM 0 H LYS A 375 2.149 -6.528 -1.666 1.00 54.12 H new ATOM 0 HA LYS A 375 4.962 -5.855 -1.102 1.00 14.15 H new ATOM 0 HB2 LYS A 375 4.647 -7.761 -2.752 1.00 2.01 H new ATOM 0 HB3 LYS A 375 3.790 -6.644 -3.795 1.00 2.01 H new ATOM 0 HG2 LYS A 375 5.876 -5.165 -3.758 1.00 30.43 H new ATOM 0 HG3 LYS A 375 6.702 -6.471 -2.931 1.00 30.43 H new ATOM 0 HD2 LYS A 375 7.205 -6.750 -5.237 1.00 32.42 H new ATOM 0 HD3 LYS A 375 6.028 -7.991 -4.855 1.00 32.42 H new ATOM 0 HE2 LYS A 375 4.209 -6.470 -5.710 1.00 73.55 H new ATOM 0 HE3 LYS A 375 5.438 -5.311 -6.176 1.00 73.55 H new ATOM 0 HZ1 LYS A 375 4.785 -6.687 -8.025 1.00 1.51 H new ATOM 0 HZ2 LYS A 375 6.413 -6.972 -7.633 1.00 1.51 H new ATOM 0 HZ3 LYS A 375 5.222 -8.095 -7.181 1.00 1.51 H new ATOM 306 N VAL A 376 4.546 -3.577 -1.926 1.00 63.04 N ATOM 307 CA VAL A 376 4.305 -2.207 -2.331 1.00 4.53 C ATOM 308 C VAL A 376 5.521 -1.627 -3.059 1.00 71.22 C ATOM 309 O VAL A 376 6.622 -1.557 -2.499 1.00 12.33 O ATOM 310 CB VAL A 376 3.864 -1.304 -1.111 1.00 41.44 C ATOM 311 CG1 VAL A 376 4.857 -1.371 0.005 1.00 34.44 C ATOM 312 CG2 VAL A 376 3.678 0.147 -1.521 1.00 3.21 C ATOM 0 H VAL A 376 5.380 -3.708 -1.353 1.00 63.04 H new ATOM 0 HA VAL A 376 3.473 -2.212 -3.035 1.00 4.53 H new ATOM 0 HB VAL A 376 2.908 -1.699 -0.767 1.00 41.44 H new ATOM 0 HG11 VAL A 376 4.523 -0.739 0.828 1.00 34.44 H new ATOM 0 HG12 VAL A 376 4.946 -2.401 0.352 1.00 34.44 H new ATOM 0 HG13 VAL A 376 5.827 -1.023 -0.350 1.00 34.44 H new ATOM 0 HG21 VAL A 376 3.375 0.734 -0.654 1.00 3.21 H new ATOM 0 HG22 VAL A 376 4.617 0.537 -1.913 1.00 3.21 H new ATOM 0 HG23 VAL A 376 2.908 0.212 -2.290 1.00 3.21 H new ATOM 318 N VAL A 377 5.342 -1.275 -4.324 1.00 5.31 N ATOM 319 CA VAL A 377 6.399 -0.635 -5.063 1.00 32.25 C ATOM 320 C VAL A 377 6.015 0.817 -5.222 1.00 14.12 C ATOM 321 O VAL A 377 5.022 1.136 -5.893 1.00 70.32 O ATOM 322 CB VAL A 377 6.596 -1.284 -6.447 1.00 43.41 C ATOM 323 CG1 VAL A 377 7.739 -0.615 -7.194 1.00 10.40 C ATOM 324 CG2 VAL A 377 6.852 -2.773 -6.298 1.00 52.21 C ATOM 0 H VAL A 377 4.480 -1.424 -4.849 1.00 5.31 H new ATOM 0 HA VAL A 377 7.342 -0.740 -4.526 1.00 32.25 H new ATOM 0 HB VAL A 377 5.684 -1.146 -7.028 1.00 43.41 H new ATOM 0 HG11 VAL A 377 7.862 -1.087 -8.169 1.00 10.40 H new ATOM 0 HG12 VAL A 377 7.515 0.443 -7.329 1.00 10.40 H new ATOM 0 HG13 VAL A 377 8.660 -0.721 -6.620 1.00 10.40 H new ATOM 0 HG21 VAL A 377 6.989 -3.219 -7.283 1.00 52.21 H new ATOM 0 HG22 VAL A 377 7.750 -2.930 -5.700 1.00 52.21 H new ATOM 0 HG23 VAL A 377 6.001 -3.241 -5.803 1.00 52.21 H new ATOM 330 N PHE A 378 6.800 1.685 -4.642 1.00 70.41 N ATOM 331 CA PHE A 378 6.459 3.082 -4.545 1.00 2.51 C ATOM 332 C PHE A 378 6.501 3.835 -5.855 1.00 33.22 C ATOM 333 O PHE A 378 7.471 3.749 -6.607 1.00 22.12 O ATOM 334 CB PHE A 378 7.239 3.765 -3.437 1.00 62.01 C ATOM 335 CG PHE A 378 6.897 3.208 -2.090 1.00 14.34 C ATOM 336 CD1 PHE A 378 5.734 3.590 -1.459 1.00 73.42 C ATOM 337 CD2 PHE A 378 7.723 2.291 -1.465 1.00 4.24 C ATOM 338 CE1 PHE A 378 5.395 3.080 -0.229 1.00 62.25 C ATOM 339 CE2 PHE A 378 7.391 1.775 -0.234 1.00 52.25 C ATOM 340 CZ PHE A 378 6.223 2.173 0.382 1.00 43.32 C ATOM 0 H PHE A 378 7.697 1.444 -4.222 1.00 70.41 H new ATOM 0 HA PHE A 378 5.405 3.110 -4.269 1.00 2.51 H new ATOM 0 HB2 PHE A 378 8.307 3.647 -3.619 1.00 62.01 H new ATOM 0 HB3 PHE A 378 7.030 4.835 -3.452 1.00 62.01 H new ATOM 0 HD1 PHE A 378 5.078 4.302 -1.938 1.00 73.42 H new ATOM 0 HD2 PHE A 378 8.637 1.977 -1.948 1.00 4.24 H new ATOM 0 HE1 PHE A 378 4.481 3.392 0.254 1.00 62.25 H new ATOM 0 HE2 PHE A 378 8.042 1.061 0.248 1.00 52.25 H new ATOM 0 HZ PHE A 378 5.959 1.769 1.348 1.00 43.32 H new ATOM 350 N TYR A 379 5.404 4.586 -6.100 1.00 35.21 N ATOM 351 CA TYR A 379 5.160 5.342 -7.316 1.00 51.45 C ATOM 352 C TYR A 379 4.844 4.439 -8.503 1.00 30.14 C ATOM 353 O TYR A 379 4.798 4.886 -9.652 1.00 51.24 O ATOM 354 CB TYR A 379 6.254 6.392 -7.587 1.00 53.33 C ATOM 355 CG TYR A 379 6.222 7.548 -6.586 1.00 64.21 C ATOM 356 CD1 TYR A 379 6.586 7.365 -5.252 1.00 70.13 C ATOM 357 CD2 TYR A 379 5.808 8.814 -6.976 1.00 5.41 C ATOM 358 CE1 TYR A 379 6.543 8.408 -4.345 1.00 45.52 C ATOM 359 CE2 TYR A 379 5.764 9.864 -6.075 1.00 31.22 C ATOM 360 CZ TYR A 379 6.134 9.655 -4.764 1.00 34.30 C ATOM 361 OH TYR A 379 6.093 10.696 -3.868 1.00 34.22 O ATOM 0 H TYR A 379 4.647 4.675 -5.423 1.00 35.21 H new ATOM 0 HA TYR A 379 4.253 5.925 -7.157 1.00 51.45 H new ATOM 0 HB2 TYR A 379 7.231 5.911 -7.549 1.00 53.33 H new ATOM 0 HB3 TYR A 379 6.132 6.786 -8.596 1.00 53.33 H new ATOM 0 HD1 TYR A 379 6.908 6.389 -4.921 1.00 70.13 H new ATOM 0 HD2 TYR A 379 5.515 8.983 -8.002 1.00 5.41 H new ATOM 0 HE1 TYR A 379 6.828 8.246 -3.316 1.00 45.52 H new ATOM 0 HE2 TYR A 379 5.441 10.843 -6.398 1.00 31.22 H new ATOM 0 HH TYR A 379 5.784 11.507 -4.323 1.00 34.22 H new ATOM 371 N GLU A 380 4.573 3.167 -8.201 1.00 24.32 N ATOM 372 CA GLU A 380 4.164 2.207 -9.202 1.00 30.31 C ATOM 373 C GLU A 380 2.853 1.506 -8.857 1.00 32.20 C ATOM 374 O GLU A 380 1.770 1.974 -9.226 1.00 31.42 O ATOM 375 CB GLU A 380 5.262 1.188 -9.523 1.00 63.54 C ATOM 376 CG GLU A 380 6.433 1.773 -10.280 1.00 62.34 C ATOM 377 CD GLU A 380 7.420 0.737 -10.727 1.00 72.32 C ATOM 378 OE1 GLU A 380 7.113 -0.003 -11.687 1.00 1.44 O ATOM 379 OE2 GLU A 380 8.518 0.660 -10.161 1.00 3.24 O ATOM 0 H GLU A 380 4.634 2.785 -7.257 1.00 24.32 H new ATOM 0 HA GLU A 380 3.985 2.793 -10.104 1.00 30.31 H new ATOM 0 HB2 GLU A 380 5.624 0.752 -8.592 1.00 63.54 H new ATOM 0 HB3 GLU A 380 4.831 0.376 -10.109 1.00 63.54 H new ATOM 0 HG2 GLU A 380 6.062 2.313 -11.151 1.00 62.34 H new ATOM 0 HG3 GLU A 380 6.941 2.501 -9.647 1.00 62.34 H new ATOM 386 N ASN A 381 2.942 0.432 -8.092 1.00 11.02 N ATOM 387 CA ASN A 381 1.779 -0.419 -7.811 1.00 31.20 C ATOM 388 C ASN A 381 1.979 -1.338 -6.605 1.00 62.53 C ATOM 389 O ASN A 381 3.116 -1.698 -6.261 1.00 44.34 O ATOM 390 CB ASN A 381 1.353 -1.217 -9.077 1.00 70.14 C ATOM 391 CG ASN A 381 2.515 -1.886 -9.842 1.00 23.25 C ATOM 392 OD1 ASN A 381 3.572 -2.277 -9.161 1.00 31.41 O flip ATOM 393 ND2 ASN A 381 2.437 -2.053 -11.054 1.00 13.41 N flip ATOM 0 H ASN A 381 3.806 0.121 -7.649 1.00 11.02 H new ATOM 0 HA ASN A 381 0.964 0.252 -7.539 1.00 31.20 H new ATOM 0 HB2 ASN A 381 0.640 -1.987 -8.781 1.00 70.14 H new ATOM 0 HB3 ASN A 381 0.830 -0.543 -9.756 1.00 70.14 H new ATOM 0 HD21 ASN A 381 1.608 -1.741 -11.559 1.00 13.41 H new ATOM 0 HD22 ASN A 381 3.201 -2.504 -11.557 1.00 13.41 H new ATOM 399 N VAL A 382 0.868 -1.697 -5.971 1.00 2.25 N ATOM 400 CA VAL A 382 0.841 -2.564 -4.785 1.00 63.25 C ATOM 401 C VAL A 382 0.162 -3.862 -5.149 1.00 12.31 C ATOM 402 O VAL A 382 -0.725 -3.884 -6.021 1.00 3.51 O ATOM 403 CB VAL A 382 0.050 -1.912 -3.600 1.00 15.22 C ATOM 404 CG1 VAL A 382 0.095 -2.763 -2.335 1.00 51.03 C ATOM 405 CG2 VAL A 382 0.582 -0.563 -3.306 1.00 63.42 C ATOM 0 H VAL A 382 -0.059 -1.391 -6.268 1.00 2.25 H new ATOM 0 HA VAL A 382 1.870 -2.725 -4.464 1.00 63.25 H new ATOM 0 HB VAL A 382 -0.991 -1.839 -3.916 1.00 15.22 H new ATOM 0 HG11 VAL A 382 -0.468 -2.268 -1.543 1.00 51.03 H new ATOM 0 HG12 VAL A 382 -0.346 -3.739 -2.537 1.00 51.03 H new ATOM 0 HG13 VAL A 382 1.130 -2.891 -2.019 1.00 51.03 H new ATOM 0 HG21 VAL A 382 0.022 -0.123 -2.481 1.00 63.42 H new ATOM 0 HG22 VAL A 382 1.634 -0.639 -3.031 1.00 63.42 H new ATOM 0 HG23 VAL A 382 0.482 0.068 -4.189 1.00 63.42 H new ATOM 411 N PHE A 383 0.562 -4.927 -4.503 1.00 31.32 N ATOM 412 CA PHE A 383 0.041 -6.239 -4.771 1.00 55.30 C ATOM 413 C PHE A 383 -0.170 -7.013 -3.489 1.00 54.54 C ATOM 414 O PHE A 383 0.596 -6.872 -2.527 1.00 43.43 O ATOM 415 CB PHE A 383 1.034 -7.042 -5.646 1.00 34.13 C ATOM 416 CG PHE A 383 1.204 -6.572 -7.059 1.00 54.42 C ATOM 417 CD1 PHE A 383 1.986 -5.477 -7.343 1.00 5.33 C ATOM 418 CD2 PHE A 383 0.586 -7.233 -8.103 1.00 13.00 C ATOM 419 CE1 PHE A 383 2.146 -5.044 -8.628 1.00 52.31 C ATOM 420 CE2 PHE A 383 0.746 -6.801 -9.402 1.00 12.44 C ATOM 421 CZ PHE A 383 1.528 -5.702 -9.661 1.00 55.45 C ATOM 0 H PHE A 383 1.268 -4.905 -3.767 1.00 31.32 H new ATOM 0 HA PHE A 383 -0.910 -6.110 -5.287 1.00 55.30 H new ATOM 0 HB2 PHE A 383 2.010 -7.025 -5.160 1.00 34.13 H new ATOM 0 HB3 PHE A 383 0.707 -8.082 -5.668 1.00 34.13 H new ATOM 0 HD1 PHE A 383 2.480 -4.952 -6.539 1.00 5.33 H new ATOM 0 HD2 PHE A 383 -0.029 -8.097 -7.899 1.00 13.00 H new ATOM 0 HE1 PHE A 383 2.761 -4.180 -8.832 1.00 52.31 H new ATOM 0 HE2 PHE A 383 0.259 -7.324 -10.212 1.00 12.44 H new ATOM 0 HZ PHE A 383 1.656 -5.356 -10.676 1.00 55.45 H new ATOM 431 N GLN A 384 -1.207 -7.811 -3.475 1.00 33.14 N ATOM 432 CA GLN A 384 -1.408 -8.774 -2.432 1.00 13.53 C ATOM 433 C GLN A 384 -1.120 -10.123 -3.039 1.00 21.25 C ATOM 434 O GLN A 384 -1.883 -10.579 -3.903 1.00 2.05 O ATOM 435 CB GLN A 384 -2.845 -8.795 -1.932 1.00 35.15 C ATOM 436 CG GLN A 384 -3.051 -9.771 -0.768 1.00 40.23 C ATOM 437 CD GLN A 384 -4.508 -10.025 -0.467 1.00 73.42 C ATOM 438 OE1 GLN A 384 -5.125 -10.943 -1.024 1.00 74.11 O ATOM 439 NE2 GLN A 384 -5.065 -9.244 0.401 1.00 74.11 N ATOM 0 H GLN A 384 -1.935 -7.808 -4.189 1.00 33.14 H new ATOM 0 HA GLN A 384 -0.763 -8.525 -1.589 1.00 13.53 H new ATOM 0 HB2 GLN A 384 -3.130 -7.792 -1.615 1.00 35.15 H new ATOM 0 HB3 GLN A 384 -3.507 -9.070 -2.753 1.00 35.15 H new ATOM 0 HG2 GLN A 384 -2.563 -10.717 -1.003 1.00 40.23 H new ATOM 0 HG3 GLN A 384 -2.565 -9.374 0.123 1.00 40.23 H new ATOM 0 HE21 GLN A 384 -4.523 -8.499 0.838 1.00 74.11 H new ATOM 0 HE22 GLN A 384 -6.046 -9.374 0.648 1.00 74.11 H new ATOM 447 N ASP A 385 -0.027 -10.731 -2.631 1.00 1.14 N ATOM 448 CA ASP A 385 0.400 -12.054 -3.111 1.00 72.32 C ATOM 449 C ASP A 385 0.833 -11.976 -4.567 1.00 52.23 C ATOM 450 O ASP A 385 2.005 -11.734 -4.874 1.00 34.13 O ATOM 451 CB ASP A 385 -0.724 -13.107 -2.939 1.00 61.12 C ATOM 452 CG ASP A 385 -0.303 -14.528 -3.270 1.00 22.43 C ATOM 453 OD1 ASP A 385 -0.407 -14.933 -4.446 1.00 15.30 O ATOM 454 OD2 ASP A 385 0.101 -15.273 -2.345 1.00 14.11 O ATOM 0 H ASP A 385 0.609 -10.324 -1.945 1.00 1.14 H new ATOM 0 HA ASP A 385 1.250 -12.370 -2.506 1.00 72.32 H new ATOM 0 HB2 ASP A 385 -1.080 -13.076 -1.909 1.00 61.12 H new ATOM 0 HB3 ASP A 385 -1.565 -12.832 -3.576 1.00 61.12 H new ATOM 459 N SER A 386 -0.119 -12.119 -5.447 1.00 52.44 N ATOM 460 CA SER A 386 0.119 -12.067 -6.851 1.00 14.11 C ATOM 461 C SER A 386 -0.963 -11.226 -7.504 1.00 11.02 C ATOM 462 O SER A 386 -0.942 -10.990 -8.713 1.00 13.40 O ATOM 463 CB SER A 386 0.097 -13.488 -7.420 1.00 1.32 C ATOM 464 OG SER A 386 1.005 -14.331 -6.710 1.00 32.11 O ATOM 0 H SER A 386 -1.095 -12.277 -5.198 1.00 52.44 H new ATOM 0 HA SER A 386 1.093 -11.620 -7.051 1.00 14.11 H new ATOM 0 HB2 SER A 386 -0.912 -13.895 -7.355 1.00 1.32 H new ATOM 0 HB3 SER A 386 0.364 -13.466 -8.477 1.00 1.32 H new ATOM 0 HG SER A 386 0.646 -14.521 -5.818 1.00 32.11 H new ATOM 470 N ILE A 387 -1.904 -10.753 -6.696 1.00 20.11 N ATOM 471 CA ILE A 387 -3.003 -9.990 -7.222 1.00 33.34 C ATOM 472 C ILE A 387 -2.631 -8.531 -7.267 1.00 42.32 C ATOM 473 O ILE A 387 -2.036 -8.011 -6.315 1.00 32.22 O ATOM 474 CB ILE A 387 -4.299 -10.176 -6.363 1.00 34.42 C ATOM 475 CG1 ILE A 387 -4.743 -11.641 -6.354 1.00 42.41 C ATOM 476 CG2 ILE A 387 -5.435 -9.282 -6.848 1.00 5.12 C ATOM 477 CD1 ILE A 387 -5.046 -12.218 -7.725 1.00 43.22 C ATOM 0 H ILE A 387 -1.919 -10.888 -5.685 1.00 20.11 H new ATOM 0 HA ILE A 387 -3.212 -10.353 -8.228 1.00 33.34 H new ATOM 0 HB ILE A 387 -4.053 -9.878 -5.344 1.00 34.42 H new ATOM 0 HG12 ILE A 387 -3.962 -12.241 -5.886 1.00 42.41 H new ATOM 0 HG13 ILE A 387 -5.632 -11.734 -5.731 1.00 42.41 H new ATOM 0 HG21 ILE A 387 -6.315 -9.442 -6.225 1.00 5.12 H new ATOM 0 HG22 ILE A 387 -5.129 -8.238 -6.783 1.00 5.12 H new ATOM 0 HG23 ILE A 387 -5.674 -9.526 -7.883 1.00 5.12 H new ATOM 0 HD11 ILE A 387 -5.352 -13.259 -7.622 1.00 43.22 H new ATOM 0 HD12 ILE A 387 -5.850 -11.647 -8.190 1.00 43.22 H new ATOM 0 HD13 ILE A 387 -4.154 -12.162 -8.348 1.00 43.22 H new ATOM 484 N LEU A 388 -3.003 -7.862 -8.340 1.00 75.01 N ATOM 485 CA LEU A 388 -2.761 -6.461 -8.459 1.00 62.42 C ATOM 486 C LEU A 388 -3.741 -5.791 -7.559 1.00 72.10 C ATOM 487 O LEU A 388 -4.948 -5.935 -7.702 1.00 32.30 O ATOM 488 CB LEU A 388 -2.959 -5.994 -9.908 1.00 61.53 C ATOM 489 CG LEU A 388 -2.848 -4.479 -10.159 1.00 72.11 C ATOM 490 CD1 LEU A 388 -1.473 -3.940 -9.790 1.00 60.32 C ATOM 491 CD2 LEU A 388 -3.189 -4.150 -11.599 1.00 42.50 C ATOM 0 H LEU A 388 -3.476 -8.281 -9.141 1.00 75.01 H new ATOM 0 HA LEU A 388 -1.735 -6.216 -8.184 1.00 62.42 H new ATOM 0 HB2 LEU A 388 -2.223 -6.499 -10.534 1.00 61.53 H new ATOM 0 HB3 LEU A 388 -3.942 -6.325 -10.242 1.00 61.53 H new ATOM 0 HG LEU A 388 -3.571 -3.986 -9.509 1.00 72.11 H new ATOM 0 HD11 LEU A 388 -1.439 -2.868 -9.983 1.00 60.32 H new ATOM 0 HD12 LEU A 388 -1.281 -4.125 -8.733 1.00 60.32 H new ATOM 0 HD13 LEU A 388 -0.713 -4.441 -10.390 1.00 60.32 H new ATOM 0 HD21 LEU A 388 -3.105 -3.075 -11.756 1.00 42.50 H new ATOM 0 HD22 LEU A 388 -2.499 -4.669 -12.264 1.00 42.50 H new ATOM 0 HD23 LEU A 388 -4.209 -4.469 -11.813 1.00 42.50 H new ATOM 499 N LEU A 389 -3.236 -5.121 -6.606 1.00 12.35 N ATOM 500 CA LEU A 389 -4.032 -4.562 -5.625 1.00 1.50 C ATOM 501 C LEU A 389 -4.422 -3.153 -5.989 1.00 32.33 C ATOM 502 O LEU A 389 -5.592 -2.854 -6.084 1.00 41.53 O ATOM 503 CB LEU A 389 -3.305 -4.636 -4.316 1.00 3.04 C ATOM 504 CG LEU A 389 -4.068 -4.119 -3.183 1.00 32.34 C ATOM 505 CD1 LEU A 389 -5.280 -4.995 -2.890 1.00 21.24 C ATOM 506 CD2 LEU A 389 -3.220 -3.919 -1.992 1.00 22.44 C ATOM 0 H LEU A 389 -2.237 -4.948 -6.493 1.00 12.35 H new ATOM 0 HA LEU A 389 -4.963 -5.121 -5.534 1.00 1.50 H new ATOM 0 HB2 LEU A 389 -3.039 -5.674 -4.118 1.00 3.04 H new ATOM 0 HB3 LEU A 389 -2.372 -4.078 -4.398 1.00 3.04 H new ATOM 0 HG LEU A 389 -4.443 -3.134 -3.461 1.00 32.34 H new ATOM 0 HD11 LEU A 389 -5.828 -4.585 -2.042 1.00 21.24 H new ATOM 0 HD12 LEU A 389 -5.930 -5.021 -3.764 1.00 21.24 H new ATOM 0 HD13 LEU A 389 -4.949 -6.006 -2.654 1.00 21.24 H new ATOM 0 HD21 LEU A 389 -3.828 -3.534 -1.173 1.00 22.44 H new ATOM 0 HD22 LEU A 389 -2.776 -4.870 -1.698 1.00 22.44 H new ATOM 0 HD23 LEU A 389 -2.429 -3.205 -2.224 1.00 22.44 H new ATOM 514 N GLY A 390 -3.462 -2.300 -6.192 1.00 42.45 N ATOM 515 CA GLY A 390 -3.782 -0.963 -6.571 1.00 70.34 C ATOM 516 C GLY A 390 -2.616 -0.280 -7.202 1.00 41.21 C ATOM 517 O GLY A 390 -1.465 -0.565 -6.862 1.00 51.40 O ATOM 0 H GLY A 390 -2.467 -2.505 -6.102 1.00 42.45 H new ATOM 0 HA2 GLY A 390 -4.620 -0.972 -7.267 1.00 70.34 H new ATOM 0 HA3 GLY A 390 -4.103 -0.402 -5.693 1.00 70.34 H new ATOM 521 N ASN A 391 -2.897 0.596 -8.110 1.00 45.35 N ATOM 522 CA ASN A 391 -1.888 1.371 -8.784 1.00 31.14 C ATOM 523 C ASN A 391 -1.846 2.715 -8.135 1.00 5.21 C ATOM 524 O ASN A 391 -2.879 3.227 -7.713 1.00 61.41 O ATOM 525 CB ASN A 391 -2.227 1.538 -10.265 1.00 70.31 C ATOM 526 CG ASN A 391 -2.290 0.229 -11.023 1.00 63.35 C ATOM 527 OD1 ASN A 391 -3.460 -0.352 -11.084 1.00 51.51 O flip ATOM 528 ND2 ASN A 391 -1.292 -0.248 -11.558 1.00 34.11 N flip ATOM 0 H ASN A 391 -3.848 0.802 -8.415 1.00 45.35 H new ATOM 0 HA ASN A 391 -0.926 0.864 -8.713 1.00 31.14 H new ATOM 0 HB2 ASN A 391 -3.187 2.047 -10.354 1.00 70.31 H new ATOM 0 HB3 ASN A 391 -1.480 2.182 -10.730 1.00 70.31 H new ATOM 0 HD21 ASN A 391 -0.396 0.235 -11.488 1.00 34.11 H new ATOM 0 HD22 ASN A 391 -1.359 -1.127 -12.072 1.00 34.11 H new ATOM 534 N PHE A 392 -0.695 3.285 -8.050 1.00 44.01 N ATOM 535 CA PHE A 392 -0.530 4.559 -7.373 1.00 41.10 C ATOM 536 C PHE A 392 -1.164 5.686 -8.159 1.00 4.44 C ATOM 537 O PHE A 392 -0.766 5.967 -9.291 1.00 35.43 O ATOM 538 CB PHE A 392 0.945 4.852 -7.093 1.00 54.34 C ATOM 539 CG PHE A 392 1.606 3.959 -6.067 1.00 63.11 C ATOM 540 CD1 PHE A 392 1.395 2.594 -6.047 1.00 34.23 C ATOM 541 CD2 PHE A 392 2.475 4.494 -5.145 1.00 12.12 C ATOM 542 CE1 PHE A 392 2.033 1.801 -5.131 1.00 2.30 C ATOM 543 CE2 PHE A 392 3.109 3.701 -4.224 1.00 40.43 C ATOM 544 CZ PHE A 392 2.890 2.357 -4.216 1.00 11.04 C ATOM 0 H PHE A 392 0.165 2.898 -8.440 1.00 44.01 H new ATOM 0 HA PHE A 392 -1.045 4.489 -6.415 1.00 41.10 H new ATOM 0 HB2 PHE A 392 1.497 4.770 -8.029 1.00 54.34 H new ATOM 0 HB3 PHE A 392 1.035 5.886 -6.760 1.00 54.34 H new ATOM 0 HD1 PHE A 392 0.719 2.147 -6.762 1.00 34.23 H new ATOM 0 HD2 PHE A 392 2.661 5.558 -5.147 1.00 12.12 H new ATOM 0 HE1 PHE A 392 1.861 0.735 -5.129 1.00 2.30 H new ATOM 0 HE2 PHE A 392 3.783 4.142 -3.504 1.00 40.43 H new ATOM 0 HZ PHE A 392 3.390 1.731 -3.491 1.00 11.04 H new ATOM 554 N ALA A 393 -2.155 6.311 -7.568 1.00 41.23 N ATOM 555 CA ALA A 393 -2.850 7.399 -8.209 1.00 40.40 C ATOM 556 C ALA A 393 -2.158 8.709 -7.907 1.00 25.15 C ATOM 557 O ALA A 393 -1.919 9.517 -8.812 1.00 22.22 O ATOM 558 CB ALA A 393 -4.297 7.444 -7.751 1.00 73.52 C ATOM 0 H ALA A 393 -2.499 6.081 -6.636 1.00 41.23 H new ATOM 0 HA ALA A 393 -2.835 7.238 -9.287 1.00 40.40 H new ATOM 0 HB1 ALA A 393 -4.809 8.271 -8.244 1.00 73.52 H new ATOM 0 HB2 ALA A 393 -4.790 6.507 -8.009 1.00 73.52 H new ATOM 0 HB3 ALA A 393 -4.333 7.587 -6.671 1.00 73.52 H new ATOM 564 N SER A 394 -1.835 8.910 -6.640 1.00 75.12 N ATOM 565 CA SER A 394 -1.164 10.105 -6.184 1.00 71.45 C ATOM 566 C SER A 394 -0.697 9.912 -4.746 1.00 21.22 C ATOM 567 O SER A 394 -1.180 8.998 -4.040 1.00 51.44 O ATOM 568 CB SER A 394 -2.115 11.301 -6.277 1.00 64.42 C ATOM 569 OG SER A 394 -3.306 11.056 -5.544 1.00 32.13 O ATOM 0 H SER A 394 -2.035 8.240 -5.897 1.00 75.12 H new ATOM 0 HA SER A 394 -0.296 10.297 -6.815 1.00 71.45 H new ATOM 0 HB2 SER A 394 -1.623 12.194 -5.892 1.00 64.42 H new ATOM 0 HB3 SER A 394 -2.359 11.497 -7.321 1.00 64.42 H new ATOM 0 HG SER A 394 -3.899 11.833 -5.615 1.00 32.13 H new ATOM 575 N GLN A 395 0.251 10.724 -4.316 1.00 61.43 N ATOM 576 CA GLN A 395 0.735 10.669 -2.961 1.00 61.32 C ATOM 577 C GLN A 395 0.728 12.068 -2.418 1.00 70.14 C ATOM 578 O GLN A 395 1.102 13.008 -3.124 1.00 74.34 O ATOM 579 CB GLN A 395 2.193 10.156 -2.864 1.00 31.24 C ATOM 580 CG GLN A 395 2.528 8.830 -3.578 1.00 14.35 C ATOM 581 CD GLN A 395 2.469 8.890 -5.091 1.00 52.44 C ATOM 582 OE1 GLN A 395 2.701 9.922 -5.693 1.00 1.51 O ATOM 583 NE2 GLN A 395 2.176 7.781 -5.701 1.00 20.25 N ATOM 0 H GLN A 395 0.700 11.433 -4.896 1.00 61.43 H new ATOM 0 HA GLN A 395 0.092 9.985 -2.408 1.00 61.32 H new ATOM 0 HB2 GLN A 395 2.849 10.929 -3.264 1.00 31.24 H new ATOM 0 HB3 GLN A 395 2.441 10.042 -1.809 1.00 31.24 H new ATOM 0 HG2 GLN A 395 3.528 8.516 -3.280 1.00 14.35 H new ATOM 0 HG3 GLN A 395 1.836 8.062 -3.232 1.00 14.35 H new ATOM 0 HE21 GLN A 395 1.988 6.936 -5.161 1.00 20.25 H new ATOM 0 HE22 GLN A 395 2.134 7.755 -6.720 1.00 20.25 H new ATOM 591 N GLU A 396 0.313 12.234 -1.209 1.00 51.44 N ATOM 592 CA GLU A 396 0.374 13.524 -0.596 1.00 44.40 C ATOM 593 C GLU A 396 1.066 13.398 0.737 1.00 50.43 C ATOM 594 O GLU A 396 0.585 12.695 1.638 1.00 62.23 O ATOM 595 CB GLU A 396 -1.019 14.161 -0.458 1.00 24.31 C ATOM 596 CG GLU A 396 -1.963 13.461 0.491 1.00 25.33 C ATOM 597 CD GLU A 396 -3.334 14.079 0.488 1.00 74.42 C ATOM 598 OE1 GLU A 396 -3.517 15.128 1.145 1.00 61.25 O ATOM 599 OE2 GLU A 396 -4.248 13.534 -0.158 1.00 55.33 O ATOM 0 H GLU A 396 -0.073 11.495 -0.622 1.00 51.44 H new ATOM 0 HA GLU A 396 0.948 14.195 -1.236 1.00 44.40 H new ATOM 0 HB2 GLU A 396 -0.897 15.192 -0.126 1.00 24.31 H new ATOM 0 HB3 GLU A 396 -1.483 14.196 -1.444 1.00 24.31 H new ATOM 0 HG2 GLU A 396 -2.040 12.409 0.214 1.00 25.33 H new ATOM 0 HG3 GLU A 396 -1.553 13.496 1.500 1.00 25.33 H new ATOM 606 N GLY A 397 2.213 14.000 0.856 1.00 15.12 N ATOM 607 CA GLY A 397 2.900 13.943 2.100 1.00 5.05 C ATOM 608 C GLY A 397 3.482 12.570 2.366 1.00 13.43 C ATOM 609 O GLY A 397 4.512 12.195 1.816 1.00 41.52 O ATOM 0 H GLY A 397 2.681 14.526 0.118 1.00 15.12 H new ATOM 0 HA2 GLY A 397 3.700 14.683 2.106 1.00 5.05 H new ATOM 0 HA3 GLY A 397 2.214 14.208 2.905 1.00 5.05 H new ATOM 613 N ASN A 398 2.801 11.836 3.191 1.00 12.12 N ATOM 614 CA ASN A 398 3.177 10.489 3.562 1.00 13.12 C ATOM 615 C ASN A 398 1.995 9.561 3.354 1.00 2.42 C ATOM 616 O ASN A 398 1.980 8.424 3.844 1.00 12.52 O ATOM 617 CB ASN A 398 3.588 10.421 5.038 1.00 34.30 C ATOM 618 CG ASN A 398 2.483 10.858 6.017 1.00 41.42 C ATOM 619 OD1 ASN A 398 1.706 11.799 5.752 1.00 3.13 O ATOM 620 ND2 ASN A 398 2.350 10.137 7.101 1.00 1.13 N ATOM 0 H ASN A 398 1.944 12.157 3.642 1.00 12.12 H new ATOM 0 HA ASN A 398 4.020 10.188 2.940 1.00 13.12 H new ATOM 0 HB2 ASN A 398 3.886 9.400 5.275 1.00 34.30 H new ATOM 0 HB3 ASN A 398 4.464 11.052 5.190 1.00 34.30 H new ATOM 0 HD21 ASN A 398 1.595 10.337 7.757 1.00 1.13 H new ATOM 0 HD22 ASN A 398 3.001 9.375 7.290 1.00 1.13 H new ATOM 626 N VAL A 399 1.019 10.022 2.616 1.00 42.45 N ATOM 627 CA VAL A 399 -0.190 9.261 2.425 1.00 55.22 C ATOM 628 C VAL A 399 -0.340 8.966 0.959 1.00 14.24 C ATOM 629 O VAL A 399 -0.385 9.881 0.131 1.00 44.43 O ATOM 630 CB VAL A 399 -1.435 10.027 2.932 1.00 52.10 C ATOM 631 CG1 VAL A 399 -2.666 9.159 2.850 1.00 43.35 C ATOM 632 CG2 VAL A 399 -1.234 10.536 4.349 1.00 42.52 C ATOM 0 H VAL A 399 1.037 10.922 2.136 1.00 42.45 H new ATOM 0 HA VAL A 399 -0.117 8.338 3.000 1.00 55.22 H new ATOM 0 HB VAL A 399 -1.577 10.892 2.284 1.00 52.10 H new ATOM 0 HG11 VAL A 399 -3.530 9.717 3.211 1.00 43.35 H new ATOM 0 HG12 VAL A 399 -2.833 8.862 1.815 1.00 43.35 H new ATOM 0 HG13 VAL A 399 -2.526 8.270 3.465 1.00 43.35 H new ATOM 0 HG21 VAL A 399 -2.127 11.069 4.674 1.00 42.52 H new ATOM 0 HG22 VAL A 399 -1.052 9.693 5.016 1.00 42.52 H new ATOM 0 HG23 VAL A 399 -0.379 11.211 4.375 1.00 42.52 H new ATOM 638 N LEU A 400 -0.406 7.714 0.634 1.00 52.14 N ATOM 639 CA LEU A 400 -0.452 7.304 -0.730 1.00 44.11 C ATOM 640 C LEU A 400 -1.765 6.579 -1.032 1.00 32.43 C ATOM 641 O LEU A 400 -2.192 5.699 -0.275 1.00 72.45 O ATOM 642 CB LEU A 400 0.750 6.392 -1.077 1.00 14.00 C ATOM 643 CG LEU A 400 2.203 6.933 -0.874 1.00 63.43 C ATOM 644 CD1 LEU A 400 2.585 7.097 0.587 1.00 44.31 C ATOM 645 CD2 LEU A 400 3.205 6.047 -1.578 1.00 2.34 C ATOM 0 H LEU A 400 -0.429 6.949 1.308 1.00 52.14 H new ATOM 0 HA LEU A 400 -0.395 8.200 -1.349 1.00 44.11 H new ATOM 0 HB2 LEU A 400 0.653 5.482 -0.484 1.00 14.00 H new ATOM 0 HB3 LEU A 400 0.651 6.103 -2.123 1.00 14.00 H new ATOM 0 HG LEU A 400 2.221 7.929 -1.317 1.00 63.43 H new ATOM 0 HD11 LEU A 400 3.605 7.476 0.656 1.00 44.31 H new ATOM 0 HD12 LEU A 400 1.903 7.801 1.064 1.00 44.31 H new ATOM 0 HD13 LEU A 400 2.521 6.132 1.090 1.00 44.31 H new ATOM 0 HD21 LEU A 400 4.210 6.441 -1.425 1.00 2.34 H new ATOM 0 HD22 LEU A 400 3.145 5.037 -1.173 1.00 2.34 H new ATOM 0 HD23 LEU A 400 2.984 6.024 -2.645 1.00 2.34 H new ATOM 653 N LYS A 401 -2.397 6.963 -2.123 1.00 3.33 N ATOM 654 CA LYS A 401 -3.642 6.345 -2.581 1.00 4.11 C ATOM 655 C LYS A 401 -3.406 5.469 -3.784 1.00 14.14 C ATOM 656 O LYS A 401 -2.826 5.912 -4.796 1.00 51.54 O ATOM 657 CB LYS A 401 -4.697 7.395 -2.916 1.00 14.01 C ATOM 658 CG LYS A 401 -5.489 7.932 -1.734 1.00 24.13 C ATOM 659 CD LYS A 401 -6.403 6.847 -1.155 1.00 30.51 C ATOM 660 CE LYS A 401 -7.366 7.424 -0.134 1.00 21.32 C ATOM 661 NZ LYS A 401 -8.316 6.407 0.382 1.00 41.02 N ATOM 0 H LYS A 401 -2.066 7.716 -2.726 1.00 3.33 H new ATOM 0 HA LYS A 401 -4.010 5.729 -1.760 1.00 4.11 H new ATOM 0 HB2 LYS A 401 -4.206 8.232 -3.412 1.00 14.01 H new ATOM 0 HB3 LYS A 401 -5.396 6.966 -3.634 1.00 14.01 H new ATOM 0 HG2 LYS A 401 -4.805 8.287 -0.963 1.00 24.13 H new ATOM 0 HG3 LYS A 401 -6.087 8.787 -2.049 1.00 24.13 H new ATOM 0 HD2 LYS A 401 -6.964 6.374 -1.960 1.00 30.51 H new ATOM 0 HD3 LYS A 401 -5.798 6.070 -0.689 1.00 30.51 H new ATOM 0 HE2 LYS A 401 -6.801 7.845 0.698 1.00 21.32 H new ATOM 0 HE3 LYS A 401 -7.925 8.243 -0.587 1.00 21.32 H new ATOM 0 HZ1 LYS A 401 -9.285 6.782 0.336 1.00 41.02 H new ATOM 0 HZ2 LYS A 401 -8.251 5.546 -0.197 1.00 41.02 H new ATOM 0 HZ3 LYS A 401 -8.079 6.180 1.369 1.00 41.02 H new ATOM 675 N TYR A 402 -3.828 4.228 -3.684 1.00 54.13 N ATOM 676 CA TYR A 402 -3.676 3.296 -4.776 1.00 5.12 C ATOM 677 C TYR A 402 -5.059 2.852 -5.208 1.00 51.21 C ATOM 678 O TYR A 402 -5.900 2.574 -4.359 1.00 24.32 O ATOM 679 CB TYR A 402 -2.865 2.069 -4.337 1.00 31.14 C ATOM 680 CG TYR A 402 -1.741 2.382 -3.389 1.00 33.51 C ATOM 681 CD1 TYR A 402 -0.805 3.321 -3.694 1.00 20.45 C ATOM 682 CD2 TYR A 402 -1.642 1.743 -2.167 1.00 22.23 C ATOM 683 CE1 TYR A 402 0.202 3.618 -2.833 1.00 64.51 C ATOM 684 CE2 TYR A 402 -0.624 2.040 -1.300 1.00 71.20 C ATOM 685 CZ TYR A 402 0.294 2.980 -1.644 1.00 11.05 C ATOM 686 OH TYR A 402 1.328 3.280 -0.796 1.00 1.41 O ATOM 0 H TYR A 402 -4.280 3.842 -2.855 1.00 54.13 H new ATOM 0 HA TYR A 402 -3.146 3.780 -5.596 1.00 5.12 H new ATOM 0 HB2 TYR A 402 -3.537 1.354 -3.863 1.00 31.14 H new ATOM 0 HB3 TYR A 402 -2.455 1.583 -5.222 1.00 31.14 H new ATOM 0 HD1 TYR A 402 -0.864 3.840 -4.639 1.00 20.45 H new ATOM 0 HD2 TYR A 402 -2.377 1.000 -1.893 1.00 22.23 H new ATOM 0 HE1 TYR A 402 0.933 4.367 -3.099 1.00 64.51 H new ATOM 0 HE2 TYR A 402 -0.552 1.531 -0.350 1.00 71.20 H new ATOM 0 HH TYR A 402 1.761 2.451 -0.502 1.00 1.41 H new ATOM 696 N GLU A 403 -5.302 2.801 -6.496 1.00 64.32 N ATOM 697 CA GLU A 403 -6.598 2.393 -7.018 1.00 74.04 C ATOM 698 C GLU A 403 -6.460 1.652 -8.333 1.00 53.15 C ATOM 699 O GLU A 403 -5.351 1.496 -8.852 1.00 73.31 O ATOM 700 CB GLU A 403 -7.528 3.591 -7.196 1.00 73.53 C ATOM 701 CG GLU A 403 -7.005 4.664 -8.143 1.00 14.42 C ATOM 702 CD GLU A 403 -7.987 5.791 -8.350 1.00 21.14 C ATOM 703 OE1 GLU A 403 -8.055 6.693 -7.513 1.00 41.52 O ATOM 704 OE2 GLU A 403 -8.721 5.789 -9.362 1.00 61.00 O ATOM 0 H GLU A 403 -4.616 3.038 -7.213 1.00 64.32 H new ATOM 0 HA GLU A 403 -7.035 1.717 -6.284 1.00 74.04 H new ATOM 0 HB2 GLU A 403 -8.490 3.236 -7.566 1.00 73.53 H new ATOM 0 HB3 GLU A 403 -7.709 4.042 -6.220 1.00 73.53 H new ATOM 0 HG2 GLU A 403 -6.073 5.068 -7.747 1.00 14.42 H new ATOM 0 HG3 GLU A 403 -6.772 4.210 -9.106 1.00 14.42 H new ATOM 711 N ASN A 404 -7.589 1.170 -8.846 1.00 35.02 N ATOM 712 CA ASN A 404 -7.675 0.521 -10.167 1.00 33.21 C ATOM 713 C ASN A 404 -6.901 -0.773 -10.223 1.00 33.11 C ATOM 714 O ASN A 404 -6.383 -1.153 -11.278 1.00 50.24 O ATOM 715 CB ASN A 404 -7.215 1.472 -11.289 1.00 14.13 C ATOM 716 CG ASN A 404 -8.071 2.718 -11.416 1.00 22.15 C ATOM 717 OD1 ASN A 404 -9.337 2.611 -11.104 1.00 4.41 O flip ATOM 718 ND2 ASN A 404 -7.581 3.778 -11.810 1.00 62.14 N flip ATOM 0 H ASN A 404 -8.483 1.216 -8.357 1.00 35.02 H new ATOM 0 HA ASN A 404 -8.726 0.280 -10.325 1.00 33.21 H new ATOM 0 HB2 ASN A 404 -6.183 1.768 -11.103 1.00 14.13 H new ATOM 0 HB3 ASN A 404 -7.227 0.935 -12.237 1.00 14.13 H new ATOM 0 HD21 ASN A 404 -6.589 3.825 -12.045 1.00 62.14 H new ATOM 0 HD22 ASN A 404 -8.167 4.608 -11.901 1.00 62.14 H new ATOM 724 N GLY A 405 -6.858 -1.474 -9.106 1.00 23.30 N ATOM 725 CA GLY A 405 -6.208 -2.764 -9.064 1.00 53.04 C ATOM 726 C GLY A 405 -7.025 -3.848 -9.760 1.00 13.03 C ATOM 727 O GLY A 405 -7.780 -3.568 -10.690 1.00 43.31 O ATOM 0 H GLY A 405 -7.264 -1.171 -8.221 1.00 23.30 H new ATOM 0 HA2 GLY A 405 -5.229 -2.690 -9.537 1.00 53.04 H new ATOM 0 HA3 GLY A 405 -6.040 -3.050 -8.026 1.00 53.04 H new ATOM 731 N GLN A 406 -6.914 -5.063 -9.299 1.00 74.44 N ATOM 732 CA GLN A 406 -7.590 -6.167 -9.940 1.00 40.03 C ATOM 733 C GLN A 406 -9.088 -6.113 -9.636 1.00 71.43 C ATOM 734 O GLN A 406 -9.500 -5.779 -8.512 1.00 35.14 O ATOM 735 CB GLN A 406 -6.891 -7.523 -9.596 1.00 2.33 C ATOM 736 CG GLN A 406 -7.400 -8.763 -10.353 1.00 41.33 C ATOM 737 CD GLN A 406 -8.655 -9.389 -9.777 1.00 51.22 C ATOM 738 OE1 GLN A 406 -8.757 -9.417 -8.466 1.00 35.20 O flip ATOM 739 NE2 GLN A 406 -9.480 -9.924 -10.512 1.00 12.41 N flip ATOM 0 H GLN A 406 -6.362 -5.319 -8.480 1.00 74.44 H new ATOM 0 HA GLN A 406 -7.509 -6.082 -11.024 1.00 40.03 H new ATOM 0 HB2 GLN A 406 -5.824 -7.417 -9.791 1.00 2.33 H new ATOM 0 HB3 GLN A 406 -7.003 -7.704 -8.527 1.00 2.33 H new ATOM 0 HG2 GLN A 406 -7.592 -8.485 -11.389 1.00 41.33 H new ATOM 0 HG3 GLN A 406 -6.610 -9.513 -10.366 1.00 41.33 H new ATOM 0 HE21 GLN A 406 -9.365 -9.880 -11.525 1.00 12.41 H new ATOM 0 HE22 GLN A 406 -10.280 -10.413 -10.110 1.00 12.41 H new ATOM 747 N SER A 407 -9.870 -6.375 -10.655 1.00 53.32 N ATOM 748 CA SER A 407 -11.306 -6.285 -10.629 1.00 71.01 C ATOM 749 C SER A 407 -11.968 -7.216 -9.611 1.00 55.15 C ATOM 750 O SER A 407 -11.834 -8.434 -9.676 1.00 60.33 O ATOM 751 CB SER A 407 -11.830 -6.552 -12.034 1.00 22.03 C ATOM 752 OG SER A 407 -11.280 -7.765 -12.541 1.00 31.32 O ATOM 0 H SER A 407 -9.506 -6.669 -11.561 1.00 53.32 H new ATOM 0 HA SER A 407 -11.569 -5.279 -10.302 1.00 71.01 H new ATOM 0 HB2 SER A 407 -12.918 -6.616 -12.018 1.00 22.03 H new ATOM 0 HB3 SER A 407 -11.569 -5.723 -12.691 1.00 22.03 H new ATOM 0 HG SER A 407 -11.276 -8.443 -11.834 1.00 31.32 H new ATOM 826 N HIS A 413 -12.704 -2.105 -8.822 1.00 31.04 N ATOM 827 CA HIS A 413 -11.338 -2.603 -8.790 1.00 22.52 C ATOM 828 C HIS A 413 -10.867 -2.488 -7.360 1.00 2.41 C ATOM 829 O HIS A 413 -11.496 -1.780 -6.571 1.00 24.43 O ATOM 830 CB HIS A 413 -10.374 -1.753 -9.677 1.00 24.00 C ATOM 831 CG HIS A 413 -10.615 -1.799 -11.166 1.00 53.33 C ATOM 832 ND1 HIS A 413 -10.042 -2.737 -11.983 1.00 65.34 N ATOM 833 CD2 HIS A 413 -11.372 -1.019 -11.981 1.00 42.15 C ATOM 834 CE1 HIS A 413 -10.435 -2.546 -13.214 1.00 61.11 C ATOM 835 NE2 HIS A 413 -11.238 -1.511 -13.244 1.00 41.23 N ATOM 0 HA HIS A 413 -11.327 -3.625 -9.169 1.00 22.52 H new ATOM 0 HB2 HIS A 413 -10.438 -0.714 -9.353 1.00 24.00 H new ATOM 0 HB3 HIS A 413 -9.353 -2.084 -9.486 1.00 24.00 H new ATOM 0 HD1 HIS A 413 -9.405 -3.473 -11.677 1.00 65.34 H new ATOM 0 HD2 HIS A 413 -11.968 -0.169 -11.683 1.00 42.15 H new ATOM 0 HE1 HIS A 413 -10.146 -3.143 -14.066 1.00 61.11 H new ATOM 844 N ARG A 414 -9.803 -3.176 -7.011 1.00 64.03 N ATOM 845 CA ARG A 414 -9.228 -3.019 -5.698 1.00 3.31 C ATOM 846 C ARG A 414 -8.430 -1.746 -5.567 1.00 42.21 C ATOM 847 O ARG A 414 -7.989 -1.154 -6.569 1.00 31.14 O ATOM 848 CB ARG A 414 -8.420 -4.227 -5.242 1.00 33.21 C ATOM 849 CG ARG A 414 -9.264 -5.371 -4.720 1.00 34.14 C ATOM 850 CD ARG A 414 -8.403 -6.552 -4.335 1.00 30.40 C ATOM 851 NE ARG A 414 -9.180 -7.634 -3.725 1.00 20.33 N ATOM 852 CZ ARG A 414 -8.839 -8.928 -3.752 1.00 51.23 C ATOM 853 NH1 ARG A 414 -7.753 -9.319 -4.407 1.00 64.00 N ATOM 854 NH2 ARG A 414 -9.571 -9.821 -3.115 1.00 41.21 N ATOM 0 H ARG A 414 -9.323 -3.844 -7.614 1.00 64.03 H new ATOM 0 HA ARG A 414 -10.080 -2.944 -5.022 1.00 3.31 H new ATOM 0 HB2 ARG A 414 -7.818 -4.585 -6.077 1.00 33.21 H new ATOM 0 HB3 ARG A 414 -7.727 -3.914 -4.461 1.00 33.21 H new ATOM 0 HG2 ARG A 414 -9.838 -5.038 -3.855 1.00 34.14 H new ATOM 0 HG3 ARG A 414 -9.982 -5.674 -5.482 1.00 34.14 H new ATOM 0 HD2 ARG A 414 -7.892 -6.930 -5.221 1.00 30.40 H new ATOM 0 HD3 ARG A 414 -7.632 -6.224 -3.638 1.00 30.40 H new ATOM 0 HE ARG A 414 -10.044 -7.383 -3.245 1.00 20.33 H new ATOM 0 HH11 ARG A 414 -7.175 -8.633 -4.892 1.00 64.00 H new ATOM 0 HH12 ARG A 414 -7.496 -10.306 -4.425 1.00 64.00 H new ATOM 0 HH21 ARG A 414 -10.400 -9.527 -2.599 1.00 41.21 H new ATOM 0 HH22 ARG A 414 -9.308 -10.806 -3.138 1.00 41.21 H new ATOM 866 N SER A 415 -8.261 -1.326 -4.346 1.00 1.24 N ATOM 867 CA SER A 415 -7.571 -0.132 -4.025 1.00 2.02 C ATOM 868 C SER A 415 -7.140 -0.181 -2.556 1.00 24.05 C ATOM 869 O SER A 415 -7.656 -1.006 -1.786 1.00 55.34 O ATOM 870 CB SER A 415 -8.500 1.055 -4.285 1.00 4.34 C ATOM 871 OG SER A 415 -9.739 0.886 -3.599 1.00 12.24 O ATOM 0 H SER A 415 -8.614 -1.827 -3.530 1.00 1.24 H new ATOM 0 HA SER A 415 -6.679 -0.023 -4.642 1.00 2.02 H new ATOM 0 HB2 SER A 415 -8.020 1.977 -3.957 1.00 4.34 H new ATOM 0 HB3 SER A 415 -8.682 1.153 -5.355 1.00 4.34 H new ATOM 0 HG SER A 415 -10.319 1.656 -3.776 1.00 12.24 H new ATOM 877 N ALA A 416 -6.216 0.676 -2.170 1.00 24.33 N ATOM 878 CA ALA A 416 -5.724 0.710 -0.814 1.00 74.53 C ATOM 879 C ALA A 416 -5.059 2.039 -0.522 1.00 22.41 C ATOM 880 O ALA A 416 -4.437 2.638 -1.399 1.00 51.11 O ATOM 881 CB ALA A 416 -4.734 -0.426 -0.581 1.00 34.22 C ATOM 0 H ALA A 416 -5.788 1.365 -2.788 1.00 24.33 H new ATOM 0 HA ALA A 416 -6.572 0.586 -0.140 1.00 74.53 H new ATOM 0 HB1 ALA A 416 -4.371 -0.388 0.446 1.00 34.22 H new ATOM 0 HB2 ALA A 416 -5.229 -1.381 -0.756 1.00 34.22 H new ATOM 0 HB3 ALA A 416 -3.893 -0.322 -1.267 1.00 34.22 H new ATOM 887 N ILE A 417 -5.232 2.517 0.677 1.00 23.02 N ATOM 888 CA ILE A 417 -4.548 3.692 1.126 1.00 63.22 C ATOM 889 C ILE A 417 -3.412 3.274 2.057 1.00 21.22 C ATOM 890 O ILE A 417 -3.600 2.446 2.950 1.00 71.41 O ATOM 891 CB ILE A 417 -5.488 4.711 1.876 1.00 15.55 C ATOM 892 CG1 ILE A 417 -4.719 6.000 2.206 1.00 3.42 C ATOM 893 CG2 ILE A 417 -6.081 4.117 3.160 1.00 33.43 C ATOM 894 CD1 ILE A 417 -5.509 7.004 3.023 1.00 11.11 C ATOM 0 H ILE A 417 -5.853 2.101 1.371 1.00 23.02 H new ATOM 0 HA ILE A 417 -4.170 4.205 0.242 1.00 63.22 H new ATOM 0 HB ILE A 417 -6.316 4.938 1.205 1.00 15.55 H new ATOM 0 HG12 ILE A 417 -3.812 5.739 2.751 1.00 3.42 H new ATOM 0 HG13 ILE A 417 -4.407 6.472 1.274 1.00 3.42 H new ATOM 0 HG21 ILE A 417 -6.721 4.856 3.641 1.00 33.43 H new ATOM 0 HG22 ILE A 417 -6.669 3.233 2.914 1.00 33.43 H new ATOM 0 HG23 ILE A 417 -5.275 3.839 3.839 1.00 33.43 H new ATOM 0 HD11 ILE A 417 -4.894 7.884 3.212 1.00 11.11 H new ATOM 0 HD12 ILE A 417 -6.403 7.298 2.473 1.00 11.11 H new ATOM 0 HD13 ILE A 417 -5.799 6.553 3.972 1.00 11.11 H new ATOM 901 N VAL A 418 -2.263 3.800 1.828 1.00 42.31 N ATOM 902 CA VAL A 418 -1.143 3.574 2.693 1.00 52.41 C ATOM 903 C VAL A 418 -0.755 4.850 3.382 1.00 73.35 C ATOM 904 O VAL A 418 -0.550 5.884 2.740 1.00 22.51 O ATOM 905 CB VAL A 418 0.075 2.919 1.967 1.00 43.11 C ATOM 906 CG1 VAL A 418 1.360 3.201 2.696 1.00 32.42 C ATOM 907 CG2 VAL A 418 -0.096 1.418 1.917 1.00 32.42 C ATOM 0 H VAL A 418 -2.063 4.405 1.031 1.00 42.31 H new ATOM 0 HA VAL A 418 -1.459 2.849 3.443 1.00 52.41 H new ATOM 0 HB VAL A 418 0.117 3.342 0.963 1.00 43.11 H new ATOM 0 HG11 VAL A 418 2.189 2.732 2.166 1.00 32.42 H new ATOM 0 HG12 VAL A 418 1.522 4.278 2.744 1.00 32.42 H new ATOM 0 HG13 VAL A 418 1.301 2.798 3.707 1.00 32.42 H new ATOM 0 HG21 VAL A 418 0.759 0.971 1.409 1.00 32.42 H new ATOM 0 HG22 VAL A 418 -0.161 1.025 2.932 1.00 32.42 H new ATOM 0 HG23 VAL A 418 -1.009 1.174 1.374 1.00 32.42 H new ATOM 913 N THR A 419 -0.707 4.797 4.676 1.00 52.33 N ATOM 914 CA THR A 419 -0.286 5.918 5.436 1.00 40.25 C ATOM 915 C THR A 419 1.067 5.543 6.015 1.00 44.35 C ATOM 916 O THR A 419 1.165 4.601 6.809 1.00 30.23 O ATOM 917 CB THR A 419 -1.267 6.170 6.576 1.00 24.54 C ATOM 918 OG1 THR A 419 -2.585 5.794 6.126 1.00 61.03 O ATOM 919 CG2 THR A 419 -1.325 7.645 6.881 1.00 52.33 C ATOM 0 H THR A 419 -0.958 3.977 5.228 1.00 52.33 H new ATOM 0 HA THR A 419 -0.235 6.818 4.824 1.00 40.25 H new ATOM 0 HB THR A 419 -0.951 5.605 7.453 1.00 24.54 H new ATOM 0 HG1 THR A 419 -3.232 5.947 6.846 1.00 61.03 H new ATOM 0 HG21 THR A 419 -2.027 7.821 7.696 1.00 52.33 H new ATOM 0 HG22 THR A 419 -0.335 7.995 7.173 1.00 52.33 H new ATOM 0 HG23 THR A 419 -1.655 8.187 5.995 1.00 52.33 H new ATOM 925 N VAL A 420 2.096 6.222 5.605 1.00 62.41 N ATOM 926 CA VAL A 420 3.425 5.881 6.049 1.00 13.42 C ATOM 927 C VAL A 420 3.825 6.846 7.132 1.00 23.12 C ATOM 928 O VAL A 420 3.902 8.020 6.897 1.00 53.13 O ATOM 929 CB VAL A 420 4.454 5.980 4.889 1.00 24.12 C ATOM 930 CG1 VAL A 420 5.802 5.444 5.317 1.00 64.31 C ATOM 931 CG2 VAL A 420 3.965 5.263 3.648 1.00 0.33 C ATOM 0 H VAL A 420 2.047 7.015 4.965 1.00 62.41 H new ATOM 0 HA VAL A 420 3.418 4.854 6.414 1.00 13.42 H new ATOM 0 HB VAL A 420 4.565 7.035 4.640 1.00 24.12 H new ATOM 0 HG11 VAL A 420 6.505 5.524 4.488 1.00 64.31 H new ATOM 0 HG12 VAL A 420 6.172 6.023 6.164 1.00 64.31 H new ATOM 0 HG13 VAL A 420 5.702 4.398 5.608 1.00 64.31 H new ATOM 0 HG21 VAL A 420 4.710 5.354 2.858 1.00 0.33 H new ATOM 0 HG22 VAL A 420 3.804 4.209 3.876 1.00 0.33 H new ATOM 0 HG23 VAL A 420 3.028 5.709 3.315 1.00 0.33 H new ATOM 937 N GLU A 421 4.052 6.366 8.306 1.00 23.23 N ATOM 938 CA GLU A 421 4.420 7.241 9.390 1.00 23.51 C ATOM 939 C GLU A 421 5.890 7.075 9.711 1.00 51.34 C ATOM 940 O GLU A 421 6.586 6.297 9.069 1.00 65.52 O ATOM 941 CB GLU A 421 3.570 6.949 10.617 1.00 61.13 C ATOM 942 CG GLU A 421 2.083 7.016 10.350 1.00 10.10 C ATOM 943 CD GLU A 421 1.276 6.698 11.566 1.00 32.23 C ATOM 944 OE1 GLU A 421 1.405 5.591 12.086 1.00 72.13 O ATOM 945 OE2 GLU A 421 0.533 7.563 12.044 1.00 44.21 O ATOM 0 H GLU A 421 3.992 5.377 8.550 1.00 23.23 H new ATOM 0 HA GLU A 421 4.242 8.273 9.087 1.00 23.51 H new ATOM 0 HB2 GLU A 421 3.819 5.957 10.994 1.00 61.13 H new ATOM 0 HB3 GLU A 421 3.823 7.661 11.402 1.00 61.13 H new ATOM 0 HG2 GLU A 421 1.824 8.013 9.995 1.00 10.10 H new ATOM 0 HG3 GLU A 421 1.827 6.318 9.553 1.00 10.10 H new ATOM 952 N CYS A 422 6.343 7.798 10.687 1.00 14.02 N ATOM 953 CA CYS A 422 7.722 7.772 11.123 1.00 2.41 C ATOM 954 C CYS A 422 8.109 6.382 11.590 1.00 63.41 C ATOM 955 O CYS A 422 7.406 5.762 12.388 1.00 33.44 O ATOM 956 CB CYS A 422 7.904 8.786 12.256 1.00 23.54 C ATOM 957 SG CYS A 422 9.569 8.820 13.045 1.00 42.14 S ATOM 0 H CYS A 422 5.758 8.441 11.221 1.00 14.02 H new ATOM 0 HA CYS A 422 8.370 8.037 10.288 1.00 2.41 H new ATOM 0 HB2 CYS A 422 7.688 9.781 11.866 1.00 23.54 H new ATOM 0 HB3 CYS A 422 7.162 8.578 13.027 1.00 23.54 H new ATOM 0 HG CYS A 422 9.587 9.720 13.982 1.00 42.14 H new ATOM 962 N GLY A 423 9.192 5.889 11.076 1.00 75.11 N ATOM 963 CA GLY A 423 9.660 4.587 11.466 1.00 31.43 C ATOM 964 C GLY A 423 11.132 4.478 11.303 1.00 53.54 C ATOM 965 O GLY A 423 11.784 5.449 10.930 1.00 34.00 O ATOM 0 H GLY A 423 9.772 6.365 10.385 1.00 75.11 H new ATOM 0 HA2 GLY A 423 9.391 4.396 12.505 1.00 31.43 H new ATOM 0 HA3 GLY A 423 9.167 3.824 10.864 1.00 31.43 H new ATOM 969 N VAL A 424 11.666 3.324 11.576 1.00 11.31 N ATOM 970 CA VAL A 424 13.089 3.095 11.430 1.00 75.53 C ATOM 971 C VAL A 424 13.373 2.574 10.020 1.00 4.22 C ATOM 972 O VAL A 424 14.414 2.840 9.439 1.00 11.11 O ATOM 973 CB VAL A 424 13.603 2.070 12.487 1.00 52.01 C ATOM 974 CG1 VAL A 424 15.109 1.856 12.372 1.00 3.42 C ATOM 975 CG2 VAL A 424 13.236 2.525 13.896 1.00 44.21 C ATOM 0 H VAL A 424 11.139 2.515 11.904 1.00 11.31 H new ATOM 0 HA VAL A 424 13.613 4.037 11.591 1.00 75.53 H new ATOM 0 HB VAL A 424 13.115 1.116 12.287 1.00 52.01 H new ATOM 0 HG11 VAL A 424 15.433 1.136 13.124 1.00 3.42 H new ATOM 0 HG12 VAL A 424 15.348 1.476 11.379 1.00 3.42 H new ATOM 0 HG13 VAL A 424 15.624 2.803 12.531 1.00 3.42 H new ATOM 0 HG21 VAL A 424 13.603 1.798 14.620 1.00 44.21 H new ATOM 0 HG22 VAL A 424 13.690 3.496 14.095 1.00 44.21 H new ATOM 0 HG23 VAL A 424 12.152 2.607 13.981 1.00 44.21 H new ATOM 981 N GLU A 425 12.410 1.876 9.476 1.00 70.32 N ATOM 982 CA GLU A 425 12.521 1.266 8.172 1.00 74.11 C ATOM 983 C GLU A 425 11.159 1.179 7.550 1.00 60.14 C ATOM 984 O GLU A 425 10.147 1.120 8.261 1.00 71.12 O ATOM 985 CB GLU A 425 13.106 -0.138 8.326 1.00 23.30 C ATOM 986 CG GLU A 425 13.270 -0.916 7.037 1.00 35.12 C ATOM 987 CD GLU A 425 13.783 -2.314 7.277 1.00 63.31 C ATOM 988 OE1 GLU A 425 12.968 -3.216 7.559 1.00 24.12 O ATOM 989 OE2 GLU A 425 15.005 -2.535 7.201 1.00 1.22 O ATOM 0 H GLU A 425 11.512 1.712 9.932 1.00 70.32 H new ATOM 0 HA GLU A 425 13.172 1.865 7.535 1.00 74.11 H new ATOM 0 HB2 GLU A 425 14.080 -0.057 8.809 1.00 23.30 H new ATOM 0 HB3 GLU A 425 12.464 -0.709 8.997 1.00 23.30 H new ATOM 0 HG2 GLU A 425 12.312 -0.966 6.520 1.00 35.12 H new ATOM 0 HG3 GLU A 425 13.959 -0.386 6.380 1.00 35.12 H new ATOM 996 N ASN A 426 11.137 1.217 6.240 1.00 73.22 N ATOM 997 CA ASN A 426 9.933 1.035 5.465 1.00 4.23 C ATOM 998 C ASN A 426 9.385 -0.385 5.635 1.00 24.25 C ATOM 999 O ASN A 426 9.889 -1.344 5.057 1.00 22.32 O ATOM 1000 CB ASN A 426 10.159 1.416 3.980 1.00 40.53 C ATOM 1001 CG ASN A 426 11.500 0.943 3.433 1.00 11.30 C ATOM 1002 OD1 ASN A 426 12.472 1.689 3.456 1.00 74.33 O ATOM 1003 ND2 ASN A 426 11.580 -0.272 3.022 1.00 40.22 N ATOM 0 H ASN A 426 11.969 1.378 5.672 1.00 73.22 H new ATOM 0 HA ASN A 426 9.171 1.715 5.845 1.00 4.23 H new ATOM 0 HB2 ASN A 426 9.358 0.989 3.377 1.00 40.53 H new ATOM 0 HB3 ASN A 426 10.094 2.499 3.876 1.00 40.53 H new ATOM 0 HD21 ASN A 426 12.474 -0.644 2.701 1.00 40.22 H new ATOM 0 HD22 ASN A 426 10.750 -0.864 3.017 1.00 40.22 H new ATOM 1009 N GLU A 427 8.391 -0.491 6.475 1.00 75.33 N ATOM 1010 CA GLU A 427 7.773 -1.755 6.845 1.00 44.12 C ATOM 1011 C GLU A 427 6.255 -1.647 6.753 1.00 23.42 C ATOM 1012 O GLU A 427 5.697 -0.554 6.958 1.00 41.32 O ATOM 1013 CB GLU A 427 8.189 -2.117 8.287 1.00 33.04 C ATOM 1014 CG GLU A 427 7.528 -3.368 8.844 1.00 3.44 C ATOM 1015 CD GLU A 427 7.877 -4.613 8.084 1.00 51.33 C ATOM 1016 OE1 GLU A 427 7.387 -4.787 6.966 1.00 31.01 O ATOM 1017 OE2 GLU A 427 8.656 -5.430 8.600 1.00 70.42 O ATOM 0 H GLU A 427 7.971 0.315 6.938 1.00 75.33 H new ATOM 0 HA GLU A 427 8.106 -2.535 6.160 1.00 44.12 H new ATOM 0 HB2 GLU A 427 9.270 -2.250 8.316 1.00 33.04 H new ATOM 0 HB3 GLU A 427 7.954 -1.277 8.940 1.00 33.04 H new ATOM 0 HG2 GLU A 427 7.822 -3.493 9.886 1.00 3.44 H new ATOM 0 HG3 GLU A 427 6.446 -3.235 8.832 1.00 3.44 H new ATOM 1024 N ILE A 428 5.594 -2.761 6.436 1.00 41.12 N ATOM 1025 CA ILE A 428 4.157 -2.805 6.383 1.00 0.23 C ATOM 1026 C ILE A 428 3.689 -3.117 7.793 1.00 40.00 C ATOM 1027 O ILE A 428 4.082 -4.136 8.378 1.00 74.44 O ATOM 1028 CB ILE A 428 3.632 -3.939 5.460 1.00 51.40 C ATOM 1029 CG1 ILE A 428 4.296 -3.905 4.069 1.00 45.53 C ATOM 1030 CG2 ILE A 428 2.118 -3.788 5.305 1.00 22.12 C ATOM 1031 CD1 ILE A 428 3.986 -2.670 3.266 1.00 43.33 C ATOM 0 H ILE A 428 6.049 -3.646 6.212 1.00 41.12 H new ATOM 0 HA ILE A 428 3.787 -1.856 5.994 1.00 0.23 H new ATOM 0 HB ILE A 428 3.881 -4.895 5.920 1.00 51.40 H new ATOM 0 HG12 ILE A 428 5.376 -3.982 4.193 1.00 45.53 H new ATOM 0 HG13 ILE A 428 3.976 -4.781 3.505 1.00 45.53 H new ATOM 0 HG21 ILE A 428 1.738 -4.579 4.659 1.00 22.12 H new ATOM 0 HG22 ILE A 428 1.643 -3.859 6.284 1.00 22.12 H new ATOM 0 HG23 ILE A 428 1.893 -2.818 4.862 1.00 22.12 H new ATOM 0 HD11 ILE A 428 4.492 -2.726 2.302 1.00 43.33 H new ATOM 0 HD12 ILE A 428 2.910 -2.600 3.108 1.00 43.33 H new ATOM 0 HD13 ILE A 428 4.332 -1.789 3.806 1.00 43.33 H new ATOM 1038 N VAL A 429 2.890 -2.263 8.335 1.00 11.13 N ATOM 1039 CA VAL A 429 2.414 -2.418 9.688 1.00 4.14 C ATOM 1040 C VAL A 429 1.200 -3.327 9.754 1.00 23.01 C ATOM 1041 O VAL A 429 1.172 -4.285 10.531 1.00 61.52 O ATOM 1042 CB VAL A 429 2.070 -1.033 10.300 1.00 22.04 C ATOM 1043 CG1 VAL A 429 1.375 -1.163 11.633 1.00 74.04 C ATOM 1044 CG2 VAL A 429 3.323 -0.200 10.440 1.00 73.41 C ATOM 0 H VAL A 429 2.541 -1.431 7.860 1.00 11.13 H new ATOM 0 HA VAL A 429 3.213 -2.881 10.266 1.00 4.14 H new ATOM 0 HB VAL A 429 1.380 -0.534 9.620 1.00 22.04 H new ATOM 0 HG11 VAL A 429 1.153 -0.171 12.026 1.00 74.04 H new ATOM 0 HG12 VAL A 429 0.446 -1.720 11.506 1.00 74.04 H new ATOM 0 HG13 VAL A 429 2.023 -1.693 12.331 1.00 74.04 H new ATOM 0 HG21 VAL A 429 3.070 0.769 10.870 1.00 73.41 H new ATOM 0 HG22 VAL A 429 4.030 -0.713 11.092 1.00 73.41 H new ATOM 0 HG23 VAL A 429 3.775 -0.054 9.459 1.00 73.41 H new ATOM 1050 N SER A 430 0.221 -3.049 8.928 1.00 54.21 N ATOM 1051 CA SER A 430 -1.037 -3.758 8.947 1.00 3.31 C ATOM 1052 C SER A 430 -1.792 -3.456 7.684 1.00 72.44 C ATOM 1053 O SER A 430 -1.471 -2.494 6.981 1.00 3.01 O ATOM 1054 CB SER A 430 -1.906 -3.316 10.152 1.00 3.42 C ATOM 1055 OG SER A 430 -1.261 -3.554 11.391 1.00 63.41 O ATOM 0 H SER A 430 0.274 -2.319 8.218 1.00 54.21 H new ATOM 0 HA SER A 430 -0.827 -4.824 9.031 1.00 3.31 H new ATOM 0 HB2 SER A 430 -2.136 -2.254 10.062 1.00 3.42 H new ATOM 0 HB3 SER A 430 -2.855 -3.851 10.129 1.00 3.42 H new ATOM 0 HG SER A 430 -0.478 -4.126 11.248 1.00 63.41 H new ATOM 1061 N VAL A 431 -2.777 -4.256 7.416 1.00 1.05 N ATOM 1062 CA VAL A 431 -3.653 -4.092 6.306 1.00 61.01 C ATOM 1063 C VAL A 431 -5.029 -4.460 6.768 1.00 10.24 C ATOM 1064 O VAL A 431 -5.241 -5.534 7.345 1.00 51.05 O ATOM 1065 CB VAL A 431 -3.226 -4.907 5.037 1.00 53.03 C ATOM 1066 CG1 VAL A 431 -2.988 -6.351 5.358 1.00 54.43 C ATOM 1067 CG2 VAL A 431 -4.276 -4.800 3.944 1.00 73.02 C ATOM 0 H VAL A 431 -2.998 -5.071 7.988 1.00 1.05 H new ATOM 0 HA VAL A 431 -3.616 -3.053 5.977 1.00 61.01 H new ATOM 0 HB VAL A 431 -2.291 -4.473 4.683 1.00 53.03 H new ATOM 0 HG11 VAL A 431 -2.694 -6.881 4.452 1.00 54.43 H new ATOM 0 HG12 VAL A 431 -2.194 -6.433 6.100 1.00 54.43 H new ATOM 0 HG13 VAL A 431 -3.903 -6.791 5.755 1.00 54.43 H new ATOM 0 HG21 VAL A 431 -3.956 -5.374 3.074 1.00 73.02 H new ATOM 0 HG22 VAL A 431 -5.224 -5.194 4.310 1.00 73.02 H new ATOM 0 HG23 VAL A 431 -4.402 -3.755 3.662 1.00 73.02 H new ATOM 1073 N LEU A 432 -5.926 -3.572 6.583 1.00 71.20 N ATOM 1074 CA LEU A 432 -7.252 -3.746 7.041 1.00 22.51 C ATOM 1075 C LEU A 432 -8.193 -3.412 5.922 1.00 33.14 C ATOM 1076 O LEU A 432 -7.970 -2.451 5.202 1.00 3.13 O ATOM 1077 CB LEU A 432 -7.481 -2.828 8.234 1.00 13.42 C ATOM 1078 CG LEU A 432 -8.808 -2.960 8.948 1.00 4.42 C ATOM 1079 CD1 LEU A 432 -8.965 -4.365 9.480 1.00 3.30 C ATOM 1080 CD2 LEU A 432 -8.886 -1.956 10.075 1.00 10.33 C ATOM 0 H LEU A 432 -5.760 -2.688 6.102 1.00 71.20 H new ATOM 0 HA LEU A 432 -7.426 -4.776 7.352 1.00 22.51 H new ATOM 0 HB2 LEU A 432 -6.686 -3.006 8.958 1.00 13.42 H new ATOM 0 HB3 LEU A 432 -7.378 -1.797 7.895 1.00 13.42 H new ATOM 0 HG LEU A 432 -9.617 -2.760 8.246 1.00 4.42 H new ATOM 0 HD11 LEU A 432 -9.922 -4.455 9.993 1.00 3.30 H new ATOM 0 HD12 LEU A 432 -8.929 -5.074 8.652 1.00 3.30 H new ATOM 0 HD13 LEU A 432 -8.157 -4.582 10.179 1.00 3.30 H new ATOM 0 HD21 LEU A 432 -9.844 -2.056 10.586 1.00 10.33 H new ATOM 0 HD22 LEU A 432 -8.077 -2.139 10.782 1.00 10.33 H new ATOM 0 HD23 LEU A 432 -8.793 -0.948 9.671 1.00 10.33 H new ATOM 1088 N GLU A 433 -9.211 -4.196 5.740 1.00 3.24 N ATOM 1089 CA GLU A 433 -10.143 -3.931 4.690 1.00 61.55 C ATOM 1090 C GLU A 433 -11.121 -2.873 5.171 1.00 10.30 C ATOM 1091 O GLU A 433 -11.817 -3.057 6.176 1.00 13.51 O ATOM 1092 CB GLU A 433 -10.864 -5.211 4.279 1.00 10.33 C ATOM 1093 CG GLU A 433 -11.751 -5.054 3.063 1.00 1.31 C ATOM 1094 CD GLU A 433 -12.397 -6.351 2.664 1.00 12.14 C ATOM 1095 OE1 GLU A 433 -11.790 -7.116 1.891 1.00 43.32 O ATOM 1096 OE2 GLU A 433 -13.515 -6.631 3.124 1.00 61.32 O ATOM 0 H GLU A 433 -9.416 -5.021 6.303 1.00 3.24 H new ATOM 0 HA GLU A 433 -9.620 -3.561 3.808 1.00 61.55 H new ATOM 0 HB2 GLU A 433 -10.123 -5.985 4.078 1.00 10.33 H new ATOM 0 HB3 GLU A 433 -11.470 -5.559 5.116 1.00 10.33 H new ATOM 0 HG2 GLU A 433 -12.523 -4.314 3.271 1.00 1.31 H new ATOM 0 HG3 GLU A 433 -11.160 -4.672 2.230 1.00 1.31 H new ATOM 1103 N ALA A 434 -11.131 -1.757 4.474 1.00 4.24 N ATOM 1104 CA ALA A 434 -11.955 -0.623 4.825 1.00 22.41 C ATOM 1105 C ALA A 434 -13.396 -0.887 4.484 1.00 54.12 C ATOM 1106 O ALA A 434 -14.265 -0.824 5.331 1.00 64.13 O ATOM 1107 CB ALA A 434 -11.461 0.629 4.104 1.00 35.35 C ATOM 0 H ALA A 434 -10.562 -1.611 3.640 1.00 4.24 H new ATOM 0 HA ALA A 434 -11.882 -0.463 5.901 1.00 22.41 H new ATOM 0 HB1 ALA A 434 -12.089 1.477 4.376 1.00 35.35 H new ATOM 0 HB2 ALA A 434 -10.430 0.833 4.394 1.00 35.35 H new ATOM 0 HB3 ALA A 434 -11.510 0.472 3.027 1.00 35.35 H new ATOM 1113 N GLN A 435 -13.636 -1.198 3.240 1.00 74.14 N ATOM 1114 CA GLN A 435 -14.976 -1.451 2.787 1.00 14.40 C ATOM 1115 C GLN A 435 -15.099 -2.863 2.246 1.00 44.44 C ATOM 1116 O GLN A 435 -15.741 -3.709 2.857 1.00 13.22 O ATOM 1117 CB GLN A 435 -15.400 -0.407 1.755 1.00 11.44 C ATOM 1118 CG GLN A 435 -15.454 1.008 2.308 1.00 12.53 C ATOM 1119 CD GLN A 435 -15.876 2.022 1.276 1.00 41.35 C ATOM 1120 OE1 GLN A 435 -17.065 2.288 1.099 1.00 34.05 O ATOM 1121 NE2 GLN A 435 -14.921 2.620 0.620 1.00 12.10 N ATOM 0 H GLN A 435 -12.919 -1.283 2.520 1.00 74.14 H new ATOM 0 HA GLN A 435 -15.655 -1.366 3.635 1.00 14.40 H new ATOM 0 HB2 GLN A 435 -14.704 -0.434 0.916 1.00 11.44 H new ATOM 0 HB3 GLN A 435 -16.382 -0.673 1.364 1.00 11.44 H new ATOM 0 HG2 GLN A 435 -16.149 1.039 3.147 1.00 12.53 H new ATOM 0 HG3 GLN A 435 -14.473 1.279 2.697 1.00 12.53 H new ATOM 0 HE21 GLN A 435 -13.948 2.371 0.796 1.00 12.10 H new ATOM 0 HE22 GLN A 435 -15.147 3.337 -0.069 1.00 12.10 H new ATOM 1129 N LYS A 436 -14.507 -3.106 1.087 1.00 71.20 N ATOM 1130 CA LYS A 436 -14.464 -4.443 0.494 1.00 3.22 C ATOM 1131 C LYS A 436 -13.386 -4.534 -0.580 1.00 60.44 C ATOM 1132 O LYS A 436 -12.650 -5.497 -0.656 1.00 3.12 O ATOM 1133 CB LYS A 436 -15.842 -4.936 -0.043 1.00 64.42 C ATOM 1134 CG LYS A 436 -16.538 -4.044 -1.090 1.00 21.33 C ATOM 1135 CD LYS A 436 -17.195 -2.773 -0.506 1.00 74.15 C ATOM 1136 CE LYS A 436 -18.519 -3.043 0.268 1.00 44.33 C ATOM 1137 NZ LYS A 436 -18.378 -3.916 1.472 1.00 13.32 N ATOM 0 H LYS A 436 -14.043 -2.389 0.529 1.00 71.20 H new ATOM 0 HA LYS A 436 -14.204 -5.122 1.306 1.00 3.22 H new ATOM 0 HB2 LYS A 436 -15.703 -5.926 -0.478 1.00 64.42 H new ATOM 0 HB3 LYS A 436 -16.516 -5.053 0.806 1.00 64.42 H new ATOM 0 HG2 LYS A 436 -15.807 -3.748 -1.842 1.00 21.33 H new ATOM 0 HG3 LYS A 436 -17.301 -4.631 -1.601 1.00 21.33 H new ATOM 0 HD2 LYS A 436 -16.487 -2.286 0.165 1.00 74.15 H new ATOM 0 HD3 LYS A 436 -17.397 -2.075 -1.318 1.00 74.15 H new ATOM 0 HE2 LYS A 436 -18.943 -2.088 0.578 1.00 44.33 H new ATOM 0 HE3 LYS A 436 -19.234 -3.503 -0.414 1.00 44.33 H new ATOM 0 HZ1 LYS A 436 -19.167 -3.737 2.125 1.00 13.32 H new ATOM 0 HZ2 LYS A 436 -18.390 -4.914 1.180 1.00 13.32 H new ATOM 0 HZ3 LYS A 436 -17.479 -3.706 1.950 1.00 13.32 H new ATOM 1151 N CYS A 437 -13.291 -3.520 -1.383 1.00 54.31 N ATOM 1152 CA CYS A 437 -12.295 -3.461 -2.432 1.00 13.41 C ATOM 1153 C CYS A 437 -11.299 -2.377 -2.133 1.00 62.12 C ATOM 1154 O CYS A 437 -10.493 -2.004 -2.962 1.00 15.32 O ATOM 1155 CB CYS A 437 -12.966 -3.208 -3.771 1.00 42.24 C ATOM 1156 SG CYS A 437 -14.021 -4.583 -4.342 1.00 14.14 S ATOM 0 H CYS A 437 -13.899 -2.702 -1.337 1.00 54.31 H new ATOM 0 HA CYS A 437 -11.770 -4.415 -2.479 1.00 13.41 H new ATOM 0 HB2 CYS A 437 -13.572 -2.305 -3.698 1.00 42.24 H new ATOM 0 HB3 CYS A 437 -12.198 -3.017 -4.521 1.00 42.24 H new ATOM 0 HG CYS A 437 -14.551 -4.276 -5.488 1.00 14.14 H new ATOM 1161 N GLU A 438 -11.343 -1.911 -0.933 1.00 4.32 N ATOM 1162 CA GLU A 438 -10.511 -0.841 -0.495 1.00 12.53 C ATOM 1163 C GLU A 438 -9.945 -1.186 0.854 1.00 54.32 C ATOM 1164 O GLU A 438 -10.684 -1.629 1.743 1.00 62.30 O ATOM 1165 CB GLU A 438 -11.342 0.411 -0.439 1.00 45.34 C ATOM 1166 CG GLU A 438 -10.659 1.630 0.131 1.00 62.33 C ATOM 1167 CD GLU A 438 -11.587 2.802 0.204 1.00 12.30 C ATOM 1168 OE1 GLU A 438 -11.914 3.381 -0.841 1.00 51.30 O ATOM 1169 OE2 GLU A 438 -12.027 3.149 1.307 1.00 60.24 O ATOM 0 H GLU A 438 -11.971 -2.269 -0.213 1.00 4.32 H new ATOM 0 HA GLU A 438 -9.680 -0.679 -1.181 1.00 12.53 H new ATOM 0 HB2 GLU A 438 -11.679 0.646 -1.449 1.00 45.34 H new ATOM 0 HB3 GLU A 438 -12.233 0.206 0.155 1.00 45.34 H new ATOM 0 HG2 GLU A 438 -10.281 1.403 1.128 1.00 62.33 H new ATOM 0 HG3 GLU A 438 -9.797 1.886 -0.486 1.00 62.33 H new ATOM 1176 N TYR A 439 -8.661 -1.026 0.998 1.00 53.32 N ATOM 1177 CA TYR A 439 -7.968 -1.389 2.215 1.00 3.23 C ATOM 1178 C TYR A 439 -7.212 -0.205 2.793 1.00 63.25 C ATOM 1179 O TYR A 439 -6.807 0.695 2.065 1.00 54.03 O ATOM 1180 CB TYR A 439 -6.977 -2.525 1.909 1.00 12.03 C ATOM 1181 CG TYR A 439 -7.630 -3.704 1.238 1.00 1.25 C ATOM 1182 CD1 TYR A 439 -7.745 -3.759 -0.143 1.00 41.43 C ATOM 1183 CD2 TYR A 439 -8.157 -4.736 1.975 1.00 74.52 C ATOM 1184 CE1 TYR A 439 -8.368 -4.806 -0.761 1.00 71.44 C ATOM 1185 CE2 TYR A 439 -8.776 -5.796 1.364 1.00 70.21 C ATOM 1186 CZ TYR A 439 -8.883 -5.828 -0.001 1.00 3.54 C ATOM 1187 OH TYR A 439 -9.512 -6.885 -0.608 1.00 64.50 O ATOM 0 H TYR A 439 -8.056 -0.638 0.274 1.00 53.32 H new ATOM 0 HA TYR A 439 -8.706 -1.714 2.949 1.00 3.23 H new ATOM 0 HB2 TYR A 439 -6.181 -2.144 1.270 1.00 12.03 H new ATOM 0 HB3 TYR A 439 -6.510 -2.854 2.838 1.00 12.03 H new ATOM 0 HD1 TYR A 439 -7.334 -2.959 -0.741 1.00 41.43 H new ATOM 0 HD2 TYR A 439 -8.083 -4.712 3.052 1.00 74.52 H new ATOM 0 HE1 TYR A 439 -8.455 -4.830 -1.837 1.00 71.44 H new ATOM 0 HE2 TYR A 439 -9.178 -6.604 1.958 1.00 70.21 H new ATOM 0 HH TYR A 439 -9.816 -7.520 0.074 1.00 64.50 H new ATOM 1197 N LEU A 440 -7.060 -0.195 4.093 1.00 4.14 N ATOM 1198 CA LEU A 440 -6.242 0.781 4.759 1.00 64.53 C ATOM 1199 C LEU A 440 -5.015 0.083 5.308 1.00 23.45 C ATOM 1200 O LEU A 440 -5.115 -0.849 6.125 1.00 33.24 O ATOM 1201 CB LEU A 440 -6.974 1.608 5.868 1.00 50.05 C ATOM 1202 CG LEU A 440 -7.612 0.862 7.063 1.00 25.42 C ATOM 1203 CD1 LEU A 440 -7.920 1.849 8.175 1.00 53.21 C ATOM 1204 CD2 LEU A 440 -8.911 0.198 6.652 1.00 52.23 C ATOM 0 H LEU A 440 -7.503 -0.867 4.720 1.00 4.14 H new ATOM 0 HA LEU A 440 -5.965 1.529 4.016 1.00 64.53 H new ATOM 0 HB2 LEU A 440 -6.257 2.323 6.272 1.00 50.05 H new ATOM 0 HB3 LEU A 440 -7.761 2.185 5.382 1.00 50.05 H new ATOM 0 HG LEU A 440 -6.906 0.105 7.403 1.00 25.42 H new ATOM 0 HD11 LEU A 440 -8.370 1.321 9.016 1.00 53.21 H new ATOM 0 HD12 LEU A 440 -6.998 2.330 8.500 1.00 53.21 H new ATOM 0 HD13 LEU A 440 -8.614 2.605 7.808 1.00 53.21 H new ATOM 0 HD21 LEU A 440 -9.342 -0.321 7.509 1.00 52.23 H new ATOM 0 HD22 LEU A 440 -9.610 0.955 6.297 1.00 52.23 H new ATOM 0 HD23 LEU A 440 -8.717 -0.519 5.854 1.00 52.23 H new ATOM 1212 N ILE A 441 -3.888 0.489 4.827 1.00 13.24 N ATOM 1213 CA ILE A 441 -2.624 -0.091 5.182 1.00 62.42 C ATOM 1214 C ILE A 441 -1.746 0.971 5.822 1.00 12.21 C ATOM 1215 O ILE A 441 -1.648 2.097 5.320 1.00 63.44 O ATOM 1216 CB ILE A 441 -1.940 -0.653 3.905 1.00 44.10 C ATOM 1217 CG1 ILE A 441 -2.784 -1.783 3.310 1.00 22.23 C ATOM 1218 CG2 ILE A 441 -0.518 -1.141 4.195 1.00 33.42 C ATOM 1219 CD1 ILE A 441 -2.393 -2.202 1.913 1.00 14.35 C ATOM 0 H ILE A 441 -3.812 1.254 4.157 1.00 13.24 H new ATOM 0 HA ILE A 441 -2.775 -0.904 5.892 1.00 62.42 H new ATOM 0 HB ILE A 441 -1.867 0.157 3.180 1.00 44.10 H new ATOM 0 HG12 ILE A 441 -2.717 -2.651 3.966 1.00 22.23 H new ATOM 0 HG13 ILE A 441 -3.828 -1.471 3.301 1.00 22.23 H new ATOM 0 HG21 ILE A 441 -0.072 -1.527 3.278 1.00 33.42 H new ATOM 0 HG22 ILE A 441 0.082 -0.312 4.569 1.00 33.42 H new ATOM 0 HG23 ILE A 441 -0.551 -1.932 4.944 1.00 33.42 H new ATOM 0 HD11 ILE A 441 -3.047 -3.007 1.578 1.00 14.35 H new ATOM 0 HD12 ILE A 441 -2.489 -1.352 1.238 1.00 14.35 H new ATOM 0 HD13 ILE A 441 -1.360 -2.550 1.913 1.00 14.35 H new ATOM 1226 N LYS A 442 -1.134 0.644 6.923 1.00 33.01 N ATOM 1227 CA LYS A 442 -0.274 1.570 7.572 1.00 41.04 C ATOM 1228 C LYS A 442 1.153 1.084 7.467 1.00 2.34 C ATOM 1229 O LYS A 442 1.405 -0.118 7.516 1.00 2.43 O ATOM 1230 CB LYS A 442 -0.720 1.805 9.014 1.00 55.11 C ATOM 1231 CG LYS A 442 0.098 2.841 9.771 1.00 32.41 C ATOM 1232 CD LYS A 442 -0.570 3.212 11.081 1.00 43.52 C ATOM 1233 CE LYS A 442 -0.722 2.029 12.020 1.00 43.11 C ATOM 1234 NZ LYS A 442 -1.447 2.403 13.250 1.00 30.42 N ATOM 0 H LYS A 442 -1.220 -0.261 7.385 1.00 33.01 H new ATOM 0 HA LYS A 442 -0.330 2.540 7.078 1.00 41.04 H new ATOM 0 HB2 LYS A 442 -1.764 2.118 9.011 1.00 55.11 H new ATOM 0 HB3 LYS A 442 -0.672 0.859 9.554 1.00 55.11 H new ATOM 0 HG2 LYS A 442 1.096 2.449 9.966 1.00 32.41 H new ATOM 0 HG3 LYS A 442 0.220 3.733 9.156 1.00 32.41 H new ATOM 0 HD2 LYS A 442 0.014 3.989 11.574 1.00 43.52 H new ATOM 0 HD3 LYS A 442 -1.553 3.635 10.875 1.00 43.52 H new ATOM 0 HE2 LYS A 442 -1.256 1.226 11.512 1.00 43.11 H new ATOM 0 HE3 LYS A 442 0.263 1.641 12.281 1.00 43.11 H new ATOM 0 HZ1 LYS A 442 -1.533 1.572 13.869 1.00 30.42 H new ATOM 0 HZ2 LYS A 442 -0.924 3.152 13.747 1.00 30.42 H new ATOM 0 HZ3 LYS A 442 -2.396 2.749 13.002 1.00 30.42 H new ATOM 1248 N MET A 443 2.062 1.995 7.265 1.00 71.55 N ATOM 1249 CA MET A 443 3.456 1.691 7.107 1.00 61.12 C ATOM 1250 C MET A 443 4.260 2.658 7.893 1.00 23.50 C ATOM 1251 O MET A 443 3.727 3.645 8.403 1.00 51.43 O ATOM 1252 CB MET A 443 3.906 1.779 5.648 1.00 63.25 C ATOM 1253 CG MET A 443 3.299 0.768 4.709 1.00 42.43 C ATOM 1254 SD MET A 443 4.034 0.853 3.062 1.00 2.40 S ATOM 1255 CE MET A 443 5.757 0.505 3.456 1.00 51.01 C ATOM 0 H MET A 443 1.850 2.991 7.204 1.00 71.55 H new ATOM 0 HA MET A 443 3.605 0.669 7.455 1.00 61.12 H new ATOM 0 HB2 MET A 443 3.674 2.777 5.276 1.00 63.25 H new ATOM 0 HB3 MET A 443 4.990 1.671 5.615 1.00 63.25 H new ATOM 0 HG2 MET A 443 3.436 -0.234 5.116 1.00 42.43 H new ATOM 0 HG3 MET A 443 2.225 0.939 4.637 1.00 42.43 H new ATOM 0 HE1 MET A 443 6.258 0.104 2.575 1.00 51.01 H new ATOM 0 HE2 MET A 443 6.252 1.425 3.768 1.00 51.01 H new ATOM 0 HE3 MET A 443 5.805 -0.225 4.264 1.00 51.01 H new ATOM 1265 N LYS A 444 5.518 2.382 8.024 1.00 70.11 N ATOM 1266 CA LYS A 444 6.415 3.287 8.683 1.00 3.42 C ATOM 1267 C LYS A 444 7.625 3.445 7.822 1.00 31.50 C ATOM 1268 O LYS A 444 7.891 2.604 6.964 1.00 21.31 O ATOM 1269 CB LYS A 444 6.850 2.760 10.029 1.00 74.13 C ATOM 1270 CG LYS A 444 5.737 2.364 10.921 1.00 33.21 C ATOM 1271 CD LYS A 444 5.102 3.549 11.558 1.00 54.15 C ATOM 1272 CE LYS A 444 3.922 3.086 12.326 1.00 54.21 C ATOM 1273 NZ LYS A 444 3.273 4.125 13.143 1.00 1.11 N ATOM 0 H LYS A 444 5.955 1.527 7.680 1.00 70.11 H new ATOM 0 HA LYS A 444 5.902 4.236 8.840 1.00 3.42 H new ATOM 0 HB2 LYS A 444 7.500 1.899 9.875 1.00 74.13 H new ATOM 0 HB3 LYS A 444 7.446 3.524 10.529 1.00 74.13 H new ATOM 0 HG2 LYS A 444 4.990 1.812 10.350 1.00 33.21 H new ATOM 0 HG3 LYS A 444 6.110 1.690 11.693 1.00 33.21 H new ATOM 0 HD2 LYS A 444 5.810 4.052 12.216 1.00 54.15 H new ATOM 0 HD3 LYS A 444 4.802 4.273 10.800 1.00 54.15 H new ATOM 0 HE2 LYS A 444 3.189 2.680 11.629 1.00 54.21 H new ATOM 0 HE3 LYS A 444 4.228 2.268 12.979 1.00 54.21 H new ATOM 0 HZ1 LYS A 444 3.049 3.739 14.082 1.00 1.11 H new ATOM 0 HZ2 LYS A 444 3.915 4.937 13.247 1.00 1.11 H new ATOM 0 HZ3 LYS A 444 2.396 4.435 12.678 1.00 1.11 H new ATOM 1287 N SER A 445 8.333 4.498 8.048 1.00 55.42 N ATOM 1288 CA SER A 445 9.550 4.815 7.315 1.00 12.50 C ATOM 1289 C SER A 445 10.236 6.020 7.953 1.00 53.14 C ATOM 1290 O SER A 445 9.566 6.915 8.472 1.00 23.01 O ATOM 1291 CB SER A 445 9.218 5.138 5.839 1.00 55.02 C ATOM 1292 OG SER A 445 10.377 5.513 5.111 1.00 5.24 O ATOM 0 H SER A 445 8.092 5.189 8.759 1.00 55.42 H new ATOM 0 HA SER A 445 10.215 3.952 7.351 1.00 12.50 H new ATOM 0 HB2 SER A 445 8.759 4.267 5.370 1.00 55.02 H new ATOM 0 HB3 SER A 445 8.486 5.945 5.799 1.00 55.02 H new ATOM 0 HG SER A 445 10.131 5.708 4.183 1.00 5.24 H new ATOM 1298 N PRO A 446 11.579 6.062 7.947 1.00 34.04 N ATOM 1299 CA PRO A 446 12.329 7.209 8.465 1.00 72.13 C ATOM 1300 C PRO A 446 12.107 8.443 7.595 1.00 63.42 C ATOM 1301 O PRO A 446 12.206 9.574 8.053 1.00 52.25 O ATOM 1302 CB PRO A 446 13.793 6.756 8.388 1.00 0.11 C ATOM 1303 CG PRO A 446 13.809 5.675 7.369 1.00 65.35 C ATOM 1304 CD PRO A 446 12.476 4.994 7.459 1.00 44.25 C ATOM 0 HA PRO A 446 12.022 7.488 9.473 1.00 72.13 H new ATOM 0 HB2 PRO A 446 14.446 7.580 8.100 1.00 0.11 H new ATOM 0 HB3 PRO A 446 14.145 6.393 9.354 1.00 0.11 H new ATOM 0 HG2 PRO A 446 13.971 6.083 6.371 1.00 65.35 H new ATOM 0 HG3 PRO A 446 14.619 4.971 7.561 1.00 65.35 H new ATOM 0 HD2 PRO A 446 12.154 4.610 6.491 1.00 44.25 H new ATOM 0 HD3 PRO A 446 12.503 4.147 8.145 1.00 44.25 H new ATOM 1312 N ALA A 447 11.752 8.206 6.344 1.00 22.22 N ATOM 1313 CA ALA A 447 11.521 9.271 5.407 1.00 62.11 C ATOM 1314 C ALA A 447 10.147 9.894 5.616 1.00 14.12 C ATOM 1315 O ALA A 447 9.891 11.017 5.177 1.00 11.53 O ATOM 1316 CB ALA A 447 11.686 8.769 3.992 1.00 41.01 C ATOM 0 H ALA A 447 11.618 7.271 5.959 1.00 22.22 H new ATOM 0 HA ALA A 447 12.263 10.051 5.580 1.00 62.11 H new ATOM 0 HB1 ALA A 447 11.508 9.586 3.293 1.00 41.01 H new ATOM 0 HB2 ALA A 447 12.699 8.389 3.856 1.00 41.01 H new ATOM 0 HB3 ALA A 447 10.970 7.969 3.804 1.00 41.01 H new ATOM 1322 N ALA A 448 9.268 9.164 6.298 1.00 73.42 N ATOM 1323 CA ALA A 448 7.939 9.669 6.627 1.00 74.30 C ATOM 1324 C ALA A 448 7.965 10.307 7.993 1.00 1.32 C ATOM 1325 O ALA A 448 6.935 10.664 8.557 1.00 20.54 O ATOM 1326 CB ALA A 448 6.939 8.556 6.622 1.00 12.22 C ATOM 0 H ALA A 448 9.453 8.219 6.634 1.00 73.42 H new ATOM 0 HA ALA A 448 7.652 10.407 5.878 1.00 74.30 H new ATOM 0 HB1 ALA A 448 5.954 8.951 6.869 1.00 12.22 H new ATOM 0 HB2 ALA A 448 6.909 8.099 5.633 1.00 12.22 H new ATOM 0 HB3 ALA A 448 7.225 7.806 7.360 1.00 12.22 H new