USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 70 HIS : no HD1:sc= -0.257 K(o=-0.36,f=-5.1!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= -0.0978 USER MOD Single : A 11 ASN : amide:sc= -0.126 K(o=-0.13,f=-4.1!) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.296 USER MOD Single : A 23 THR OG1 : rot 160:sc= -0.171 USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= 1.12 (180deg=1.06) USER MOD Single : A 25 GLN : amide:sc= 0.0804 K(o=0.08,f=-5.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.34) USER MOD Single : A 67 SER OG : rot 29:sc= 1.26 USER MOD Single : A 73 THR OG1 : rot 12:sc= 0.934 USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= 0.553 (180deg=0.117) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 81 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.086) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -149:sc= 0.38 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 148:sc= 0.436 USER MOD Single : A 96 TYR OH : rot 30:sc= -1.97! USER MOD Single : A 97 CYS SG : rot -45:sc= -0.0974 USER MOD Single : A 103 CYS SG : rot -143:sc= 0.904 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= -0.0294 (180deg=-0.257) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 73:sc= 0.851 USER MOD Single : A 115 SER OG : rot -80:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.709 6.953 0.861 1.00 0.00 N ATOM 131 CA ASN A 11 -12.868 7.450 1.959 1.00 0.00 C ATOM 132 C ASN A 11 -13.671 7.549 3.251 1.00 0.00 C ATOM 133 O ASN A 11 -13.166 7.266 4.335 1.00 0.00 O ATOM 134 CB ASN A 11 -12.274 8.823 1.602 1.00 0.00 C ATOM 135 CG ASN A 11 -11.331 9.364 2.673 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.754 10.033 3.614 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.045 9.093 2.520 1.00 0.00 N ATOM 0 HA ASN A 11 -12.053 6.742 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.735 8.745 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.085 9.534 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.366 9.443 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.732 8.534 1.726 1.00 0.00 H new ATOM 144 N ALA A 12 -14.913 7.971 3.130 1.00 0.00 N ATOM 145 CA ALA A 12 -15.796 8.050 4.267 1.00 0.00 C ATOM 146 C ALA A 12 -16.398 6.681 4.543 1.00 0.00 C ATOM 147 O ALA A 12 -16.688 5.927 3.609 1.00 0.00 O ATOM 148 CB ALA A 12 -16.892 9.075 4.017 1.00 0.00 C ATOM 0 H ALA A 12 -15.332 8.265 2.248 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.226 8.368 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.550 9.123 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.443 10.054 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.469 8.784 3.139 1.00 0.00 H new ATOM 154 N VAL A 13 -16.589 6.359 5.805 1.00 0.00 N ATOM 155 CA VAL A 13 -17.170 5.078 6.175 1.00 0.00 C ATOM 156 C VAL A 13 -18.444 5.274 6.957 1.00 0.00 C ATOM 157 O VAL A 13 -18.662 6.330 7.559 1.00 0.00 O ATOM 158 CB VAL A 13 -16.206 4.204 7.018 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.984 3.813 6.214 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.798 4.924 8.296 1.00 0.00 C ATOM 0 H VAL A 13 -16.352 6.962 6.593 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.374 4.560 5.238 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.737 3.293 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.325 3.201 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.292 3.245 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.454 4.711 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.122 4.291 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.294 5.857 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.685 5.140 8.891 1.00 0.00 H new ATOM 170 N VAL A 14 -19.280 4.269 6.936 1.00 0.00 N ATOM 171 CA VAL A 14 -20.514 4.290 7.668 1.00 0.00 C ATOM 172 C VAL A 14 -20.419 3.302 8.815 1.00 0.00 C ATOM 173 O VAL A 14 -20.241 2.100 8.599 1.00 0.00 O ATOM 174 CB VAL A 14 -21.718 3.917 6.764 1.00 0.00 C ATOM 175 CG1 VAL A 14 -23.025 4.001 7.539 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.765 4.814 5.534 1.00 0.00 C ATOM 0 H VAL A 14 -19.121 3.411 6.408 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.677 5.300 8.043 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.586 2.887 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.854 3.735 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.993 3.311 8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.165 5.017 7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.617 4.536 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.867 5.854 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.845 4.695 4.962 1.00 0.00 H new ATOM 186 N VAL A 15 -20.520 3.809 10.022 1.00 0.00 N ATOM 187 CA VAL A 15 -20.447 2.979 11.201 1.00 0.00 C ATOM 188 C VAL A 15 -21.807 2.915 11.857 1.00 0.00 C ATOM 189 O VAL A 15 -22.438 3.946 12.104 1.00 0.00 O ATOM 190 CB VAL A 15 -19.401 3.509 12.215 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.354 2.631 13.461 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.026 3.587 11.569 1.00 0.00 C ATOM 0 H VAL A 15 -20.654 4.802 10.213 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.133 1.982 10.892 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.702 4.512 12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.612 3.025 14.156 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.333 2.626 13.940 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.083 1.614 13.179 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.304 3.961 12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.724 2.594 11.235 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.064 4.262 10.714 1.00 0.00 H new ATOM 202 N PHE A 16 -22.259 1.712 12.123 1.00 0.00 N ATOM 203 CA PHE A 16 -23.557 1.495 12.715 1.00 0.00 C ATOM 204 C PHE A 16 -23.522 0.323 13.682 1.00 0.00 C ATOM 205 O PHE A 16 -22.544 -0.425 13.728 1.00 0.00 O ATOM 206 CB PHE A 16 -24.610 1.258 11.619 1.00 0.00 C ATOM 207 CG PHE A 16 -24.279 0.128 10.674 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.657 -1.173 10.964 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.589 0.373 9.494 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.354 -2.206 10.099 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.285 -0.655 8.626 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.666 -1.945 8.929 1.00 0.00 C ATOM 0 H PHE A 16 -21.737 0.856 11.935 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.831 2.388 13.276 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.570 1.051 12.092 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.730 2.175 11.042 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.195 -1.382 11.877 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.287 1.381 9.253 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.654 -3.216 10.336 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.750 -0.450 7.711 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.427 -2.752 8.252 1.00 0.00 H new ATOM 222 N GLY A 17 -24.584 0.170 14.454 1.00 0.00 N ATOM 223 CA GLY A 17 -24.661 -0.932 15.396 1.00 0.00 C ATOM 224 C GLY A 17 -24.285 -0.526 16.804 1.00 0.00 C ATOM 225 O GLY A 17 -24.182 -1.372 17.692 1.00 0.00 O ATOM 0 H GLY A 17 -25.396 0.787 14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.674 -1.333 15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.001 -1.734 15.065 1.00 0.00 H new ATOM 229 N TYR A 18 -24.081 0.760 17.012 1.00 0.00 N ATOM 230 CA TYR A 18 -23.732 1.269 18.324 1.00 0.00 C ATOM 231 C TYR A 18 -24.917 1.992 18.940 1.00 0.00 C ATOM 232 O TYR A 18 -25.811 2.461 18.231 1.00 0.00 O ATOM 233 CB TYR A 18 -22.516 2.212 18.252 1.00 0.00 C ATOM 234 CG TYR A 18 -22.736 3.436 17.378 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.536 3.384 16.004 1.00 0.00 C ATOM 236 CD2 TYR A 18 -23.162 4.637 17.931 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.751 4.493 15.209 1.00 0.00 C ATOM 238 CE2 TYR A 18 -23.383 5.748 17.141 1.00 0.00 C ATOM 239 CZ TYR A 18 -23.177 5.670 15.784 1.00 0.00 C ATOM 240 OH TYR A 18 -23.401 6.775 14.999 1.00 0.00 O ATOM 0 H TYR A 18 -24.151 1.474 16.287 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.465 0.420 18.953 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.262 2.539 19.260 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.659 1.656 17.872 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.207 2.461 15.550 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -23.323 4.703 18.997 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.586 4.438 14.143 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.716 6.674 17.587 1.00 0.00 H new ATOM 0 HH TYR A 18 -23.698 7.521 15.561 1.00 0.00 H new ATOM 250 N ARG A 19 -24.913 2.079 20.248 1.00 0.00 N ATOM 251 CA ARG A 19 -25.977 2.728 20.989 1.00 0.00 C ATOM 252 C ARG A 19 -25.472 4.047 21.557 1.00 0.00 C ATOM 253 O ARG A 19 -24.285 4.166 21.873 1.00 0.00 O ATOM 254 CB ARG A 19 -26.426 1.807 22.124 1.00 0.00 C ATOM 255 CG ARG A 19 -27.602 2.323 22.930 1.00 0.00 C ATOM 256 CD ARG A 19 -27.934 1.371 24.065 1.00 0.00 C ATOM 257 NE ARG A 19 -28.291 0.034 23.576 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.513 -0.503 23.643 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.532 0.196 24.134 1.00 0.00 N ATOM 260 NH2 ARG A 19 -29.711 -1.742 23.206 1.00 0.00 N ATOM 0 H ARG A 19 -24.170 1.701 20.835 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.821 2.929 20.329 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -26.689 0.836 21.704 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -25.584 1.645 22.797 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.369 3.309 23.332 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.470 2.440 22.281 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -27.078 1.295 24.736 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.761 1.776 24.648 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.551 -0.527 23.154 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.384 1.150 24.463 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -31.461 -0.222 24.181 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.933 -2.278 22.822 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -30.641 -2.157 23.255 1.00 0.00 H new ATOM 274 N GLU A 20 -26.356 5.036 21.685 1.00 0.00 N ATOM 275 CA GLU A 20 -25.963 6.327 22.241 1.00 0.00 C ATOM 276 C GLU A 20 -25.786 6.218 23.764 1.00 0.00 C ATOM 277 O GLU A 20 -26.568 6.760 24.547 1.00 0.00 O ATOM 278 CB GLU A 20 -26.988 7.421 21.898 1.00 0.00 C ATOM 279 CG GLU A 20 -26.543 8.824 22.297 1.00 0.00 C ATOM 280 CD GLU A 20 -27.613 9.863 22.064 1.00 0.00 C ATOM 281 OE1 GLU A 20 -28.491 10.017 22.940 1.00 0.00 O ATOM 282 OE2 GLU A 20 -27.580 10.535 21.016 1.00 0.00 O ATOM 0 H GLU A 20 -27.337 4.969 21.414 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.011 6.610 21.792 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.181 7.402 20.825 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.930 7.193 22.396 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.264 8.826 23.351 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.652 9.093 21.730 1.00 0.00 H new ATOM 289 N ALA A 21 -24.778 5.475 24.158 1.00 0.00 N ATOM 290 CA ALA A 21 -24.449 5.271 25.559 1.00 0.00 C ATOM 291 C ALA A 21 -22.959 5.011 25.714 1.00 0.00 C ATOM 292 O ALA A 21 -22.333 5.462 26.670 1.00 0.00 O ATOM 293 CB ALA A 21 -25.253 4.113 26.130 1.00 0.00 C ATOM 0 H ALA A 21 -24.155 4.989 23.513 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.705 6.174 26.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -24.995 3.973 27.180 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.317 4.332 26.044 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -25.024 3.203 25.576 1.00 0.00 H new ATOM 299 N ILE A 22 -22.393 4.304 24.741 1.00 0.00 N ATOM 300 CA ILE A 22 -20.964 3.973 24.724 1.00 0.00 C ATOM 301 C ILE A 22 -20.136 5.127 24.160 1.00 0.00 C ATOM 302 O ILE A 22 -19.062 4.907 23.591 1.00 0.00 O ATOM 303 CB ILE A 22 -20.687 2.679 23.889 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.474 2.658 22.553 1.00 0.00 C ATOM 305 CG2 ILE A 22 -21.008 1.443 24.695 1.00 0.00 C ATOM 306 CD1 ILE A 22 -20.969 3.622 21.502 1.00 0.00 C ATOM 0 H ILE A 22 -22.909 3.942 23.939 1.00 0.00 H new ATOM 0 HA ILE A 22 -20.668 3.795 25.758 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.625 2.685 23.645 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -21.441 1.648 22.145 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -22.520 2.884 22.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.808 0.555 24.095 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.388 1.422 25.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -22.060 1.458 24.981 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.581 3.535 20.604 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.028 4.641 21.884 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.933 3.385 21.259 1.00 0.00 H new ATOM 318 N THR A 23 -20.628 6.348 24.366 1.00 0.00 N ATOM 319 CA THR A 23 -20.029 7.549 23.807 1.00 0.00 C ATOM 320 C THR A 23 -18.517 7.612 23.986 1.00 0.00 C ATOM 321 O THR A 23 -17.778 7.340 23.056 1.00 0.00 O ATOM 322 CB THR A 23 -20.644 8.811 24.413 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.068 8.795 24.238 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.054 10.041 23.748 1.00 0.00 C ATOM 0 H THR A 23 -21.459 6.528 24.930 1.00 0.00 H new ATOM 0 HA THR A 23 -20.241 7.501 22.739 1.00 0.00 H new ATOM 0 HB THR A 23 -20.419 8.840 25.479 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.483 9.407 24.881 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.496 10.937 24.184 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.975 10.056 23.903 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.267 10.014 22.679 1.00 0.00 H new ATOM 332 N LYS A 24 -18.063 7.935 25.189 1.00 0.00 N ATOM 333 CA LYS A 24 -16.632 8.092 25.433 1.00 0.00 C ATOM 334 C LYS A 24 -15.923 6.750 25.433 1.00 0.00 C ATOM 335 O LYS A 24 -14.702 6.677 25.265 1.00 0.00 O ATOM 336 CB LYS A 24 -16.344 8.868 26.739 1.00 0.00 C ATOM 337 CG LYS A 24 -17.493 8.922 27.744 1.00 0.00 C ATOM 338 CD LYS A 24 -18.461 10.079 27.459 1.00 0.00 C ATOM 339 CE LYS A 24 -19.552 10.139 28.523 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.426 11.330 28.382 1.00 0.00 N ATOM 0 H LYS A 24 -18.655 8.092 26.004 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.235 8.687 24.610 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.480 8.415 27.226 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.064 9.889 26.479 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.039 7.979 27.719 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.088 9.029 28.750 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.914 11.021 27.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -18.912 9.950 26.475 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -20.162 9.237 28.463 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.090 10.147 29.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.379 11.105 28.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.031 12.118 28.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.481 11.603 27.380 1.00 0.00 H new ATOM 354 N GLN A 25 -16.695 5.691 25.601 1.00 0.00 N ATOM 355 CA GLN A 25 -16.168 4.340 25.631 1.00 0.00 C ATOM 356 C GLN A 25 -15.533 3.956 24.290 1.00 0.00 C ATOM 357 O GLN A 25 -14.416 3.442 24.249 1.00 0.00 O ATOM 358 CB GLN A 25 -17.280 3.344 25.998 1.00 0.00 C ATOM 359 CG GLN A 25 -17.700 3.372 27.468 1.00 0.00 C ATOM 360 CD GLN A 25 -18.321 4.695 27.904 1.00 0.00 C ATOM 361 OE1 GLN A 25 -18.973 5.390 27.117 1.00 0.00 O ATOM 362 NE2 GLN A 25 -18.116 5.052 29.158 1.00 0.00 N ATOM 0 H GLN A 25 -17.707 5.745 25.721 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.389 4.302 26.392 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.154 3.551 25.380 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.945 2.337 25.749 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.415 2.569 27.648 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.828 3.168 28.090 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.572 4.451 29.777 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.501 5.929 29.508 1.00 0.00 H new ATOM 371 N ILE A 26 -16.248 4.203 23.195 1.00 0.00 N ATOM 372 CA ILE A 26 -15.743 3.887 21.877 1.00 0.00 C ATOM 373 C ILE A 26 -15.103 5.128 21.222 1.00 0.00 C ATOM 374 O ILE A 26 -14.358 5.021 20.238 1.00 0.00 O ATOM 375 CB ILE A 26 -16.875 3.327 20.976 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.287 2.422 19.912 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.682 4.455 20.334 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.321 1.645 19.120 1.00 0.00 C ATOM 0 H ILE A 26 -17.178 4.621 23.203 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.975 3.121 21.986 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.555 2.748 21.601 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.696 3.025 19.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.604 1.718 20.386 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.467 4.030 19.709 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.132 5.070 21.114 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.023 5.070 19.721 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.819 1.022 18.380 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.897 1.013 19.796 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.991 2.341 18.615 1.00 0.00 H new ATOM 390 N LEU A 27 -15.386 6.295 21.801 1.00 0.00 N ATOM 391 CA LEU A 27 -14.900 7.575 21.283 1.00 0.00 C ATOM 392 C LEU A 27 -13.374 7.620 21.297 1.00 0.00 C ATOM 393 O LEU A 27 -12.749 8.068 20.348 1.00 0.00 O ATOM 394 CB LEU A 27 -15.454 8.726 22.139 1.00 0.00 C ATOM 395 CG LEU A 27 -15.458 10.115 21.507 1.00 0.00 C ATOM 396 CD1 LEU A 27 -16.571 10.227 20.472 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.609 11.186 22.575 1.00 0.00 C ATOM 0 H LEU A 27 -15.958 6.380 22.641 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.244 7.683 20.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.478 8.478 22.420 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.873 8.774 23.060 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.504 10.267 21.002 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.559 11.224 20.031 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.417 9.483 19.690 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.534 10.054 20.953 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.610 12.170 22.106 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.548 11.038 23.109 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.778 11.119 23.277 1.00 0.00 H new ATOM 409 N ALA A 28 -12.787 7.125 22.368 1.00 0.00 N ATOM 410 CA ALA A 28 -11.339 7.150 22.532 1.00 0.00 C ATOM 411 C ALA A 28 -10.619 6.248 21.519 1.00 0.00 C ATOM 412 O ALA A 28 -9.399 6.323 21.374 1.00 0.00 O ATOM 413 CB ALA A 28 -10.971 6.750 23.953 1.00 0.00 C ATOM 0 H ALA A 28 -13.290 6.697 23.145 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.006 8.170 22.342 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.887 6.771 24.068 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.424 7.449 24.657 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.338 5.743 24.154 1.00 0.00 H new ATOM 419 N TYR A 29 -11.365 5.393 20.833 1.00 0.00 N ATOM 420 CA TYR A 29 -10.759 4.481 19.873 1.00 0.00 C ATOM 421 C TYR A 29 -10.796 5.050 18.441 1.00 0.00 C ATOM 422 O TYR A 29 -9.752 5.313 17.840 1.00 0.00 O ATOM 423 CB TYR A 29 -11.457 3.110 19.921 1.00 0.00 C ATOM 424 CG TYR A 29 -10.709 2.007 19.188 1.00 0.00 C ATOM 425 CD1 TYR A 29 -10.881 1.804 17.825 1.00 0.00 C ATOM 426 CD2 TYR A 29 -9.834 1.168 19.868 1.00 0.00 C ATOM 427 CE1 TYR A 29 -10.204 0.799 17.159 1.00 0.00 C ATOM 428 CE2 TYR A 29 -9.154 0.160 19.209 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.342 -0.019 17.856 1.00 0.00 C ATOM 430 OH TYR A 29 -8.668 -1.022 17.198 1.00 0.00 O ATOM 0 H TYR A 29 -12.378 5.312 20.921 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.713 4.358 20.152 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.586 2.816 20.963 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.454 3.206 19.491 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.556 2.443 17.275 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.683 1.306 20.928 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.350 0.656 16.099 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.479 -0.484 19.753 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.100 -1.506 17.833 1.00 0.00 H new ATOM 440 N PHE A 30 -12.003 5.247 17.911 1.00 0.00 N ATOM 441 CA PHE A 30 -12.180 5.695 16.516 1.00 0.00 C ATOM 442 C PHE A 30 -12.212 7.219 16.370 1.00 0.00 C ATOM 443 O PHE A 30 -11.687 7.767 15.397 1.00 0.00 O ATOM 444 CB PHE A 30 -13.476 5.125 15.928 1.00 0.00 C ATOM 445 CG PHE A 30 -13.517 3.630 15.812 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.019 2.993 14.688 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.070 2.863 16.821 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.071 1.616 14.575 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.127 1.489 16.713 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.626 0.864 15.589 1.00 0.00 C ATOM 0 H PHE A 30 -12.876 5.106 18.420 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.311 5.323 15.973 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.312 5.449 16.548 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.628 5.555 14.938 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.585 3.578 13.891 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.462 3.345 17.704 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.678 1.130 13.694 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.564 0.902 17.508 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.669 -0.212 15.504 1.00 0.00 H new ATOM 460 N ALA A 31 -12.798 7.901 17.353 1.00 0.00 N ATOM 461 CA ALA A 31 -13.048 9.347 17.249 1.00 0.00 C ATOM 462 C ALA A 31 -11.790 10.181 17.196 1.00 0.00 C ATOM 463 O ALA A 31 -11.856 11.380 16.941 1.00 0.00 O ATOM 464 CB ALA A 31 -13.947 9.832 18.356 1.00 0.00 C ATOM 0 H ALA A 31 -13.109 7.482 18.229 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.552 9.482 16.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.111 10.904 18.248 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.903 9.312 18.302 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.478 9.631 19.319 1.00 0.00 H new ATOM 470 N GLN A 32 -10.656 9.561 17.418 1.00 0.00 N ATOM 471 CA GLN A 32 -9.390 10.267 17.391 1.00 0.00 C ATOM 472 C GLN A 32 -9.129 10.875 16.014 1.00 0.00 C ATOM 473 O GLN A 32 -8.397 11.857 15.890 1.00 0.00 O ATOM 474 CB GLN A 32 -8.260 9.330 17.796 1.00 0.00 C ATOM 475 CG GLN A 32 -8.429 8.773 19.194 1.00 0.00 C ATOM 476 CD GLN A 32 -8.473 9.861 20.246 1.00 0.00 C ATOM 477 OE1 GLN A 32 -9.540 10.402 20.566 1.00 0.00 O ATOM 478 NE2 GLN A 32 -7.325 10.193 20.787 1.00 0.00 N ATOM 0 H GLN A 32 -10.580 8.564 17.621 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.436 11.086 18.108 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.207 8.505 17.086 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.312 9.865 17.735 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.348 8.188 19.241 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.606 8.092 19.413 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.468 9.722 20.495 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.289 10.922 21.500 1.00 0.00 H new ATOM 487 N PHE A 33 -9.729 10.278 14.988 1.00 0.00 N ATOM 488 CA PHE A 33 -9.599 10.776 13.627 1.00 0.00 C ATOM 489 C PHE A 33 -10.976 10.952 12.960 1.00 0.00 C ATOM 490 O PHE A 33 -11.069 11.089 11.742 1.00 0.00 O ATOM 491 CB PHE A 33 -8.710 9.843 12.793 1.00 0.00 C ATOM 492 CG PHE A 33 -7.267 9.828 13.220 1.00 0.00 C ATOM 493 CD1 PHE A 33 -6.378 10.773 12.731 1.00 0.00 C ATOM 494 CD2 PHE A 33 -6.798 8.868 14.108 1.00 0.00 C ATOM 495 CE1 PHE A 33 -5.052 10.762 13.119 1.00 0.00 C ATOM 496 CE2 PHE A 33 -5.471 8.854 14.497 1.00 0.00 C ATOM 497 CZ PHE A 33 -4.599 9.802 14.002 1.00 0.00 C ATOM 0 H PHE A 33 -10.312 9.446 15.077 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.125 11.756 13.675 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.107 8.830 12.854 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.765 10.144 11.747 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.726 11.526 12.039 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.477 8.125 14.499 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.370 11.504 12.732 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.118 8.102 15.187 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.562 9.793 14.305 1.00 0.00 H new ATOM 507 N GLY A 34 -12.037 10.959 13.769 1.00 0.00 N ATOM 508 CA GLY A 34 -13.384 11.120 13.227 1.00 0.00 C ATOM 509 C GLY A 34 -14.466 10.891 14.271 1.00 0.00 C ATOM 510 O GLY A 34 -14.495 9.851 14.908 1.00 0.00 O ATOM 0 H GLY A 34 -11.991 10.857 14.783 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.488 12.124 12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.526 10.421 12.403 1.00 0.00 H new ATOM 514 N GLU A 35 -15.364 11.867 14.430 1.00 0.00 N ATOM 515 CA GLU A 35 -16.443 11.786 15.431 1.00 0.00 C ATOM 516 C GLU A 35 -17.351 10.581 15.200 1.00 0.00 C ATOM 517 O GLU A 35 -17.654 10.228 14.062 1.00 0.00 O ATOM 518 CB GLU A 35 -17.296 13.050 15.409 1.00 0.00 C ATOM 519 CG GLU A 35 -16.587 14.308 15.858 1.00 0.00 C ATOM 520 CD GLU A 35 -17.502 15.507 15.799 1.00 0.00 C ATOM 521 OE1 GLU A 35 -17.661 16.076 14.701 1.00 0.00 O ATOM 522 OE2 GLU A 35 -18.090 15.868 16.841 1.00 0.00 O ATOM 0 H GLU A 35 -15.369 12.726 13.880 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.958 11.678 16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -17.667 13.202 14.395 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.166 12.894 16.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.221 14.177 16.876 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.716 14.482 15.226 1.00 0.00 H new ATOM 529 N ILE A 36 -17.778 9.960 16.292 1.00 0.00 N ATOM 530 CA ILE A 36 -18.676 8.815 16.222 1.00 0.00 C ATOM 531 C ILE A 36 -20.065 9.186 16.756 1.00 0.00 C ATOM 532 O ILE A 36 -21.055 9.116 16.038 1.00 0.00 O ATOM 533 CB ILE A 36 -18.129 7.606 17.028 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.711 7.237 16.567 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.059 6.401 16.879 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.628 6.806 15.118 1.00 0.00 C ATOM 0 H ILE A 36 -17.516 10.231 17.240 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.748 8.529 15.173 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.086 7.892 18.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.056 8.095 16.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.333 6.432 17.197 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.662 5.562 17.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.050 6.658 17.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.129 6.123 15.827 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.595 6.562 14.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.255 5.928 14.963 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.974 7.617 14.477 1.00 0.00 H new ATOM 548 N LEU A 37 -20.120 9.598 18.022 1.00 0.00 N ATOM 549 CA LEU A 37 -21.387 9.950 18.657 1.00 0.00 C ATOM 550 C LEU A 37 -21.547 11.456 18.802 1.00 0.00 C ATOM 551 O LEU A 37 -20.608 12.220 18.588 1.00 0.00 O ATOM 552 CB LEU A 37 -21.555 9.274 20.029 1.00 0.00 C ATOM 553 CG LEU A 37 -21.690 7.748 20.022 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.329 7.079 20.029 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.535 7.278 21.195 1.00 0.00 C ATOM 0 H LEU A 37 -19.304 9.696 18.626 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.170 9.579 17.995 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.698 9.539 20.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.438 9.693 20.511 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.197 7.458 19.101 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.456 5.996 20.024 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.770 7.383 19.144 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.782 7.376 20.924 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.618 6.191 21.171 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -22.064 7.585 22.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.529 7.720 21.127 1.00 0.00 H new ATOM 567 N GLU A 38 -22.754 11.866 19.172 1.00 0.00 N ATOM 568 CA GLU A 38 -23.093 13.275 19.320 1.00 0.00 C ATOM 569 C GLU A 38 -22.669 13.823 20.691 1.00 0.00 C ATOM 570 O GLU A 38 -22.502 15.031 20.863 1.00 0.00 O ATOM 571 CB GLU A 38 -24.594 13.456 19.127 1.00 0.00 C ATOM 572 CG GLU A 38 -25.075 13.033 17.752 1.00 0.00 C ATOM 573 CD GLU A 38 -26.570 13.152 17.589 1.00 0.00 C ATOM 574 OE1 GLU A 38 -27.128 14.164 18.020 1.00 0.00 O ATOM 575 OE2 GLU A 38 -27.187 12.221 17.008 1.00 0.00 O ATOM 0 H GLU A 38 -23.525 11.231 19.378 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.549 13.837 18.561 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -25.123 12.877 19.884 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.851 14.503 19.289 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.583 13.645 16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.776 12.001 17.570 1.00 0.00 H new ATOM 582 N ASP A 39 -22.517 12.942 21.658 1.00 0.00 N ATOM 583 CA ASP A 39 -22.090 13.354 22.993 1.00 0.00 C ATOM 584 C ASP A 39 -20.571 13.496 23.051 1.00 0.00 C ATOM 585 O ASP A 39 -19.850 12.754 22.383 1.00 0.00 O ATOM 586 CB ASP A 39 -22.591 12.363 24.051 1.00 0.00 C ATOM 587 CG ASP A 39 -22.134 12.723 25.454 1.00 0.00 C ATOM 588 OD1 ASP A 39 -22.542 13.791 25.967 1.00 0.00 O ATOM 589 OD2 ASP A 39 -21.377 11.937 26.051 1.00 0.00 O ATOM 0 H ASP A 39 -22.680 11.941 21.553 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.529 14.328 23.210 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.680 12.330 24.025 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.236 11.363 23.803 1.00 0.00 H new ATOM 594 N LEU A 40 -20.090 14.454 23.835 1.00 0.00 N ATOM 595 CA LEU A 40 -18.667 14.712 23.954 1.00 0.00 C ATOM 596 C LEU A 40 -18.434 15.729 25.068 1.00 0.00 C ATOM 597 O LEU A 40 -18.781 16.902 24.930 1.00 0.00 O ATOM 598 CB LEU A 40 -18.105 15.250 22.613 1.00 0.00 C ATOM 599 CG LEU A 40 -16.576 15.162 22.406 1.00 0.00 C ATOM 600 CD1 LEU A 40 -16.211 15.596 20.996 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.817 16.001 23.424 1.00 0.00 C ATOM 0 H LEU A 40 -20.675 15.068 24.401 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.150 13.783 24.195 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.588 14.707 21.801 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.400 16.295 22.517 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.284 14.122 22.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.131 15.530 20.863 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.706 14.945 20.275 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.533 16.625 20.837 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.746 15.911 23.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.115 17.045 23.329 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.046 15.648 24.430 1.00 0.00 H new ATOM 1035 N SER A 67 -19.274 16.463 12.595 1.00 0.00 N ATOM 1036 CA SER A 67 -18.607 17.062 11.445 1.00 0.00 C ATOM 1037 C SER A 67 -19.290 16.647 10.120 1.00 0.00 C ATOM 1038 O SER A 67 -19.124 17.298 9.085 1.00 0.00 O ATOM 1039 CB SER A 67 -17.128 16.663 11.426 1.00 0.00 C ATOM 1040 OG SER A 67 -16.463 17.079 12.612 1.00 0.00 O ATOM 0 HA SER A 67 -18.684 18.145 11.537 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.043 15.582 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.641 17.108 10.559 1.00 0.00 H new ATOM 0 HG SER A 67 -17.104 17.111 13.353 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.045 15.568 10.171 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.769 15.068 9.030 1.00 0.00 C ATOM 1048 C ARG A 68 -22.181 14.671 9.475 1.00 0.00 C ATOM 1049 O ARG A 68 -22.414 14.423 10.661 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.041 13.867 8.419 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.196 13.761 6.908 1.00 0.00 C ATOM 1052 CD ARG A 68 -19.026 14.421 6.173 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.755 15.785 6.644 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.798 16.584 6.150 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.050 16.184 5.120 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.592 17.781 6.693 1.00 0.00 N ATOM 0 H ARG A 68 -20.171 15.011 11.016 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.832 15.845 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.981 13.934 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.417 12.953 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.261 12.711 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.130 14.233 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.131 13.812 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.242 14.446 5.105 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.335 16.150 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.205 15.266 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.324 16.797 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.161 18.088 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.865 18.392 6.320 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.116 14.639 8.544 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.500 14.291 8.862 1.00 0.00 C ATOM 1072 C GLU A 69 -24.644 12.791 9.120 1.00 0.00 C ATOM 1073 O GLU A 69 -23.866 11.989 8.606 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.419 14.733 7.727 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.167 14.017 6.410 1.00 0.00 C ATOM 1076 CD GLU A 69 -25.844 14.704 5.256 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -25.268 15.680 4.728 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -26.956 14.290 4.876 1.00 0.00 O ATOM 0 H GLU A 69 -22.949 14.849 7.560 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.788 14.813 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.454 14.567 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.300 15.806 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.094 13.968 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.525 12.990 6.481 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.636 12.420 9.917 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.848 11.022 10.273 1.00 0.00 C ATOM 1087 C HIS A 70 -27.294 10.776 10.683 1.00 0.00 C ATOM 1088 O HIS A 70 -28.117 11.691 10.659 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.903 10.606 11.413 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.150 11.309 12.718 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.590 12.528 13.041 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.900 10.951 13.787 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -24.986 12.881 14.247 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.780 11.945 14.717 1.00 0.00 N ATOM 0 H HIS A 70 -26.308 13.067 10.330 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.630 10.417 9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.996 9.532 11.571 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.875 10.795 11.103 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.484 10.048 13.886 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.705 13.787 14.763 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.234 11.958 15.630 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.585 9.543 11.069 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.916 9.184 11.501 1.00 0.00 C ATOM 1104 C GLY A 71 -28.890 8.432 12.814 1.00 0.00 C ATOM 1105 O GLY A 71 -27.914 8.513 13.558 1.00 0.00 O ATOM 0 H GLY A 71 -26.912 8.777 11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.520 10.085 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.394 8.569 10.738 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.946 7.695 13.099 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.031 6.940 14.338 1.00 0.00 C ATOM 1111 C ARG A 72 -29.163 5.686 14.276 1.00 0.00 C ATOM 1112 O ARG A 72 -29.241 4.912 13.329 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.491 6.571 14.660 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.144 5.634 13.649 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.587 5.338 14.020 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.217 4.403 13.086 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.536 4.224 12.971 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -36.381 4.934 13.707 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.004 3.335 12.116 1.00 0.00 N ATOM 0 H ARG A 72 -30.759 7.602 12.490 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.655 7.575 15.140 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.526 6.104 15.644 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -32.079 7.487 14.720 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.107 6.084 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.581 4.702 13.598 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.624 4.923 15.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -34.154 6.269 14.038 1.00 0.00 H new ATOM 0 HE ARG A 72 -33.608 3.851 12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -36.026 5.624 14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -37.386 4.790 13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -35.360 2.787 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.010 3.195 12.025 1.00 0.00 H new ATOM 1133 N THR A 73 -28.325 5.515 15.291 1.00 0.00 N ATOM 1134 CA THR A 73 -27.423 4.356 15.442 1.00 0.00 C ATOM 1135 C THR A 73 -26.445 4.155 14.261 1.00 0.00 C ATOM 1136 O THR A 73 -25.757 3.132 14.195 1.00 0.00 O ATOM 1137 CB THR A 73 -28.192 3.028 15.741 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.122 2.718 14.691 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.935 3.126 17.066 1.00 0.00 C ATOM 0 H THR A 73 -28.244 6.187 16.054 1.00 0.00 H new ATOM 0 HA THR A 73 -26.816 4.607 16.312 1.00 0.00 H new ATOM 0 HB THR A 73 -27.454 2.228 15.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.951 3.298 13.920 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.464 2.192 17.256 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.222 3.310 17.870 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.651 3.946 17.022 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.366 5.131 13.353 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.422 5.056 12.241 1.00 0.00 C ATOM 1149 C TRP A 74 -24.865 6.431 11.917 1.00 0.00 C ATOM 1150 O TRP A 74 -25.585 7.430 11.966 1.00 0.00 O ATOM 1151 CB TRP A 74 -26.058 4.416 10.979 1.00 0.00 C ATOM 1152 CG TRP A 74 -27.116 5.247 10.287 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.460 5.205 10.504 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.909 6.221 9.246 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.101 6.096 9.680 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.173 6.731 8.899 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.778 6.714 8.582 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.341 7.705 7.916 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.947 7.682 7.609 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.218 8.168 7.286 1.00 0.00 C ATOM 0 H TRP A 74 -26.940 5.974 13.367 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.603 4.409 12.556 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.264 4.201 10.263 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.499 3.460 11.261 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.950 4.563 11.221 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.108 6.259 9.654 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.793 6.345 8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.321 8.080 7.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.083 8.069 7.090 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.315 8.926 6.522 1.00 0.00 H new ATOM 1171 N THR A 75 -23.587 6.486 11.613 1.00 0.00 N ATOM 1172 CA THR A 75 -22.951 7.731 11.263 1.00 0.00 C ATOM 1173 C THR A 75 -21.920 7.529 10.158 1.00 0.00 C ATOM 1174 O THR A 75 -21.303 6.462 10.049 1.00 0.00 O ATOM 1175 CB THR A 75 -22.285 8.413 12.496 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.907 9.752 12.166 1.00 0.00 O ATOM 1177 CG2 THR A 75 -21.048 7.651 12.959 1.00 0.00 C ATOM 0 H THR A 75 -22.967 5.676 11.602 1.00 0.00 H new ATOM 0 HA THR A 75 -23.736 8.393 10.897 1.00 0.00 H new ATOM 0 HB THR A 75 -23.015 8.414 13.305 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.491 10.176 12.945 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.611 8.156 13.820 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.329 6.636 13.238 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.318 7.616 12.150 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.766 8.537 9.327 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.781 8.522 8.272 1.00 0.00 C ATOM 1187 C LYS A 76 -19.675 9.510 8.616 1.00 0.00 C ATOM 1188 O LYS A 76 -19.913 10.707 8.757 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.422 8.862 6.914 1.00 0.00 C ATOM 1190 CG LYS A 76 -22.147 10.191 6.908 1.00 0.00 C ATOM 1191 CD LYS A 76 -22.761 10.520 5.555 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.695 10.803 4.513 1.00 0.00 C ATOM 1193 NZ LYS A 76 -22.279 11.329 3.254 1.00 0.00 N ATOM 0 H LYS A 76 -22.322 9.391 9.366 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.358 7.521 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -20.647 8.876 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -22.123 8.073 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -22.932 10.175 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -21.450 10.981 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -23.382 9.688 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -23.415 11.387 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.980 11.524 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.141 9.888 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.615 11.999 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.459 10.541 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -23.174 11.816 3.463 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.481 9.015 8.760 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.369 9.851 9.154 1.00 0.00 C ATOM 1209 C LEU A 77 -16.211 9.738 8.188 1.00 0.00 C ATOM 1210 O LEU A 77 -15.994 8.693 7.565 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.900 9.538 10.582 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.372 8.122 10.835 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.469 8.120 12.049 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.518 7.143 11.040 1.00 0.00 C ATOM 0 H LEU A 77 -18.245 8.034 8.612 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.731 10.879 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.115 10.247 10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.733 9.718 11.261 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.804 7.806 9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.097 7.111 12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.628 8.792 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.031 8.456 12.921 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.117 6.145 11.218 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -18.112 7.453 11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.147 7.128 10.150 1.00 0.00 H new ATOM 1226 N THR A 78 -15.492 10.822 8.049 1.00 0.00 N ATOM 1227 CA THR A 78 -14.357 10.894 7.175 1.00 0.00 C ATOM 1228 C THR A 78 -13.064 11.028 7.984 1.00 0.00 C ATOM 1229 O THR A 78 -12.881 12.005 8.710 1.00 0.00 O ATOM 1230 CB THR A 78 -14.516 12.098 6.233 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.705 11.925 5.450 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.313 12.255 5.313 1.00 0.00 C ATOM 0 H THR A 78 -15.684 11.690 8.548 1.00 0.00 H new ATOM 0 HA THR A 78 -14.301 9.977 6.589 1.00 0.00 H new ATOM 0 HB THR A 78 -14.589 13.001 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.814 12.690 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.463 13.117 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.414 12.404 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.200 11.357 4.706 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.181 10.042 7.859 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.893 10.064 8.562 1.00 0.00 C ATOM 1242 C TYR A 79 -9.856 10.821 7.744 1.00 0.00 C ATOM 1243 O TYR A 79 -8.805 11.208 8.264 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.375 8.639 8.804 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.230 7.775 9.704 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.076 7.820 11.081 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.168 6.899 9.180 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.832 7.022 11.914 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.928 6.093 10.006 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.755 6.159 11.372 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.509 5.354 12.197 1.00 0.00 O ATOM 0 H TYR A 79 -12.329 9.216 7.279 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.050 10.561 9.519 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.275 8.140 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.376 8.703 9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.349 8.494 11.510 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.307 6.846 8.110 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.700 7.075 12.985 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.654 5.414 9.583 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.113 4.805 11.655 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.161 11.004 6.449 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.270 11.669 5.489 1.00 0.00 C ATOM 1263 C ALA A 80 -8.063 10.792 5.154 1.00 0.00 C ATOM 1264 O ALA A 80 -7.908 10.353 4.012 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.833 13.050 5.980 1.00 0.00 C ATOM 0 H ALA A 80 -11.040 10.691 6.037 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.839 11.819 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.175 13.508 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.711 13.680 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.301 12.948 6.926 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.233 10.517 6.148 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.049 9.697 5.944 1.00 0.00 C ATOM 1273 C ASN A 81 -6.419 8.243 5.776 1.00 0.00 C ATOM 1274 O ASN A 81 -7.241 7.701 6.525 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.059 9.849 7.099 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.353 11.194 7.103 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.035 11.736 8.160 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.074 11.725 5.924 1.00 0.00 N ATOM 0 H ASN A 81 -7.357 10.850 7.104 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.569 10.047 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.588 9.720 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.315 9.055 7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.578 12.615 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.355 11.245 5.069 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.793 7.607 4.808 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.068 6.217 4.499 1.00 0.00 C ATOM 1287 C HIS A 82 -5.582 5.295 5.621 1.00 0.00 C ATOM 1288 O HIS A 82 -6.128 4.214 5.826 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.432 5.821 3.148 1.00 0.00 C ATOM 1290 CG HIS A 82 -3.931 5.696 3.163 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.081 6.780 3.127 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.133 4.601 3.199 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -1.828 6.355 3.140 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -1.833 5.042 3.183 1.00 0.00 N ATOM 0 H HIS A 82 -5.082 8.035 4.215 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.148 6.099 4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.858 4.870 2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.712 6.563 2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.459 3.572 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.949 6.982 3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.005 4.447 3.202 1.00 0.00 H new ATOM 1302 N SER A 83 -4.558 5.742 6.342 1.00 0.00 N ATOM 1303 CA SER A 83 -3.985 4.962 7.431 1.00 0.00 C ATOM 1304 C SER A 83 -5.030 4.688 8.522 1.00 0.00 C ATOM 1305 O SER A 83 -5.186 3.551 8.984 1.00 0.00 O ATOM 1306 CB SER A 83 -2.808 5.730 8.022 1.00 0.00 C ATOM 1307 OG SER A 83 -1.908 6.125 6.997 1.00 0.00 O ATOM 0 H SER A 83 -4.107 6.644 6.190 1.00 0.00 H new ATOM 0 HA SER A 83 -3.648 4.002 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.170 6.609 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.289 5.107 8.750 1.00 0.00 H new ATOM 0 HG SER A 83 -1.159 6.618 7.392 1.00 0.00 H new ATOM 1313 N SER A 84 -5.749 5.729 8.918 1.00 0.00 N ATOM 1314 CA SER A 84 -6.803 5.609 9.905 1.00 0.00 C ATOM 1315 C SER A 84 -8.011 4.902 9.303 1.00 0.00 C ATOM 1316 O SER A 84 -8.705 4.135 9.973 1.00 0.00 O ATOM 1317 CB SER A 84 -7.191 6.993 10.419 1.00 0.00 C ATOM 1318 OG SER A 84 -6.041 7.711 10.845 1.00 0.00 O ATOM 0 H SER A 84 -5.616 6.676 8.563 1.00 0.00 H new ATOM 0 HA SER A 84 -6.441 5.014 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.702 7.548 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.892 6.895 11.248 1.00 0.00 H new ATOM 0 HG SER A 84 -6.287 8.322 11.571 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.235 5.169 8.025 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.344 4.598 7.281 1.00 0.00 C ATOM 1326 C TYR A 85 -9.289 3.074 7.229 1.00 0.00 C ATOM 1327 O TYR A 85 -10.248 2.409 7.592 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.334 5.164 5.862 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.252 4.449 4.907 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.604 4.695 4.907 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.749 3.524 3.996 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.444 4.044 4.033 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.581 2.867 3.117 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.930 3.132 3.140 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.772 2.490 2.264 1.00 0.00 O ATOM 0 H TYR A 85 -7.647 5.793 7.472 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.266 4.867 7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.616 6.216 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.317 5.120 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.014 5.411 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.689 3.318 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.504 4.248 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.178 2.151 2.416 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.253 1.879 1.700 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.154 2.536 6.811 1.00 0.00 N ATOM 1346 CA LEU A 86 -7.992 1.118 6.647 1.00 0.00 C ATOM 1347 C LEU A 86 -8.125 0.396 7.979 1.00 0.00 C ATOM 1348 O LEU A 86 -8.679 -0.698 8.056 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.650 0.826 5.999 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.400 -0.624 5.664 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.440 -1.137 4.673 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.001 -0.817 5.119 1.00 0.00 C ATOM 0 H LEU A 86 -7.323 3.080 6.578 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.783 0.748 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.571 1.413 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.860 1.170 6.667 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.489 -1.204 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.240 -2.184 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.435 -1.043 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.389 -0.551 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.844 -1.870 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.878 -0.222 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.273 -0.499 5.865 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.621 1.028 9.020 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.670 0.483 10.372 1.00 0.00 C ATOM 1366 C ARG A 87 -9.130 0.306 10.835 1.00 0.00 C ATOM 1367 O ARG A 87 -9.431 -0.537 11.680 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.922 1.437 11.311 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.788 0.962 12.747 1.00 0.00 C ATOM 1370 CD ARG A 87 -6.007 1.974 13.576 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.630 2.136 13.086 1.00 0.00 N ATOM 1372 CZ ARG A 87 -4.014 3.314 12.919 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -4.625 4.446 13.258 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -2.782 3.356 12.431 1.00 0.00 N ATOM 0 H ARG A 87 -7.163 1.937 8.957 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.196 -0.498 10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.924 1.609 10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.436 2.398 11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.777 0.814 13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.282 -0.003 12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.518 2.937 13.550 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.987 1.652 14.617 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.106 1.291 12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.567 4.420 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.151 5.340 13.129 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.302 2.491 12.182 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.314 4.253 12.304 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.026 1.099 10.255 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.451 1.062 10.595 1.00 0.00 C ATOM 1390 C ALA A 88 -12.187 -0.084 9.886 1.00 0.00 C ATOM 1391 O ALA A 88 -13.327 -0.387 10.212 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.107 2.396 10.269 1.00 0.00 C ATOM 0 H ALA A 88 -9.789 1.785 9.538 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.524 0.878 11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.165 2.354 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.625 3.188 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.001 2.603 9.204 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.528 -0.706 8.916 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.138 -1.791 8.126 1.00 0.00 C ATOM 1400 C LEU A 89 -12.229 -3.105 8.903 1.00 0.00 C ATOM 1401 O LEU A 89 -12.815 -4.074 8.420 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.371 -2.013 6.807 1.00 0.00 C ATOM 1403 CG LEU A 89 -11.779 -1.135 5.604 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.118 -1.581 5.048 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.831 0.335 5.978 1.00 0.00 C ATOM 0 H LEU A 89 -10.569 -0.484 8.650 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.156 -1.472 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.310 -1.852 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.487 -3.058 6.519 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.017 -1.259 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.389 -0.950 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.049 -2.618 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.880 -1.495 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.121 0.922 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.561 0.482 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.848 0.658 6.322 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.641 -3.148 10.086 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.679 -4.356 10.904 1.00 0.00 C ATOM 1419 C ARG A 90 -13.105 -4.632 11.411 1.00 0.00 C ATOM 1420 O ARG A 90 -13.691 -3.824 12.130 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.699 -4.248 12.076 1.00 0.00 C ATOM 1422 CG ARG A 90 -10.978 -3.090 13.026 1.00 0.00 C ATOM 1423 CD ARG A 90 -9.992 -3.075 14.169 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.106 -4.275 14.997 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.062 -4.968 15.457 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -7.821 -4.579 15.170 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -9.257 -6.051 16.194 1.00 0.00 N ATOM 0 H ARG A 90 -11.134 -2.368 10.503 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.374 -5.196 10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.724 -5.180 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.689 -4.142 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.923 -2.147 12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.992 -3.173 13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.979 -3.000 13.775 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.161 -2.191 14.784 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.041 -4.603 15.238 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.666 -3.749 14.597 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.025 -5.111 15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.206 -6.356 16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.458 -6.580 16.545 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.657 -5.770 11.023 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.014 -6.136 11.423 1.00 0.00 C ATOM 1443 C GLU A 91 -15.119 -7.632 11.717 1.00 0.00 C ATOM 1444 O GLU A 91 -16.202 -8.141 12.009 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.000 -5.765 10.310 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.765 -6.531 9.016 1.00 0.00 C ATOM 1447 CD GLU A 91 -16.735 -6.165 7.919 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.941 -6.459 8.063 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -16.295 -5.612 6.889 1.00 0.00 O ATOM 0 H GLU A 91 -13.190 -6.458 10.432 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.258 -5.588 12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.016 -5.954 10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.925 -4.696 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.749 -6.342 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.840 -7.600 9.216 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.991 -8.326 11.659 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.974 -9.779 11.831 1.00 0.00 C ATOM 1458 C HIS A 92 -14.407 -10.195 13.235 1.00 0.00 C ATOM 1459 O HIS A 92 -15.219 -11.105 13.393 1.00 0.00 O ATOM 1460 CB HIS A 92 -12.582 -10.343 11.513 1.00 0.00 C ATOM 1461 CG HIS A 92 -12.494 -11.843 11.603 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -11.874 -12.501 12.645 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -12.949 -12.810 10.771 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.952 -13.808 12.448 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -12.600 -14.018 11.320 1.00 0.00 N ATOM 0 H HIS A 92 -13.074 -7.910 11.494 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.696 -10.196 11.129 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.296 -10.032 10.508 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.858 -9.905 12.200 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.487 -12.658 9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.553 -14.571 13.100 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.809 -14.932 10.919 1.00 0.00 H new ATOM 1473 N GLY A 93 -13.878 -9.530 14.239 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.210 -9.891 15.599 1.00 0.00 C ATOM 1475 C GLY A 93 -14.298 -8.701 16.519 1.00 0.00 C ATOM 1476 O GLY A 93 -14.087 -8.829 17.728 1.00 0.00 O ATOM 0 H GLY A 93 -13.228 -8.750 14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.163 -10.420 15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.458 -10.583 15.979 1.00 0.00 H new ATOM 1480 N THR A 94 -14.605 -7.545 15.967 1.00 0.00 N ATOM 1481 CA THR A 94 -14.713 -6.350 16.773 1.00 0.00 C ATOM 1482 C THR A 94 -16.147 -6.180 17.293 1.00 0.00 C ATOM 1483 O THR A 94 -17.038 -5.705 16.581 1.00 0.00 O ATOM 1484 CB THR A 94 -14.265 -5.093 15.987 1.00 0.00 C ATOM 1485 OG1 THR A 94 -12.929 -5.293 15.476 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.271 -3.863 16.887 1.00 0.00 C ATOM 0 H THR A 94 -14.783 -7.409 14.972 1.00 0.00 H new ATOM 0 HA THR A 94 -14.043 -6.462 17.626 1.00 0.00 H new ATOM 0 HB THR A 94 -14.963 -4.935 15.165 1.00 0.00 H new ATOM 0 HG1 THR A 94 -12.830 -4.817 14.625 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.953 -2.992 16.314 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.278 -3.698 17.270 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.586 -4.019 17.721 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.357 -6.606 18.531 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.651 -6.510 19.179 1.00 0.00 C ATOM 1496 C ILE A 95 -17.578 -5.550 20.350 1.00 0.00 C ATOM 1497 O ILE A 95 -16.707 -5.676 21.212 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.150 -7.907 19.661 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.408 -8.824 18.457 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.398 -7.782 20.531 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.822 -10.234 18.830 1.00 0.00 C ATOM 0 H ILE A 95 -15.632 -7.028 19.112 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.366 -6.132 18.448 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.368 -8.354 20.275 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.187 -8.380 17.836 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.504 -8.871 17.849 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.720 -8.773 20.850 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.171 -7.174 21.407 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.195 -7.309 19.958 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.985 -10.817 17.924 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -18.035 -10.699 19.424 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.744 -10.201 19.411 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.478 -4.589 20.374 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.494 -3.602 21.428 1.00 0.00 C ATOM 1515 C TYR A 96 -19.930 -3.303 21.830 1.00 0.00 C ATOM 1516 O TYR A 96 -20.818 -3.245 20.976 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.788 -2.321 20.968 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.238 -1.491 22.109 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.959 -1.724 22.593 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.992 -0.486 22.702 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.443 -0.983 23.635 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.480 0.262 23.748 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.205 0.007 24.209 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.693 0.742 25.256 1.00 0.00 O ATOM 0 H TYR A 96 -19.209 -4.472 19.672 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.960 -3.996 22.293 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.972 -2.587 20.296 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.489 -1.715 20.394 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.356 -2.500 22.145 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.990 -0.286 22.342 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.445 -1.179 23.999 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.075 1.041 24.201 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.719 0.802 25.168 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.153 -3.148 23.134 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.478 -2.840 23.683 1.00 0.00 C ATOM 1536 C CYS A 97 -22.395 -4.068 23.601 1.00 0.00 C ATOM 1537 O CYS A 97 -23.619 -3.962 23.704 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.103 -1.629 22.958 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.471 -0.843 23.843 1.00 0.00 S ATOM 0 H CYS A 97 -19.423 -3.232 23.841 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.362 -2.576 24.734 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.325 -0.885 22.785 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.459 -1.952 21.980 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.270 -1.757 24.307 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.787 -5.235 23.426 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.539 -6.469 23.383 1.00 0.00 C ATOM 1547 C GLY A 98 -22.909 -6.903 21.979 1.00 0.00 C ATOM 1548 O GLY A 98 -23.556 -7.942 21.798 1.00 0.00 O ATOM 0 H GLY A 98 -20.779 -5.346 23.313 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.955 -7.258 23.856 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.450 -6.351 23.970 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.511 -6.125 20.986 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.821 -6.450 19.600 1.00 0.00 C ATOM 1554 C ALA A 99 -21.693 -6.031 18.674 1.00 0.00 C ATOM 1555 O ALA A 99 -20.923 -5.126 18.991 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.125 -5.789 19.178 1.00 0.00 C ATOM 0 H ALA A 99 -21.974 -5.267 21.111 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.935 -7.531 19.526 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.342 -6.042 18.140 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.935 -6.144 19.815 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.033 -4.707 19.276 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.575 -6.715 17.553 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.577 -6.377 16.566 1.00 0.00 C ATOM 1564 C ALA A 100 -20.931 -5.065 15.900 1.00 0.00 C ATOM 1565 O ALA A 100 -22.098 -4.813 15.579 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.456 -7.484 15.525 1.00 0.00 C ATOM 0 H ALA A 100 -22.162 -7.511 17.305 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.614 -6.271 17.066 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.699 -7.211 14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.167 -8.414 16.015 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.415 -7.620 15.025 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.941 -4.230 15.701 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.162 -2.961 15.059 1.00 0.00 C ATOM 1574 C ILE A 101 -19.990 -3.098 13.560 1.00 0.00 C ATOM 1575 O ILE A 101 -19.086 -3.789 13.088 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.234 -1.845 15.610 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.757 -2.218 15.436 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.554 -1.562 17.073 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.798 -1.109 15.821 1.00 0.00 C ATOM 0 H ILE A 101 -18.975 -4.408 15.975 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.186 -2.661 15.282 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.416 -0.937 15.035 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.541 -3.099 16.040 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.581 -2.493 14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.895 -0.777 17.444 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.591 -1.238 17.163 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.406 -2.468 17.660 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.772 -1.447 15.671 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.986 -0.233 15.200 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.945 -0.849 16.869 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.865 -2.467 12.819 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.797 -2.551 11.389 1.00 0.00 C ATOM 1593 C GLY A 102 -20.119 -1.352 10.802 1.00 0.00 C ATOM 1594 O GLY A 102 -20.577 -0.224 10.981 1.00 0.00 O ATOM 0 H GLY A 102 -21.627 -1.894 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.257 -3.453 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.804 -2.638 10.980 1.00 0.00 H new ATOM 1598 N CYS A 103 -19.024 -1.588 10.123 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.268 -0.533 9.502 1.00 0.00 C ATOM 1600 C CYS A 103 -17.968 -0.893 8.056 1.00 0.00 C ATOM 1601 O CYS A 103 -17.313 -1.901 7.781 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.966 -0.293 10.277 1.00 0.00 C ATOM 1603 SG CYS A 103 -15.944 1.056 9.639 1.00 0.00 S ATOM 0 H CYS A 103 -18.632 -2.520 9.986 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.855 0.385 9.518 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.212 -0.083 11.318 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.379 -1.211 10.267 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.688 0.738 9.747 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.476 -0.091 7.142 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.256 -0.301 5.717 1.00 0.00 C ATOM 1611 C VAL A 104 -18.048 1.039 5.025 1.00 0.00 C ATOM 1612 O VAL A 104 -18.446 2.076 5.554 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.454 -1.038 5.032 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.620 -2.451 5.567 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.742 -0.249 5.198 1.00 0.00 C ATOM 0 H VAL A 104 -19.051 0.723 7.360 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.370 -0.929 5.620 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.228 -1.110 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.461 -2.932 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.711 -3.021 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.807 -2.414 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.560 -0.782 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.963 -0.132 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.628 0.734 4.741 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.413 1.043 3.840 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.212 2.267 3.068 1.00 0.00 C ATOM 1627 C PRO A 105 -18.543 2.883 2.654 1.00 0.00 C ATOM 1628 O PRO A 105 -19.535 2.168 2.468 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.432 1.805 1.829 1.00 0.00 C ATOM 1630 CG PRO A 105 -15.878 0.469 2.190 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.841 -0.132 3.169 1.00 0.00 C ATOM 0 HA PRO A 105 -16.688 3.032 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.082 1.739 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.636 2.507 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.776 -0.162 1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.885 0.565 2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.608 -0.723 2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.338 -0.794 3.874 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.563 4.203 2.533 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.766 4.928 2.149 1.00 0.00 C ATOM 1641 C TYR A 106 -20.358 4.391 0.858 1.00 0.00 C ATOM 1642 O TYR A 106 -19.667 4.277 -0.156 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.458 6.422 1.995 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.587 7.228 1.375 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.649 7.689 2.139 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.578 7.529 0.017 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.669 8.426 1.565 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.592 8.261 -0.558 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.634 8.707 0.216 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.640 9.448 -0.360 1.00 0.00 O ATOM 0 H TYR A 106 -17.751 4.798 2.697 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.501 4.786 2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.226 6.837 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.565 6.536 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.680 7.470 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.760 7.182 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.490 8.780 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.568 8.484 -1.615 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.461 9.555 -1.317 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.635 4.058 0.921 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.379 3.589 -0.227 1.00 0.00 C ATOM 1662 C LYS A 107 -23.667 4.372 -0.352 1.00 0.00 C ATOM 1663 O LYS A 107 -24.442 4.452 0.606 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.686 2.088 -0.113 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.473 1.192 -0.265 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.841 -0.274 -0.126 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.622 -1.167 -0.298 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.019 -1.032 -1.652 1.00 0.00 N ATOM 0 H LYS A 107 -22.186 4.107 1.778 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.770 3.742 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.147 1.895 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.419 1.820 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.014 1.362 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.730 1.454 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.287 -0.448 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.594 -0.535 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.878 -0.914 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.907 -2.206 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.351 -1.813 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.770 -1.064 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.514 -0.125 -1.718 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.908 4.937 -1.525 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.111 5.734 -1.758 1.00 0.00 C ATOM 1684 C HIS A 108 -26.361 4.874 -1.560 1.00 0.00 C ATOM 1685 O HIS A 108 -27.354 5.310 -0.963 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.099 6.327 -3.174 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.220 7.289 -3.437 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.358 6.950 -4.141 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.375 8.586 -3.081 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -28.160 7.999 -4.207 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.588 9.001 -3.571 1.00 0.00 N ATOM 0 H HIS A 108 -23.289 4.861 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.127 6.553 -1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.149 6.837 -3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.152 5.514 -3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.674 9.183 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.121 8.029 -4.699 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.983 9.935 -3.461 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.293 3.650 -2.055 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.390 2.702 -1.951 1.00 0.00 C ATOM 1701 C GLU A 109 -27.657 2.333 -0.488 1.00 0.00 C ATOM 1702 O GLU A 109 -28.810 2.255 -0.055 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.050 1.448 -2.749 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.121 0.376 -2.709 1.00 0.00 C ATOM 1705 CD GLU A 109 -27.703 -0.868 -3.459 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -26.906 -1.651 -2.914 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.160 -1.067 -4.604 1.00 0.00 O ATOM 0 H GLU A 109 -25.474 3.285 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.291 3.163 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -26.872 1.729 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.119 1.030 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.338 0.119 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.042 0.767 -3.140 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.581 2.130 0.269 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.691 1.754 1.677 1.00 0.00 C ATOM 1716 C LEU A 110 -27.388 2.852 2.470 1.00 0.00 C ATOM 1717 O LEU A 110 -28.243 2.579 3.305 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.314 1.472 2.271 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.300 1.006 3.728 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.961 -0.359 3.867 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.880 0.972 4.258 1.00 0.00 C ATOM 0 H LEU A 110 -25.623 2.220 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.288 0.844 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.825 0.712 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.713 2.378 2.193 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.873 1.719 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.939 -0.669 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.995 -0.299 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.423 -1.087 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.887 0.639 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.285 0.283 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.446 1.970 4.201 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.028 4.096 2.181 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.636 5.241 2.842 1.00 0.00 C ATOM 1735 C ILE A 111 -29.121 5.281 2.540 1.00 0.00 C ATOM 1736 O ILE A 111 -29.939 5.558 3.419 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.982 6.573 2.407 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.467 6.531 2.644 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.610 7.752 3.149 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.072 6.325 4.093 1.00 0.00 C ATOM 0 H ILE A 111 -26.316 4.337 1.491 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.477 5.125 3.914 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.160 6.709 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.039 5.728 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.029 7.463 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.135 8.679 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.676 7.795 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.467 7.624 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.985 6.307 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.468 7.141 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.478 5.379 4.450 1.00 0.00 H new ATOM 1752 N SER A 112 -29.467 5.003 1.295 1.00 0.00 N ATOM 1753 CA SER A 112 -30.855 4.974 0.882 1.00 0.00 C ATOM 1754 C SER A 112 -31.635 3.934 1.705 1.00 0.00 C ATOM 1755 O SER A 112 -32.746 4.202 2.164 1.00 0.00 O ATOM 1756 CB SER A 112 -30.951 4.660 -0.614 1.00 0.00 C ATOM 1757 OG SER A 112 -30.170 5.573 -1.382 1.00 0.00 O ATOM 0 H SER A 112 -28.801 4.794 0.551 1.00 0.00 H new ATOM 0 HA SER A 112 -31.297 5.954 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.610 3.641 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.992 4.710 -0.933 1.00 0.00 H new ATOM 0 HG SER A 112 -29.219 5.369 -1.265 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.040 2.759 1.903 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.668 1.725 2.718 1.00 0.00 C ATOM 1765 C GLU A 113 -31.773 2.175 4.179 1.00 0.00 C ATOM 1766 O GLU A 113 -32.814 2.010 4.812 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.880 0.415 2.634 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.494 -0.719 3.448 1.00 0.00 C ATOM 1769 CD GLU A 113 -30.677 -1.988 3.400 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -29.669 -2.082 4.129 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -31.047 -2.907 2.648 1.00 0.00 O ATOM 0 H GLU A 113 -30.133 2.502 1.514 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.672 1.557 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.813 0.107 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.862 0.590 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.599 -0.400 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -32.497 -0.925 3.075 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.694 2.761 4.694 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.642 3.215 6.079 1.00 0.00 C ATOM 1780 C LEU A 114 -31.658 4.317 6.367 1.00 0.00 C ATOM 1781 O LEU A 114 -32.314 4.310 7.413 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.245 3.699 6.423 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.164 2.622 6.433 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.821 3.240 6.721 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.486 1.541 7.456 1.00 0.00 C ATOM 0 H LEU A 114 -29.838 2.933 4.166 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.899 2.360 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.959 4.470 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.274 4.170 7.405 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.132 2.155 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.057 2.463 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.586 3.975 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.847 3.730 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.701 0.784 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.547 1.986 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.441 1.077 7.207 1.00 0.00 H new ATOM 1797 N SER A 115 -31.788 5.261 5.450 1.00 0.00 N ATOM 1798 CA SER A 115 -32.710 6.357 5.636 1.00 0.00 C ATOM 1799 C SER A 115 -34.164 5.887 5.577 1.00 0.00 C ATOM 1800 O SER A 115 -34.996 6.328 6.363 1.00 0.00 O ATOM 1801 CB SER A 115 -32.440 7.455 4.605 1.00 0.00 C ATOM 1802 OG SER A 115 -32.359 6.918 3.293 1.00 0.00 O ATOM 0 H SER A 115 -31.267 5.286 4.574 1.00 0.00 H new ATOM 0 HA SER A 115 -32.549 6.770 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.234 8.201 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.509 7.966 4.850 1.00 0.00 H new ATOM 0 HG SER A 115 -31.471 6.527 3.154 1.00 0.00 H new