USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 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 18 TYR OH : rot 150:sc= -0.762 USER MOD Set 1.2: A 75 THR OG1 : rot 112:sc= 0.697 USER MOD Single : A 11 ASN : amide:sc= -0.319 K(o=-0.32,f=-3!) USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.697 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0.707) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.408 USER MOD Single : A 32 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.63) USER MOD Single : A 67 SER OG : rot 108:sc= 1.18 USER MOD Single : A 70 HIS : no HD1:sc= 0.928 K(o=0.93,f=-3.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.998 K(o=-1,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.295 K(o=0.3,f=-2.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.3) USER MOD Single : A 94 THR OG1 : rot 137:sc= 1.17 USER MOD Single : A 96 TYR OH : rot 30:sc= -2.54! USER MOD Single : A 97 CYS SG : rot -32:sc= -0.017 USER MOD Single : A 103 CYS SG : rot -148:sc= -0.929 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0801) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 90:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.534 7.621 0.710 1.00 0.00 N ATOM 131 CA ASN A 11 -12.831 8.028 1.940 1.00 0.00 C ATOM 132 C ASN A 11 -13.786 8.314 3.098 1.00 0.00 C ATOM 133 O ASN A 11 -13.373 8.815 4.153 1.00 0.00 O ATOM 134 CB ASN A 11 -11.910 9.239 1.677 1.00 0.00 C ATOM 135 CG ASN A 11 -12.639 10.461 1.127 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.812 10.692 1.416 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.945 11.240 0.320 1.00 0.00 N ATOM 0 HA ASN A 11 -12.215 7.181 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.412 9.513 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.131 8.945 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.379 12.068 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.974 11.015 0.104 1.00 0.00 H new ATOM 144 N ALA A 12 -15.046 7.988 2.905 1.00 0.00 N ATOM 145 CA ALA A 12 -16.044 8.152 3.937 1.00 0.00 C ATOM 146 C ALA A 12 -16.667 6.812 4.252 1.00 0.00 C ATOM 147 O ALA A 12 -16.948 6.023 3.343 1.00 0.00 O ATOM 148 CB ALA A 12 -17.110 9.146 3.505 1.00 0.00 C ATOM 0 H ALA A 12 -15.405 7.603 2.031 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.564 8.545 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.850 9.253 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.647 10.113 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.598 8.786 2.599 1.00 0.00 H new ATOM 154 N VAL A 13 -16.881 6.549 5.524 1.00 0.00 N ATOM 155 CA VAL A 13 -17.452 5.286 5.948 1.00 0.00 C ATOM 156 C VAL A 13 -18.698 5.506 6.773 1.00 0.00 C ATOM 157 O VAL A 13 -18.892 6.574 7.357 1.00 0.00 O ATOM 158 CB VAL A 13 -16.451 4.451 6.787 1.00 0.00 C ATOM 159 CG1 VAL A 13 -15.238 4.067 5.965 1.00 0.00 C ATOM 160 CG2 VAL A 13 -16.037 5.206 8.042 1.00 0.00 C ATOM 0 H VAL A 13 -16.668 7.194 6.285 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.698 4.738 5.038 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.953 3.533 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.553 3.482 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.553 3.474 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.734 4.969 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.334 4.601 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.562 6.146 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.918 5.413 8.650 1.00 0.00 H new ATOM 170 N VAL A 14 -19.537 4.505 6.805 1.00 0.00 N ATOM 171 CA VAL A 14 -20.737 4.531 7.600 1.00 0.00 C ATOM 172 C VAL A 14 -20.599 3.523 8.721 1.00 0.00 C ATOM 173 O VAL A 14 -20.555 2.317 8.475 1.00 0.00 O ATOM 174 CB VAL A 14 -21.986 4.181 6.757 1.00 0.00 C ATOM 175 CG1 VAL A 14 -23.244 4.238 7.610 1.00 0.00 C ATOM 176 CG2 VAL A 14 -22.106 5.114 5.568 1.00 0.00 C ATOM 0 H VAL A 14 -19.407 3.642 6.277 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.867 5.539 7.995 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.872 3.163 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -24.110 3.989 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -23.161 3.524 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.363 5.243 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.990 4.852 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.194 6.142 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.219 5.020 4.941 1.00 0.00 H new ATOM 186 N VAL A 15 -20.499 4.008 9.938 1.00 0.00 N ATOM 187 CA VAL A 15 -20.369 3.132 11.077 1.00 0.00 C ATOM 188 C VAL A 15 -21.716 2.990 11.757 1.00 0.00 C ATOM 189 O VAL A 15 -22.367 3.988 12.073 1.00 0.00 O ATOM 190 CB VAL A 15 -19.333 3.659 12.096 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.993 2.581 13.118 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.076 4.144 11.388 1.00 0.00 C ATOM 0 H VAL A 15 -20.505 5.003 10.163 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.020 2.165 10.716 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.773 4.506 12.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.262 2.970 13.827 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.897 2.288 13.652 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.576 1.713 12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.362 4.510 12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.632 3.320 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.333 4.950 10.701 1.00 0.00 H new ATOM 202 N PHE A 16 -22.139 1.762 11.966 1.00 0.00 N ATOM 203 CA PHE A 16 -23.426 1.493 12.577 1.00 0.00 C ATOM 204 C PHE A 16 -23.357 0.268 13.475 1.00 0.00 C ATOM 205 O PHE A 16 -22.400 -0.505 13.409 1.00 0.00 O ATOM 206 CB PHE A 16 -24.508 1.317 11.494 1.00 0.00 C ATOM 207 CG PHE A 16 -24.230 0.208 10.504 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.474 0.452 9.367 1.00 0.00 C ATOM 209 CD2 PHE A 16 -24.726 -1.072 10.709 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.219 -0.554 8.455 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.474 -2.081 9.799 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.718 -1.821 8.672 1.00 0.00 C ATOM 0 H PHE A 16 -21.607 0.927 11.720 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.695 2.348 13.198 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.463 1.121 11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.615 2.255 10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.079 1.442 9.192 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -25.315 -1.282 11.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.630 -0.348 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.868 -3.072 9.969 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.518 -2.610 7.962 1.00 0.00 H new ATOM 222 N GLY A 17 -24.372 0.100 14.316 1.00 0.00 N ATOM 223 CA GLY A 17 -24.410 -1.038 15.216 1.00 0.00 C ATOM 224 C GLY A 17 -24.449 -0.620 16.673 1.00 0.00 C ATOM 225 O GLY A 17 -24.706 -1.440 17.557 1.00 0.00 O ATOM 0 H GLY A 17 -25.169 0.732 14.390 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.286 -1.646 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.534 -1.664 15.043 1.00 0.00 H new ATOM 229 N TYR A 18 -24.214 0.653 16.922 1.00 0.00 N ATOM 230 CA TYR A 18 -24.221 1.177 18.277 1.00 0.00 C ATOM 231 C TYR A 18 -25.455 2.031 18.531 1.00 0.00 C ATOM 232 O TYR A 18 -26.135 2.441 17.591 1.00 0.00 O ATOM 233 CB TYR A 18 -22.930 1.946 18.577 1.00 0.00 C ATOM 234 CG TYR A 18 -22.535 2.966 17.534 1.00 0.00 C ATOM 235 CD1 TYR A 18 -23.085 4.245 17.518 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.596 2.652 16.568 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.706 5.167 16.570 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.219 3.569 15.623 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.772 4.820 15.625 1.00 0.00 C ATOM 240 OH TYR A 18 -21.387 5.725 14.684 1.00 0.00 O ATOM 0 H TYR A 18 -24.015 1.347 16.202 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.265 0.331 18.963 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.042 2.453 19.535 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.116 1.230 18.689 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.820 4.517 18.261 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.153 1.667 16.559 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -23.140 6.156 16.569 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.485 3.304 14.876 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.459 5.549 14.421 1.00 0.00 H new ATOM 250 N ARG A 19 -25.754 2.278 19.805 1.00 0.00 N ATOM 251 CA ARG A 19 -26.967 3.000 20.173 1.00 0.00 C ATOM 252 C ARG A 19 -26.806 4.523 20.140 1.00 0.00 C ATOM 253 O ARG A 19 -27.097 5.160 19.138 1.00 0.00 O ATOM 254 CB ARG A 19 -27.466 2.553 21.552 1.00 0.00 C ATOM 255 CG ARG A 19 -28.788 3.185 21.953 1.00 0.00 C ATOM 256 CD ARG A 19 -29.313 2.630 23.269 1.00 0.00 C ATOM 257 NE ARG A 19 -28.621 3.196 24.435 1.00 0.00 N ATOM 258 CZ ARG A 19 -28.011 2.478 25.387 1.00 0.00 C ATOM 259 NH1 ARG A 19 -27.840 1.166 25.239 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.550 3.088 26.473 1.00 0.00 N ATOM 0 H ARG A 19 -25.176 1.990 20.594 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.708 2.748 19.414 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.575 1.468 21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.713 2.800 22.300 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.662 4.264 22.040 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.524 3.013 21.168 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -30.380 2.838 23.347 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.199 1.546 23.274 1.00 0.00 H new ATOM 0 HE ARG A 19 -28.604 4.212 24.526 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.175 0.700 24.396 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -27.374 0.627 25.969 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.662 4.096 26.578 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.084 2.548 27.202 1.00 0.00 H new ATOM 274 N GLU A 20 -26.337 5.091 21.248 1.00 0.00 N ATOM 275 CA GLU A 20 -26.254 6.542 21.393 1.00 0.00 C ATOM 276 C GLU A 20 -25.364 6.926 22.571 1.00 0.00 C ATOM 277 O GLU A 20 -24.292 7.488 22.394 1.00 0.00 O ATOM 278 CB GLU A 20 -27.659 7.111 21.613 1.00 0.00 C ATOM 279 CG GLU A 20 -27.699 8.602 21.897 1.00 0.00 C ATOM 280 CD GLU A 20 -29.084 9.073 22.270 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.496 8.856 23.434 1.00 0.00 O ATOM 282 OE2 GLU A 20 -29.766 9.661 21.413 1.00 0.00 O ATOM 0 H GLU A 20 -26.008 4.568 22.060 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.819 6.955 20.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -28.262 6.906 20.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.124 6.583 22.445 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.007 8.835 22.707 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -27.356 9.147 21.018 1.00 0.00 H new ATOM 289 N ALA A 21 -25.810 6.585 23.779 1.00 0.00 N ATOM 290 CA ALA A 21 -25.083 6.937 25.001 1.00 0.00 C ATOM 291 C ALA A 21 -23.837 6.072 25.189 1.00 0.00 C ATOM 292 O ALA A 21 -23.176 6.133 26.220 1.00 0.00 O ATOM 293 CB ALA A 21 -25.999 6.821 26.211 1.00 0.00 C ATOM 0 H ALA A 21 -26.672 6.065 23.939 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.752 7.971 24.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.446 7.085 27.112 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.845 7.498 26.093 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.362 5.797 26.295 1.00 0.00 H new ATOM 299 N ILE A 22 -23.519 5.289 24.182 1.00 0.00 N ATOM 300 CA ILE A 22 -22.359 4.410 24.222 1.00 0.00 C ATOM 301 C ILE A 22 -21.082 5.146 23.814 1.00 0.00 C ATOM 302 O ILE A 22 -20.003 4.550 23.764 1.00 0.00 O ATOM 303 CB ILE A 22 -22.566 3.185 23.291 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.846 3.626 21.836 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.700 2.315 23.811 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.598 3.940 21.011 1.00 0.00 C ATOM 0 H ILE A 22 -24.051 5.240 23.313 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.250 4.069 25.252 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.645 2.602 23.291 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.408 2.838 21.334 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.484 4.510 21.855 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.835 1.459 23.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.458 1.963 24.814 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.621 2.898 23.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.893 4.240 20.005 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.044 4.751 21.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.967 3.053 20.955 1.00 0.00 H new ATOM 318 N THR A 23 -21.207 6.441 23.532 1.00 0.00 N ATOM 319 CA THR A 23 -20.085 7.223 23.037 1.00 0.00 C ATOM 320 C THR A 23 -18.915 7.227 24.010 1.00 0.00 C ATOM 321 O THR A 23 -17.794 7.008 23.605 1.00 0.00 O ATOM 322 CB THR A 23 -20.489 8.668 22.744 1.00 0.00 C ATOM 323 OG1 THR A 23 -21.704 8.673 21.995 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.398 9.362 21.934 1.00 0.00 C ATOM 0 H THR A 23 -22.074 6.967 23.639 1.00 0.00 H new ATOM 0 HA THR A 23 -19.771 6.741 22.111 1.00 0.00 H new ATOM 0 HB THR A 23 -20.629 9.199 23.686 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.052 9.587 21.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -19.695 10.391 21.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.467 9.358 22.500 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.252 8.833 20.992 1.00 0.00 H new ATOM 332 N LYS A 24 -19.189 7.444 25.297 1.00 0.00 N ATOM 333 CA LYS A 24 -18.138 7.471 26.315 1.00 0.00 C ATOM 334 C LYS A 24 -17.263 6.214 26.233 1.00 0.00 C ATOM 335 O LYS A 24 -16.053 6.259 26.475 1.00 0.00 O ATOM 336 CB LYS A 24 -18.752 7.563 27.713 1.00 0.00 C ATOM 337 CG LYS A 24 -19.702 8.735 27.926 1.00 0.00 C ATOM 338 CD LYS A 24 -19.076 10.047 27.494 1.00 0.00 C ATOM 339 CE LYS A 24 -19.677 11.227 28.243 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.153 11.274 28.141 1.00 0.00 N ATOM 0 H LYS A 24 -20.129 7.604 25.659 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.519 8.348 26.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.290 6.637 27.918 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.946 7.632 28.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.620 8.567 27.363 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.979 8.793 28.979 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.001 10.013 27.670 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.220 10.184 26.422 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.391 11.170 29.293 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.260 12.154 27.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.477 12.257 28.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.449 10.905 27.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.572 10.693 28.895 1.00 0.00 H new ATOM 354 N GLN A 25 -17.892 5.111 25.896 1.00 0.00 N ATOM 355 CA GLN A 25 -17.223 3.835 25.796 1.00 0.00 C ATOM 356 C GLN A 25 -16.416 3.709 24.495 1.00 0.00 C ATOM 357 O GLN A 25 -15.192 3.588 24.520 1.00 0.00 O ATOM 358 CB GLN A 25 -18.260 2.720 25.878 1.00 0.00 C ATOM 359 CG GLN A 25 -18.952 2.646 27.214 1.00 0.00 C ATOM 360 CD GLN A 25 -20.037 1.595 27.266 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.702 1.312 26.270 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.218 1.008 28.426 1.00 0.00 N ATOM 0 H GLN A 25 -18.889 5.074 25.682 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.517 3.755 26.623 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.006 2.870 25.098 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.774 1.766 25.675 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.213 2.435 27.987 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.386 3.619 27.445 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.644 1.273 29.227 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.932 0.287 28.527 1.00 0.00 H new ATOM 371 N ILE A 26 -17.112 3.768 23.370 1.00 0.00 N ATOM 372 CA ILE A 26 -16.505 3.560 22.058 1.00 0.00 C ATOM 373 C ILE A 26 -15.509 4.675 21.680 1.00 0.00 C ATOM 374 O ILE A 26 -14.558 4.443 20.920 1.00 0.00 O ATOM 375 CB ILE A 26 -17.605 3.419 20.974 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.101 2.573 19.821 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.071 4.785 20.469 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.194 2.138 18.876 1.00 0.00 C ATOM 0 H ILE A 26 -18.113 3.961 23.337 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.932 2.634 22.113 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.462 2.923 21.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.353 3.138 19.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.602 1.690 20.219 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.842 4.649 19.710 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.478 5.361 21.300 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.226 5.320 20.036 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.764 1.537 18.075 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.930 1.546 19.419 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.678 3.017 18.450 1.00 0.00 H new ATOM 390 N LEU A 27 -15.720 5.871 22.222 1.00 0.00 N ATOM 391 CA LEU A 27 -14.866 7.018 21.934 1.00 0.00 C ATOM 392 C LEU A 27 -13.439 6.767 22.384 1.00 0.00 C ATOM 393 O LEU A 27 -12.516 7.215 21.755 1.00 0.00 O ATOM 394 CB LEU A 27 -15.410 8.290 22.601 1.00 0.00 C ATOM 395 CG LEU A 27 -14.665 9.592 22.292 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.737 9.919 20.805 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.227 10.736 23.120 1.00 0.00 C ATOM 0 H LEU A 27 -16.483 6.071 22.869 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.867 7.162 20.854 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.451 8.413 22.304 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.402 8.140 23.681 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.617 9.456 22.558 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.201 10.848 20.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.282 9.111 20.232 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.779 10.033 20.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.686 11.653 22.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.283 10.869 22.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.115 10.507 24.180 1.00 0.00 H new ATOM 409 N ALA A 28 -13.276 6.024 23.467 1.00 0.00 N ATOM 410 CA ALA A 28 -11.951 5.768 24.033 1.00 0.00 C ATOM 411 C ALA A 28 -10.970 5.221 22.990 1.00 0.00 C ATOM 412 O ALA A 28 -9.788 5.560 23.005 1.00 0.00 O ATOM 413 CB ALA A 28 -12.059 4.807 25.202 1.00 0.00 C ATOM 0 H ALA A 28 -14.043 5.585 23.976 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.557 6.723 24.381 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.067 4.624 25.615 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.698 5.240 25.971 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.489 3.866 24.861 1.00 0.00 H new ATOM 419 N TYR A 29 -11.457 4.386 22.086 1.00 0.00 N ATOM 420 CA TYR A 29 -10.594 3.811 21.063 1.00 0.00 C ATOM 421 C TYR A 29 -10.535 4.677 19.800 1.00 0.00 C ATOM 422 O TYR A 29 -9.458 4.943 19.268 1.00 0.00 O ATOM 423 CB TYR A 29 -11.048 2.389 20.697 1.00 0.00 C ATOM 424 CG TYR A 29 -10.163 1.739 19.654 1.00 0.00 C ATOM 425 CD1 TYR A 29 -8.943 1.171 20.002 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.537 1.718 18.315 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.121 0.603 19.045 1.00 0.00 C ATOM 428 CE2 TYR A 29 -9.727 1.149 17.354 1.00 0.00 C ATOM 429 CZ TYR A 29 -8.517 0.594 17.722 1.00 0.00 C ATOM 430 OH TYR A 29 -7.693 0.038 16.763 1.00 0.00 O ATOM 0 H TYR A 29 -12.433 4.093 22.038 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.591 3.770 21.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.055 1.772 21.596 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.072 2.424 20.326 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.632 1.173 21.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.480 2.156 18.022 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.174 0.169 19.331 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.037 1.138 16.320 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.119 0.111 15.883 1.00 0.00 H new ATOM 440 N PHE A 30 -11.689 5.128 19.339 1.00 0.00 N ATOM 441 CA PHE A 30 -11.773 5.853 18.073 1.00 0.00 C ATOM 442 C PHE A 30 -11.449 7.344 18.194 1.00 0.00 C ATOM 443 O PHE A 30 -11.366 8.042 17.186 1.00 0.00 O ATOM 444 CB PHE A 30 -13.131 5.641 17.406 1.00 0.00 C ATOM 445 CG PHE A 30 -13.350 4.235 16.925 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.884 3.838 15.680 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.014 3.311 17.713 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.076 2.546 15.231 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.209 2.015 17.269 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.741 1.632 16.025 1.00 0.00 C ATOM 0 H PHE A 30 -12.582 5.008 19.818 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.997 5.428 17.436 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.919 5.901 18.113 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.222 6.324 16.561 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.364 4.548 15.054 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.384 3.605 18.684 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.707 2.251 14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.727 1.302 17.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.895 0.622 15.676 1.00 0.00 H new ATOM 460 N ALA A 31 -11.278 7.830 19.415 1.00 0.00 N ATOM 461 CA ALA A 31 -10.953 9.243 19.650 1.00 0.00 C ATOM 462 C ALA A 31 -9.674 9.641 18.945 1.00 0.00 C ATOM 463 O ALA A 31 -9.478 10.802 18.624 1.00 0.00 O ATOM 464 CB ALA A 31 -10.829 9.529 21.134 1.00 0.00 C ATOM 0 H ALA A 31 -11.358 7.271 20.265 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.771 9.835 19.241 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.588 10.582 21.283 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.773 9.299 21.629 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.037 8.912 21.559 1.00 0.00 H new ATOM 470 N GLN A 32 -8.804 8.669 18.709 1.00 0.00 N ATOM 471 CA GLN A 32 -7.556 8.916 18.011 1.00 0.00 C ATOM 472 C GLN A 32 -7.832 9.413 16.595 1.00 0.00 C ATOM 473 O GLN A 32 -7.088 10.225 16.050 1.00 0.00 O ATOM 474 CB GLN A 32 -6.719 7.648 17.972 1.00 0.00 C ATOM 475 CG GLN A 32 -5.365 7.825 17.307 1.00 0.00 C ATOM 476 CD GLN A 32 -4.478 6.625 17.504 1.00 0.00 C ATOM 477 OE1 GLN A 32 -3.675 6.277 16.640 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.603 5.996 18.648 1.00 0.00 N ATOM 0 H GLN A 32 -8.943 7.699 18.993 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.000 9.686 18.547 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.569 7.292 18.991 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.274 6.874 17.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.505 8.001 16.240 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.874 8.709 17.714 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.283 6.320 19.336 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.021 5.183 18.849 1.00 0.00 H new ATOM 487 N PHE A 33 -8.916 8.918 16.012 1.00 0.00 N ATOM 488 CA PHE A 33 -9.315 9.307 14.673 1.00 0.00 C ATOM 489 C PHE A 33 -9.962 10.691 14.681 1.00 0.00 C ATOM 490 O PHE A 33 -9.604 11.556 13.884 1.00 0.00 O ATOM 491 CB PHE A 33 -10.283 8.281 14.088 1.00 0.00 C ATOM 492 CG PHE A 33 -9.691 6.905 13.942 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.016 6.540 12.789 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.814 5.977 14.961 1.00 0.00 C ATOM 495 CE1 PHE A 33 -8.476 5.274 12.657 1.00 0.00 C ATOM 496 CE2 PHE A 33 -9.278 4.711 14.838 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.607 4.360 13.684 1.00 0.00 C ATOM 0 H PHE A 33 -9.537 8.240 16.454 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.421 9.346 14.050 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.165 8.222 14.726 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.619 8.628 13.111 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.910 7.252 11.984 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.337 6.247 15.866 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.953 5.000 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.383 3.998 15.642 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.185 3.371 13.584 1.00 0.00 H new ATOM 507 N GLY A 34 -10.911 10.904 15.592 1.00 0.00 N ATOM 508 CA GLY A 34 -11.564 12.195 15.665 1.00 0.00 C ATOM 509 C GLY A 34 -12.944 12.155 16.309 1.00 0.00 C ATOM 510 O GLY A 34 -13.164 11.451 17.295 1.00 0.00 O ATOM 0 H GLY A 34 -11.233 10.214 16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.931 12.880 16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.656 12.602 14.658 1.00 0.00 H new ATOM 514 N GLU A 35 -13.862 12.923 15.733 1.00 0.00 N ATOM 515 CA GLU A 35 -15.232 13.082 16.239 1.00 0.00 C ATOM 516 C GLU A 35 -16.168 11.989 15.698 1.00 0.00 C ATOM 517 O GLU A 35 -15.964 11.490 14.591 1.00 0.00 O ATOM 518 CB GLU A 35 -15.748 14.462 15.818 1.00 0.00 C ATOM 519 CG GLU A 35 -15.694 14.688 14.304 1.00 0.00 C ATOM 520 CD GLU A 35 -16.051 16.099 13.888 1.00 0.00 C ATOM 521 OE1 GLU A 35 -17.212 16.491 14.049 1.00 0.00 O ATOM 522 OE2 GLU A 35 -15.172 16.808 13.369 1.00 0.00 O ATOM 0 H GLU A 35 -13.678 13.464 14.888 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.217 12.991 17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.776 14.579 16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.157 15.231 16.315 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.691 14.456 13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.376 13.991 13.817 1.00 0.00 H new ATOM 529 N ILE A 36 -17.184 11.607 16.494 1.00 0.00 N ATOM 530 CA ILE A 36 -18.169 10.615 16.041 1.00 0.00 C ATOM 531 C ILE A 36 -19.598 11.023 16.426 1.00 0.00 C ATOM 532 O ILE A 36 -20.364 11.484 15.591 1.00 0.00 O ATOM 533 CB ILE A 36 -17.897 9.181 16.581 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.465 8.747 16.280 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.872 8.197 15.940 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.153 7.357 16.767 1.00 0.00 C ATOM 0 H ILE A 36 -17.341 11.964 17.437 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.066 10.592 14.956 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.037 9.189 17.662 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.296 8.795 15.204 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.774 9.451 16.743 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.679 7.194 16.320 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.894 8.487 16.183 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.740 8.207 14.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.120 7.109 16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.291 7.310 17.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.822 6.644 16.285 1.00 0.00 H new ATOM 548 N LEU A 37 -19.948 10.856 17.698 1.00 0.00 N ATOM 549 CA LEU A 37 -21.304 11.168 18.152 1.00 0.00 C ATOM 550 C LEU A 37 -21.395 12.544 18.803 1.00 0.00 C ATOM 551 O LEU A 37 -20.386 13.190 19.077 1.00 0.00 O ATOM 552 CB LEU A 37 -21.857 10.106 19.115 1.00 0.00 C ATOM 553 CG LEU A 37 -22.068 8.688 18.549 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.816 7.843 18.712 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.253 8.012 19.224 1.00 0.00 C ATOM 0 H LEU A 37 -19.322 10.511 18.426 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.918 11.170 17.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.178 10.034 19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.813 10.463 19.500 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.280 8.781 17.484 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.993 6.848 18.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.989 8.312 18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.567 7.762 19.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.385 7.012 18.811 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.069 7.940 20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.155 8.599 19.050 1.00 0.00 H new ATOM 567 N GLU A 38 -22.631 12.970 19.038 1.00 0.00 N ATOM 568 CA GLU A 38 -22.943 14.271 19.634 1.00 0.00 C ATOM 569 C GLU A 38 -22.539 14.327 21.113 1.00 0.00 C ATOM 570 O GLU A 38 -22.095 15.367 21.616 1.00 0.00 O ATOM 571 CB GLU A 38 -24.439 14.523 19.513 1.00 0.00 C ATOM 572 CG GLU A 38 -24.941 14.558 18.078 1.00 0.00 C ATOM 573 CD GLU A 38 -26.448 14.648 17.994 1.00 0.00 C ATOM 574 OE1 GLU A 38 -27.121 14.335 18.993 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.966 15.019 16.923 1.00 0.00 O ATOM 0 H GLU A 38 -23.459 12.416 18.818 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.378 15.036 19.101 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.974 13.744 20.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.679 15.471 19.995 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.500 15.411 17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.604 13.662 17.557 1.00 0.00 H new ATOM 582 N ASP A 39 -22.711 13.209 21.800 1.00 0.00 N ATOM 583 CA ASP A 39 -22.404 13.126 23.223 1.00 0.00 C ATOM 584 C ASP A 39 -20.920 12.933 23.439 1.00 0.00 C ATOM 585 O ASP A 39 -20.373 11.890 23.131 1.00 0.00 O ATOM 586 CB ASP A 39 -23.185 11.983 23.875 1.00 0.00 C ATOM 587 CG ASP A 39 -22.919 11.877 25.364 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.427 12.725 26.129 1.00 0.00 O ATOM 589 OD2 ASP A 39 -22.202 10.946 25.780 1.00 0.00 O ATOM 0 H ASP A 39 -23.063 12.342 21.395 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.703 14.064 23.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.252 12.134 23.709 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.918 11.043 23.393 1.00 0.00 H new ATOM 594 N LEU A 40 -20.274 13.950 23.964 1.00 0.00 N ATOM 595 CA LEU A 40 -18.848 13.905 24.196 1.00 0.00 C ATOM 596 C LEU A 40 -18.536 14.252 25.638 1.00 0.00 C ATOM 597 O LEU A 40 -18.182 13.382 26.431 1.00 0.00 O ATOM 598 CB LEU A 40 -18.125 14.883 23.256 1.00 0.00 C ATOM 599 CG LEU A 40 -18.268 14.608 21.754 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.636 15.730 20.952 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.637 13.273 21.389 1.00 0.00 C ATOM 0 H LEU A 40 -20.718 14.825 24.240 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.498 12.893 23.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.495 15.888 23.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.064 14.878 23.506 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.330 14.561 21.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.745 15.522 19.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.131 16.671 21.190 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.577 15.804 21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.750 13.098 20.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.577 13.289 21.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.131 12.474 21.942 1.00 0.00 H new ATOM 1035 N SER A 67 -18.738 17.640 12.222 1.00 0.00 N ATOM 1036 CA SER A 67 -18.391 18.200 10.925 1.00 0.00 C ATOM 1037 C SER A 67 -19.063 17.443 9.770 1.00 0.00 C ATOM 1038 O SER A 67 -19.499 18.048 8.790 1.00 0.00 O ATOM 1039 CB SER A 67 -16.872 18.189 10.763 1.00 0.00 C ATOM 1040 OG SER A 67 -16.246 18.822 11.871 1.00 0.00 O ATOM 0 HA SER A 67 -18.760 19.225 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.518 17.162 10.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.595 18.701 9.841 1.00 0.00 H new ATOM 0 HG SER A 67 -15.814 18.145 12.433 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.142 16.137 9.899 1.00 0.00 N ATOM 1047 CA ARG A 68 -19.739 15.288 8.878 1.00 0.00 C ATOM 1048 C ARG A 68 -21.187 14.932 9.214 1.00 0.00 C ATOM 1049 O ARG A 68 -21.611 15.029 10.361 1.00 0.00 O ATOM 1050 CB ARG A 68 -18.892 14.034 8.644 1.00 0.00 C ATOM 1051 CG ARG A 68 -17.521 14.333 8.038 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.647 14.846 6.605 1.00 0.00 C ATOM 1053 NE ARG A 68 -16.357 15.288 6.053 1.00 0.00 N ATOM 1054 CZ ARG A 68 -16.097 15.407 4.740 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.012 15.063 3.835 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -14.916 15.864 4.338 1.00 0.00 N ATOM 0 H ARG A 68 -18.796 15.628 10.713 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.758 15.856 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.756 13.514 9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.433 13.357 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.005 15.075 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.911 13.430 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.058 14.058 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.354 15.676 6.580 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.611 15.519 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.919 14.706 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.806 15.157 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.209 16.124 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.717 15.955 3.342 1.00 0.00 H new ATOM 1070 N GLU A 69 -21.937 14.541 8.193 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.358 14.230 8.332 1.00 0.00 C ATOM 1072 C GLU A 69 -23.540 12.908 9.094 1.00 0.00 C ATOM 1073 O GLU A 69 -22.906 11.900 8.773 1.00 0.00 O ATOM 1074 CB GLU A 69 -23.976 14.140 6.922 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.475 14.385 6.850 1.00 0.00 C ATOM 1076 CD GLU A 69 -26.301 13.189 7.238 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.355 12.220 6.450 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -26.917 13.222 8.310 1.00 0.00 O ATOM 0 H GLU A 69 -21.580 14.430 7.244 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.860 15.012 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.476 14.863 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -23.767 13.151 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.730 15.219 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.737 14.683 5.835 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.400 12.930 10.109 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.624 11.762 10.958 1.00 0.00 C ATOM 1087 C HIS A 70 -26.098 11.366 10.987 1.00 0.00 C ATOM 1088 O HIS A 70 -26.990 12.222 10.970 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.129 12.037 12.394 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.975 13.025 13.169 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.995 14.379 12.902 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.829 12.843 14.209 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.819 14.981 13.740 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.337 14.077 14.541 1.00 0.00 N ATOM 0 H HIS A 70 -24.955 13.747 10.365 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.057 10.934 10.533 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.099 11.095 12.942 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.106 12.411 12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.065 11.904 14.687 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.032 16.040 13.763 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.007 14.261 15.288 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.342 10.073 11.058 1.00 0.00 N ATOM 1103 CA GLY A 71 -27.688 9.564 11.123 1.00 0.00 C ATOM 1104 C GLY A 71 -28.098 9.253 12.543 1.00 0.00 C ATOM 1105 O GLY A 71 -27.460 9.715 13.490 1.00 0.00 O ATOM 0 H GLY A 71 -25.617 9.355 11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.375 10.296 10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -27.766 8.662 10.516 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.162 8.480 12.700 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.661 8.134 14.029 1.00 0.00 C ATOM 1111 C ARG A 72 -28.839 7.040 14.674 1.00 0.00 C ATOM 1112 O ARG A 72 -28.347 7.197 15.784 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.128 7.715 13.965 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.050 8.793 13.426 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.498 8.343 13.449 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.390 9.329 12.839 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.636 9.579 13.256 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -36.119 8.968 14.335 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.397 10.447 12.597 1.00 0.00 N ATOM 0 H ARG A 72 -29.697 8.080 11.929 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.572 9.028 14.646 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.216 6.828 13.338 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.459 7.433 14.964 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.939 9.700 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.761 9.044 12.405 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.591 7.394 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.806 8.165 14.479 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.038 9.861 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.538 8.305 14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -37.070 9.163 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.031 10.923 11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.347 10.637 12.916 1.00 0.00 H new ATOM 1133 N THR A 73 -28.690 5.945 13.982 1.00 0.00 N ATOM 1134 CA THR A 73 -27.962 4.824 14.510 1.00 0.00 C ATOM 1135 C THR A 73 -26.689 4.564 13.720 1.00 0.00 C ATOM 1136 O THR A 73 -26.008 3.551 13.916 1.00 0.00 O ATOM 1137 CB THR A 73 -28.840 3.577 14.524 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.524 3.447 13.266 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.853 3.633 15.659 1.00 0.00 C ATOM 0 H THR A 73 -29.066 5.804 13.044 1.00 0.00 H new ATOM 0 HA THR A 73 -27.676 5.067 15.533 1.00 0.00 H new ATOM 0 HB THR A 73 -28.198 2.710 14.681 1.00 0.00 H new ATOM 0 HG1 THR A 73 -30.085 2.644 13.280 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.465 2.731 15.645 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.328 3.700 16.612 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.492 4.507 15.534 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.371 5.484 12.830 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.185 5.380 12.017 1.00 0.00 C ATOM 1149 C TRP A 74 -24.492 6.718 11.930 1.00 0.00 C ATOM 1150 O TRP A 74 -25.133 7.758 11.952 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.519 4.848 10.610 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.599 5.609 9.883 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.938 5.339 9.900 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.431 6.749 9.018 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.611 6.233 9.109 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.714 7.108 8.555 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.328 7.502 8.592 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.925 8.181 7.691 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.541 8.570 7.734 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.828 8.897 7.292 1.00 0.00 C ATOM 0 H TRP A 74 -26.928 6.320 12.654 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.510 4.667 12.490 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.612 4.867 10.006 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.824 3.805 10.695 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.400 4.537 10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.620 6.245 8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.331 7.255 8.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.917 8.438 7.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.700 9.160 7.401 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.959 9.733 6.621 1.00 0.00 H new ATOM 1171 N THR A 75 -23.197 6.686 11.856 1.00 0.00 N ATOM 1172 CA THR A 75 -22.412 7.888 11.760 1.00 0.00 C ATOM 1173 C THR A 75 -21.463 7.797 10.568 1.00 0.00 C ATOM 1174 O THR A 75 -20.728 6.815 10.425 1.00 0.00 O ATOM 1175 CB THR A 75 -21.613 8.099 13.065 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.521 8.166 14.175 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.782 9.363 13.028 1.00 0.00 C ATOM 0 H THR A 75 -22.649 5.826 11.860 1.00 0.00 H new ATOM 0 HA THR A 75 -23.078 8.739 11.613 1.00 0.00 H new ATOM 0 HB THR A 75 -20.933 7.254 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.402 7.376 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.238 9.469 13.967 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.073 9.308 12.202 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.436 10.224 12.888 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.499 8.800 9.704 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.623 8.828 8.550 1.00 0.00 C ATOM 1187 C LYS A 76 -19.339 9.556 8.907 1.00 0.00 C ATOM 1188 O LYS A 76 -19.357 10.745 9.229 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.309 9.510 7.362 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.451 9.573 6.105 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.180 10.273 4.969 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.392 11.748 5.276 1.00 0.00 C ATOM 1193 NZ LYS A 76 -22.055 12.461 4.158 1.00 0.00 N ATOM 0 H LYS A 76 -22.125 9.602 9.782 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.389 7.804 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.232 8.977 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.589 10.523 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.522 10.100 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.179 8.563 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.607 10.170 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -22.144 9.792 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.997 11.847 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.430 12.216 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.180 13.462 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.467 12.390 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.985 12.032 3.975 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.238 8.846 8.856 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.959 9.415 9.214 1.00 0.00 C ATOM 1209 C LEU A 77 -16.053 9.527 8.006 1.00 0.00 C ATOM 1210 O LEU A 77 -15.872 8.563 7.257 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.283 8.576 10.299 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.064 8.430 11.607 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.313 7.538 12.581 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.326 9.792 12.225 1.00 0.00 C ATOM 0 H LEU A 77 -18.201 7.868 8.569 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.138 10.418 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.093 7.581 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.313 9.019 10.524 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.023 7.963 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.884 7.446 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.176 6.551 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.339 7.976 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.882 9.669 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.377 10.286 12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.907 10.400 11.532 1.00 0.00 H new ATOM 1226 N THR A 78 -15.503 10.700 7.809 1.00 0.00 N ATOM 1227 CA THR A 78 -14.581 10.925 6.731 1.00 0.00 C ATOM 1228 C THR A 78 -13.186 11.141 7.302 1.00 0.00 C ATOM 1229 O THR A 78 -12.923 12.151 7.953 1.00 0.00 O ATOM 1230 CB THR A 78 -14.997 12.149 5.889 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.335 11.964 5.404 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.054 12.340 4.705 1.00 0.00 C ATOM 0 H THR A 78 -15.683 11.519 8.390 1.00 0.00 H new ATOM 0 HA THR A 78 -14.586 10.051 6.080 1.00 0.00 H new ATOM 0 HB THR A 78 -14.947 13.036 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.600 12.742 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.368 13.209 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.039 12.494 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.081 11.453 4.072 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.306 10.190 7.066 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.948 10.272 7.585 1.00 0.00 C ATOM 1242 C TYR A 79 -10.047 11.002 6.606 1.00 0.00 C ATOM 1243 O TYR A 79 -9.012 11.550 6.993 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.390 8.872 7.864 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.253 8.050 8.798 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.227 8.260 10.169 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.106 7.072 8.301 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.024 7.514 11.018 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.905 6.327 9.142 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.859 6.552 10.500 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.653 5.809 11.344 1.00 0.00 O ATOM 0 H TYR A 79 -12.502 9.351 6.520 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.977 10.830 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.281 8.339 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.393 8.967 8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.575 9.017 10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.144 6.892 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.991 7.686 12.084 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.563 5.572 8.738 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.184 5.174 10.819 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.458 10.996 5.329 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.705 11.612 4.225 1.00 0.00 C ATOM 1263 C ALA A 80 -8.429 10.831 3.923 1.00 0.00 C ATOM 1264 O ALA A 80 -8.270 10.290 2.830 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.399 13.087 4.505 1.00 0.00 C ATOM 0 H ALA A 80 -11.330 10.560 5.030 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.337 11.573 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.842 13.508 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.333 13.635 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.804 13.169 5.415 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.542 10.755 4.898 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.293 10.032 4.745 1.00 0.00 C ATOM 1273 C ASN A 81 -6.539 8.541 4.825 1.00 0.00 C ATOM 1274 O ASN A 81 -7.194 8.051 5.752 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.284 10.446 5.821 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.872 11.909 5.727 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.565 12.543 6.739 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.853 12.451 4.521 1.00 0.00 N ATOM 0 H ASN A 81 -7.666 11.190 5.812 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.879 10.278 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.715 10.259 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.396 9.819 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.577 13.426 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.114 11.894 3.707 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.999 7.820 3.868 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.188 6.382 3.790 1.00 0.00 C ATOM 1287 C HIS A 82 -5.309 5.652 4.791 1.00 0.00 C ATOM 1288 O HIS A 82 -5.506 4.470 5.061 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.944 5.882 2.360 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.539 6.047 1.846 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.827 7.221 1.950 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.730 5.181 1.192 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -2.645 7.070 1.378 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -2.560 5.841 0.910 1.00 0.00 N ATOM 0 H HIS A 82 -5.419 8.208 3.124 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.223 6.163 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.207 4.825 2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.622 6.409 1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.963 4.157 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.878 7.827 1.306 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.758 5.446 0.420 1.00 0.00 H new ATOM 1302 N SER A 83 -4.354 6.366 5.343 1.00 0.00 N ATOM 1303 CA SER A 83 -3.446 5.805 6.335 1.00 0.00 C ATOM 1304 C SER A 83 -4.213 5.280 7.559 1.00 0.00 C ATOM 1305 O SER A 83 -3.958 4.173 8.034 1.00 0.00 O ATOM 1306 CB SER A 83 -2.451 6.870 6.775 1.00 0.00 C ATOM 1307 OG SER A 83 -1.776 7.427 5.660 1.00 0.00 O ATOM 0 H SER A 83 -4.180 7.347 5.123 1.00 0.00 H new ATOM 0 HA SER A 83 -2.918 4.968 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.973 7.657 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.726 6.434 7.462 1.00 0.00 H new ATOM 0 HG SER A 83 -1.144 8.110 5.968 1.00 0.00 H new ATOM 1313 N SER A 84 -5.161 6.069 8.046 1.00 0.00 N ATOM 1314 CA SER A 84 -5.951 5.692 9.213 1.00 0.00 C ATOM 1315 C SER A 84 -7.248 4.992 8.796 1.00 0.00 C ATOM 1316 O SER A 84 -7.913 4.346 9.610 1.00 0.00 O ATOM 1317 CB SER A 84 -6.263 6.936 10.041 1.00 0.00 C ATOM 1318 OG SER A 84 -5.072 7.644 10.348 1.00 0.00 O ATOM 0 H SER A 84 -5.403 6.977 7.650 1.00 0.00 H new ATOM 0 HA SER A 84 -5.372 4.992 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.946 7.584 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.769 6.648 10.962 1.00 0.00 H new ATOM 0 HG SER A 84 -5.291 8.439 10.877 1.00 0.00 H new ATOM 1324 N TYR A 85 -7.578 5.111 7.517 1.00 0.00 N ATOM 1325 CA TYR A 85 -8.810 4.555 6.963 1.00 0.00 C ATOM 1326 C TYR A 85 -8.867 3.032 7.126 1.00 0.00 C ATOM 1327 O TYR A 85 -9.869 2.486 7.579 1.00 0.00 O ATOM 1328 CB TYR A 85 -8.915 4.936 5.480 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.135 4.397 4.768 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.325 5.106 4.765 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.091 3.185 4.088 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.436 4.627 4.105 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.199 2.696 3.430 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.369 3.422 3.440 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.477 2.947 2.779 1.00 0.00 O ATOM 0 H TYR A 85 -6.999 5.596 6.831 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.654 4.972 7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.916 6.023 5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.024 4.578 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.383 6.049 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.173 2.617 4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.355 5.194 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.150 1.750 2.910 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.264 2.087 2.361 1.00 0.00 H new ATOM 1345 N LEU A 86 -7.779 2.361 6.773 1.00 0.00 N ATOM 1346 CA LEU A 86 -7.723 0.900 6.831 1.00 0.00 C ATOM 1347 C LEU A 86 -7.873 0.369 8.253 1.00 0.00 C ATOM 1348 O LEU A 86 -8.519 -0.649 8.472 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.443 0.360 6.187 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.470 0.253 4.659 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.438 1.625 4.005 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.327 -0.607 4.161 1.00 0.00 C ATOM 0 H LEU A 86 -6.921 2.802 6.443 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.575 0.537 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.612 1.004 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.238 -0.628 6.600 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.408 -0.225 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.458 1.512 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.306 2.201 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.527 2.147 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.366 -0.669 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.379 -0.164 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.413 -1.607 4.585 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.274 1.060 9.209 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.358 0.650 10.612 1.00 0.00 C ATOM 1366 C ARG A 87 -8.812 0.626 11.101 1.00 0.00 C ATOM 1367 O ARG A 87 -9.232 -0.316 11.780 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.521 1.577 11.505 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.539 1.184 12.977 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.710 2.132 13.822 1.00 0.00 C ATOM 1371 NE ARG A 87 -5.800 1.814 15.251 1.00 0.00 N ATOM 1372 CZ ARG A 87 -5.102 2.437 16.207 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -4.221 3.375 15.885 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -5.281 2.106 17.480 1.00 0.00 N ATOM 0 H ARG A 87 -6.725 1.904 9.046 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.956 -0.361 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.490 1.577 11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.892 2.597 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.567 1.178 13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.156 0.169 13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.668 2.084 13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.047 3.155 13.656 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.437 1.069 15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.075 3.623 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.690 3.849 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.950 1.377 17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.749 2.580 18.210 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.572 1.654 10.743 1.00 0.00 N ATOM 1389 CA ALA A 88 -10.971 1.767 11.161 1.00 0.00 C ATOM 1390 C ALA A 88 -11.899 0.937 10.273 1.00 0.00 C ATOM 1391 O ALA A 88 -13.052 0.715 10.611 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.402 3.225 11.162 1.00 0.00 C ATOM 0 H ALA A 88 -9.245 2.426 10.162 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.047 1.370 12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.444 3.296 11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.776 3.789 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.295 3.637 10.158 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.376 0.478 9.147 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.150 -0.286 8.157 1.00 0.00 C ATOM 1400 C LEU A 89 -12.586 -1.671 8.691 1.00 0.00 C ATOM 1401 O LEU A 89 -13.319 -2.403 8.020 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.335 -0.444 6.863 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.060 -1.088 5.672 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.245 -0.238 5.232 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.097 -1.306 4.516 1.00 0.00 C ATOM 0 H LEU A 89 -10.401 0.620 8.885 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.060 0.276 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.985 0.542 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.451 -1.040 7.087 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.441 -2.058 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.742 -0.716 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.949 -0.139 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.894 0.750 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.628 -1.763 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.683 -0.348 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.288 -1.964 4.835 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.104 -2.041 9.872 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.440 -3.338 10.456 1.00 0.00 C ATOM 1419 C ARG A 90 -13.935 -3.442 10.823 1.00 0.00 C ATOM 1420 O ARG A 90 -14.402 -2.846 11.789 1.00 0.00 O ATOM 1421 CB ARG A 90 -11.557 -3.646 11.679 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.636 -2.623 12.804 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.805 -3.063 13.995 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.351 -4.268 14.626 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.642 -5.121 15.369 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.334 -4.946 15.522 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -11.242 -6.161 15.935 1.00 0.00 N ATOM 0 H ARG A 90 -11.483 -1.467 10.442 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.240 -4.088 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.839 -4.622 12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.521 -3.723 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.283 -1.656 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.674 -2.491 13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.781 -3.254 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.764 -2.256 14.727 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.341 -4.469 14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.869 -4.158 15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.795 -5.599 16.090 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.243 -6.307 15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.702 -6.814 16.503 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.668 -4.199 10.021 1.00 0.00 N ATOM 1442 CA GLU A 91 -16.092 -4.443 10.246 1.00 0.00 C ATOM 1443 C GLU A 91 -16.338 -5.904 10.595 1.00 0.00 C ATOM 1444 O GLU A 91 -17.479 -6.355 10.681 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.906 -4.045 9.000 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.160 -4.219 7.674 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.696 -5.634 7.425 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -16.529 -6.486 7.066 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -14.483 -5.902 7.587 1.00 0.00 O ATOM 0 H GLU A 91 -14.295 -4.664 9.193 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.417 -3.830 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.818 -4.642 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.210 -3.003 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.811 -3.910 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.296 -3.554 7.662 1.00 0.00 H new ATOM 1456 N HIS A 92 -15.261 -6.636 10.783 1.00 0.00 N ATOM 1457 CA HIS A 92 -15.336 -8.033 11.107 1.00 0.00 C ATOM 1458 C HIS A 92 -14.597 -8.304 12.403 1.00 0.00 C ATOM 1459 O HIS A 92 -13.569 -7.677 12.679 1.00 0.00 O ATOM 1460 CB HIS A 92 -14.736 -8.877 9.973 1.00 0.00 C ATOM 1461 CG HIS A 92 -13.257 -8.686 9.769 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -12.309 -9.535 10.298 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -12.565 -7.735 9.095 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.103 -9.113 9.961 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -11.233 -8.023 9.231 1.00 0.00 N ATOM 0 H HIS A 92 -14.310 -6.273 10.714 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.383 -8.308 11.230 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.929 -9.930 10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -15.252 -8.635 9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.987 -6.903 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.170 -9.581 10.237 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.466 -7.482 8.832 1.00 0.00 H new ATOM 1473 N GLY A 93 -15.134 -9.208 13.206 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.494 -9.570 14.453 1.00 0.00 C ATOM 1475 C GLY A 93 -14.428 -8.412 15.422 1.00 0.00 C ATOM 1476 O GLY A 93 -13.477 -8.291 16.192 1.00 0.00 O ATOM 0 H GLY A 93 -16.007 -9.700 13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.039 -10.395 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.485 -9.929 14.250 1.00 0.00 H new ATOM 1480 N THR A 94 -15.423 -7.546 15.371 1.00 0.00 N ATOM 1481 CA THR A 94 -15.447 -6.386 16.226 1.00 0.00 C ATOM 1482 C THR A 94 -16.836 -6.180 16.825 1.00 0.00 C ATOM 1483 O THR A 94 -17.702 -5.538 16.226 1.00 0.00 O ATOM 1484 CB THR A 94 -15.017 -5.123 15.456 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.855 -5.424 14.659 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.676 -3.999 16.424 1.00 0.00 C ATOM 0 H THR A 94 -16.223 -7.629 14.744 1.00 0.00 H new ATOM 0 HA THR A 94 -14.738 -6.559 17.035 1.00 0.00 H new ATOM 0 HB THR A 94 -15.841 -4.805 14.817 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.955 -5.023 13.770 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.374 -3.115 15.863 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.551 -3.763 17.030 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.859 -4.313 17.073 1.00 0.00 H new ATOM 1494 N ILE A 95 -17.047 -6.747 17.997 1.00 0.00 N ATOM 1495 CA ILE A 95 -18.314 -6.624 18.692 1.00 0.00 C ATOM 1496 C ILE A 95 -18.130 -5.820 19.964 1.00 0.00 C ATOM 1497 O ILE A 95 -17.276 -6.137 20.791 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.914 -8.019 19.027 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -19.232 -8.781 17.736 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -20.167 -7.883 19.892 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -19.627 -10.228 17.954 1.00 0.00 C ATOM 0 H ILE A 95 -16.350 -7.303 18.492 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.012 -6.107 18.033 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.174 -8.583 19.595 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -20.041 -8.269 17.214 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.360 -8.748 17.083 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -20.567 -8.873 20.112 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.912 -7.379 20.824 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.917 -7.300 19.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -19.836 -10.697 16.992 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -18.811 -10.758 18.447 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -20.518 -10.272 18.580 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.918 -4.772 20.114 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.817 -3.925 21.278 1.00 0.00 C ATOM 1515 C TYR A 96 -20.202 -3.575 21.797 1.00 0.00 C ATOM 1516 O TYR A 96 -21.129 -3.369 21.014 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.037 -2.648 20.943 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.625 -1.859 22.164 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.451 -2.162 22.831 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.409 -0.824 22.655 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -16.064 -1.462 23.952 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -18.029 -0.115 23.778 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.854 -0.442 24.423 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.468 0.254 25.547 1.00 0.00 O ATOM 0 H TYR A 96 -19.633 -4.491 19.443 1.00 0.00 H new ATOM 0 HA TYR A 96 -18.279 -4.467 22.056 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.146 -2.914 20.374 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.649 -2.015 20.300 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.826 -2.963 22.465 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.330 -0.569 22.151 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.144 -1.714 24.458 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.647 0.689 24.148 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.490 0.265 25.605 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.340 -3.551 23.122 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.598 -3.200 23.805 1.00 0.00 C ATOM 1536 C CYS A 97 -22.678 -4.285 23.639 1.00 0.00 C ATOM 1537 O CYS A 97 -23.663 -4.306 24.376 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.124 -1.831 23.333 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.469 -1.158 24.339 1.00 0.00 S ATOM 0 H CYS A 97 -19.579 -3.776 23.763 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.369 -3.134 24.869 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.298 -1.120 23.330 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.469 -1.924 22.303 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.191 -2.133 24.806 1.00 0.00 H new ATOM 1545 N GLY A 98 -22.482 -5.189 22.696 1.00 0.00 N ATOM 1546 CA GLY A 98 -23.442 -6.253 22.489 1.00 0.00 C ATOM 1547 C GLY A 98 -23.671 -6.555 21.026 1.00 0.00 C ATOM 1548 O GLY A 98 -24.157 -7.634 20.681 1.00 0.00 O ATOM 0 H GLY A 98 -21.677 -5.207 22.070 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.093 -7.155 22.992 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.390 -5.977 22.952 1.00 0.00 H new ATOM 1552 N ALA A 99 -23.313 -5.619 20.164 1.00 0.00 N ATOM 1553 CA ALA A 99 -23.500 -5.798 18.737 1.00 0.00 C ATOM 1554 C ALA A 99 -22.226 -5.487 17.981 1.00 0.00 C ATOM 1555 O ALA A 99 -21.360 -4.760 18.477 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.639 -4.927 18.236 1.00 0.00 C ATOM 0 H ALA A 99 -22.892 -4.728 20.428 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.755 -6.842 18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.765 -5.074 17.163 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.560 -5.201 18.751 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.411 -3.880 18.434 1.00 0.00 H new ATOM 1562 N ALA A 100 -22.095 -6.060 16.801 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.941 -5.802 15.963 1.00 0.00 C ATOM 1564 C ALA A 100 -21.035 -4.424 15.359 1.00 0.00 C ATOM 1565 O ALA A 100 -22.094 -4.025 14.867 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.821 -6.849 14.861 1.00 0.00 C ATOM 0 H ALA A 100 -22.774 -6.708 16.401 1.00 0.00 H new ATOM 0 HA ALA A 100 -20.049 -5.859 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.947 -6.632 14.247 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.714 -7.837 15.308 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.716 -6.827 14.239 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.947 -3.692 15.394 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.925 -2.387 14.800 1.00 0.00 C ATOM 1574 C ILE A 101 -19.455 -2.495 13.362 1.00 0.00 C ATOM 1575 O ILE A 101 -18.359 -2.986 13.082 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.051 -1.378 15.600 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.602 -1.873 15.730 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.657 -1.128 16.976 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.672 -0.866 16.376 1.00 0.00 C ATOM 0 H ILE A 101 -19.070 -3.981 15.827 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.941 -1.992 14.824 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.032 -0.438 15.048 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.592 -2.792 16.316 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.222 -2.123 14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.035 -0.420 17.524 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.660 -0.717 16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.710 -2.067 17.527 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.667 -1.284 16.434 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.652 0.046 15.779 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.027 -0.634 17.380 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.294 -2.068 12.453 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.975 -2.181 11.063 1.00 0.00 C ATOM 1593 C GLY A 102 -19.457 -0.898 10.497 1.00 0.00 C ATOM 1594 O GLY A 102 -20.189 0.082 10.407 1.00 0.00 O ATOM 0 H GLY A 102 -21.198 -1.641 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.229 -2.964 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.864 -2.487 10.512 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.194 -0.896 10.144 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.572 0.250 9.531 1.00 0.00 C ATOM 1600 C CYS A 103 -17.201 -0.090 8.095 1.00 0.00 C ATOM 1601 O CYS A 103 -16.235 -0.807 7.843 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.332 0.667 10.322 1.00 0.00 C ATOM 1603 SG CYS A 103 -15.503 2.141 9.695 1.00 0.00 S ATOM 0 H CYS A 103 -17.569 -1.691 10.275 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.271 1.087 9.532 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.620 0.841 11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.622 -0.160 10.323 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.225 2.045 9.912 1.00 0.00 H new ATOM 1609 N VAL A 104 -17.992 0.403 7.166 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.788 0.129 5.753 1.00 0.00 C ATOM 1611 C VAL A 104 -17.875 1.416 4.948 1.00 0.00 C ATOM 1612 O VAL A 104 -18.411 2.409 5.435 1.00 0.00 O ATOM 1613 CB VAL A 104 -18.841 -0.881 5.220 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -18.581 -2.271 5.765 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.246 -0.430 5.583 1.00 0.00 C ATOM 0 H VAL A 104 -18.793 1.003 7.364 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.795 -0.307 5.640 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.754 -0.915 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.331 -2.960 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.590 -2.603 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -18.635 -2.251 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -20.969 -1.150 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.338 -0.363 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.440 0.548 5.142 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.350 1.424 3.703 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.410 2.604 2.838 1.00 0.00 C ATOM 1627 C PRO A 105 -18.851 3.041 2.584 1.00 0.00 C ATOM 1628 O PRO A 105 -19.767 2.214 2.605 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.740 2.140 1.530 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.733 0.651 1.605 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.630 0.314 3.062 1.00 0.00 C ATOM 0 HA PRO A 105 -16.918 3.468 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.294 2.488 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.728 2.535 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.642 0.234 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.893 0.236 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.087 -0.649 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.593 0.260 3.393 1.00 0.00 H new ATOM 1639 N TYR A 106 -19.021 4.347 2.341 1.00 0.00 N ATOM 1640 CA TYR A 106 -20.333 5.000 2.187 1.00 0.00 C ATOM 1641 C TYR A 106 -21.397 4.119 1.502 1.00 0.00 C ATOM 1642 O TYR A 106 -22.355 3.717 2.152 1.00 0.00 O ATOM 1643 CB TYR A 106 -20.168 6.341 1.452 1.00 0.00 C ATOM 1644 CG TYR A 106 -21.450 7.133 1.315 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.952 7.860 2.386 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -22.153 7.159 0.119 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -23.119 8.588 2.273 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -23.322 7.883 -0.006 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.803 8.595 1.073 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.975 9.318 0.952 1.00 0.00 O ATOM 0 H TYR A 106 -18.238 4.993 2.244 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.712 5.176 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.435 6.947 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.763 6.151 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.419 7.856 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.779 6.603 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.495 9.148 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.857 7.892 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.329 9.218 0.044 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.208 3.813 0.206 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.169 2.974 -0.560 1.00 0.00 C ATOM 1662 C LYS A 107 -23.560 3.630 -0.682 1.00 0.00 C ATOM 1663 O LYS A 107 -24.202 3.968 0.306 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.303 1.573 0.053 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.081 0.686 -0.115 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.289 -0.655 0.574 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.098 -1.576 0.384 1.00 0.00 C ATOM 1668 NZ LYS A 107 -19.968 -2.027 -1.024 1.00 0.00 N ATOM 0 H LYS A 107 -20.405 4.129 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.756 2.882 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.517 1.676 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.161 1.075 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.883 0.529 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.205 1.183 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.458 -0.494 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.185 -1.133 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.187 -1.059 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.202 -2.444 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.242 -2.769 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.879 -2.406 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.692 -1.222 -1.622 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.025 3.785 -1.907 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.324 4.408 -2.158 1.00 0.00 C ATOM 1684 C HIS A 108 -26.474 3.545 -1.650 1.00 0.00 C ATOM 1685 O HIS A 108 -27.402 4.048 -1.016 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.510 4.701 -3.649 1.00 0.00 C ATOM 1687 CG HIS A 108 -24.733 5.885 -4.134 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -25.328 6.992 -4.700 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -23.399 6.134 -4.147 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -24.394 7.866 -5.036 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -23.220 7.369 -4.710 1.00 0.00 N ATOM 0 H HIS A 108 -23.528 3.491 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.339 5.348 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.212 3.823 -4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.569 4.867 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.622 5.479 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -24.566 8.826 -5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -22.321 7.830 -4.854 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.401 2.248 -1.919 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.461 1.320 -1.522 1.00 0.00 C ATOM 1701 C GLU A 109 -27.500 1.144 -0.003 1.00 0.00 C ATOM 1702 O GLU A 109 -28.570 1.005 0.589 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.268 -0.036 -2.201 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.459 -0.974 -2.051 1.00 0.00 C ATOM 1705 CD GLU A 109 -29.692 -0.452 -2.760 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -29.643 -0.287 -4.002 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -30.716 -0.203 -2.088 1.00 0.00 O ATOM 0 H GLU A 109 -25.621 1.811 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.412 1.745 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.075 0.124 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.383 -0.518 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.200 -1.954 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -28.681 -1.110 -0.993 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.326 1.192 0.616 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.197 0.982 2.052 1.00 0.00 C ATOM 1716 C LEU A 110 -26.981 2.033 2.825 1.00 0.00 C ATOM 1717 O LEU A 110 -27.667 1.717 3.795 1.00 0.00 O ATOM 1718 CB LEU A 110 -24.726 1.035 2.461 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.434 0.812 3.943 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -24.733 -0.627 4.342 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -22.996 1.175 4.265 1.00 0.00 C ATOM 0 H LEU A 110 -25.443 1.376 0.140 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.603 -0.001 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.183 0.284 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.325 2.007 2.174 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.087 1.465 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -24.518 -0.763 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.784 -0.846 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.111 -1.304 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -22.808 1.009 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.323 0.553 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -22.823 2.224 4.025 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.904 3.272 2.371 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.608 4.360 3.019 1.00 0.00 C ATOM 1735 C ILE A 111 -29.110 4.104 2.972 1.00 0.00 C ATOM 1736 O ILE A 111 -29.810 4.274 3.973 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.283 5.710 2.337 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.805 6.059 2.546 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.182 6.830 2.868 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.415 6.266 3.998 1.00 0.00 C ATOM 0 H ILE A 111 -26.359 3.548 1.554 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.281 4.412 4.057 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.476 5.610 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.192 5.261 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.575 6.966 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.930 7.766 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.225 6.584 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -28.032 6.939 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.354 6.509 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.999 7.084 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.611 5.353 4.561 1.00 0.00 H new ATOM 1752 N SER A 112 -29.590 3.664 1.821 1.00 0.00 N ATOM 1753 CA SER A 112 -30.995 3.350 1.645 1.00 0.00 C ATOM 1754 C SER A 112 -31.434 2.230 2.599 1.00 0.00 C ATOM 1755 O SER A 112 -32.514 2.296 3.186 1.00 0.00 O ATOM 1756 CB SER A 112 -31.266 2.956 0.199 1.00 0.00 C ATOM 1757 OG SER A 112 -30.852 3.989 -0.688 1.00 0.00 O ATOM 0 H SER A 112 -29.020 3.516 0.988 1.00 0.00 H new ATOM 0 HA SER A 112 -31.577 4.240 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.737 2.033 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.329 2.758 0.064 1.00 0.00 H new ATOM 0 HG SER A 112 -31.032 3.718 -1.612 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.579 1.218 2.764 1.00 0.00 N ATOM 1764 CA GLU A 113 -30.890 0.090 3.647 1.00 0.00 C ATOM 1765 C GLU A 113 -31.014 0.543 5.104 1.00 0.00 C ATOM 1766 O GLU A 113 -31.932 0.138 5.809 1.00 0.00 O ATOM 1767 CB GLU A 113 -29.827 -1.000 3.521 1.00 0.00 C ATOM 1768 CG GLU A 113 -29.733 -1.613 2.132 1.00 0.00 C ATOM 1769 CD GLU A 113 -28.691 -2.703 2.049 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -27.511 -2.390 1.823 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.050 -3.890 2.204 1.00 0.00 O ATOM 0 H GLU A 113 -29.672 1.156 2.302 1.00 0.00 H new ATOM 0 HA GLU A 113 -31.851 -0.319 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -28.857 -0.580 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.043 -1.789 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.704 -2.021 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.496 -0.832 1.409 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.101 1.401 5.539 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.118 1.923 6.896 1.00 0.00 C ATOM 1780 C LEU A 114 -31.223 2.966 7.091 1.00 0.00 C ATOM 1781 O LEU A 114 -31.515 3.377 8.212 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.755 2.515 7.254 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.680 1.505 7.679 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.330 0.542 6.558 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.441 2.218 8.180 1.00 0.00 C ATOM 0 H LEU A 114 -29.334 1.752 4.965 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.332 1.091 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.384 3.072 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.893 3.233 8.063 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.095 0.915 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.566 -0.155 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -28.221 -0.013 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.952 1.102 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -25.693 1.483 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.038 2.847 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -26.700 2.838 9.039 1.00 0.00 H new ATOM 1797 N SER A 115 -31.840 3.377 5.999 1.00 0.00 N ATOM 1798 CA SER A 115 -32.931 4.337 6.053 1.00 0.00 C ATOM 1799 C SER A 115 -34.264 3.626 6.293 1.00 0.00 C ATOM 1800 O SER A 115 -35.316 4.259 6.340 1.00 0.00 O ATOM 1801 CB SER A 115 -32.988 5.174 4.774 1.00 0.00 C ATOM 1802 OG SER A 115 -31.780 5.897 4.584 1.00 0.00 O ATOM 0 H SER A 115 -31.604 3.060 5.059 1.00 0.00 H new ATOM 0 HA SER A 115 -32.746 5.011 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.165 4.524 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.827 5.868 4.826 1.00 0.00 H new ATOM 0 HG SER A 115 -31.152 5.354 4.063 1.00 0.00 H new