USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot 131:sc= -5.55! USER MOD Set 1.2: A 87 CYS SG : rot 96:sc= -2.29! USER MOD Set 1.3: A 105 CYS SG : rot 122:sc= -13.3! USER MOD Set 1.4: A 108 CYS SG : rot -176:sc= -3.06! USER MOD Set 2.1: A 80 THR OG1 : rot -46:sc= 0.241 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 GLN : amide:sc= 0 X(o=-0.26,f=-0.26) USER MOD Set 3.2: A 63 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.1) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.901 F(o=-0.12,f=0.9) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.866 X(o=-0.87,f=-0.66) USER MOD Single : A 24 TYR OH : rot 19:sc= 0.036 USER MOD Single : A 28 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.0084) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.015) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0.448 (180deg=0.41) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -99:sc= 1.89 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.597 8.686 -10.543 1.00 0.00 N ATOM 97 CA ASN A 8 12.577 9.704 -10.113 1.00 0.00 C ATOM 98 C ASN A 8 11.881 10.724 -9.184 1.00 0.00 C ATOM 99 O ASN A 8 11.649 11.879 -9.558 1.00 0.00 O ATOM 100 CB ASN A 8 13.235 10.394 -11.352 1.00 0.00 C ATOM 101 CG ASN A 8 14.026 9.432 -12.254 1.00 0.00 C ATOM 102 OD1 ASN A 8 15.105 9.918 -12.850 1.00 0.00 O flip ATOM 103 ND2 ASN A 8 13.679 8.258 -12.405 1.00 0.00 N flip ATOM 0 HA ASN A 8 13.381 9.226 -9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.456 10.874 -11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.903 11.182 -11.004 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.844 7.908 -11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.227 7.637 -13.000 1.00 0.00 H new ATOM 110 N VAL A 9 11.549 10.249 -7.957 1.00 0.00 N ATOM 111 CA VAL A 9 10.750 11.003 -6.968 1.00 0.00 C ATOM 112 C VAL A 9 11.483 12.278 -6.527 1.00 0.00 C ATOM 113 O VAL A 9 10.851 13.310 -6.326 1.00 0.00 O ATOM 114 CB VAL A 9 10.421 10.155 -5.675 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.439 10.908 -4.755 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.871 8.755 -6.008 1.00 0.00 C ATOM 0 H VAL A 9 11.832 9.326 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 9 9.816 11.252 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 9 11.366 10.016 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.230 10.303 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.882 11.855 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.510 11.099 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.662 8.217 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.952 8.853 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.609 8.203 -6.591 1.00 0.00 H new ATOM 126 N GLU A 10 12.827 12.169 -6.390 1.00 0.00 N ATOM 127 CA GLU A 10 13.704 13.275 -5.946 1.00 0.00 C ATOM 128 C GLU A 10 13.577 14.485 -6.886 1.00 0.00 C ATOM 129 O GLU A 10 13.527 15.632 -6.425 1.00 0.00 O ATOM 130 CB GLU A 10 15.176 12.794 -5.893 1.00 0.00 C ATOM 131 CG GLU A 10 16.183 13.863 -5.414 1.00 0.00 C ATOM 132 CD GLU A 10 17.636 13.383 -5.466 1.00 0.00 C ATOM 133 OE1 GLU A 10 18.173 13.219 -6.581 1.00 0.00 O ATOM 134 OE2 GLU A 10 18.249 13.159 -4.403 1.00 0.00 O ATOM 0 H GLU A 10 13.334 11.306 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 10 13.392 13.583 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.239 11.931 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.470 12.455 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.079 14.755 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.938 14.153 -4.392 1.00 0.00 H new ATOM 141 N SER A 11 13.513 14.195 -8.204 1.00 0.00 N ATOM 142 CA SER A 11 13.325 15.208 -9.255 1.00 0.00 C ATOM 143 C SER A 11 12.018 15.985 -9.030 1.00 0.00 C ATOM 144 O SER A 11 12.007 17.218 -9.059 1.00 0.00 O ATOM 145 CB SER A 11 13.309 14.530 -10.645 1.00 0.00 C ATOM 146 OG SER A 11 14.463 13.731 -10.827 1.00 0.00 O ATOM 0 H SER A 11 13.591 13.245 -8.566 1.00 0.00 H new ATOM 0 HA SER A 11 14.156 15.912 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.415 13.914 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.260 15.290 -11.425 1.00 0.00 H new ATOM 0 HG SER A 11 14.433 13.310 -11.711 1.00 0.00 H new ATOM 152 N TYR A 12 10.939 15.221 -8.767 1.00 0.00 N ATOM 153 CA TYR A 12 9.590 15.763 -8.520 1.00 0.00 C ATOM 154 C TYR A 12 9.533 16.538 -7.199 1.00 0.00 C ATOM 155 O TYR A 12 8.896 17.576 -7.129 1.00 0.00 O ATOM 156 CB TYR A 12 8.530 14.636 -8.530 1.00 0.00 C ATOM 157 CG TYR A 12 8.414 13.911 -9.882 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.065 14.611 -11.043 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.654 12.538 -10.004 1.00 0.00 C ATOM 160 CE1 TYR A 12 7.960 13.974 -12.260 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.547 11.895 -11.223 1.00 0.00 C ATOM 162 CZ TYR A 12 8.201 12.617 -12.347 1.00 0.00 C ATOM 163 OH TYR A 12 8.077 11.979 -13.563 1.00 0.00 O ATOM 0 H TYR A 12 10.981 14.203 -8.720 1.00 0.00 H new ATOM 0 HA TYR A 12 9.364 16.457 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.778 13.908 -7.757 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.560 15.059 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.874 15.672 -10.983 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.928 11.969 -9.128 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.690 14.534 -13.143 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.733 10.834 -11.295 1.00 0.00 H new ATOM 0 HH TYR A 12 8.281 11.027 -13.455 1.00 0.00 H new ATOM 173 N GLU A 13 10.247 16.034 -6.184 1.00 0.00 N ATOM 174 CA GLU A 13 10.255 16.584 -4.830 1.00 0.00 C ATOM 175 C GLU A 13 10.777 18.031 -4.849 1.00 0.00 C ATOM 176 O GLU A 13 10.070 18.963 -4.457 1.00 0.00 O ATOM 177 CB GLU A 13 11.130 15.646 -3.926 1.00 0.00 C ATOM 178 CG GLU A 13 10.769 15.621 -2.429 1.00 0.00 C ATOM 179 CD GLU A 13 11.120 16.911 -1.675 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.325 17.207 -1.537 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.207 17.620 -1.195 1.00 0.00 O ATOM 0 H GLU A 13 10.846 15.215 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 13 9.246 16.622 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.057 14.630 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.172 15.950 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.700 15.434 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.285 14.785 -1.956 1.00 0.00 H new ATOM 188 N LYS A 14 11.996 18.197 -5.388 1.00 0.00 N ATOM 189 CA LYS A 14 12.695 19.491 -5.415 1.00 0.00 C ATOM 190 C LYS A 14 12.063 20.467 -6.419 1.00 0.00 C ATOM 191 O LYS A 14 12.015 21.655 -6.139 1.00 0.00 O ATOM 192 CB LYS A 14 14.201 19.292 -5.712 1.00 0.00 C ATOM 193 CG LYS A 14 14.518 18.640 -7.069 1.00 0.00 C ATOM 194 CD LYS A 14 16.027 18.387 -7.268 1.00 0.00 C ATOM 195 CE LYS A 14 16.868 19.679 -7.234 1.00 0.00 C ATOM 196 NZ LYS A 14 18.324 19.390 -7.307 1.00 0.00 N ATOM 0 H LYS A 14 12.524 17.437 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 14 12.592 19.937 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.695 20.262 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.633 18.678 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.981 17.694 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.152 19.282 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.381 17.710 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.182 17.885 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.582 20.321 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.652 20.230 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.857 20.283 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.601 18.798 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.534 18.887 -8.192 1.00 0.00 H new ATOM 210 N ILE A 15 11.560 19.965 -7.580 1.00 0.00 N ATOM 211 CA ILE A 15 10.930 20.847 -8.602 1.00 0.00 C ATOM 212 C ILE A 15 9.621 21.450 -8.049 1.00 0.00 C ATOM 213 O ILE A 15 9.286 22.598 -8.337 1.00 0.00 O ATOM 214 CB ILE A 15 10.674 20.122 -9.992 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.414 21.159 -11.138 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.509 19.102 -9.918 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.195 20.548 -12.517 1.00 0.00 C ATOM 0 H ILE A 15 11.577 18.976 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 15 11.642 21.646 -8.808 1.00 0.00 H new ATOM 0 HB ILE A 15 11.584 19.568 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.539 21.755 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.262 21.842 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.373 18.633 -10.893 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.741 18.337 -9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.592 19.617 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.023 21.342 -13.244 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.077 19.976 -12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.328 19.888 -12.489 1.00 0.00 H new ATOM 229 N LEU A 16 8.911 20.666 -7.212 1.00 0.00 N ATOM 230 CA LEU A 16 7.703 21.131 -6.510 1.00 0.00 C ATOM 231 C LEU A 16 8.061 22.201 -5.475 1.00 0.00 C ATOM 232 O LEU A 16 7.319 23.169 -5.316 1.00 0.00 O ATOM 233 CB LEU A 16 6.962 19.942 -5.843 1.00 0.00 C ATOM 234 CG LEU A 16 6.172 18.998 -6.802 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.656 17.738 -6.063 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.018 19.755 -7.494 1.00 0.00 C ATOM 0 H LEU A 16 9.159 19.698 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 16 7.031 21.578 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.693 19.344 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.266 20.342 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 16 6.862 18.659 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.111 17.104 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.501 17.184 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.992 18.038 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.483 19.075 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.332 20.141 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.423 20.584 -8.074 1.00 0.00 H new ATOM 248 N ARG A 17 9.212 22.026 -4.786 1.00 0.00 N ATOM 249 CA ARG A 17 9.708 23.022 -3.820 1.00 0.00 C ATOM 250 C ARG A 17 10.063 24.338 -4.543 1.00 0.00 C ATOM 251 O ARG A 17 9.667 25.401 -4.098 1.00 0.00 O ATOM 252 CB ARG A 17 10.943 22.517 -3.033 1.00 0.00 C ATOM 253 CG ARG A 17 10.773 21.182 -2.275 1.00 0.00 C ATOM 254 CD ARG A 17 12.013 20.822 -1.422 1.00 0.00 C ATOM 255 NE ARG A 17 13.292 21.091 -2.126 1.00 0.00 N ATOM 256 CZ ARG A 17 14.382 20.313 -2.106 1.00 0.00 C ATOM 257 NH1 ARG A 17 14.365 19.116 -1.543 1.00 0.00 N ATOM 258 NH2 ARG A 17 15.492 20.726 -2.681 1.00 0.00 N ATOM 0 H ARG A 17 9.810 21.206 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 17 8.905 23.195 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.773 22.411 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.228 23.285 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.897 21.244 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.585 20.383 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.988 21.392 -0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.968 19.767 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 17 13.346 21.948 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.509 18.767 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.208 18.542 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.520 21.636 -3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.324 20.136 -2.667 1.00 0.00 H new ATOM 272 N ASP A 18 10.783 24.239 -5.678 1.00 0.00 N ATOM 273 CA ASP A 18 11.241 25.412 -6.463 1.00 0.00 C ATOM 274 C ASP A 18 10.046 26.230 -6.983 1.00 0.00 C ATOM 275 O ASP A 18 10.013 27.467 -6.845 1.00 0.00 O ATOM 276 CB ASP A 18 12.150 24.951 -7.644 1.00 0.00 C ATOM 277 CG ASP A 18 13.622 24.729 -7.251 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.963 23.661 -6.696 1.00 0.00 O ATOM 279 OD2 ASP A 18 14.455 25.633 -7.500 1.00 0.00 O ATOM 0 H ASP A 18 11.066 23.345 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 18 11.825 26.056 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.751 24.024 -8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.105 25.698 -8.437 1.00 0.00 H new ATOM 284 N ARG A 19 9.055 25.515 -7.555 1.00 0.00 N ATOM 285 CA ARG A 19 7.826 26.128 -8.087 1.00 0.00 C ATOM 286 C ARG A 19 7.003 26.743 -6.963 1.00 0.00 C ATOM 287 O ARG A 19 6.482 27.834 -7.124 1.00 0.00 O ATOM 288 CB ARG A 19 6.979 25.094 -8.897 1.00 0.00 C ATOM 289 CG ARG A 19 7.330 24.972 -10.403 1.00 0.00 C ATOM 290 CD ARG A 19 8.821 24.688 -10.680 1.00 0.00 C ATOM 291 NE ARG A 19 9.669 25.908 -10.692 1.00 0.00 N ATOM 292 CZ ARG A 19 11.000 25.919 -10.872 1.00 0.00 C ATOM 293 NH1 ARG A 19 11.666 24.788 -11.085 1.00 0.00 N ATOM 294 NH2 ARG A 19 11.666 27.062 -10.835 1.00 0.00 N ATOM 0 H ARG A 19 9.086 24.501 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 19 8.119 26.923 -8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.096 24.114 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.927 25.365 -8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.731 24.174 -10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.047 25.896 -10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.198 24.002 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.913 24.183 -11.641 1.00 0.00 H new ATOM 0 HE ARG A 19 9.205 26.806 -10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.166 23.899 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.677 24.809 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.169 27.937 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.677 27.068 -10.972 1.00 0.00 H new ATOM 308 N GLN A 20 6.905 26.053 -5.814 1.00 0.00 N ATOM 309 CA GLN A 20 6.116 26.575 -4.682 1.00 0.00 C ATOM 310 C GLN A 20 6.781 27.838 -4.113 1.00 0.00 C ATOM 311 O GLN A 20 6.086 28.772 -3.798 1.00 0.00 O ATOM 312 CB GLN A 20 5.848 25.506 -3.573 1.00 0.00 C ATOM 313 CG GLN A 20 6.938 25.348 -2.501 1.00 0.00 C ATOM 314 CD GLN A 20 6.653 24.284 -1.433 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.584 23.690 -0.890 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.385 24.055 -1.097 1.00 0.00 N ATOM 0 H GLN A 20 7.351 25.152 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 20 5.132 26.841 -5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.912 25.758 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.702 24.540 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.878 25.102 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.080 26.308 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.634 24.563 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.165 23.372 -0.372 1.00 0.00 H new ATOM 325 N ARG A 21 8.141 27.887 -4.075 1.00 0.00 N ATOM 326 CA ARG A 21 8.886 29.041 -3.507 1.00 0.00 C ATOM 327 C ARG A 21 8.572 30.333 -4.283 1.00 0.00 C ATOM 328 O ARG A 21 8.201 31.354 -3.677 1.00 0.00 O ATOM 329 CB ARG A 21 10.426 28.788 -3.493 1.00 0.00 C ATOM 330 CG ARG A 21 10.930 27.715 -2.490 1.00 0.00 C ATOM 331 CD ARG A 21 10.481 27.958 -1.024 1.00 0.00 C ATOM 332 NE ARG A 21 9.298 27.150 -0.626 1.00 0.00 N ATOM 333 CZ ARG A 21 8.301 27.570 0.181 1.00 0.00 C ATOM 334 NH1 ARG A 21 8.146 28.857 0.447 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.416 26.699 0.654 1.00 0.00 N ATOM 0 H ARG A 21 8.740 27.142 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 21 8.555 29.158 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.735 28.493 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.927 29.730 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.572 26.737 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.019 27.683 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.310 27.728 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.250 29.015 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 21 9.235 26.200 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.783 29.542 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.389 29.164 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.490 25.712 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.663 27.017 1.264 1.00 0.00 H new ATOM 349 N GLU A 22 8.687 30.264 -5.627 1.00 0.00 N ATOM 350 CA GLU A 22 8.374 31.409 -6.510 1.00 0.00 C ATOM 351 C GLU A 22 6.882 31.783 -6.440 1.00 0.00 C ATOM 352 O GLU A 22 6.532 32.963 -6.547 1.00 0.00 O ATOM 353 CB GLU A 22 8.808 31.145 -7.978 1.00 0.00 C ATOM 354 CG GLU A 22 8.225 29.875 -8.615 1.00 0.00 C ATOM 355 CD GLU A 22 8.601 29.693 -10.091 1.00 0.00 C ATOM 356 OE1 GLU A 22 9.643 29.076 -10.381 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.859 30.177 -10.974 1.00 0.00 O ATOM 0 H GLU A 22 8.994 29.428 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 22 8.952 32.257 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.518 32.002 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.896 31.083 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.569 29.007 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.139 29.902 -8.527 1.00 0.00 H new ATOM 364 N LEU A 23 6.013 30.774 -6.247 1.00 0.00 N ATOM 365 CA LEU A 23 4.555 30.977 -6.155 1.00 0.00 C ATOM 366 C LEU A 23 4.133 31.532 -4.783 1.00 0.00 C ATOM 367 O LEU A 23 3.186 32.305 -4.717 1.00 0.00 O ATOM 368 CB LEU A 23 3.788 29.672 -6.469 1.00 0.00 C ATOM 369 CG LEU A 23 3.835 29.176 -7.948 1.00 0.00 C ATOM 370 CD1 LEU A 23 3.070 27.845 -8.118 1.00 0.00 C ATOM 371 CD2 LEU A 23 3.315 30.261 -8.918 1.00 0.00 C ATOM 0 H LEU A 23 6.299 29.800 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 23 4.293 31.722 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.184 28.882 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.744 29.814 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 23 4.878 28.985 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.121 27.526 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.520 27.083 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.027 27.986 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.360 29.886 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.284 30.509 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.934 31.154 -8.831 1.00 0.00 H new ATOM 383 N TYR A 24 4.865 31.165 -3.709 1.00 0.00 N ATOM 384 CA TYR A 24 4.567 31.611 -2.324 1.00 0.00 C ATOM 385 C TYR A 24 4.775 33.125 -2.233 1.00 0.00 C ATOM 386 O TYR A 24 3.908 33.843 -1.753 1.00 0.00 O ATOM 387 CB TYR A 24 5.464 30.870 -1.263 1.00 0.00 C ATOM 388 CG TYR A 24 4.805 29.654 -0.557 1.00 0.00 C ATOM 389 CD1 TYR A 24 4.782 28.386 -1.140 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.235 29.776 0.714 1.00 0.00 C ATOM 391 CE1 TYR A 24 4.212 27.301 -0.511 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.667 28.684 1.349 1.00 0.00 C ATOM 393 CZ TYR A 24 3.666 27.448 0.734 1.00 0.00 C ATOM 394 OH TYR A 24 3.096 26.364 1.361 1.00 0.00 O ATOM 0 H TYR A 24 5.678 30.553 -3.774 1.00 0.00 H new ATOM 0 HA TYR A 24 3.531 31.362 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.374 30.530 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.764 31.590 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.225 28.251 -2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.238 30.736 1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.196 26.338 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.224 28.800 2.327 1.00 0.00 H new ATOM 0 HH TYR A 24 3.424 25.538 0.949 1.00 0.00 H new ATOM 404 N ARG A 25 5.932 33.588 -2.743 1.00 0.00 N ATOM 405 CA ARG A 25 6.284 35.026 -2.767 1.00 0.00 C ATOM 406 C ARG A 25 5.456 35.784 -3.826 1.00 0.00 C ATOM 407 O ARG A 25 5.240 36.993 -3.694 1.00 0.00 O ATOM 408 CB ARG A 25 7.808 35.218 -2.986 1.00 0.00 C ATOM 409 CG ARG A 25 8.355 34.670 -4.319 1.00 0.00 C ATOM 410 CD ARG A 25 9.887 34.752 -4.403 1.00 0.00 C ATOM 411 NE ARG A 25 10.408 34.221 -5.671 1.00 0.00 N ATOM 412 CZ ARG A 25 11.573 33.562 -5.822 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.300 33.217 -4.762 1.00 0.00 N ATOM 414 NH2 ARG A 25 12.003 33.234 -7.033 1.00 0.00 N ATOM 0 H ARG A 25 6.646 32.983 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 25 6.035 35.453 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.036 36.282 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.340 34.734 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.043 33.632 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.918 35.231 -5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.199 35.790 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.324 34.197 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 25 9.840 34.363 -6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.976 33.451 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.181 32.718 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.451 33.481 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.886 32.735 -7.143 1.00 0.00 H new ATOM 428 N ARG A 26 5.002 35.055 -4.881 1.00 0.00 N ATOM 429 CA ARG A 26 4.075 35.593 -5.898 1.00 0.00 C ATOM 430 C ARG A 26 2.769 36.059 -5.242 1.00 0.00 C ATOM 431 O ARG A 26 2.390 37.217 -5.374 1.00 0.00 O ATOM 432 CB ARG A 26 3.751 34.539 -7.004 1.00 0.00 C ATOM 433 CG ARG A 26 2.593 34.929 -7.961 1.00 0.00 C ATOM 434 CD ARG A 26 2.215 33.814 -8.950 1.00 0.00 C ATOM 435 NE ARG A 26 3.283 33.547 -9.921 1.00 0.00 N ATOM 436 CZ ARG A 26 3.330 34.006 -11.183 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.375 34.797 -11.656 1.00 0.00 N ATOM 438 NH2 ARG A 26 4.346 33.670 -11.960 1.00 0.00 N ATOM 0 H ARG A 26 5.270 34.084 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 26 4.573 36.441 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.650 34.368 -7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.502 33.594 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.716 35.192 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.879 35.819 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.992 32.901 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.306 34.095 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 26 4.058 32.961 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.592 35.064 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.424 35.138 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.086 33.067 -11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.390 34.014 -12.919 1.00 0.00 H new ATOM 452 N LEU A 27 2.089 35.146 -4.522 1.00 0.00 N ATOM 453 CA LEU A 27 0.757 35.434 -3.952 1.00 0.00 C ATOM 454 C LEU A 27 0.854 36.205 -2.627 1.00 0.00 C ATOM 455 O LEU A 27 -0.044 36.977 -2.293 1.00 0.00 O ATOM 456 CB LEU A 27 -0.128 34.151 -3.880 1.00 0.00 C ATOM 457 CG LEU A 27 0.478 32.826 -3.322 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.632 32.817 -1.796 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.337 31.614 -3.796 1.00 0.00 C ATOM 0 H LEU A 27 2.437 34.208 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 27 0.238 36.107 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.001 34.391 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.487 33.946 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 27 1.488 32.759 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.059 31.865 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.292 33.630 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.345 32.949 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.103 30.701 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.365 31.706 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.329 31.573 -4.885 1.00 0.00 H new ATOM 471 N HIS A 28 2.000 36.066 -1.927 1.00 0.00 N ATOM 472 CA HIS A 28 2.321 36.873 -0.721 1.00 0.00 C ATOM 473 C HIS A 28 3.056 38.164 -1.134 1.00 0.00 C ATOM 474 O HIS A 28 3.785 38.734 -0.347 1.00 0.00 O ATOM 475 CB HIS A 28 3.164 36.062 0.320 1.00 0.00 C ATOM 476 CG HIS A 28 2.371 35.076 1.143 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.630 35.452 2.240 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.210 33.736 1.035 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.043 34.397 2.757 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.371 33.341 2.043 1.00 0.00 N ATOM 0 H HIS A 28 2.728 35.396 -2.177 1.00 0.00 H new ATOM 0 HA HIS A 28 1.382 37.136 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.950 35.523 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.657 36.763 0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.660 33.096 0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.399 34.396 3.624 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.053 32.387 2.212 1.00 0.00 H new ATOM 932 N LEU A 58 -3.933 37.113 -2.614 1.00 0.00 N ATOM 933 CA LEU A 58 -3.149 35.972 -3.096 1.00 0.00 C ATOM 934 C LEU A 58 -3.348 35.736 -4.605 1.00 0.00 C ATOM 935 O LEU A 58 -2.430 35.954 -5.393 1.00 0.00 O ATOM 936 CB LEU A 58 -3.487 34.690 -2.301 1.00 0.00 C ATOM 937 CG LEU A 58 -3.275 34.748 -0.759 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.614 33.398 -0.110 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.853 35.209 -0.368 1.00 0.00 C ATOM 0 HA LEU A 58 -2.099 36.215 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.530 34.436 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.882 33.874 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.962 35.502 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.458 33.463 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.656 33.149 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.969 32.623 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.763 35.230 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.120 34.515 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.672 36.207 -0.767 1.00 0.00 H new ATOM 951 N GLY A 59 -4.546 35.282 -4.996 1.00 0.00 N ATOM 952 CA GLY A 59 -4.832 34.915 -6.393 1.00 0.00 C ATOM 953 C GLY A 59 -5.230 33.449 -6.492 1.00 0.00 C ATOM 954 O GLY A 59 -4.458 32.576 -6.085 1.00 0.00 O ATOM 0 H GLY A 59 -5.337 35.159 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.634 35.542 -6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.953 35.101 -7.011 1.00 0.00 H new ATOM 958 N GLN A 60 -6.413 33.191 -7.085 1.00 0.00 N ATOM 959 CA GLN A 60 -7.104 31.883 -7.038 1.00 0.00 C ATOM 960 C GLN A 60 -6.253 30.740 -7.617 1.00 0.00 C ATOM 961 O GLN A 60 -6.083 29.700 -6.967 1.00 0.00 O ATOM 962 CB GLN A 60 -8.462 31.980 -7.792 1.00 0.00 C ATOM 963 CG GLN A 60 -9.375 33.132 -7.324 1.00 0.00 C ATOM 964 CD GLN A 60 -9.786 33.020 -5.850 1.00 0.00 C ATOM 965 OE1 GLN A 60 -9.097 33.520 -4.959 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.907 32.375 -5.583 1.00 0.00 N ATOM 0 H GLN A 60 -6.924 33.894 -7.618 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.277 31.644 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.264 32.101 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.997 31.038 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.860 34.080 -7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.272 33.150 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.456 31.972 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.223 32.280 -4.618 1.00 0.00 H new ATOM 975 N VAL A 61 -5.707 30.970 -8.827 1.00 0.00 N ATOM 976 CA VAL A 61 -4.881 29.980 -9.550 1.00 0.00 C ATOM 977 C VAL A 61 -3.667 29.535 -8.711 1.00 0.00 C ATOM 978 O VAL A 61 -3.389 28.338 -8.626 1.00 0.00 O ATOM 979 CB VAL A 61 -4.417 30.523 -10.957 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.570 31.821 -10.841 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.675 29.424 -11.770 1.00 0.00 C ATOM 0 H VAL A 61 -5.826 31.848 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.511 29.107 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.319 30.790 -11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.276 32.154 -11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.161 32.599 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.678 31.622 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.368 29.829 -12.734 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.795 29.095 -11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.342 28.576 -11.928 1.00 0.00 H new ATOM 991 N GLY A 62 -3.007 30.507 -8.051 1.00 0.00 N ATOM 992 CA GLY A 62 -1.807 30.254 -7.262 1.00 0.00 C ATOM 993 C GLY A 62 -2.092 29.481 -5.990 1.00 0.00 C ATOM 994 O GLY A 62 -1.323 28.614 -5.620 1.00 0.00 O ATOM 0 H GLY A 62 -3.298 31.485 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.091 29.698 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.339 31.205 -7.007 1.00 0.00 H new ATOM 998 N GLN A 63 -3.222 29.796 -5.340 1.00 0.00 N ATOM 999 CA GLN A 63 -3.642 29.160 -4.074 1.00 0.00 C ATOM 1000 C GLN A 63 -3.913 27.658 -4.261 1.00 0.00 C ATOM 1001 O GLN A 63 -3.429 26.826 -3.488 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.914 29.852 -3.543 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.709 31.305 -3.091 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.024 31.993 -2.729 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.645 32.662 -3.552 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.466 31.798 -1.507 1.00 0.00 N ATOM 0 H GLN A 63 -3.876 30.502 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.830 29.271 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.675 29.832 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.302 29.275 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.043 31.324 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.216 31.864 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.922 31.236 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.353 32.208 -1.214 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.692 27.344 -5.307 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.058 25.960 -5.663 1.00 0.00 C ATOM 1017 C ASP A 64 -3.856 25.211 -6.250 1.00 0.00 C ATOM 1018 O ASP A 64 -3.805 23.976 -6.207 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.246 25.962 -6.662 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.561 26.433 -6.015 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.723 27.651 -5.782 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.437 25.590 -5.714 1.00 0.00 O ATOM 0 H ASP A 64 -5.089 28.044 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.366 25.439 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.007 26.611 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.381 24.957 -7.062 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.888 25.972 -6.797 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.635 25.413 -7.331 1.00 0.00 C ATOM 1029 C GLU A 65 -0.713 25.014 -6.168 1.00 0.00 C ATOM 1030 O GLU A 65 -0.078 23.966 -6.219 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.952 26.433 -8.288 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.050 25.806 -9.373 1.00 0.00 C ATOM 1033 CD GLU A 65 0.247 26.756 -10.553 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.715 27.338 -11.109 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.420 26.887 -10.972 1.00 0.00 O ATOM 0 H GLU A 65 -2.954 26.986 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.852 24.518 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.726 27.024 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.353 27.122 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.892 25.499 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.528 24.904 -9.755 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.695 25.856 -5.109 1.00 0.00 N ATOM 1043 CA LEU A 66 0.015 25.570 -3.838 1.00 0.00 C ATOM 1044 C LEU A 66 -0.598 24.347 -3.156 1.00 0.00 C ATOM 1045 O LEU A 66 0.125 23.496 -2.655 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.032 26.795 -2.856 1.00 0.00 C ATOM 1047 CG LEU A 66 1.202 27.746 -2.856 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.461 28.341 -4.243 1.00 0.00 C ATOM 1049 CD2 LEU A 66 1.038 28.852 -1.783 1.00 0.00 C ATOM 0 H LEU A 66 -1.174 26.757 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 66 1.058 25.372 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.916 27.387 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.166 26.413 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 66 2.080 27.153 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.330 28.998 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.649 27.537 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.589 28.912 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.910 29.506 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.143 29.436 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.946 28.393 -0.799 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.945 24.284 -3.146 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.680 23.159 -2.539 1.00 0.00 C ATOM 1063 C ARG A 67 -2.304 21.849 -3.244 1.00 0.00 C ATOM 1064 O ARG A 67 -2.116 20.830 -2.596 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.222 23.371 -2.586 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.024 22.230 -1.900 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.548 22.396 -2.004 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.253 21.280 -1.346 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.588 21.120 -1.301 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.413 22.029 -1.797 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.097 20.042 -0.732 1.00 0.00 N ATOM 0 H ARG A 67 -2.546 25.001 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.393 23.106 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.466 24.317 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.538 23.453 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.740 21.278 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.744 22.183 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.846 23.339 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.840 22.446 -3.053 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.681 20.571 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.040 22.876 -2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.421 21.882 -1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.479 19.337 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.108 19.914 -0.694 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.161 21.924 -4.582 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.771 20.788 -5.430 1.00 0.00 C ATOM 1087 C ALA A 68 -0.293 20.390 -5.206 1.00 0.00 C ATOM 1088 O ALA A 68 0.024 19.199 -5.203 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.020 21.130 -6.908 1.00 0.00 C ATOM 0 H ALA A 68 -2.315 22.785 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.384 19.931 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.729 20.284 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.078 21.345 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.430 22.004 -7.184 1.00 0.00 H new ATOM 1095 N ILE A 69 0.602 21.400 -5.018 1.00 0.00 N ATOM 1096 CA ILE A 69 2.050 21.171 -4.809 1.00 0.00 C ATOM 1097 C ILE A 69 2.307 20.533 -3.440 1.00 0.00 C ATOM 1098 O ILE A 69 2.900 19.461 -3.362 1.00 0.00 O ATOM 1099 CB ILE A 69 2.897 22.506 -4.942 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.891 23.045 -6.412 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.352 22.297 -4.445 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.597 24.375 -6.622 1.00 0.00 C ATOM 0 H ILE A 69 0.337 22.385 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 69 2.375 20.489 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 69 2.423 23.255 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.358 22.300 -7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.856 23.147 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.909 23.228 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.339 21.996 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.832 21.520 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.535 24.658 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.119 25.141 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.644 24.281 -6.333 1.00 0.00 H new ATOM 1114 N ASP A 70 1.857 21.220 -2.379 1.00 0.00 N ATOM 1115 CA ASP A 70 2.032 20.795 -0.975 1.00 0.00 C ATOM 1116 C ASP A 70 1.319 19.459 -0.690 1.00 0.00 C ATOM 1117 O ASP A 70 1.756 18.699 0.182 1.00 0.00 O ATOM 1118 CB ASP A 70 1.537 21.917 -0.014 1.00 0.00 C ATOM 1119 CG ASP A 70 2.475 23.150 0.007 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.377 24.020 -0.890 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.331 23.245 0.918 1.00 0.00 O ATOM 0 H ASP A 70 1.352 22.102 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 70 3.095 20.628 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.538 22.232 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.453 21.513 0.995 1.00 0.00 H new ATOM 1126 N ALA A 71 0.218 19.176 -1.431 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.463 17.863 -1.382 1.00 0.00 C ATOM 1128 C ALA A 71 0.424 16.788 -2.016 1.00 0.00 C ATOM 1129 O ALA A 71 0.572 15.707 -1.460 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.831 17.894 -2.086 1.00 0.00 C ATOM 0 H ALA A 71 -0.215 19.843 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.638 17.625 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.294 16.909 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.474 18.628 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.696 18.167 -3.133 1.00 0.00 H new ATOM 1136 N ALA A 72 1.027 17.124 -3.177 1.00 0.00 N ATOM 1137 CA ALA A 72 1.929 16.223 -3.927 1.00 0.00 C ATOM 1138 C ALA A 72 3.225 15.941 -3.135 1.00 0.00 C ATOM 1139 O ALA A 72 3.774 14.842 -3.210 1.00 0.00 O ATOM 1140 CB ALA A 72 2.232 16.807 -5.313 1.00 0.00 C ATOM 0 H ALA A 72 0.901 18.033 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 72 1.424 15.267 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.897 16.134 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.302 16.924 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.712 17.779 -5.201 1.00 0.00 H new ATOM 1146 N LEU A 73 3.669 16.940 -2.348 1.00 0.00 N ATOM 1147 CA LEU A 73 4.821 16.817 -1.426 1.00 0.00 C ATOM 1148 C LEU A 73 4.458 15.911 -0.239 1.00 0.00 C ATOM 1149 O LEU A 73 5.287 15.135 0.239 1.00 0.00 O ATOM 1150 CB LEU A 73 5.260 18.223 -0.922 1.00 0.00 C ATOM 1151 CG LEU A 73 5.918 19.149 -1.997 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.128 20.583 -1.460 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.249 18.542 -2.511 1.00 0.00 C ATOM 0 H LEU A 73 3.236 17.864 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 73 5.654 16.366 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.387 18.732 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.965 18.092 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 73 5.230 19.216 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.587 21.198 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.166 21.011 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.780 20.553 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.687 19.205 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.942 18.426 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.055 17.568 -2.960 1.00 0.00 H new ATOM 1165 N ALA A 74 3.196 16.031 0.220 1.00 0.00 N ATOM 1166 CA ALA A 74 2.619 15.167 1.267 1.00 0.00 C ATOM 1167 C ALA A 74 2.432 13.723 0.759 1.00 0.00 C ATOM 1168 O ALA A 74 2.446 12.779 1.554 1.00 0.00 O ATOM 1169 CB ALA A 74 1.287 15.750 1.766 1.00 0.00 C ATOM 0 H ALA A 74 2.545 16.735 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 74 3.317 15.133 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.873 15.102 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.457 16.744 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.585 15.818 0.935 1.00 0.00 H new ATOM 1175 N ARG A 75 2.256 13.564 -0.577 1.00 0.00 N ATOM 1176 CA ARG A 75 2.204 12.241 -1.229 1.00 0.00 C ATOM 1177 C ARG A 75 3.600 11.595 -1.209 1.00 0.00 C ATOM 1178 O ARG A 75 3.718 10.399 -0.994 1.00 0.00 O ATOM 1179 CB ARG A 75 1.703 12.314 -2.705 1.00 0.00 C ATOM 1180 CG ARG A 75 0.300 12.915 -2.954 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.859 12.151 -2.281 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.935 12.380 -0.822 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.716 11.695 0.035 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.534 10.735 -0.391 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.688 11.994 1.321 1.00 0.00 N ATOM 0 H ARG A 75 2.147 14.345 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 75 1.490 11.640 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.425 12.897 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.714 11.304 -3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.293 13.945 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.120 12.948 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.800 12.453 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.741 11.084 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.348 13.117 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.578 10.506 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.117 10.229 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.078 12.739 1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.276 11.480 1.977 1.00 0.00 H new ATOM 1199 N ILE A 76 4.647 12.408 -1.449 1.00 0.00 N ATOM 1200 CA ILE A 76 6.058 11.949 -1.433 1.00 0.00 C ATOM 1201 C ILE A 76 6.465 11.523 -0.010 1.00 0.00 C ATOM 1202 O ILE A 76 7.094 10.473 0.176 1.00 0.00 O ATOM 1203 CB ILE A 76 7.030 13.072 -1.961 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.648 13.471 -3.425 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.515 12.615 -1.866 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.331 14.704 -3.967 1.00 0.00 C ATOM 0 H ILE A 76 4.543 13.401 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 76 6.139 11.090 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 76 6.921 13.953 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.878 12.632 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.570 13.626 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.164 13.408 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.763 12.399 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.659 11.718 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.994 14.888 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.083 15.562 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.411 14.553 -3.964 1.00 0.00 H new ATOM 1218 N ALA A 77 6.060 12.345 0.974 1.00 0.00 N ATOM 1219 CA ALA A 77 6.306 12.108 2.405 1.00 0.00 C ATOM 1220 C ALA A 77 5.620 10.813 2.869 1.00 0.00 C ATOM 1221 O ALA A 77 6.199 10.037 3.632 1.00 0.00 O ATOM 1222 CB ALA A 77 5.825 13.315 3.225 1.00 0.00 C ATOM 0 H ALA A 77 5.544 13.206 0.793 1.00 0.00 H new ATOM 0 HA ALA A 77 7.378 11.987 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.010 13.133 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.366 14.207 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.757 13.462 3.064 1.00 0.00 H new ATOM 1228 N SER A 78 4.396 10.586 2.362 1.00 0.00 N ATOM 1229 CA SER A 78 3.602 9.376 2.651 1.00 0.00 C ATOM 1230 C SER A 78 4.114 8.161 1.841 1.00 0.00 C ATOM 1231 O SER A 78 3.920 7.013 2.254 1.00 0.00 O ATOM 1232 CB SER A 78 2.117 9.649 2.334 1.00 0.00 C ATOM 1233 OG SER A 78 1.302 8.522 2.597 1.00 0.00 O ATOM 0 H SER A 78 3.926 11.240 1.736 1.00 0.00 H new ATOM 0 HA SER A 78 3.709 9.134 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.769 10.494 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.016 9.933 1.286 1.00 0.00 H new ATOM 0 HG SER A 78 0.369 8.736 2.385 1.00 0.00 H new ATOM 1239 N GLY A 79 4.771 8.434 0.697 1.00 0.00 N ATOM 1240 CA GLY A 79 5.252 7.393 -0.222 1.00 0.00 C ATOM 1241 C GLY A 79 4.196 6.959 -1.241 1.00 0.00 C ATOM 1242 O GLY A 79 4.363 5.946 -1.910 1.00 0.00 O ATOM 0 H GLY A 79 4.981 9.383 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.130 7.762 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.570 6.525 0.356 1.00 0.00 H new ATOM 1246 N THR A 80 3.112 7.743 -1.355 1.00 0.00 N ATOM 1247 CA THR A 80 1.982 7.475 -2.269 1.00 0.00 C ATOM 1248 C THR A 80 1.943 8.520 -3.422 1.00 0.00 C ATOM 1249 O THR A 80 0.890 8.774 -4.020 1.00 0.00 O ATOM 1250 CB THR A 80 0.634 7.442 -1.453 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.461 6.985 -2.270 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.279 8.806 -0.831 1.00 0.00 C ATOM 0 H THR A 80 2.991 8.595 -0.808 1.00 0.00 H new ATOM 0 HA THR A 80 2.118 6.498 -2.733 1.00 0.00 H new ATOM 0 HB THR A 80 0.796 6.737 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.441 7.449 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.659 8.722 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.073 9.113 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.171 9.549 -1.621 1.00 0.00 H new ATOM 1260 N PHE A 81 3.111 9.132 -3.734 1.00 0.00 N ATOM 1261 CA PHE A 81 3.273 9.958 -4.948 1.00 0.00 C ATOM 1262 C PHE A 81 3.274 9.057 -6.202 1.00 0.00 C ATOM 1263 O PHE A 81 3.851 7.960 -6.184 1.00 0.00 O ATOM 1264 CB PHE A 81 4.566 10.805 -4.888 1.00 0.00 C ATOM 1265 CG PHE A 81 4.682 11.825 -6.034 1.00 0.00 C ATOM 1266 CD1 PHE A 81 3.972 13.029 -5.985 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.467 11.571 -7.161 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.057 13.945 -7.017 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.547 12.488 -8.188 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.840 13.675 -8.118 1.00 0.00 C ATOM 0 H PHE A 81 3.952 9.067 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 81 2.431 10.648 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.601 11.334 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.429 10.140 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.349 13.246 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.018 10.645 -7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.509 14.874 -6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.164 12.279 -9.050 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.902 14.389 -8.926 1.00 0.00 H new ATOM 1280 N GLY A 82 2.661 9.565 -7.287 1.00 0.00 N ATOM 1281 CA GLY A 82 2.445 8.787 -8.505 1.00 0.00 C ATOM 1282 C GLY A 82 1.285 7.817 -8.355 1.00 0.00 C ATOM 1283 O GLY A 82 1.242 6.784 -9.028 1.00 0.00 O ATOM 0 H GLY A 82 2.306 10.520 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.249 9.462 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.352 8.234 -8.749 1.00 0.00 H new ATOM 1287 N THR A 83 0.334 8.173 -7.469 1.00 0.00 N ATOM 1288 CA THR A 83 -0.895 7.405 -7.225 1.00 0.00 C ATOM 1289 C THR A 83 -2.128 8.292 -7.470 1.00 0.00 C ATOM 1290 O THR A 83 -2.265 9.356 -6.846 1.00 0.00 O ATOM 1291 CB THR A 83 -0.935 6.850 -5.759 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.249 6.084 -5.500 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.174 5.969 -5.487 1.00 0.00 C ATOM 0 H THR A 83 0.402 9.014 -6.897 1.00 0.00 H new ATOM 0 HA THR A 83 -0.906 6.561 -7.915 1.00 0.00 H new ATOM 0 HB THR A 83 -0.991 7.712 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.222 5.740 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.148 5.613 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.079 6.555 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.170 5.116 -6.166 1.00 0.00 H new ATOM 1301 N CYS A 84 -2.979 7.879 -8.432 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.327 8.428 -8.607 1.00 0.00 C ATOM 1303 C CYS A 84 -5.148 8.114 -7.352 1.00 0.00 C ATOM 1304 O CYS A 84 -5.703 7.016 -7.232 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.009 7.840 -9.872 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.767 8.310 -10.047 1.00 0.00 S ATOM 0 H CYS A 84 -2.744 7.153 -9.108 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.264 9.507 -8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.464 8.173 -10.755 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.934 6.753 -9.842 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.983 8.740 -11.255 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.168 9.082 -6.408 1.00 0.00 N ATOM 1312 CA VAL A 85 -5.812 8.936 -5.078 1.00 0.00 C ATOM 1313 C VAL A 85 -7.342 8.770 -5.212 1.00 0.00 C ATOM 1314 O VAL A 85 -7.995 8.153 -4.362 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.467 10.169 -4.145 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -3.939 10.264 -3.895 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.020 11.495 -4.731 1.00 0.00 C ATOM 0 H VAL A 85 -4.735 9.995 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.414 8.033 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.957 10.005 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.728 11.118 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.592 9.351 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.422 10.389 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.766 12.321 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.580 11.671 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.104 11.427 -4.826 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.873 9.304 -6.324 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.311 9.320 -6.643 1.00 0.00 C ATOM 1329 C LYS A 86 -9.833 7.916 -7.076 1.00 0.00 C ATOM 1330 O LYS A 86 -11.047 7.686 -7.123 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.524 10.363 -7.773 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.994 10.747 -8.043 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.130 11.771 -9.193 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.554 12.329 -9.339 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.554 11.260 -9.554 1.00 0.00 N ATOM 0 H LYS A 86 -7.301 9.747 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.880 9.590 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.969 11.267 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.092 9.971 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.562 9.850 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.431 11.163 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.439 12.596 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.834 11.298 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.815 12.893 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.585 13.027 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.482 11.687 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.267 10.673 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.617 10.667 -8.702 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.899 6.994 -7.394 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.241 5.640 -7.909 1.00 0.00 C ATOM 1351 C CYS A 87 -8.468 4.520 -7.177 1.00 0.00 C ATOM 1352 O CYS A 87 -8.887 3.359 -7.204 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.924 5.577 -9.416 1.00 0.00 C ATOM 1354 SG CYS A 87 -9.385 7.074 -10.334 1.00 0.00 S ATOM 0 H CYS A 87 -7.896 7.159 -7.304 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.304 5.476 -7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.856 5.399 -9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.444 4.723 -9.850 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.350 7.853 -10.441 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.337 4.882 -6.541 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.390 3.904 -6.000 1.00 0.00 C ATOM 1361 C GLY A 88 -5.640 3.143 -7.095 1.00 0.00 C ATOM 1362 O GLY A 88 -5.636 1.908 -7.113 1.00 0.00 O ATOM 0 H GLY A 88 -7.061 5.853 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.671 4.416 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.927 3.193 -5.371 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.025 3.901 -8.026 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.182 3.341 -9.116 1.00 0.00 C ATOM 1368 C LYS A 89 -2.999 4.289 -9.392 1.00 0.00 C ATOM 1369 O LYS A 89 -2.751 5.192 -8.607 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.022 3.094 -10.406 1.00 0.00 C ATOM 1371 CG LYS A 89 -5.621 4.367 -11.064 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.140 4.128 -12.504 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.296 3.118 -12.591 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.791 2.968 -13.983 1.00 0.00 N ATOM 0 H LYS A 89 -5.095 4.918 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.790 2.375 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.392 2.589 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.838 2.413 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.440 4.735 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.861 5.148 -11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.469 5.079 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.315 3.775 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.962 2.150 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.113 3.444 -11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.570 2.279 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.133 3.887 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.018 2.633 -14.592 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.278 4.067 -10.507 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.094 4.868 -10.901 1.00 0.00 C ATOM 1390 C ARG A 90 -1.458 6.254 -11.499 1.00 0.00 C ATOM 1391 O ARG A 90 -2.600 6.514 -11.903 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.235 4.049 -11.929 1.00 0.00 C ATOM 1393 CG ARG A 90 0.903 3.199 -11.307 1.00 0.00 C ATOM 1394 CD ARG A 90 2.059 4.068 -10.769 1.00 0.00 C ATOM 1395 NE ARG A 90 2.599 4.975 -11.811 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.896 5.193 -12.082 1.00 0.00 C ATOM 1397 NH1 ARG A 90 4.858 4.541 -11.439 1.00 0.00 N ATOM 1398 NH2 ARG A 90 4.218 6.077 -13.016 1.00 0.00 N ATOM 0 H ARG A 90 -2.499 3.322 -11.168 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.524 5.066 -9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.898 3.388 -12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.202 4.743 -12.647 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.499 2.594 -10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.289 2.509 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.707 4.657 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.857 3.423 -10.400 1.00 0.00 H new ATOM 0 HE ARG A 90 1.919 5.483 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.619 3.857 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.836 4.724 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.485 6.580 -13.517 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.199 6.254 -13.234 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.448 7.147 -11.487 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.385 8.346 -12.349 1.00 0.00 C ATOM 1414 C ILE A 91 0.642 8.060 -13.472 1.00 0.00 C ATOM 1415 O ILE A 91 1.659 7.398 -13.223 1.00 0.00 O ATOM 1416 CB ILE A 91 0.084 9.641 -11.563 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.812 9.944 -10.326 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.123 10.878 -12.489 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.203 10.470 -10.628 1.00 0.00 C ATOM 0 H ILE A 91 0.359 7.055 -10.870 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.385 8.542 -12.735 1.00 0.00 H new ATOM 0 HB ILE A 91 1.092 9.429 -11.205 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.909 9.030 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.298 10.672 -9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.448 11.749 -11.920 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.820 10.698 -13.307 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.872 11.061 -12.894 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.736 10.645 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.126 11.405 -11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.747 9.738 -11.225 1.00 0.00 H new ATOM 1431 N SER A 92 0.381 8.565 -14.687 1.00 0.00 N ATOM 1432 CA SER A 92 1.303 8.451 -15.834 1.00 0.00 C ATOM 1433 C SER A 92 2.497 9.393 -15.666 1.00 0.00 C ATOM 1434 O SER A 92 2.390 10.446 -15.020 1.00 0.00 O ATOM 1435 CB SER A 92 0.561 8.731 -17.172 1.00 0.00 C ATOM 1436 OG SER A 92 -0.444 9.721 -17.027 1.00 0.00 O ATOM 0 H SER A 92 -0.479 9.067 -14.906 1.00 0.00 H new ATOM 0 HA SER A 92 1.679 7.429 -15.865 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.281 9.053 -17.925 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.110 7.808 -17.536 1.00 0.00 H new ATOM 0 HG SER A 92 -0.885 9.869 -17.890 1.00 0.00 H new ATOM 1442 N GLU A 93 3.620 9.004 -16.284 1.00 0.00 N ATOM 1443 CA GLU A 93 4.868 9.778 -16.250 1.00 0.00 C ATOM 1444 C GLU A 93 4.700 11.086 -17.044 1.00 0.00 C ATOM 1445 O GLU A 93 5.225 12.127 -16.651 1.00 0.00 O ATOM 1446 CB GLU A 93 6.032 8.933 -16.824 1.00 0.00 C ATOM 1447 CG GLU A 93 7.422 9.600 -16.676 1.00 0.00 C ATOM 1448 CD GLU A 93 8.557 8.813 -17.352 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.810 9.029 -18.555 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.198 7.972 -16.688 1.00 0.00 O ATOM 0 H GLU A 93 3.689 8.141 -16.823 1.00 0.00 H new ATOM 0 HA GLU A 93 5.103 10.031 -15.216 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.048 7.966 -16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.842 8.741 -17.880 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.382 10.602 -17.102 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.651 9.713 -15.616 1.00 0.00 H new ATOM 1457 N ASP A 94 3.943 10.996 -18.161 1.00 0.00 N ATOM 1458 CA ASP A 94 3.586 12.153 -19.017 1.00 0.00 C ATOM 1459 C ASP A 94 2.813 13.212 -18.222 1.00 0.00 C ATOM 1460 O ASP A 94 3.042 14.415 -18.387 1.00 0.00 O ATOM 1461 CB ASP A 94 2.737 11.703 -20.237 1.00 0.00 C ATOM 1462 CG ASP A 94 3.470 10.695 -21.134 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.611 9.525 -20.720 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.915 11.063 -22.246 1.00 0.00 O ATOM 0 H ASP A 94 3.559 10.113 -18.497 1.00 0.00 H new ATOM 0 HA ASP A 94 4.519 12.590 -19.374 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.807 11.258 -19.882 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.466 12.578 -20.828 1.00 0.00 H new ATOM 1469 N ARG A 95 1.903 12.728 -17.357 1.00 0.00 N ATOM 1470 CA ARG A 95 1.123 13.571 -16.444 1.00 0.00 C ATOM 1471 C ARG A 95 2.055 14.265 -15.438 1.00 0.00 C ATOM 1472 O ARG A 95 1.940 15.462 -15.217 1.00 0.00 O ATOM 1473 CB ARG A 95 0.069 12.712 -15.689 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.872 13.503 -14.743 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.909 14.340 -15.501 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.739 15.167 -14.612 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.511 16.190 -15.019 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.576 16.525 -16.307 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.195 16.888 -14.132 1.00 0.00 N ATOM 0 H ARG A 95 1.690 11.734 -17.275 1.00 0.00 H new ATOM 0 HA ARG A 95 0.604 14.332 -17.027 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.540 12.185 -16.423 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.592 11.954 -15.105 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.387 12.805 -14.083 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.275 14.159 -14.109 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.396 14.985 -16.215 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.553 13.676 -16.077 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.728 14.949 -13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.036 16.003 -16.998 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.166 17.303 -16.602 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.137 16.651 -13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.782 17.665 -14.437 1.00 0.00 H new ATOM 1493 N LEU A 96 2.997 13.487 -14.872 1.00 0.00 N ATOM 1494 CA LEU A 96 3.918 13.961 -13.813 1.00 0.00 C ATOM 1495 C LEU A 96 4.976 14.957 -14.342 1.00 0.00 C ATOM 1496 O LEU A 96 5.402 15.849 -13.614 1.00 0.00 O ATOM 1497 CB LEU A 96 4.625 12.759 -13.131 1.00 0.00 C ATOM 1498 CG LEU A 96 3.712 11.791 -12.315 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.502 10.568 -11.787 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.991 12.536 -11.159 1.00 0.00 C ATOM 0 H LEU A 96 3.144 12.512 -15.134 1.00 0.00 H new ATOM 0 HA LEU A 96 3.307 14.493 -13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.135 12.180 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.394 13.148 -12.463 1.00 0.00 H new ATOM 0 HG LEU A 96 2.948 11.415 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.832 9.918 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.922 10.016 -12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.308 10.909 -11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.363 11.834 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.732 12.965 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.371 13.333 -11.570 1.00 0.00 H new ATOM 1512 N LYS A 97 5.410 14.783 -15.600 1.00 0.00 N ATOM 1513 CA LYS A 97 6.461 15.636 -16.205 1.00 0.00 C ATOM 1514 C LYS A 97 5.852 16.958 -16.720 1.00 0.00 C ATOM 1515 O LYS A 97 6.548 17.974 -16.812 1.00 0.00 O ATOM 1516 CB LYS A 97 7.223 14.880 -17.335 1.00 0.00 C ATOM 1517 CG LYS A 97 6.448 14.696 -18.663 1.00 0.00 C ATOM 1518 CD LYS A 97 7.208 13.818 -19.690 1.00 0.00 C ATOM 1519 CE LYS A 97 7.455 12.389 -19.185 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.196 11.555 -20.164 1.00 0.00 N ATOM 0 H LYS A 97 5.052 14.060 -16.224 1.00 0.00 H new ATOM 0 HA LYS A 97 7.191 15.878 -15.432 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.147 15.418 -17.547 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.505 13.896 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.479 14.243 -18.452 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.254 15.674 -19.103 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.638 13.777 -20.618 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.164 14.286 -19.924 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.016 12.430 -18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.498 11.917 -18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.469 10.656 -19.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.589 11.364 -20.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.050 12.060 -20.474 1.00 0.00 H new ATOM 1534 N ALA A 98 4.555 16.911 -17.079 1.00 0.00 N ATOM 1535 CA ALA A 98 3.777 18.097 -17.485 1.00 0.00 C ATOM 1536 C ALA A 98 3.346 18.908 -16.249 1.00 0.00 C ATOM 1537 O ALA A 98 3.448 20.138 -16.221 1.00 0.00 O ATOM 1538 CB ALA A 98 2.547 17.653 -18.293 1.00 0.00 C ATOM 0 H ALA A 98 4.015 16.046 -17.096 1.00 0.00 H new ATOM 0 HA ALA A 98 4.401 18.736 -18.109 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.973 18.530 -18.593 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.871 17.111 -19.181 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.923 17.003 -17.679 1.00 0.00 H new ATOM 1544 N VAL A 99 2.881 18.178 -15.230 1.00 0.00 N ATOM 1545 CA VAL A 99 2.339 18.736 -13.991 1.00 0.00 C ATOM 1546 C VAL A 99 2.543 17.712 -12.836 1.00 0.00 C ATOM 1547 O VAL A 99 1.770 16.764 -12.694 1.00 0.00 O ATOM 1548 CB VAL A 99 0.816 19.167 -14.168 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.060 18.050 -14.796 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.212 19.671 -12.835 1.00 0.00 C ATOM 0 H VAL A 99 2.872 17.158 -15.246 1.00 0.00 H new ATOM 0 HA VAL A 99 2.879 19.648 -13.734 1.00 0.00 H new ATOM 0 HB VAL A 99 0.814 19.996 -14.876 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.087 18.403 -14.891 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.328 17.794 -15.782 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.038 17.167 -14.157 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.828 19.957 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.262 18.877 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.776 20.535 -12.483 1.00 0.00 H new ATOM 1560 N PRO A 100 3.649 17.840 -12.027 1.00 0.00 N ATOM 1561 CA PRO A 100 3.880 16.970 -10.837 1.00 0.00 C ATOM 1562 C PRO A 100 2.961 17.339 -9.646 1.00 0.00 C ATOM 1563 O PRO A 100 2.882 16.601 -8.657 1.00 0.00 O ATOM 1564 CB PRO A 100 5.380 17.210 -10.512 1.00 0.00 C ATOM 1565 CG PRO A 100 5.661 18.595 -11.015 1.00 0.00 C ATOM 1566 CD PRO A 100 4.780 18.789 -12.236 1.00 0.00 C ATOM 0 HA PRO A 100 3.647 15.923 -11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.571 17.131 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.015 16.473 -11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.437 19.340 -10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.714 18.709 -11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.427 19.818 -12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.321 18.567 -13.156 1.00 0.00 H new ATOM 1574 N TYR A 101 2.260 18.480 -9.769 1.00 0.00 N ATOM 1575 CA TYR A 101 1.328 18.989 -8.756 1.00 0.00 C ATOM 1576 C TYR A 101 -0.102 18.705 -9.210 1.00 0.00 C ATOM 1577 O TYR A 101 -0.868 19.606 -9.566 1.00 0.00 O ATOM 1578 CB TYR A 101 1.575 20.503 -8.471 1.00 0.00 C ATOM 1579 CG TYR A 101 1.746 21.419 -9.708 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.981 21.530 -10.364 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.686 22.182 -10.208 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.141 22.353 -11.459 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.847 23.004 -11.309 1.00 0.00 C ATOM 1584 CZ TYR A 101 2.075 23.086 -11.929 1.00 0.00 C ATOM 1585 OH TYR A 101 2.236 23.914 -13.022 1.00 0.00 O ATOM 0 H TYR A 101 2.329 19.082 -10.590 1.00 0.00 H new ATOM 0 HA TYR A 101 1.496 18.475 -7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.740 20.880 -7.880 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.469 20.593 -7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.824 20.959 -10.004 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.278 22.128 -9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.102 22.422 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.013 23.580 -11.682 1.00 0.00 H new ATOM 0 HH TYR A 101 1.386 24.358 -13.224 1.00 0.00 H new ATOM 1595 N THR A 102 -0.440 17.416 -9.251 1.00 0.00 N ATOM 1596 CA THR A 102 -1.778 16.967 -9.608 1.00 0.00 C ATOM 1597 C THR A 102 -2.179 15.766 -8.713 1.00 0.00 C ATOM 1598 O THR A 102 -1.497 14.734 -8.706 1.00 0.00 O ATOM 1599 CB THR A 102 -1.884 16.628 -11.139 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.236 16.285 -11.469 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.928 15.498 -11.582 1.00 0.00 C ATOM 0 H THR A 102 0.208 16.658 -9.037 1.00 0.00 H new ATOM 0 HA THR A 102 -2.483 17.778 -9.428 1.00 0.00 H new ATOM 0 HB THR A 102 -1.579 17.523 -11.681 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.327 15.310 -11.502 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.052 15.314 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.102 15.793 -11.382 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.159 14.588 -11.028 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.264 15.903 -7.883 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.812 14.767 -7.102 1.00 0.00 C ATOM 1611 C PRO A 103 -4.530 13.738 -8.010 1.00 0.00 C ATOM 1612 O PRO A 103 -4.646 12.547 -7.658 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.794 15.459 -6.110 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.215 16.722 -6.808 1.00 0.00 C ATOM 1615 CD PRO A 103 -4.000 17.176 -7.600 1.00 0.00 C ATOM 0 HA PRO A 103 -3.041 14.186 -6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.651 14.822 -5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.308 15.675 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.066 16.542 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.522 17.483 -6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.289 17.684 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.388 17.874 -7.029 1.00 0.00 H new ATOM 1623 N PHE A 104 -5.002 14.208 -9.187 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.772 13.375 -10.124 1.00 0.00 C ATOM 1625 C PHE A 104 -4.921 12.977 -11.339 1.00 0.00 C ATOM 1626 O PHE A 104 -4.069 13.723 -11.817 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.072 14.098 -10.602 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.825 14.812 -9.476 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.253 14.104 -8.350 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.090 16.183 -9.533 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.911 14.740 -7.323 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.751 16.821 -8.497 1.00 0.00 C ATOM 1633 CZ PHE A 104 -9.167 16.099 -7.395 1.00 0.00 C ATOM 0 H PHE A 104 -4.859 15.166 -9.507 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.060 12.473 -9.585 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.812 14.825 -11.372 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.735 13.367 -11.065 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.065 13.043 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.775 16.752 -10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.229 14.178 -6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.941 17.883 -8.550 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.691 16.594 -6.591 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.182 11.770 -11.793 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.720 11.219 -13.081 1.00 0.00 C ATOM 1645 C CYS A 105 -5.333 12.006 -14.258 1.00 0.00 C ATOM 1646 O CYS A 105 -6.319 12.724 -14.062 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.187 9.759 -13.083 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.885 9.714 -12.496 1.00 0.00 S ATOM 0 H CYS A 105 -5.745 11.105 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.639 11.292 -13.197 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.120 9.340 -14.087 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.546 9.154 -12.441 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.644 9.174 -13.403 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.772 11.829 -15.475 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.161 12.592 -16.682 1.00 0.00 C ATOM 1655 C GLN A 106 -6.681 12.490 -16.981 1.00 0.00 C ATOM 1656 O GLN A 106 -7.359 13.516 -17.128 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.327 12.100 -17.901 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.651 12.828 -19.223 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.996 12.194 -20.453 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -2.885 12.552 -20.837 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.677 11.246 -21.072 1.00 0.00 N ATOM 0 H GLN A 106 -4.032 11.149 -15.648 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.949 13.645 -16.494 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.268 12.229 -17.678 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.497 11.032 -18.036 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.732 12.841 -19.364 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.327 13.866 -19.145 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.597 10.972 -20.728 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.283 10.789 -21.894 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.203 11.249 -17.034 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.614 10.992 -17.426 1.00 0.00 C ATOM 1672 C GLU A 107 -9.619 11.295 -16.294 1.00 0.00 C ATOM 1673 O GLU A 107 -10.761 11.667 -16.576 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.809 9.556 -18.021 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.042 8.397 -17.343 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.435 8.135 -15.887 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -9.549 7.627 -15.641 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -7.636 8.444 -14.979 1.00 0.00 O ATOM 0 H GLU A 107 -6.674 10.406 -16.812 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.838 11.700 -18.224 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.873 9.320 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.519 9.584 -19.071 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.205 7.486 -17.919 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.974 8.613 -17.384 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.199 11.140 -15.027 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.058 11.463 -13.860 1.00 0.00 C ATOM 1687 C CYS A 108 -10.104 12.970 -13.602 1.00 0.00 C ATOM 1688 O CYS A 108 -11.069 13.462 -13.015 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.614 10.711 -12.602 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.699 8.896 -12.768 1.00 0.00 S ATOM 0 H CYS A 108 -8.272 10.794 -14.778 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.067 11.130 -14.105 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.591 10.998 -12.360 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.239 11.021 -11.764 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.390 8.342 -11.633 1.00 0.00 H new ATOM 1695 N ALA A 109 -9.045 13.686 -14.032 1.00 0.00 N ATOM 1696 CA ALA A 109 -9.034 15.156 -14.057 1.00 0.00 C ATOM 1697 C ALA A 109 -9.952 15.667 -15.181 1.00 0.00 C ATOM 1698 O ALA A 109 -10.621 16.693 -15.036 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.600 15.678 -14.235 1.00 0.00 C ATOM 0 H ALA A 109 -8.181 13.261 -14.369 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.411 15.532 -13.106 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.609 16.768 -14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.982 15.333 -13.406 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.191 15.304 -15.174 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.975 14.914 -16.295 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.814 15.213 -17.471 1.00 0.00 C ATOM 1707 C ALA A 110 -12.309 14.930 -17.204 1.00 0.00 C ATOM 1708 O ALA A 110 -13.188 15.577 -17.792 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.322 14.396 -18.674 1.00 0.00 C ATOM 0 H ALA A 110 -9.407 14.074 -16.406 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.723 16.277 -17.687 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.942 14.617 -19.542 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.286 14.657 -18.892 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.387 13.333 -18.443 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.581 13.961 -16.310 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.945 13.475 -16.018 1.00 0.00 C ATOM 1717 C ALA A 111 -14.338 13.743 -14.548 1.00 0.00 C ATOM 1718 O ALA A 111 -15.092 12.962 -13.962 1.00 0.00 O ATOM 1719 CB ALA A 111 -14.021 11.976 -16.355 1.00 0.00 C ATOM 0 H ALA A 111 -11.858 13.490 -15.767 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.660 14.020 -16.635 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -15.024 11.606 -16.143 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.795 11.829 -17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.298 11.430 -15.750 1.00 0.00 H new