USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 593 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 Single : A 15 LYS NZ :NH3+ -150:sc= -0.0877 (180deg=-0.543) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 27 TYR OH : rot 65:sc= -2.3! USER MOD Single : A 28 SER OG : rot 47:sc= 0.0318 USER MOD Single : A 29 THR OG1 : rot 154:sc= -0.905 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc=-0.00457 (180deg=-0.0521) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -157:sc= -1.01! USER MOD Single : A 37 SER OG : rot 180:sc= -0.713 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.227 (180deg=-1.11) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 46 GLN : amide:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.3) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.128 USER MOD Single : A 59 THR OG1 : rot -153:sc= 0.639 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= -0.829 (180deg=-1.72!) USER MOD Single : A 66 CYS SG : rot -65:sc= -12.6! USER MOD Single : A 68 ASN : amide:sc= -3.72! C(o=-3.7!,f=-7.8!) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.233) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.2! USER MOD Single : A 75 TYR OH : rot 106:sc= 1.16 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 29:sc= 0.403 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.208 -10.553 7.653 1.00 0.00 N ATOM 103 CA PHE A 13 4.135 -10.125 6.267 1.00 0.00 C ATOM 104 C PHE A 13 5.135 -10.894 5.402 1.00 0.00 C ATOM 105 O PHE A 13 4.764 -11.472 4.382 1.00 0.00 O ATOM 106 CB PHE A 13 4.492 -8.637 6.239 1.00 0.00 C ATOM 107 CG PHE A 13 4.835 -8.106 4.846 1.00 0.00 C ATOM 108 CD1 PHE A 13 3.843 -7.708 4.006 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.134 -8.031 4.448 1.00 0.00 C ATOM 110 CE1 PHE A 13 4.161 -7.215 2.713 1.00 0.00 C ATOM 111 CE2 PHE A 13 6.453 -7.537 3.155 1.00 0.00 C ATOM 112 CZ PHE A 13 5.460 -7.140 2.315 1.00 0.00 C ATOM 0 HA PHE A 13 3.136 -10.311 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.654 -8.065 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.340 -8.465 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.812 -7.767 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.922 -8.347 5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.372 -6.900 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.484 -7.477 2.839 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.703 -6.765 1.332 1.00 0.00 H new ATOM 122 N ARG A 14 6.385 -10.876 5.841 1.00 0.00 N ATOM 123 CA ARG A 14 7.442 -11.564 5.120 1.00 0.00 C ATOM 124 C ARG A 14 7.134 -13.060 5.026 1.00 0.00 C ATOM 125 O ARG A 14 7.542 -13.723 4.074 1.00 0.00 O ATOM 126 CB ARG A 14 8.795 -11.371 5.808 1.00 0.00 C ATOM 127 CG ARG A 14 8.953 -12.334 6.986 1.00 0.00 C ATOM 128 CD ARG A 14 9.895 -11.757 8.044 1.00 0.00 C ATOM 129 NE ARG A 14 11.301 -11.915 7.611 1.00 0.00 N ATOM 130 CZ ARG A 14 11.959 -13.094 7.594 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.342 -14.229 7.986 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.215 -13.120 7.187 1.00 0.00 N ATOM 0 H ARG A 14 6.689 -10.395 6.688 1.00 0.00 H new ATOM 0 HA ARG A 14 7.492 -11.136 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.599 -11.534 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.885 -10.343 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.978 -12.532 7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.341 -13.289 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.672 -10.702 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.740 -12.264 8.996 1.00 0.00 H new ATOM 0 HE ARG A 14 11.804 -11.082 7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.371 -14.200 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.846 -15.115 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.673 -12.258 6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.727 -14.002 7.168 1.00 0.00 H new ATOM 146 N LYS A 15 6.417 -13.547 6.028 1.00 0.00 N ATOM 147 CA LYS A 15 6.049 -14.952 6.071 1.00 0.00 C ATOM 148 C LYS A 15 5.336 -15.328 4.770 1.00 0.00 C ATOM 149 O LYS A 15 5.789 -16.211 4.043 1.00 0.00 O ATOM 150 CB LYS A 15 5.233 -15.255 7.329 1.00 0.00 C ATOM 151 CG LYS A 15 4.210 -16.361 7.066 1.00 0.00 C ATOM 152 CD LYS A 15 2.832 -15.772 6.759 1.00 0.00 C ATOM 153 CE LYS A 15 1.851 -16.046 7.901 1.00 0.00 C ATOM 154 NZ LYS A 15 1.637 -17.502 8.061 1.00 0.00 N ATOM 0 H LYS A 15 6.081 -12.994 6.816 1.00 0.00 H new ATOM 0 HA LYS A 15 6.940 -15.577 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.901 -15.557 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.720 -14.352 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.541 -16.976 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.144 -17.015 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.919 -14.697 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.447 -16.201 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.237 -15.625 8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.900 -15.553 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.678 -17.674 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.748 -17.972 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.335 -17.884 8.731 1.00 0.00 H new ATOM 168 N LYS A 16 4.232 -14.640 4.518 1.00 0.00 N ATOM 169 CA LYS A 16 3.452 -14.891 3.318 1.00 0.00 C ATOM 170 C LYS A 16 4.043 -14.092 2.154 1.00 0.00 C ATOM 171 O LYS A 16 4.024 -14.547 1.012 1.00 0.00 O ATOM 172 CB LYS A 16 1.971 -14.603 3.572 1.00 0.00 C ATOM 173 CG LYS A 16 1.085 -15.412 2.623 1.00 0.00 C ATOM 174 CD LYS A 16 1.206 -16.911 2.905 1.00 0.00 C ATOM 175 CE LYS A 16 1.836 -17.643 1.717 1.00 0.00 C ATOM 176 NZ LYS A 16 1.569 -19.096 1.803 1.00 0.00 N ATOM 0 H LYS A 16 3.859 -13.909 5.124 1.00 0.00 H new ATOM 0 HA LYS A 16 3.506 -15.944 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.721 -14.847 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.776 -13.539 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.047 -15.100 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.370 -15.208 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.812 -17.069 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.220 -17.327 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.434 -17.248 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.911 -17.465 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.003 -19.577 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.974 -19.472 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.542 -19.261 1.795 1.00 0.00 H new ATOM 190 N PHE A 17 4.554 -12.915 2.485 1.00 0.00 N ATOM 191 CA PHE A 17 5.150 -12.049 1.482 1.00 0.00 C ATOM 192 C PHE A 17 6.633 -12.370 1.291 1.00 0.00 C ATOM 193 O PHE A 17 7.416 -11.501 0.911 1.00 0.00 O ATOM 194 CB PHE A 17 5.012 -10.613 1.993 1.00 0.00 C ATOM 195 CG PHE A 17 3.580 -10.078 1.966 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.617 -10.672 2.721 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.268 -9.007 1.187 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.287 -10.175 2.697 1.00 0.00 C ATOM 199 CE2 PHE A 17 1.938 -8.510 1.162 1.00 0.00 C ATOM 200 CZ PHE A 17 0.976 -9.104 1.918 1.00 0.00 C ATOM 0 H PHE A 17 4.568 -12.541 3.434 1.00 0.00 H new ATOM 0 HA PHE A 17 4.650 -12.190 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.388 -10.564 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.644 -9.961 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.864 -11.522 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.032 -8.535 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.523 -10.647 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.690 -7.660 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.035 -8.725 1.900 1.00 0.00 H new ATOM 210 N LYS A 18 6.975 -13.621 1.564 1.00 0.00 N ATOM 211 CA LYS A 18 8.351 -14.068 1.428 1.00 0.00 C ATOM 212 C LYS A 18 8.990 -13.375 0.222 1.00 0.00 C ATOM 213 O LYS A 18 10.099 -13.722 -0.181 1.00 0.00 O ATOM 214 CB LYS A 18 8.415 -15.595 1.365 1.00 0.00 C ATOM 215 CG LYS A 18 9.309 -16.152 2.474 1.00 0.00 C ATOM 216 CD LYS A 18 10.777 -16.160 2.043 1.00 0.00 C ATOM 217 CE LYS A 18 11.701 -16.351 3.248 1.00 0.00 C ATOM 218 NZ LYS A 18 11.992 -15.050 3.890 1.00 0.00 N ATOM 0 H LYS A 18 6.323 -14.339 1.879 1.00 0.00 H new ATOM 0 HA LYS A 18 8.933 -13.784 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.411 -16.009 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.798 -15.907 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.194 -15.550 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.995 -17.165 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.944 -16.960 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.017 -15.223 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.234 -17.022 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.631 -16.822 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.620 -15.198 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.457 -14.421 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.104 -14.615 4.212 1.00 0.00 H new ATOM 232 N TYR A 19 8.262 -12.410 -0.320 1.00 0.00 N ATOM 233 CA TYR A 19 8.744 -11.666 -1.472 1.00 0.00 C ATOM 234 C TYR A 19 10.013 -10.885 -1.128 1.00 0.00 C ATOM 235 O TYR A 19 10.010 -10.060 -0.215 1.00 0.00 O ATOM 236 CB TYR A 19 7.632 -10.679 -1.831 1.00 0.00 C ATOM 237 CG TYR A 19 8.140 -9.320 -2.319 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.964 -9.248 -3.423 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.774 -8.167 -1.654 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.443 -7.970 -3.882 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.252 -6.889 -2.113 1.00 0.00 C ATOM 242 CZ TYR A 19 9.063 -6.853 -3.205 1.00 0.00 C ATOM 243 OH TYR A 19 9.515 -5.646 -3.638 1.00 0.00 O ATOM 0 H TYR A 19 7.342 -12.126 0.017 1.00 0.00 H new ATOM 0 HA TYR A 19 8.984 -12.342 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.004 -11.120 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.999 -10.526 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.250 -10.150 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.129 -8.224 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.089 -7.900 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.973 -5.979 -1.602 1.00 0.00 H new ATOM 0 HH TYR A 19 9.162 -4.938 -3.060 1.00 0.00 H new ATOM 253 N ASP A 20 11.068 -11.171 -1.877 1.00 0.00 N ATOM 254 CA ASP A 20 12.341 -10.505 -1.662 1.00 0.00 C ATOM 255 C ASP A 20 12.520 -9.407 -2.712 1.00 0.00 C ATOM 256 O ASP A 20 12.933 -9.681 -3.838 1.00 0.00 O ATOM 257 CB ASP A 20 13.506 -11.487 -1.802 1.00 0.00 C ATOM 258 CG ASP A 20 14.886 -10.839 -1.936 1.00 0.00 C ATOM 259 OD1 ASP A 20 15.421 -10.422 -0.886 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.373 -10.774 -3.085 1.00 0.00 O ATOM 0 H ASP A 20 11.067 -11.855 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 20 12.339 -10.089 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.513 -12.145 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.330 -12.114 -2.676 1.00 0.00 H new ATOM 265 N GLY A 21 12.201 -8.187 -2.306 1.00 0.00 N ATOM 266 CA GLY A 21 12.321 -7.046 -3.197 1.00 0.00 C ATOM 267 C GLY A 21 12.678 -5.777 -2.420 1.00 0.00 C ATOM 268 O GLY A 21 13.006 -5.842 -1.236 1.00 0.00 O ATOM 0 H GLY A 21 11.859 -7.964 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.087 -7.245 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.383 -6.897 -3.731 1.00 0.00 H new ATOM 272 N GLU A 22 12.601 -4.653 -3.116 1.00 0.00 N ATOM 273 CA GLU A 22 12.912 -3.372 -2.506 1.00 0.00 C ATOM 274 C GLU A 22 11.623 -2.617 -2.172 1.00 0.00 C ATOM 275 O GLU A 22 11.098 -1.880 -3.006 1.00 0.00 O ATOM 276 CB GLU A 22 13.817 -2.537 -3.414 1.00 0.00 C ATOM 277 CG GLU A 22 15.195 -2.337 -2.779 1.00 0.00 C ATOM 278 CD GLU A 22 15.179 -1.168 -1.792 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.525 -1.323 -0.738 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.822 -0.145 -2.113 1.00 0.00 O ATOM 0 H GLU A 22 12.328 -4.603 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 22 13.454 -3.555 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.926 -3.031 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.355 -1.568 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.498 -3.249 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.935 -2.150 -3.558 1.00 0.00 H new ATOM 287 N ILE A 23 11.152 -2.826 -0.952 1.00 0.00 N ATOM 288 CA ILE A 23 9.935 -2.174 -0.498 1.00 0.00 C ATOM 289 C ILE A 23 10.178 -0.667 -0.390 1.00 0.00 C ATOM 290 O ILE A 23 10.900 -0.214 0.497 1.00 0.00 O ATOM 291 CB ILE A 23 9.438 -2.811 0.801 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.183 -3.652 0.555 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.215 -1.752 1.881 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.906 -4.583 1.737 1.00 0.00 C ATOM 0 H ILE A 23 11.591 -3.437 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 23 9.134 -2.317 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 23 10.211 -3.486 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.327 -2.996 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.308 -4.240 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.862 -2.232 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.153 -1.235 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.471 -1.033 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.009 -5.169 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.754 -5.254 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.758 -3.991 2.640 1.00 0.00 H new ATOM 306 N ARG A 24 9.562 0.067 -1.305 1.00 0.00 N ATOM 307 CA ARG A 24 9.703 1.513 -1.323 1.00 0.00 C ATOM 308 C ARG A 24 8.463 2.159 -1.944 1.00 0.00 C ATOM 309 O ARG A 24 8.171 1.948 -3.120 1.00 0.00 O ATOM 310 CB ARG A 24 10.941 1.936 -2.117 1.00 0.00 C ATOM 311 CG ARG A 24 11.623 3.142 -1.468 1.00 0.00 C ATOM 312 CD ARG A 24 11.138 4.450 -2.097 1.00 0.00 C ATOM 313 NE ARG A 24 10.454 5.278 -1.078 1.00 0.00 N ATOM 314 CZ ARG A 24 9.972 6.517 -1.310 1.00 0.00 C ATOM 315 NH1 ARG A 24 10.094 7.083 -2.530 1.00 0.00 N ATOM 316 NH2 ARG A 24 9.379 7.167 -0.326 1.00 0.00 N ATOM 0 H ARG A 24 8.964 -0.313 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 24 9.814 1.848 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.643 1.104 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.655 2.182 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.415 3.150 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.704 3.058 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.983 4.997 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.457 4.237 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 24 10.340 4.888 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.553 6.574 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.727 8.020 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.291 6.732 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.009 8.104 -0.484 1.00 0.00 H new ATOM 330 N VAL A 25 7.765 2.933 -1.125 1.00 0.00 N ATOM 331 CA VAL A 25 6.563 3.611 -1.578 1.00 0.00 C ATOM 332 C VAL A 25 6.938 4.650 -2.637 1.00 0.00 C ATOM 333 O VAL A 25 7.400 5.741 -2.305 1.00 0.00 O ATOM 334 CB VAL A 25 5.821 4.215 -0.384 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.470 4.792 -0.813 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.647 3.183 0.732 1.00 0.00 C ATOM 0 H VAL A 25 8.010 3.105 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 25 5.878 2.903 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 25 6.426 5.033 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.963 5.215 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.628 5.572 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.856 4.000 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.117 3.638 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.074 2.335 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.626 2.840 1.066 1.00 0.00 H new ATOM 346 N LEU A 26 6.724 4.276 -3.890 1.00 0.00 N ATOM 347 CA LEU A 26 7.033 5.162 -4.999 1.00 0.00 C ATOM 348 C LEU A 26 5.794 5.990 -5.345 1.00 0.00 C ATOM 349 O LEU A 26 5.878 7.210 -5.482 1.00 0.00 O ATOM 350 CB LEU A 26 7.590 4.366 -6.181 1.00 0.00 C ATOM 351 CG LEU A 26 8.596 5.101 -7.070 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.584 4.538 -8.492 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.346 6.610 -7.048 1.00 0.00 C ATOM 0 H LEU A 26 6.340 3.371 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 26 7.818 5.864 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.067 3.465 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.754 4.043 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 26 9.595 4.934 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.308 5.078 -9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.847 3.481 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.589 4.654 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.074 7.109 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.340 6.818 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.445 6.980 -6.028 1.00 0.00 H new ATOM 365 N TYR A 27 4.674 5.295 -5.475 1.00 0.00 N ATOM 366 CA TYR A 27 3.420 5.952 -5.802 1.00 0.00 C ATOM 367 C TYR A 27 2.318 5.548 -4.821 1.00 0.00 C ATOM 368 O TYR A 27 1.587 4.589 -5.063 1.00 0.00 O ATOM 369 CB TYR A 27 3.042 5.466 -7.203 1.00 0.00 C ATOM 370 CG TYR A 27 2.679 3.981 -7.269 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.674 3.025 -7.258 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.355 3.597 -7.340 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.332 1.628 -7.321 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.013 2.200 -7.403 1.00 0.00 C ATOM 375 CZ TYR A 27 2.018 1.284 -7.390 1.00 0.00 C ATOM 376 OH TYR A 27 1.695 -0.035 -7.449 1.00 0.00 O ATOM 0 H TYR A 27 4.609 4.284 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 27 3.529 7.035 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.197 6.053 -7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.875 5.656 -7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.710 3.325 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.576 4.345 -7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.102 0.870 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.019 1.886 -7.459 1.00 0.00 H new ATOM 0 HH TYR A 27 1.961 -0.474 -6.614 1.00 0.00 H new ATOM 386 N SER A 28 2.233 6.301 -3.734 1.00 0.00 N ATOM 387 CA SER A 28 1.232 6.033 -2.715 1.00 0.00 C ATOM 388 C SER A 28 -0.155 6.428 -3.227 1.00 0.00 C ATOM 389 O SER A 28 -0.440 7.611 -3.406 1.00 0.00 O ATOM 390 CB SER A 28 1.552 6.781 -1.419 1.00 0.00 C ATOM 391 OG SER A 28 2.005 8.109 -1.667 1.00 0.00 O ATOM 0 H SER A 28 2.841 7.096 -3.537 1.00 0.00 H new ATOM 0 HA SER A 28 1.242 4.965 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.663 6.813 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.315 6.235 -0.864 1.00 0.00 H new ATOM 0 HG SER A 28 1.415 8.539 -2.321 1.00 0.00 H new ATOM 397 N THR A 29 -0.979 5.415 -3.448 1.00 0.00 N ATOM 398 CA THR A 29 -2.329 5.642 -3.936 1.00 0.00 C ATOM 399 C THR A 29 -3.292 5.849 -2.765 1.00 0.00 C ATOM 400 O THR A 29 -2.988 5.474 -1.633 1.00 0.00 O ATOM 401 CB THR A 29 -2.711 4.464 -4.835 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.683 5.007 -5.724 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.467 3.370 -4.078 1.00 0.00 C ATOM 0 H THR A 29 -0.738 4.435 -3.298 1.00 0.00 H new ATOM 0 HA THR A 29 -2.387 6.555 -4.529 1.00 0.00 H new ATOM 0 HB THR A 29 -1.811 4.040 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.683 4.496 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.714 2.558 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.842 2.987 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.385 3.784 -3.660 1.00 0.00 H new ATOM 411 N LYS A 30 -4.433 6.446 -3.077 1.00 0.00 N ATOM 412 CA LYS A 30 -5.442 6.707 -2.065 1.00 0.00 C ATOM 413 C LYS A 30 -6.532 5.637 -2.149 1.00 0.00 C ATOM 414 O LYS A 30 -6.944 5.250 -3.241 1.00 0.00 O ATOM 415 CB LYS A 30 -5.972 8.137 -2.193 1.00 0.00 C ATOM 416 CG LYS A 30 -7.017 8.433 -1.116 1.00 0.00 C ATOM 417 CD LYS A 30 -8.410 8.583 -1.730 1.00 0.00 C ATOM 418 CE LYS A 30 -9.408 9.119 -0.702 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.797 8.878 -1.153 1.00 0.00 N ATOM 0 H LYS A 30 -4.681 6.756 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.007 6.641 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.146 8.844 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.412 8.279 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.025 7.628 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.749 9.347 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.364 9.259 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.752 7.618 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.243 8.635 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.248 10.187 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.460 9.186 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.977 9.415 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.931 7.863 -1.337 1.00 0.00 H new ATOM 433 N VAL A 31 -6.969 5.190 -0.981 1.00 0.00 N ATOM 434 CA VAL A 31 -8.004 4.172 -0.909 1.00 0.00 C ATOM 435 C VAL A 31 -9.339 4.776 -1.349 1.00 0.00 C ATOM 436 O VAL A 31 -9.867 5.671 -0.690 1.00 0.00 O ATOM 437 CB VAL A 31 -8.053 3.575 0.499 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.671 2.175 0.479 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.661 3.551 1.134 1.00 0.00 C ATOM 0 H VAL A 31 -6.626 5.514 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.779 3.350 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.689 4.214 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.694 1.773 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.687 2.231 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.073 1.522 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.725 3.122 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.992 2.946 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.273 4.568 1.199 1.00 0.00 H new ATOM 449 N THR A 32 -9.846 4.264 -2.461 1.00 0.00 N ATOM 450 CA THR A 32 -11.109 4.742 -2.997 1.00 0.00 C ATOM 451 C THR A 32 -12.276 4.224 -2.154 1.00 0.00 C ATOM 452 O THR A 32 -12.305 3.053 -1.780 1.00 0.00 O ATOM 453 CB THR A 32 -11.188 4.322 -4.466 1.00 0.00 C ATOM 454 OG1 THR A 32 -10.524 5.373 -5.163 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.618 4.360 -5.010 1.00 0.00 C ATOM 0 H THR A 32 -9.405 3.523 -3.005 1.00 0.00 H new ATOM 0 HA THR A 32 -11.172 5.829 -2.951 1.00 0.00 H new ATOM 0 HB THR A 32 -10.784 3.316 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.527 5.181 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.618 4.053 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.245 3.681 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.011 5.373 -4.929 1.00 0.00 H new ATOM 463 N THR A 33 -13.210 5.123 -1.878 1.00 0.00 N ATOM 464 CA THR A 33 -14.376 4.772 -1.086 1.00 0.00 C ATOM 465 C THR A 33 -14.950 3.431 -1.547 1.00 0.00 C ATOM 466 O THR A 33 -15.714 2.796 -0.822 1.00 0.00 O ATOM 467 CB THR A 33 -15.377 5.925 -1.181 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.372 5.602 -0.214 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.136 5.934 -2.509 1.00 0.00 C ATOM 0 H THR A 33 -13.182 6.094 -2.189 1.00 0.00 H new ATOM 0 HA THR A 33 -14.114 4.635 -0.037 1.00 0.00 H new ATOM 0 HB THR A 33 -14.852 6.872 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.061 6.299 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.833 6.772 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.428 6.036 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.688 5.001 -2.619 1.00 0.00 H new ATOM 477 N SER A 34 -14.559 3.038 -2.751 1.00 0.00 N ATOM 478 CA SER A 34 -15.025 1.784 -3.317 1.00 0.00 C ATOM 479 C SER A 34 -14.054 0.656 -2.960 1.00 0.00 C ATOM 480 O SER A 34 -14.120 -0.429 -3.535 1.00 0.00 O ATOM 481 CB SER A 34 -15.181 1.889 -4.835 1.00 0.00 C ATOM 482 OG SER A 34 -16.455 1.426 -5.274 1.00 0.00 O ATOM 0 H SER A 34 -13.925 3.566 -3.350 1.00 0.00 H new ATOM 0 HA SER A 34 -16.004 1.560 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.047 2.926 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.397 1.308 -5.321 1.00 0.00 H new ATOM 0 HG SER A 34 -16.516 1.511 -6.248 1.00 0.00 H new ATOM 488 N ILE A 35 -13.175 0.952 -2.014 1.00 0.00 N ATOM 489 CA ILE A 35 -12.192 -0.023 -1.574 1.00 0.00 C ATOM 490 C ILE A 35 -12.891 -1.117 -0.766 1.00 0.00 C ATOM 491 O ILE A 35 -14.083 -1.016 -0.478 1.00 0.00 O ATOM 492 CB ILE A 35 -11.053 0.667 -0.820 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.695 0.296 -1.418 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.123 0.361 0.678 1.00 0.00 C ATOM 495 CD1 ILE A 35 -8.932 -0.658 -0.496 1.00 0.00 C ATOM 0 H ILE A 35 -13.123 1.854 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.727 -0.509 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.171 1.745 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.838 -0.171 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.106 1.199 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.303 0.863 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.073 0.716 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.044 -0.715 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.970 -0.906 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.769 -0.179 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.512 -1.570 -0.355 1.00 0.00 H new ATOM 507 N THR A 36 -12.121 -2.138 -0.421 1.00 0.00 N ATOM 508 CA THR A 36 -12.652 -3.250 0.349 1.00 0.00 C ATOM 509 C THR A 36 -12.924 -2.818 1.791 1.00 0.00 C ATOM 510 O THR A 36 -12.010 -2.405 2.503 1.00 0.00 O ATOM 511 CB THR A 36 -11.665 -4.415 0.240 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.109 -5.339 1.229 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.255 -4.032 0.694 1.00 0.00 C ATOM 0 H THR A 36 -11.133 -2.219 -0.661 1.00 0.00 H new ATOM 0 HA THR A 36 -13.613 -3.581 -0.045 1.00 0.00 H new ATOM 0 HB THR A 36 -11.631 -4.767 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.367 -5.925 1.486 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.595 -4.894 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.882 -3.217 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.283 -3.712 1.736 1.00 0.00 H new ATOM 521 N SER A 37 -14.186 -2.929 2.180 1.00 0.00 N ATOM 522 CA SER A 37 -14.591 -2.554 3.524 1.00 0.00 C ATOM 523 C SER A 37 -15.151 -3.773 4.260 1.00 0.00 C ATOM 524 O SER A 37 -15.080 -3.850 5.485 1.00 0.00 O ATOM 525 CB SER A 37 -15.627 -1.429 3.494 1.00 0.00 C ATOM 526 OG SER A 37 -16.250 -1.311 2.218 1.00 0.00 O ATOM 0 H SER A 37 -14.941 -3.273 1.588 1.00 0.00 H new ATOM 0 HA SER A 37 -13.713 -2.187 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.387 -1.616 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.145 -0.486 3.751 1.00 0.00 H new ATOM 0 HG SER A 37 -16.906 -0.583 2.240 1.00 0.00 H new ATOM 532 N LYS A 38 -15.697 -4.696 3.481 1.00 0.00 N ATOM 533 CA LYS A 38 -16.269 -5.907 4.043 1.00 0.00 C ATOM 534 C LYS A 38 -15.320 -7.080 3.790 1.00 0.00 C ATOM 535 O LYS A 38 -15.019 -7.848 4.702 1.00 0.00 O ATOM 536 CB LYS A 38 -17.683 -6.132 3.504 1.00 0.00 C ATOM 537 CG LYS A 38 -17.658 -7.008 2.249 1.00 0.00 C ATOM 538 CD LYS A 38 -19.078 -7.327 1.776 1.00 0.00 C ATOM 539 CE LYS A 38 -19.689 -6.137 1.033 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.299 -6.161 -0.394 1.00 0.00 N ATOM 0 H LYS A 38 -15.755 -4.629 2.465 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.376 -5.811 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.297 -6.605 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.145 -5.172 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.112 -6.498 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.124 -7.935 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.060 -8.198 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.701 -7.584 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.775 -6.165 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.357 -5.205 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.722 -5.347 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.263 -6.112 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.637 -7.042 -0.832 1.00 0.00 H new ATOM 554 N LYS A 39 -14.875 -7.181 2.546 1.00 0.00 N ATOM 555 CA LYS A 39 -13.967 -8.248 2.160 1.00 0.00 C ATOM 556 C LYS A 39 -12.618 -8.037 2.852 1.00 0.00 C ATOM 557 O LYS A 39 -12.008 -6.977 2.721 1.00 0.00 O ATOM 558 CB LYS A 39 -13.868 -8.343 0.636 1.00 0.00 C ATOM 559 CG LYS A 39 -14.114 -9.776 0.160 1.00 0.00 C ATOM 560 CD LYS A 39 -15.612 -10.081 0.090 1.00 0.00 C ATOM 561 CE LYS A 39 -16.197 -9.651 -1.256 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.525 -10.364 -2.365 1.00 0.00 N ATOM 0 H LYS A 39 -15.126 -6.541 1.792 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.350 -9.213 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.596 -7.674 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.882 -8.012 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.664 -9.919 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.628 -10.477 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.777 -11.148 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.130 -9.564 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.267 -9.859 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.079 -8.575 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.180 -10.453 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.684 -9.830 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.239 -11.311 -2.046 1.00 0.00 H new ATOM 576 N TRP A 40 -12.192 -9.065 3.572 1.00 0.00 N ATOM 577 CA TRP A 40 -10.927 -9.006 4.284 1.00 0.00 C ATOM 578 C TRP A 40 -10.292 -10.397 4.236 1.00 0.00 C ATOM 579 O TRP A 40 -10.938 -11.389 4.570 1.00 0.00 O ATOM 580 CB TRP A 40 -11.124 -8.487 5.710 1.00 0.00 C ATOM 581 CG TRP A 40 -11.564 -7.024 5.785 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.505 -6.485 6.572 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.040 -5.927 5.007 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.625 -5.127 6.359 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.706 -4.777 5.377 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.037 -5.908 4.022 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.442 -3.522 4.814 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.784 -4.647 3.469 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.446 -3.479 3.831 1.00 0.00 C ATOM 0 H TRP A 40 -12.700 -9.943 3.677 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.249 -8.298 3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.869 -9.106 6.211 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.190 -8.603 6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.095 -7.043 7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.270 -4.496 6.835 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.504 -6.796 3.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.977 -2.636 5.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.021 -4.576 2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.193 -2.543 3.356 1.00 0.00 H new ATOM 600 N GLY A 41 -9.035 -10.425 3.819 1.00 0.00 N ATOM 601 CA GLY A 41 -8.306 -11.678 3.723 1.00 0.00 C ATOM 602 C GLY A 41 -7.091 -11.678 4.654 1.00 0.00 C ATOM 603 O GLY A 41 -6.621 -10.619 5.067 1.00 0.00 O ATOM 0 H GLY A 41 -8.503 -9.600 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.965 -12.507 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.981 -11.836 2.695 1.00 0.00 H new ATOM 607 N THR A 42 -6.618 -12.878 4.956 1.00 0.00 N ATOM 608 CA THR A 42 -5.467 -13.030 5.830 1.00 0.00 C ATOM 609 C THR A 42 -4.270 -12.254 5.277 1.00 0.00 C ATOM 610 O THR A 42 -3.484 -11.692 6.038 1.00 0.00 O ATOM 611 CB THR A 42 -5.196 -14.527 5.999 1.00 0.00 C ATOM 612 OG1 THR A 42 -5.155 -15.025 4.664 1.00 0.00 O ATOM 613 CG2 THR A 42 -6.373 -15.267 6.637 1.00 0.00 C ATOM 0 H THR A 42 -7.011 -13.754 4.611 1.00 0.00 H new ATOM 0 HA THR A 42 -5.661 -12.607 6.816 1.00 0.00 H new ATOM 0 HB THR A 42 -4.305 -14.668 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.982 -15.989 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.128 -16.325 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.574 -14.849 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.257 -15.155 6.009 1.00 0.00 H new ATOM 621 N ARG A 43 -4.170 -12.249 3.955 1.00 0.00 N ATOM 622 CA ARG A 43 -3.082 -11.551 3.291 1.00 0.00 C ATOM 623 C ARG A 43 -3.532 -10.153 2.861 1.00 0.00 C ATOM 624 O ARG A 43 -2.800 -9.447 2.170 1.00 0.00 O ATOM 625 CB ARG A 43 -2.601 -12.325 2.062 1.00 0.00 C ATOM 626 CG ARG A 43 -1.303 -13.078 2.362 1.00 0.00 C ATOM 627 CD ARG A 43 -0.610 -13.512 1.069 1.00 0.00 C ATOM 628 NE ARG A 43 -1.024 -14.887 0.709 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.387 -15.655 -0.201 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.700 -15.188 -0.851 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.844 -16.869 -0.444 1.00 0.00 N ATOM 0 H ARG A 43 -4.824 -12.717 3.327 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.258 -11.469 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.370 -13.030 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.442 -11.636 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.634 -12.441 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.519 -13.953 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.864 -12.824 0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.472 -13.470 1.195 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.841 -15.279 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.046 -14.248 -0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.175 -15.775 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.666 -17.213 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.375 -17.463 -1.128 1.00 0.00 H new ATOM 645 N ASP A 44 -4.735 -9.796 3.288 1.00 0.00 N ATOM 646 CA ASP A 44 -5.291 -8.496 2.955 1.00 0.00 C ATOM 647 C ASP A 44 -5.210 -7.583 4.181 1.00 0.00 C ATOM 648 O ASP A 44 -5.037 -8.058 5.302 1.00 0.00 O ATOM 649 CB ASP A 44 -6.761 -8.613 2.550 1.00 0.00 C ATOM 650 CG ASP A 44 -7.118 -7.957 1.214 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.591 -8.439 0.187 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.908 -6.990 1.250 1.00 0.00 O ATOM 0 H ASP A 44 -5.339 -10.384 3.861 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.719 -8.088 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.026 -9.669 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.375 -8.166 3.332 1.00 0.00 H new ATOM 657 N LEU A 45 -5.338 -6.289 3.925 1.00 0.00 N ATOM 658 CA LEU A 45 -5.282 -5.306 4.993 1.00 0.00 C ATOM 659 C LEU A 45 -6.705 -4.923 5.403 1.00 0.00 C ATOM 660 O LEU A 45 -7.630 -5.001 4.596 1.00 0.00 O ATOM 661 CB LEU A 45 -4.419 -4.113 4.578 1.00 0.00 C ATOM 662 CG LEU A 45 -3.591 -3.465 5.689 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.437 -4.375 6.115 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.101 -2.077 5.270 1.00 0.00 C ATOM 0 H LEU A 45 -5.480 -5.899 2.993 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.799 -5.728 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.741 -4.438 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.069 -3.352 4.146 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.234 -3.331 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.864 -3.890 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.836 -5.320 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.788 -4.563 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.515 -1.639 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.481 -2.164 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.958 -1.438 5.055 1.00 0.00 H new ATOM 676 N GLN A 46 -6.836 -4.516 6.657 1.00 0.00 N ATOM 677 CA GLN A 46 -8.131 -4.121 7.184 1.00 0.00 C ATOM 678 C GLN A 46 -8.373 -2.631 6.934 1.00 0.00 C ATOM 679 O GLN A 46 -9.048 -1.967 7.720 1.00 0.00 O ATOM 680 CB GLN A 46 -8.241 -4.451 8.674 1.00 0.00 C ATOM 681 CG GLN A 46 -9.508 -3.842 9.279 1.00 0.00 C ATOM 682 CD GLN A 46 -10.027 -4.695 10.438 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.004 -4.300 11.592 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.494 -5.884 10.068 1.00 0.00 N ATOM 0 H GLN A 46 -6.067 -4.451 7.323 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.902 -4.688 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.252 -5.532 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.364 -4.072 9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.298 -2.832 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.278 -3.758 8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.484 -6.152 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.862 -6.528 10.768 1.00 0.00 H new ATOM 693 N VAL A 47 -7.809 -2.148 5.837 1.00 0.00 N ATOM 694 CA VAL A 47 -7.955 -0.749 5.474 1.00 0.00 C ATOM 695 C VAL A 47 -9.427 -0.454 5.178 1.00 0.00 C ATOM 696 O VAL A 47 -10.207 -1.369 4.918 1.00 0.00 O ATOM 697 CB VAL A 47 -7.031 -0.414 4.301 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.574 -0.738 4.641 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.472 -1.141 3.030 1.00 0.00 C ATOM 0 H VAL A 47 -7.250 -2.701 5.187 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.655 -0.106 6.302 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.101 0.658 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.938 -0.491 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.264 -0.154 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.481 -1.800 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.798 -0.885 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.445 -2.218 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.487 -0.839 2.772 1.00 0.00 H new ATOM 709 N LYS A 48 -9.762 0.827 5.227 1.00 0.00 N ATOM 710 CA LYS A 48 -11.126 1.253 4.967 1.00 0.00 C ATOM 711 C LYS A 48 -11.167 2.051 3.662 1.00 0.00 C ATOM 712 O LYS A 48 -10.170 2.652 3.267 1.00 0.00 O ATOM 713 CB LYS A 48 -11.688 2.014 6.171 1.00 0.00 C ATOM 714 CG LYS A 48 -12.717 1.167 6.922 1.00 0.00 C ATOM 715 CD LYS A 48 -12.030 0.119 7.799 1.00 0.00 C ATOM 716 CE LYS A 48 -11.291 0.778 8.965 1.00 0.00 C ATOM 717 NZ LYS A 48 -11.913 0.399 10.254 1.00 0.00 N ATOM 0 H LYS A 48 -9.112 1.583 5.443 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.776 0.388 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.876 2.288 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.151 2.942 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.341 1.811 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.377 0.673 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.772 -0.581 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.327 -0.459 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.244 0.476 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.311 1.862 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.399 0.855 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.906 0.709 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.872 -0.634 10.369 1.00 0.00 H new ATOM 731 N PRO A 49 -12.362 2.030 3.013 1.00 0.00 N ATOM 732 CA PRO A 49 -12.546 2.743 1.761 1.00 0.00 C ATOM 733 C PRO A 49 -12.664 4.250 2.001 1.00 0.00 C ATOM 734 O PRO A 49 -13.472 4.691 2.817 1.00 0.00 O ATOM 735 CB PRO A 49 -13.798 2.140 1.144 1.00 0.00 C ATOM 736 CG PRO A 49 -14.527 1.442 2.281 1.00 0.00 C ATOM 737 CD PRO A 49 -13.565 1.328 3.452 1.00 0.00 C ATOM 0 HA PRO A 49 -11.696 2.636 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.423 2.912 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.543 1.435 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.414 2.007 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.866 0.454 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.981 1.780 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.351 0.286 3.689 1.00 0.00 H new ATOM 745 N GLY A 50 -11.847 4.998 1.275 1.00 0.00 N ATOM 746 CA GLY A 50 -11.849 6.446 1.398 1.00 0.00 C ATOM 747 C GLY A 50 -10.704 6.922 2.295 1.00 0.00 C ATOM 748 O GLY A 50 -10.663 8.086 2.689 1.00 0.00 O ATOM 0 H GLY A 50 -11.179 4.629 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.755 6.898 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.801 6.778 1.811 1.00 0.00 H new ATOM 752 N GLU A 51 -9.803 5.996 2.591 1.00 0.00 N ATOM 753 CA GLU A 51 -8.661 6.307 3.433 1.00 0.00 C ATOM 754 C GLU A 51 -7.387 6.389 2.591 1.00 0.00 C ATOM 755 O GLU A 51 -7.394 6.039 1.411 1.00 0.00 O ATOM 756 CB GLU A 51 -8.511 5.277 4.555 1.00 0.00 C ATOM 757 CG GLU A 51 -7.573 5.791 5.649 1.00 0.00 C ATOM 758 CD GLU A 51 -7.836 7.269 5.947 1.00 0.00 C ATOM 759 OE1 GLU A 51 -8.912 7.550 6.517 1.00 0.00 O ATOM 760 OE2 GLU A 51 -6.954 8.083 5.599 1.00 0.00 O ATOM 0 H GLU A 51 -9.841 5.031 2.263 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.830 7.279 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.489 5.056 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.123 4.344 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.711 5.203 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.537 5.658 5.337 1.00 0.00 H new ATOM 767 N SER A 52 -6.322 6.853 3.229 1.00 0.00 N ATOM 768 CA SER A 52 -5.043 6.985 2.552 1.00 0.00 C ATOM 769 C SER A 52 -4.111 5.846 2.969 1.00 0.00 C ATOM 770 O SER A 52 -3.954 5.570 4.157 1.00 0.00 O ATOM 771 CB SER A 52 -4.397 8.338 2.856 1.00 0.00 C ATOM 772 OG SER A 52 -5.271 9.197 3.583 1.00 0.00 O ATOM 0 H SER A 52 -6.319 7.142 4.207 1.00 0.00 H new ATOM 0 HA SER A 52 -5.217 6.929 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.483 8.182 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.110 8.820 1.922 1.00 0.00 H new ATOM 0 HG SER A 52 -4.821 10.049 3.758 1.00 0.00 H new ATOM 778 N LEU A 53 -3.516 5.214 1.967 1.00 0.00 N ATOM 779 CA LEU A 53 -2.603 4.111 2.215 1.00 0.00 C ATOM 780 C LEU A 53 -1.421 4.206 1.249 1.00 0.00 C ATOM 781 O LEU A 53 -1.580 4.638 0.108 1.00 0.00 O ATOM 782 CB LEU A 53 -3.347 2.775 2.147 1.00 0.00 C ATOM 783 CG LEU A 53 -3.175 1.977 0.854 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.704 1.632 0.613 1.00 0.00 C ATOM 785 CD2 LEU A 53 -4.063 0.731 0.856 1.00 0.00 C ATOM 0 H LEU A 53 -3.649 5.445 0.982 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.196 4.173 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.016 2.155 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.410 2.966 2.294 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.499 2.602 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.610 1.065 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.123 2.551 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.330 1.034 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.921 0.182 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.794 0.094 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.108 1.029 0.946 1.00 0.00 H new ATOM 797 N GLU A 54 -0.261 3.796 1.741 1.00 0.00 N ATOM 798 CA GLU A 54 0.948 3.830 0.936 1.00 0.00 C ATOM 799 C GLU A 54 0.977 2.642 -0.027 1.00 0.00 C ATOM 800 O GLU A 54 0.746 1.504 0.378 1.00 0.00 O ATOM 801 CB GLU A 54 2.196 3.850 1.820 1.00 0.00 C ATOM 802 CG GLU A 54 2.782 5.261 1.909 1.00 0.00 C ATOM 803 CD GLU A 54 4.028 5.282 2.797 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.909 4.819 3.952 1.00 0.00 O ATOM 805 OE2 GLU A 54 5.070 5.760 2.300 1.00 0.00 O ATOM 0 H GLU A 54 -0.133 3.438 2.688 1.00 0.00 H new ATOM 0 HA GLU A 54 0.945 4.749 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.944 3.493 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.943 3.167 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.037 5.617 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.034 5.945 2.310 1.00 0.00 H new ATOM 812 N VAL A 55 1.264 2.946 -1.285 1.00 0.00 N ATOM 813 CA VAL A 55 1.327 1.917 -2.308 1.00 0.00 C ATOM 814 C VAL A 55 2.789 1.553 -2.570 1.00 0.00 C ATOM 815 O VAL A 55 3.610 2.425 -2.850 1.00 0.00 O ATOM 816 CB VAL A 55 0.593 2.385 -3.567 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.167 1.715 -4.817 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.911 2.132 -3.450 1.00 0.00 C ATOM 0 H VAL A 55 1.455 3.891 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 55 0.822 1.012 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 55 0.745 3.460 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.628 2.065 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.223 1.969 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.060 0.634 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.409 2.473 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.091 1.065 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.306 2.677 -2.592 1.00 0.00 H new ATOM 828 N ILE A 56 3.072 0.262 -2.469 1.00 0.00 N ATOM 829 CA ILE A 56 4.421 -0.229 -2.691 1.00 0.00 C ATOM 830 C ILE A 56 4.574 -0.643 -4.156 1.00 0.00 C ATOM 831 O ILE A 56 4.126 0.067 -5.055 1.00 0.00 O ATOM 832 CB ILE A 56 4.756 -1.344 -1.699 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.366 -0.946 -0.274 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.229 -1.743 -1.799 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.154 -1.756 0.757 1.00 0.00 C ATOM 0 H ILE A 56 2.389 -0.459 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 56 5.149 0.561 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 56 4.166 -2.222 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.553 0.118 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.298 -1.106 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.440 -2.537 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.442 -2.097 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.856 -0.879 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.858 -1.453 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.946 -2.817 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.221 -1.575 0.624 1.00 0.00 H new ATOM 847 N GLN A 57 5.208 -1.790 -4.350 1.00 0.00 N ATOM 848 CA GLN A 57 5.426 -2.307 -5.691 1.00 0.00 C ATOM 849 C GLN A 57 4.297 -3.263 -6.081 1.00 0.00 C ATOM 850 O GLN A 57 3.668 -3.872 -5.217 1.00 0.00 O ATOM 851 CB GLN A 57 6.788 -2.994 -5.799 1.00 0.00 C ATOM 852 CG GLN A 57 7.915 -1.965 -5.907 1.00 0.00 C ATOM 853 CD GLN A 57 7.895 -1.272 -7.271 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.401 -1.776 -8.260 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.284 -0.090 -7.268 1.00 0.00 N ATOM 0 H GLN A 57 5.578 -2.376 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 57 5.423 -1.469 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.951 -3.626 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.802 -3.647 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.811 -1.222 -5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.877 -2.456 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.881 0.274 -6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.218 0.452 -8.129 1.00 0.00 H new ATOM 864 N THR A 58 4.073 -3.364 -7.383 1.00 0.00 N ATOM 865 CA THR A 58 3.031 -4.235 -7.898 1.00 0.00 C ATOM 866 C THR A 58 3.378 -5.700 -7.626 1.00 0.00 C ATOM 867 O THR A 58 4.413 -6.191 -8.075 1.00 0.00 O ATOM 868 CB THR A 58 2.843 -3.921 -9.383 1.00 0.00 C ATOM 869 OG1 THR A 58 4.164 -3.671 -9.855 1.00 0.00 O ATOM 870 CG2 THR A 58 2.108 -2.599 -9.614 1.00 0.00 C ATOM 0 H THR A 58 4.596 -2.857 -8.097 1.00 0.00 H new ATOM 0 HA THR A 58 2.082 -4.059 -7.391 1.00 0.00 H new ATOM 0 HB THR A 58 2.290 -4.731 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.762 -4.383 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.001 -2.424 -10.685 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.121 -2.646 -9.154 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.677 -1.783 -9.168 1.00 0.00 H new ATOM 878 N THR A 59 2.493 -6.358 -6.891 1.00 0.00 N ATOM 879 CA THR A 59 2.693 -7.758 -6.554 1.00 0.00 C ATOM 880 C THR A 59 2.923 -8.584 -7.821 1.00 0.00 C ATOM 881 O THR A 59 4.049 -8.991 -8.105 1.00 0.00 O ATOM 882 CB THR A 59 1.487 -8.224 -5.736 1.00 0.00 C ATOM 883 OG1 THR A 59 1.820 -7.870 -4.396 1.00 0.00 O ATOM 884 CG2 THR A 59 1.358 -9.748 -5.698 1.00 0.00 C ATOM 0 H THR A 59 1.636 -5.948 -6.520 1.00 0.00 H new ATOM 0 HA THR A 59 3.588 -7.895 -5.948 1.00 0.00 H new ATOM 0 HB THR A 59 0.577 -7.794 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.366 -8.477 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.486 -10.025 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.242 -10.129 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.254 -10.178 -5.249 1.00 0.00 H new ATOM 892 N ASP A 60 1.839 -8.806 -8.549 1.00 0.00 N ATOM 893 CA ASP A 60 1.908 -9.577 -9.779 1.00 0.00 C ATOM 894 C ASP A 60 1.804 -8.629 -10.976 1.00 0.00 C ATOM 895 O ASP A 60 2.814 -8.118 -11.457 1.00 0.00 O ATOM 896 CB ASP A 60 0.755 -10.578 -9.868 1.00 0.00 C ATOM 897 CG ASP A 60 0.477 -11.122 -11.271 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.356 -11.849 -11.782 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.608 -10.798 -11.800 1.00 0.00 O ATOM 0 H ASP A 60 0.907 -8.465 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 60 2.855 -10.117 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.970 -11.417 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.151 -10.100 -9.494 1.00 0.00 H new ATOM 904 N ASP A 61 0.574 -8.423 -11.421 1.00 0.00 N ATOM 905 CA ASP A 61 0.325 -7.546 -12.553 1.00 0.00 C ATOM 906 C ASP A 61 -0.548 -6.373 -12.101 1.00 0.00 C ATOM 907 O ASP A 61 -0.158 -5.214 -12.240 1.00 0.00 O ATOM 908 CB ASP A 61 -0.417 -8.283 -13.669 1.00 0.00 C ATOM 909 CG ASP A 61 0.400 -9.360 -14.386 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.639 -9.198 -14.429 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.233 -10.320 -14.876 1.00 0.00 O ATOM 0 H ASP A 61 -0.261 -8.848 -11.019 1.00 0.00 H new ATOM 0 HA ASP A 61 1.288 -7.199 -12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.310 -8.745 -13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.753 -7.553 -14.405 1.00 0.00 H new ATOM 916 N THR A 62 -1.712 -6.714 -11.568 1.00 0.00 N ATOM 917 CA THR A 62 -2.643 -5.703 -11.094 1.00 0.00 C ATOM 918 C THR A 62 -2.885 -5.863 -9.592 1.00 0.00 C ATOM 919 O THR A 62 -3.979 -6.237 -9.172 1.00 0.00 O ATOM 920 CB THR A 62 -3.920 -5.808 -11.930 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.479 -6.353 -13.171 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.489 -4.438 -12.305 1.00 0.00 C ATOM 0 H THR A 62 -2.032 -7.676 -11.454 1.00 0.00 H new ATOM 0 HA THR A 62 -2.236 -4.700 -11.220 1.00 0.00 H new ATOM 0 HB THR A 62 -4.670 -6.373 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.245 -6.456 -13.774 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.394 -4.570 -12.898 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.727 -3.882 -11.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.752 -3.885 -12.887 1.00 0.00 H new ATOM 930 N LYS A 63 -1.846 -5.572 -8.824 1.00 0.00 N ATOM 931 CA LYS A 63 -1.931 -5.679 -7.377 1.00 0.00 C ATOM 932 C LYS A 63 -0.907 -4.738 -6.739 1.00 0.00 C ATOM 933 O LYS A 63 0.263 -4.739 -7.119 1.00 0.00 O ATOM 934 CB LYS A 63 -1.785 -7.137 -6.938 1.00 0.00 C ATOM 935 CG LYS A 63 -1.739 -7.248 -5.413 1.00 0.00 C ATOM 936 CD LYS A 63 -1.874 -8.705 -4.965 1.00 0.00 C ATOM 937 CE LYS A 63 -2.264 -8.790 -3.488 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.734 -8.704 -3.333 1.00 0.00 N ATOM 0 H LYS A 63 -0.940 -5.262 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.914 -5.363 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.620 -7.722 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.875 -7.560 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.800 -6.835 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.542 -6.654 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.626 -9.208 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.931 -9.228 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.902 -9.727 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.786 -7.983 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.061 -9.462 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.987 -7.781 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.188 -8.809 -4.263 1.00 0.00 H new ATOM 952 N VAL A 64 -1.384 -3.958 -5.780 1.00 0.00 N ATOM 953 CA VAL A 64 -0.524 -3.015 -5.086 1.00 0.00 C ATOM 954 C VAL A 64 -0.479 -3.372 -3.599 1.00 0.00 C ATOM 955 O VAL A 64 -1.519 -3.588 -2.977 1.00 0.00 O ATOM 956 CB VAL A 64 -1.002 -1.584 -5.343 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.904 -1.233 -6.829 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.426 -1.380 -4.824 1.00 0.00 C ATOM 0 H VAL A 64 -2.355 -3.960 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 64 0.496 -3.076 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.346 -0.908 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.250 -0.211 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.132 -1.320 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.525 -1.918 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.741 -0.355 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.100 -2.070 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.453 -1.570 -3.751 1.00 0.00 H new ATOM 968 N LEU A 65 0.735 -3.422 -3.071 1.00 0.00 N ATOM 969 CA LEU A 65 0.929 -3.749 -1.669 1.00 0.00 C ATOM 970 C LEU A 65 0.815 -2.473 -0.832 1.00 0.00 C ATOM 971 O LEU A 65 1.496 -1.485 -1.104 1.00 0.00 O ATOM 972 CB LEU A 65 2.248 -4.499 -1.471 1.00 0.00 C ATOM 973 CG LEU A 65 3.020 -4.171 -0.191 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.249 -4.632 1.048 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.433 -4.757 -0.238 1.00 0.00 C ATOM 0 H LEU A 65 1.595 -3.241 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 65 0.149 -4.428 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.040 -5.569 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.893 -4.291 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 65 3.122 -3.088 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.820 -4.387 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.283 -4.128 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.094 -5.710 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.960 -4.510 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.374 -5.840 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.972 -4.339 -1.088 1.00 0.00 H new ATOM 987 N CYS A 66 -0.050 -2.536 0.170 1.00 0.00 N ATOM 988 CA CYS A 66 -0.262 -1.398 1.048 1.00 0.00 C ATOM 989 C CYS A 66 0.741 -1.487 2.200 1.00 0.00 C ATOM 990 O CYS A 66 1.222 -2.571 2.526 1.00 0.00 O ATOM 991 CB CYS A 66 -1.705 -1.332 1.551 1.00 0.00 C ATOM 992 SG CYS A 66 -1.794 -0.311 3.067 1.00 0.00 S ATOM 0 H CYS A 66 -0.612 -3.357 0.393 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.098 -0.473 0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.349 -0.909 0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.073 -2.337 1.757 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.131 -0.893 4.022 1.00 0.00 H new ATOM 998 N ARG A 67 1.026 -0.333 2.785 1.00 0.00 N ATOM 999 CA ARG A 67 1.963 -0.267 3.894 1.00 0.00 C ATOM 1000 C ARG A 67 1.433 0.670 4.981 1.00 0.00 C ATOM 1001 O ARG A 67 0.771 1.663 4.681 1.00 0.00 O ATOM 1002 CB ARG A 67 3.334 0.226 3.428 1.00 0.00 C ATOM 1003 CG ARG A 67 4.458 -0.476 4.193 1.00 0.00 C ATOM 1004 CD ARG A 67 5.804 0.202 3.934 1.00 0.00 C ATOM 1005 NE ARG A 67 5.992 0.416 2.482 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.157 0.800 1.918 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.249 1.017 2.681 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.212 0.962 0.609 1.00 0.00 N ATOM 0 H ARG A 67 0.625 0.564 2.512 1.00 0.00 H new ATOM 0 HA ARG A 67 2.070 -1.274 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.447 0.042 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.406 1.304 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.240 -0.463 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.510 -1.522 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.847 1.156 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.613 -0.414 4.327 1.00 0.00 H new ATOM 0 HE ARG A 67 5.191 0.264 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.198 0.891 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.125 1.307 2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.382 0.797 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.084 1.252 0.167 1.00 0.00 H new ATOM 1022 N ASN A 68 1.746 0.323 6.221 1.00 0.00 N ATOM 1023 CA ASN A 68 1.310 1.121 7.354 1.00 0.00 C ATOM 1024 C ASN A 68 2.535 1.677 8.082 1.00 0.00 C ATOM 1025 O ASN A 68 3.499 0.952 8.325 1.00 0.00 O ATOM 1026 CB ASN A 68 0.512 0.276 8.349 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.896 -0.009 7.821 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -1.086 -0.663 6.808 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -1.868 0.517 8.560 1.00 0.00 N ATOM 0 H ASN A 68 2.296 -0.500 6.466 1.00 0.00 H new ATOM 0 HA ASN A 68 0.679 1.925 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.032 -0.664 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.448 0.797 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.843 0.384 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.639 1.054 9.397 1.00 0.00 H new ATOM 1036 N GLU A 69 2.458 2.958 8.411 1.00 0.00 N ATOM 1037 CA GLU A 69 3.549 3.619 9.107 1.00 0.00 C ATOM 1038 C GLU A 69 3.897 2.862 10.390 1.00 0.00 C ATOM 1039 O GLU A 69 4.973 3.052 10.955 1.00 0.00 O ATOM 1040 CB GLU A 69 3.203 5.079 9.409 1.00 0.00 C ATOM 1041 CG GLU A 69 4.453 5.869 9.800 1.00 0.00 C ATOM 1042 CD GLU A 69 5.187 6.384 8.560 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.872 5.876 7.463 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.047 7.274 8.739 1.00 0.00 O ATOM 0 H GLU A 69 1.657 3.556 8.208 1.00 0.00 H new ATOM 0 HA GLU A 69 4.424 3.614 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.739 5.535 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.473 5.124 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.173 6.709 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.120 5.235 10.385 1.00 0.00 H new ATOM 1051 N GLU A 70 2.966 2.019 10.812 1.00 0.00 N ATOM 1052 CA GLU A 70 3.161 1.232 12.018 1.00 0.00 C ATOM 1053 C GLU A 70 4.062 0.029 11.727 1.00 0.00 C ATOM 1054 O GLU A 70 4.413 -0.722 12.636 1.00 0.00 O ATOM 1055 CB GLU A 70 1.820 0.783 12.602 1.00 0.00 C ATOM 1056 CG GLU A 70 1.886 0.706 14.129 1.00 0.00 C ATOM 1057 CD GLU A 70 1.246 1.940 14.768 1.00 0.00 C ATOM 1058 OE1 GLU A 70 0.049 2.167 14.490 1.00 0.00 O ATOM 1059 OE2 GLU A 70 1.968 2.628 15.522 1.00 0.00 O ATOM 0 H GLU A 70 2.075 1.864 10.341 1.00 0.00 H new ATOM 0 HA GLU A 70 3.653 1.859 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.037 1.480 12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.551 -0.192 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.375 -0.193 14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.925 0.624 14.448 1.00 0.00 H new ATOM 1066 N GLY A 71 4.410 -0.115 10.457 1.00 0.00 N ATOM 1067 CA GLY A 71 5.263 -1.213 10.036 1.00 0.00 C ATOM 1068 C GLY A 71 4.432 -2.448 9.680 1.00 0.00 C ATOM 1069 O GLY A 71 4.933 -3.570 9.720 1.00 0.00 O ATOM 0 H GLY A 71 4.117 0.510 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.855 -0.908 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.964 -1.460 10.833 1.00 0.00 H new ATOM 1073 N LYS A 72 3.176 -2.198 9.339 1.00 0.00 N ATOM 1074 CA LYS A 72 2.271 -3.275 8.977 1.00 0.00 C ATOM 1075 C LYS A 72 1.961 -3.193 7.481 1.00 0.00 C ATOM 1076 O LYS A 72 1.483 -2.167 6.998 1.00 0.00 O ATOM 1077 CB LYS A 72 1.026 -3.251 9.865 1.00 0.00 C ATOM 1078 CG LYS A 72 0.457 -4.659 10.051 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.027 -4.704 9.681 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.905 -4.686 10.934 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.565 -3.526 11.788 1.00 0.00 N ATOM 0 H LYS A 72 2.764 -1.265 9.306 1.00 0.00 H new ATOM 0 HA LYS A 72 2.741 -4.243 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.276 -2.825 10.837 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.269 -2.605 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.011 -5.364 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.587 -4.974 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.274 -3.852 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.234 -5.603 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.956 -4.639 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.768 -5.611 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.342 -3.347 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.693 -3.728 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.421 -2.686 11.192 1.00 0.00 H new ATOM 1095 N TYR A 73 2.244 -4.286 6.789 1.00 0.00 N ATOM 1096 CA TYR A 73 2.001 -4.351 5.358 1.00 0.00 C ATOM 1097 C TYR A 73 0.753 -5.181 5.050 1.00 0.00 C ATOM 1098 O TYR A 73 0.354 -6.027 5.848 1.00 0.00 O ATOM 1099 CB TYR A 73 3.223 -5.045 4.753 1.00 0.00 C ATOM 1100 CG TYR A 73 4.505 -4.212 4.813 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.114 -3.970 6.027 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.053 -3.704 3.652 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.321 -3.186 6.084 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.259 -2.920 3.709 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.834 -2.700 4.921 1.00 0.00 C ATOM 1106 OH TYR A 73 7.974 -1.960 4.975 1.00 0.00 O ATOM 0 H TYR A 73 2.640 -5.135 7.193 1.00 0.00 H new ATOM 0 HA TYR A 73 1.843 -3.352 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.389 -5.987 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.010 -5.291 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.686 -4.368 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.577 -3.895 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.808 -2.988 7.028 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.697 -2.515 2.809 1.00 0.00 H new ATOM 0 HH TYR A 73 8.748 -2.556 5.051 1.00 0.00 H new ATOM 1116 N GLY A 74 0.172 -4.910 3.891 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.022 -5.621 3.468 1.00 0.00 C ATOM 1118 C GLY A 74 -1.175 -5.579 1.946 1.00 0.00 C ATOM 1119 O GLY A 74 -0.587 -4.726 1.283 1.00 0.00 O ATOM 0 H GLY A 74 0.506 -4.207 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.971 -6.657 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.900 -5.177 3.938 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.968 -6.511 1.437 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.206 -6.591 0.006 1.00 0.00 C ATOM 1125 C TYR A 75 -3.579 -6.019 -0.354 1.00 0.00 C ATOM 1126 O TYR A 75 -4.511 -6.080 0.446 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.180 -8.080 -0.343 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.782 -8.624 -0.643 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.105 -7.874 -1.389 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.407 -9.865 -0.169 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.421 -8.386 -1.671 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.909 -10.377 -0.451 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.758 -9.612 -1.189 1.00 0.00 C ATOM 1134 OH TYR A 75 3.001 -10.096 -1.456 1.00 0.00 O ATOM 0 H TYR A 75 -2.454 -7.217 1.990 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.455 -6.020 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.608 -8.644 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.819 -8.251 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.188 -6.903 -1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.101 -10.452 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.125 -7.809 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.215 -11.346 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 75 3.552 -10.045 -0.647 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.660 -5.476 -1.560 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.903 -4.894 -2.037 1.00 0.00 C ATOM 1146 C VAL A 76 -5.096 -5.251 -3.512 1.00 0.00 C ATOM 1147 O VAL A 76 -4.224 -4.986 -4.337 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.906 -3.386 -1.781 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.335 -2.840 -1.736 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.149 -3.046 -0.496 1.00 0.00 C ATOM 0 H VAL A 76 -2.885 -5.427 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.752 -5.305 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.389 -2.905 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.308 -1.766 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.829 -3.034 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.887 -3.331 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.167 -1.968 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.624 -3.544 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.116 -3.383 -0.582 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.244 -5.847 -3.799 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.563 -6.242 -5.160 1.00 0.00 C ATOM 1162 C LEU A 77 -7.014 -5.013 -5.951 1.00 0.00 C ATOM 1163 O LEU A 77 -7.711 -4.150 -5.420 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.582 -7.383 -5.162 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.366 -8.474 -6.212 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.650 -9.271 -6.448 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.812 -7.883 -7.510 1.00 0.00 C ATOM 0 H LEU A 77 -6.965 -6.066 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.678 -6.636 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.578 -7.849 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.574 -6.957 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.620 -9.172 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.468 -10.040 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.963 -9.741 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.435 -8.601 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.667 -8.680 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.516 -7.151 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.857 -7.397 -7.310 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.598 -4.973 -7.209 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.950 -3.864 -8.079 1.00 0.00 C ATOM 1181 C ARG A 78 -8.471 -3.718 -8.162 1.00 0.00 C ATOM 1182 O ARG A 78 -8.977 -2.658 -8.529 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.386 -4.067 -9.486 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.357 -4.869 -10.355 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.067 -6.369 -10.261 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.331 -7.119 -10.092 1.00 0.00 N ATOM 1187 CZ ARG A 78 -9.068 -7.600 -11.116 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -8.673 -7.411 -12.393 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -10.182 -8.256 -10.850 1.00 0.00 N ATOM 0 H ARG A 78 -6.020 -5.691 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.517 -2.958 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.194 -3.099 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.430 -4.587 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.381 -4.673 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.276 -4.544 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.552 -6.705 -11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.402 -6.567 -9.421 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.667 -7.283 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.812 -6.901 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.236 -7.778 -13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.475 -8.393 -9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.750 -8.626 -11.612 1.00 0.00 H new ATOM 1203 N SER A 79 -9.157 -4.797 -7.817 1.00 0.00 N ATOM 1204 CA SER A 79 -10.610 -4.802 -7.848 1.00 0.00 C ATOM 1205 C SER A 79 -11.154 -3.586 -7.095 1.00 0.00 C ATOM 1206 O SER A 79 -11.853 -2.756 -7.673 1.00 0.00 O ATOM 1207 CB SER A 79 -11.169 -6.093 -7.246 1.00 0.00 C ATOM 1208 OG SER A 79 -12.513 -6.334 -7.656 1.00 0.00 O ATOM 0 H SER A 79 -8.734 -5.674 -7.514 1.00 0.00 H new ATOM 0 HA SER A 79 -10.930 -4.750 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.542 -6.933 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.127 -6.034 -6.158 1.00 0.00 H new ATOM 0 HG SER A 79 -12.834 -7.168 -7.253 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.812 -3.520 -5.817 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.258 -2.420 -4.979 1.00 0.00 C ATOM 1216 C TYR A 80 -10.070 -1.595 -4.480 1.00 0.00 C ATOM 1217 O TYR A 80 -9.580 -1.812 -3.373 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.958 -3.060 -3.779 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.185 -4.223 -3.154 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.184 -3.973 -2.237 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.487 -5.523 -3.508 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.456 -5.068 -1.650 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.759 -6.617 -2.920 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.779 -6.335 -2.020 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.092 -7.369 -1.465 1.00 0.00 O ATOM 0 H TYR A 80 -10.231 -4.210 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.914 -1.753 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.123 -2.297 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.940 -3.416 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.947 -2.956 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.269 -5.719 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.670 -4.886 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.986 -7.638 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.785 -7.115 -0.570 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.640 -0.666 -5.322 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.519 0.192 -4.980 1.00 0.00 C ATOM 1237 C LEU A 81 -8.459 1.362 -5.964 1.00 0.00 C ATOM 1238 O LEU A 81 -9.226 1.410 -6.925 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.224 -0.620 -4.911 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.998 0.016 -5.569 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.262 0.931 -4.589 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.075 -1.054 -6.158 1.00 0.00 C ATOM 0 H LEU A 81 -10.048 -0.489 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.655 0.617 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.992 -0.809 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.401 -1.589 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.339 0.639 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.395 1.370 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.932 1.725 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.934 0.351 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.211 -0.575 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.739 -1.721 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.617 -1.628 -6.910 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.541 2.277 -5.692 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.371 3.444 -6.541 1.00 0.00 C ATOM 1256 C ALA A 82 -6.566 3.053 -7.782 1.00 0.00 C ATOM 1257 O ALA A 82 -6.073 1.930 -7.878 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.703 4.565 -5.742 1.00 0.00 C ATOM 0 H ALA A 82 -6.906 2.234 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.338 3.817 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.576 5.440 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.328 4.826 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.728 4.229 -5.388 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.458 4.001 -8.701 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.721 3.769 -9.932 1.00 0.00 C ATOM 1266 C ASP A 83 -4.285 3.363 -9.593 1.00 0.00 C ATOM 1267 O ASP A 83 -3.865 3.458 -8.441 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.664 5.037 -10.787 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.680 5.093 -11.929 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -6.399 4.462 -12.970 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -7.716 5.765 -11.735 1.00 0.00 O ATOM 0 H ASP A 83 -6.868 4.931 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.231 2.982 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.819 5.901 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.662 5.129 -11.207 1.00 0.00 H new