USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 19 GLN : amide:sc= -0.203 X(o=0.29,f=-0.2) USER MOD Set 1.2: A 26 SER OG : rot -109:sc= 0.497 USER MOD Set 2.1: A 16 ASN : amide:sc= 0.943 K(o=2.2,f=-0.94) USER MOD Set 2.2: A 28 SER OG : rot -81:sc= 1.21 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.846 K(o=-0.85,f=-2.4) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.262 (180deg=-0.158) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 36 THR OG1 : rot -16:sc= 1.08 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.794 X(o=-0.79,f=-1.1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 122:sc= 2.15 USER MOD Single : A 58 ASN : amide:sc= -0.0429 K(o=-0.043,f=-0.82) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -12.518 -3.920 -0.392 1.00 0.00 N ATOM 117 CA LEU A 9 -11.802 -2.770 0.150 1.00 0.00 C ATOM 118 C LEU A 9 -10.855 -2.183 -0.893 1.00 0.00 C ATOM 119 O LEU A 9 -9.785 -2.733 -1.155 1.00 0.00 O ATOM 120 CB LEU A 9 -11.020 -3.178 1.404 1.00 0.00 C ATOM 121 CG LEU A 9 -10.634 -2.032 2.344 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.209 -2.578 3.698 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.519 -1.189 1.742 1.00 0.00 C ATOM 0 HA LEU A 9 -12.532 -2.006 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.616 -3.898 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.110 -3.691 1.092 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.508 -1.396 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.938 -1.751 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.034 -3.137 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.350 -3.237 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.262 -0.382 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.642 -1.813 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.853 -0.767 0.794 1.00 0.00 H new ATOM 135 N VAL A 10 -11.254 -1.060 -1.480 1.00 0.00 N ATOM 136 CA VAL A 10 -10.439 -0.391 -2.486 1.00 0.00 C ATOM 137 C VAL A 10 -9.705 0.793 -1.871 1.00 0.00 C ATOM 138 O VAL A 10 -10.274 1.539 -1.074 1.00 0.00 O ATOM 139 CB VAL A 10 -11.293 0.101 -3.672 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.409 0.686 -4.763 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.148 -1.031 -4.221 1.00 0.00 C ATOM 0 H VAL A 10 -12.138 -0.594 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.718 -1.119 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.957 0.888 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.030 1.027 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.845 1.528 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.717 -0.077 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.744 -0.665 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.504 -1.841 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.810 -1.399 -3.438 1.00 0.00 H new ATOM 151 N VAL A 11 -8.439 0.959 -2.239 1.00 0.00 N ATOM 152 CA VAL A 11 -7.629 2.047 -1.704 1.00 0.00 C ATOM 153 C VAL A 11 -7.046 2.909 -2.824 1.00 0.00 C ATOM 154 O VAL A 11 -6.822 2.431 -3.936 1.00 0.00 O ATOM 155 CB VAL A 11 -6.485 1.496 -0.827 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.363 0.927 -1.685 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.960 2.570 0.113 1.00 0.00 C ATOM 0 H VAL A 11 -7.953 0.356 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.283 2.669 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.887 0.683 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.570 0.546 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.752 0.116 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.963 1.711 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.154 2.159 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.582 3.410 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.767 2.912 0.762 1.00 0.00 H new ATOM 167 N ARG A 12 -6.806 4.184 -2.524 1.00 0.00 N ATOM 168 CA ARG A 12 -6.245 5.111 -3.504 1.00 0.00 C ATOM 169 C ARG A 12 -5.012 5.809 -2.945 1.00 0.00 C ATOM 170 O ARG A 12 -5.054 6.398 -1.866 1.00 0.00 O ATOM 171 CB ARG A 12 -7.284 6.155 -3.916 1.00 0.00 C ATOM 172 CG ARG A 12 -6.795 7.104 -4.999 1.00 0.00 C ATOM 173 CD ARG A 12 -7.813 8.196 -5.283 1.00 0.00 C ATOM 174 NE ARG A 12 -7.997 9.083 -4.137 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.893 10.066 -4.100 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.687 10.284 -5.140 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.994 10.830 -3.022 1.00 0.00 N ATOM 0 H ARG A 12 -6.991 4.598 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.955 4.533 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.180 5.644 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.572 6.735 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.852 7.555 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.596 6.544 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.488 8.779 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.768 7.742 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.405 8.941 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.612 9.697 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.373 11.038 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.385 10.665 -2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.681 11.584 -2.994 1.00 0.00 H new ATOM 191 N ALA A 13 -3.916 5.738 -3.690 1.00 0.00 N ATOM 192 CA ALA A 13 -2.665 6.364 -3.280 1.00 0.00 C ATOM 193 C ALA A 13 -2.819 7.875 -3.146 1.00 0.00 C ATOM 194 O ALA A 13 -3.252 8.549 -4.080 1.00 0.00 O ATOM 195 CB ALA A 13 -1.567 6.033 -4.276 1.00 0.00 C ATOM 0 H ALA A 13 -3.868 5.251 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.393 5.968 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.636 6.505 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.429 4.953 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.847 6.404 -5.262 1.00 0.00 H new ATOM 201 N LYS A 14 -2.460 8.402 -1.979 1.00 0.00 N ATOM 202 CA LYS A 14 -2.551 9.835 -1.729 1.00 0.00 C ATOM 203 C LYS A 14 -1.216 10.518 -2.008 1.00 0.00 C ATOM 204 O LYS A 14 -1.144 11.464 -2.794 1.00 0.00 O ATOM 205 CB LYS A 14 -2.983 10.099 -0.286 1.00 0.00 C ATOM 206 CG LYS A 14 -4.363 9.551 0.047 1.00 0.00 C ATOM 207 CD LYS A 14 -4.797 9.937 1.453 1.00 0.00 C ATOM 208 CE LYS A 14 -5.064 11.431 1.569 1.00 0.00 C ATOM 209 NZ LYS A 14 -5.526 11.809 2.932 1.00 0.00 N ATOM 0 H LYS A 14 -2.104 7.858 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.300 10.250 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.252 9.655 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.974 11.174 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.088 9.928 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.356 8.465 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.698 9.384 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.023 9.649 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.155 11.982 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.817 11.723 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.697 12.834 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.408 11.303 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.797 11.554 3.629 1.00 0.00 H new ATOM 223 N PHE A 15 -0.162 10.032 -1.360 1.00 0.00 N ATOM 224 CA PHE A 15 1.172 10.592 -1.540 1.00 0.00 C ATOM 225 C PHE A 15 1.994 9.729 -2.495 1.00 0.00 C ATOM 226 O PHE A 15 1.691 8.554 -2.698 1.00 0.00 O ATOM 227 CB PHE A 15 1.891 10.708 -0.192 1.00 0.00 C ATOM 228 CG PHE A 15 1.051 11.325 0.893 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.335 12.489 0.661 1.00 0.00 C ATOM 230 CD2 PHE A 15 0.979 10.737 2.148 1.00 0.00 C ATOM 231 CE1 PHE A 15 -0.438 13.055 1.658 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.207 11.300 3.148 1.00 0.00 C ATOM 233 CZ PHE A 15 -0.502 12.459 2.902 1.00 0.00 C ATOM 0 H PHE A 15 -0.206 9.251 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 15 1.067 11.588 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.208 9.715 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.794 11.304 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.381 12.959 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.532 9.830 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.991 13.962 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.159 10.833 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.106 12.899 3.682 1.00 0.00 H new ATOM 243 N ASN A 16 3.030 10.321 -3.080 1.00 0.00 N ATOM 244 CA ASN A 16 3.894 9.606 -4.012 1.00 0.00 C ATOM 245 C ASN A 16 4.836 8.665 -3.268 1.00 0.00 C ATOM 246 O ASN A 16 5.265 8.956 -2.151 1.00 0.00 O ATOM 247 CB ASN A 16 4.704 10.596 -4.851 1.00 0.00 C ATOM 248 CG ASN A 16 5.564 9.906 -5.892 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.130 9.673 -7.020 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.795 9.575 -5.518 1.00 0.00 N ATOM 0 H ASN A 16 3.292 11.295 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 16 3.261 9.012 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.024 11.289 -5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.340 11.189 -4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.420 9.109 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.115 9.787 -4.573 1.00 0.00 H new ATOM 257 N PHE A 17 5.153 7.535 -3.894 1.00 0.00 N ATOM 258 CA PHE A 17 6.044 6.552 -3.290 1.00 0.00 C ATOM 259 C PHE A 17 6.897 5.871 -4.354 1.00 0.00 C ATOM 260 O PHE A 17 6.392 5.466 -5.400 1.00 0.00 O ATOM 261 CB PHE A 17 5.230 5.505 -2.530 1.00 0.00 C ATOM 262 CG PHE A 17 6.020 4.759 -1.493 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.777 3.651 -1.839 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.001 5.165 -0.169 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.498 2.962 -0.884 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.720 4.480 0.791 1.00 0.00 C ATOM 267 CZ PHE A 17 7.470 3.377 0.434 1.00 0.00 C ATOM 0 H PHE A 17 4.806 7.279 -4.818 1.00 0.00 H new ATOM 0 HA PHE A 17 6.705 7.069 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.385 5.996 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.818 4.791 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.803 3.323 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.417 6.028 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.083 2.100 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.696 4.807 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.033 2.840 1.183 1.00 0.00 H new ATOM 277 N GLN A 18 8.193 5.750 -4.082 1.00 0.00 N ATOM 278 CA GLN A 18 9.114 5.117 -5.019 1.00 0.00 C ATOM 279 C GLN A 18 9.585 3.765 -4.493 1.00 0.00 C ATOM 280 O GLN A 18 10.013 3.649 -3.344 1.00 0.00 O ATOM 281 CB GLN A 18 10.317 6.025 -5.282 1.00 0.00 C ATOM 282 CG GLN A 18 11.045 6.454 -4.018 1.00 0.00 C ATOM 283 CD GLN A 18 12.235 7.349 -4.309 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.239 8.099 -5.285 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.254 7.273 -3.460 1.00 0.00 N ATOM 0 H GLN A 18 8.628 6.082 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 18 8.581 4.955 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.017 5.505 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.981 6.913 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.350 6.980 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.383 5.569 -3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.208 6.637 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.082 7.851 -3.604 1.00 0.00 H new ATOM 294 N GLN A 19 9.500 2.744 -5.341 1.00 0.00 N ATOM 295 CA GLN A 19 9.915 1.399 -4.964 1.00 0.00 C ATOM 296 C GLN A 19 11.408 1.202 -5.208 1.00 0.00 C ATOM 297 O GLN A 19 12.002 1.878 -6.048 1.00 0.00 O ATOM 298 CB GLN A 19 9.112 0.356 -5.745 1.00 0.00 C ATOM 299 CG GLN A 19 9.331 0.416 -7.249 1.00 0.00 C ATOM 300 CD GLN A 19 8.403 -0.510 -8.014 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.035 -0.232 -9.155 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.019 -1.619 -7.391 1.00 0.00 N ATOM 0 H GLN A 19 9.147 2.824 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 19 9.721 1.270 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.380 -0.638 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.051 0.495 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.181 1.439 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.365 0.153 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.347 -1.812 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.396 -2.277 -7.859 1.00 0.00 H new ATOM 311 N THR A 20 12.006 0.275 -4.468 1.00 0.00 N ATOM 312 CA THR A 20 13.430 -0.009 -4.602 1.00 0.00 C ATOM 313 C THR A 20 13.675 -1.088 -5.651 1.00 0.00 C ATOM 314 O THR A 20 14.693 -1.074 -6.343 1.00 0.00 O ATOM 315 CB THR A 20 14.041 -0.463 -3.265 1.00 0.00 C ATOM 316 OG1 THR A 20 13.433 -1.688 -2.836 1.00 0.00 O ATOM 317 CG2 THR A 20 13.850 0.601 -2.195 1.00 0.00 C ATOM 0 H THR A 20 11.527 -0.293 -3.769 1.00 0.00 H new ATOM 0 HA THR A 20 13.910 0.918 -4.915 1.00 0.00 H new ATOM 0 HB THR A 20 15.109 -0.621 -3.416 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.830 -1.970 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.290 0.258 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.338 1.524 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.785 0.784 -2.050 1.00 0.00 H new ATOM 325 N ASN A 21 12.730 -2.016 -5.767 1.00 0.00 N ATOM 326 CA ASN A 21 12.834 -3.111 -6.727 1.00 0.00 C ATOM 327 C ASN A 21 11.451 -3.552 -7.197 1.00 0.00 C ATOM 328 O ASN A 21 10.433 -3.075 -6.695 1.00 0.00 O ATOM 329 CB ASN A 21 13.569 -4.300 -6.100 1.00 0.00 C ATOM 330 CG ASN A 21 15.045 -4.026 -5.873 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.704 -3.389 -6.694 1.00 0.00 O ATOM 332 ND2 ASN A 21 15.567 -4.505 -4.749 1.00 0.00 N ATOM 0 H ASN A 21 11.879 -2.032 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 21 13.399 -2.753 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.100 -4.550 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.461 -5.170 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.553 -4.350 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.982 -5.028 -4.097 1.00 0.00 H new ATOM 339 N GLU A 22 11.422 -4.468 -8.162 1.00 0.00 N ATOM 340 CA GLU A 22 10.164 -4.977 -8.696 1.00 0.00 C ATOM 341 C GLU A 22 9.429 -5.807 -7.647 1.00 0.00 C ATOM 342 O GLU A 22 8.245 -6.110 -7.797 1.00 0.00 O ATOM 343 CB GLU A 22 10.421 -5.823 -9.945 1.00 0.00 C ATOM 344 CG GLU A 22 11.077 -5.050 -11.078 1.00 0.00 C ATOM 345 CD GLU A 22 11.232 -5.881 -12.337 1.00 0.00 C ATOM 346 OE1 GLU A 22 12.246 -6.599 -12.453 1.00 0.00 O ATOM 347 OE2 GLU A 22 10.337 -5.812 -13.206 1.00 0.00 O ATOM 0 H GLU A 22 12.255 -4.872 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 22 9.539 -4.126 -8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.056 -6.668 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.475 -6.234 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.481 -4.165 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.058 -4.701 -10.755 1.00 0.00 H new ATOM 354 N ASP A 23 10.143 -6.171 -6.587 1.00 0.00 N ATOM 355 CA ASP A 23 9.564 -6.962 -5.507 1.00 0.00 C ATOM 356 C ASP A 23 8.574 -6.132 -4.694 1.00 0.00 C ATOM 357 O ASP A 23 7.701 -6.677 -4.018 1.00 0.00 O ATOM 358 CB ASP A 23 10.668 -7.500 -4.595 1.00 0.00 C ATOM 359 CG ASP A 23 11.645 -8.393 -5.334 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.544 -7.855 -6.014 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.510 -9.631 -5.234 1.00 0.00 O ATOM 0 H ASP A 23 11.125 -5.930 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 23 9.027 -7.801 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.208 -6.664 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.218 -8.059 -3.775 1.00 0.00 H new ATOM 366 N GLU A 24 8.719 -4.813 -4.766 1.00 0.00 N ATOM 367 CA GLU A 24 7.841 -3.902 -4.040 1.00 0.00 C ATOM 368 C GLU A 24 6.732 -3.385 -4.956 1.00 0.00 C ATOM 369 O GLU A 24 6.431 -4.000 -5.981 1.00 0.00 O ATOM 370 CB GLU A 24 8.655 -2.736 -3.469 1.00 0.00 C ATOM 371 CG GLU A 24 8.083 -2.154 -2.186 1.00 0.00 C ATOM 372 CD GLU A 24 9.049 -1.211 -1.497 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.220 -0.075 -1.987 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.633 -1.608 -0.467 1.00 0.00 O ATOM 0 H GLU A 24 9.438 -4.350 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 24 7.377 -4.443 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.673 -3.075 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.716 -1.947 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.159 -1.622 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.825 -2.966 -1.506 1.00 0.00 H new ATOM 381 N LEU A 25 6.126 -2.258 -4.591 1.00 0.00 N ATOM 382 CA LEU A 25 5.052 -1.676 -5.391 1.00 0.00 C ATOM 383 C LEU A 25 5.048 -0.154 -5.273 1.00 0.00 C ATOM 384 O LEU A 25 4.843 0.395 -4.190 1.00 0.00 O ATOM 385 CB LEU A 25 3.697 -2.246 -4.946 1.00 0.00 C ATOM 386 CG LEU A 25 2.531 -2.010 -5.913 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.409 -3.001 -5.642 1.00 0.00 C ATOM 388 CD2 LEU A 25 2.010 -0.585 -5.794 1.00 0.00 C ATOM 0 H LEU A 25 6.359 -1.731 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 25 5.223 -1.936 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.807 -3.320 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.439 -1.811 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 25 2.897 -2.160 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.589 -2.821 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.781 -4.017 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.053 -2.877 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.183 -0.441 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.663 -0.408 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.810 0.116 -6.031 1.00 0.00 H new ATOM 400 N SER A 26 5.279 0.520 -6.396 1.00 0.00 N ATOM 401 CA SER A 26 5.299 1.980 -6.428 1.00 0.00 C ATOM 402 C SER A 26 3.934 2.535 -6.823 1.00 0.00 C ATOM 403 O SER A 26 3.126 1.842 -7.441 1.00 0.00 O ATOM 404 CB SER A 26 6.364 2.474 -7.407 1.00 0.00 C ATOM 405 OG SER A 26 6.174 1.911 -8.695 1.00 0.00 O ATOM 0 H SER A 26 5.455 0.078 -7.298 1.00 0.00 H new ATOM 0 HA SER A 26 5.541 2.337 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.326 3.561 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.354 2.212 -7.035 1.00 0.00 H new ATOM 0 HG SER A 26 6.886 1.263 -8.877 1.00 0.00 H new ATOM 411 N PHE A 27 3.682 3.792 -6.467 1.00 0.00 N ATOM 412 CA PHE A 27 2.413 4.435 -6.789 1.00 0.00 C ATOM 413 C PHE A 27 2.503 5.950 -6.631 1.00 0.00 C ATOM 414 O PHE A 27 3.348 6.460 -5.895 1.00 0.00 O ATOM 415 CB PHE A 27 1.298 3.882 -5.901 1.00 0.00 C ATOM 416 CG PHE A 27 1.630 3.892 -4.434 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.543 5.062 -3.695 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.020 2.729 -3.795 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.842 5.070 -2.346 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.323 2.730 -2.447 1.00 0.00 C ATOM 421 CZ PHE A 27 2.232 3.901 -1.721 1.00 0.00 C ATOM 0 H PHE A 27 4.338 4.383 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 27 2.183 4.216 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.393 4.467 -6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.076 2.860 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.238 5.978 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.089 1.809 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.771 5.988 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.631 1.816 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.465 3.903 -0.666 1.00 0.00 H new ATOM 431 N SER A 28 1.623 6.662 -7.329 1.00 0.00 N ATOM 432 CA SER A 28 1.591 8.119 -7.272 1.00 0.00 C ATOM 433 C SER A 28 0.165 8.622 -7.068 1.00 0.00 C ATOM 434 O SER A 28 -0.797 7.894 -7.317 1.00 0.00 O ATOM 435 CB SER A 28 2.173 8.712 -8.556 1.00 0.00 C ATOM 436 OG SER A 28 3.514 8.298 -8.749 1.00 0.00 O ATOM 0 H SER A 28 0.920 6.251 -7.943 1.00 0.00 H new ATOM 0 HA SER A 28 2.197 8.439 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.568 8.404 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.128 9.800 -8.510 1.00 0.00 H new ATOM 0 HG SER A 28 4.110 8.853 -8.204 1.00 0.00 H new ATOM 442 N LYS A 29 0.037 9.864 -6.605 1.00 0.00 N ATOM 443 CA LYS A 29 -1.271 10.472 -6.369 1.00 0.00 C ATOM 444 C LYS A 29 -2.212 10.227 -7.547 1.00 0.00 C ATOM 445 O LYS A 29 -2.064 10.836 -8.607 1.00 0.00 O ATOM 446 CB LYS A 29 -1.121 11.976 -6.129 1.00 0.00 C ATOM 447 CG LYS A 29 -2.440 12.688 -5.866 1.00 0.00 C ATOM 448 CD LYS A 29 -2.259 14.197 -5.794 1.00 0.00 C ATOM 449 CE LYS A 29 -1.479 14.611 -4.555 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.239 14.337 -3.303 1.00 0.00 N ATOM 0 H LYS A 29 0.827 10.471 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.702 10.007 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.457 12.135 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.641 12.428 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.150 12.444 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.868 12.328 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.737 14.544 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.236 14.681 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.530 14.076 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.244 15.674 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.986 15.042 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.259 14.392 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.003 13.386 -2.955 1.00 0.00 H new ATOM 464 N GLY A 30 -3.177 9.331 -7.355 1.00 0.00 N ATOM 465 CA GLY A 30 -4.126 9.029 -8.412 1.00 0.00 C ATOM 466 C GLY A 30 -4.247 7.541 -8.684 1.00 0.00 C ATOM 467 O GLY A 30 -5.352 7.026 -8.861 1.00 0.00 O ATOM 0 H GLY A 30 -3.318 8.811 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.104 9.425 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.819 9.537 -9.326 1.00 0.00 H new ATOM 471 N ASP A 31 -3.111 6.850 -8.719 1.00 0.00 N ATOM 472 CA ASP A 31 -3.095 5.414 -8.975 1.00 0.00 C ATOM 473 C ASP A 31 -3.933 4.661 -7.946 1.00 0.00 C ATOM 474 O ASP A 31 -3.669 4.729 -6.745 1.00 0.00 O ATOM 475 CB ASP A 31 -1.657 4.892 -8.965 1.00 0.00 C ATOM 476 CG ASP A 31 -0.793 5.565 -10.014 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.193 6.615 -9.702 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.719 5.043 -11.145 1.00 0.00 O ATOM 0 H ASP A 31 -2.189 7.262 -8.573 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.531 5.242 -9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.221 5.054 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.662 3.816 -9.138 1.00 0.00 H new ATOM 483 N VAL A 32 -4.944 3.943 -8.428 1.00 0.00 N ATOM 484 CA VAL A 32 -5.825 3.172 -7.557 1.00 0.00 C ATOM 485 C VAL A 32 -5.305 1.749 -7.385 1.00 0.00 C ATOM 486 O VAL A 32 -5.113 1.028 -8.363 1.00 0.00 O ATOM 487 CB VAL A 32 -7.261 3.119 -8.116 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.175 2.350 -7.175 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.792 4.525 -8.357 1.00 0.00 C ATOM 0 H VAL A 32 -5.173 3.879 -9.420 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.840 3.674 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.239 2.594 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.184 2.324 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.804 1.332 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.193 2.842 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.807 4.468 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.798 5.078 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.152 5.038 -9.075 1.00 0.00 H new ATOM 499 N ILE A 33 -5.089 1.347 -6.136 1.00 0.00 N ATOM 500 CA ILE A 33 -4.579 0.011 -5.844 1.00 0.00 C ATOM 501 C ILE A 33 -5.663 -0.880 -5.247 1.00 0.00 C ATOM 502 O ILE A 33 -6.420 -0.457 -4.373 1.00 0.00 O ATOM 503 CB ILE A 33 -3.382 0.070 -4.874 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.276 0.956 -5.454 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.856 -1.332 -4.592 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.148 1.238 -4.485 1.00 0.00 C ATOM 0 H ILE A 33 -5.258 1.925 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.251 -0.416 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.715 0.505 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.867 0.476 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.712 1.902 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.011 -1.272 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.646 -1.934 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.534 -1.794 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.403 1.871 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.542 1.747 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.685 0.299 -4.183 1.00 0.00 H new ATOM 518 N HIS A 34 -5.731 -2.118 -5.730 1.00 0.00 N ATOM 519 CA HIS A 34 -6.717 -3.079 -5.248 1.00 0.00 C ATOM 520 C HIS A 34 -6.131 -3.943 -4.136 1.00 0.00 C ATOM 521 O HIS A 34 -5.139 -4.642 -4.340 1.00 0.00 O ATOM 522 CB HIS A 34 -7.200 -3.965 -6.398 1.00 0.00 C ATOM 523 CG HIS A 34 -8.307 -4.898 -6.014 1.00 0.00 C ATOM 524 ND1 HIS A 34 -8.087 -6.176 -5.542 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.652 -4.733 -6.034 1.00 0.00 C ATOM 526 CE1 HIS A 34 -9.247 -6.756 -5.292 1.00 0.00 C ATOM 527 NE2 HIS A 34 -10.211 -5.902 -5.581 1.00 0.00 N ATOM 0 H HIS A 34 -5.113 -2.479 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.565 -2.525 -4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.539 -3.330 -7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.359 -4.548 -6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.184 -3.847 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.384 -7.759 -4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.210 -6.082 -5.483 1.00 0.00 H new ATOM 536 N VAL A 35 -6.752 -3.895 -2.961 1.00 0.00 N ATOM 537 CA VAL A 35 -6.286 -4.671 -1.818 1.00 0.00 C ATOM 538 C VAL A 35 -6.620 -6.151 -1.977 1.00 0.00 C ATOM 539 O VAL A 35 -7.719 -6.510 -2.400 1.00 0.00 O ATOM 540 CB VAL A 35 -6.900 -4.158 -0.499 1.00 0.00 C ATOM 541 CG1 VAL A 35 -6.439 -5.005 0.679 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.543 -2.696 -0.279 1.00 0.00 C ATOM 0 H VAL A 35 -7.579 -3.327 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.204 -4.549 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.984 -4.242 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.885 -4.624 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.749 -6.039 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.353 -4.959 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.984 -2.350 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.459 -2.589 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.929 -2.099 -1.105 1.00 0.00 H new ATOM 552 N THR A 36 -5.660 -7.004 -1.636 1.00 0.00 N ATOM 553 CA THR A 36 -5.847 -8.447 -1.728 1.00 0.00 C ATOM 554 C THR A 36 -5.584 -9.107 -0.380 1.00 0.00 C ATOM 555 O THR A 36 -6.035 -10.224 -0.122 1.00 0.00 O ATOM 556 CB THR A 36 -4.919 -9.072 -2.787 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.551 -8.816 -2.451 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.220 -8.510 -4.168 1.00 0.00 C ATOM 0 H THR A 36 -4.743 -6.720 -1.293 1.00 0.00 H new ATOM 0 HA THR A 36 -6.881 -8.620 -2.026 1.00 0.00 H new ATOM 0 HB THR A 36 -5.094 -10.148 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.506 -8.094 -1.790 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.553 -8.966 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.254 -8.731 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.069 -7.430 -4.162 1.00 0.00 H new ATOM 566 N ARG A 37 -4.849 -8.403 0.475 1.00 0.00 N ATOM 567 CA ARG A 37 -4.522 -8.901 1.804 1.00 0.00 C ATOM 568 C ARG A 37 -4.326 -7.740 2.773 1.00 0.00 C ATOM 569 O ARG A 37 -3.347 -7.000 2.679 1.00 0.00 O ATOM 570 CB ARG A 37 -3.257 -9.761 1.756 1.00 0.00 C ATOM 571 CG ARG A 37 -2.891 -10.381 3.096 1.00 0.00 C ATOM 572 CD ARG A 37 -1.615 -11.201 2.999 1.00 0.00 C ATOM 573 NE ARG A 37 -1.232 -11.771 4.288 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.165 -12.543 4.466 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.621 -12.841 3.441 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.117 -13.019 5.671 1.00 0.00 N ATOM 0 H ARG A 37 -4.467 -7.480 0.268 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.351 -9.516 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.396 -10.556 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.425 -9.149 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.764 -9.594 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.708 -11.016 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.754 -12.004 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.807 -10.572 2.626 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.817 -11.565 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.408 -12.477 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.439 -13.434 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.485 -12.793 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.936 -13.611 5.806 1.00 0.00 H new ATOM 590 N VAL A 38 -5.264 -7.586 3.702 1.00 0.00 N ATOM 591 CA VAL A 38 -5.197 -6.511 4.683 1.00 0.00 C ATOM 592 C VAL A 38 -4.827 -7.045 6.063 1.00 0.00 C ATOM 593 O VAL A 38 -5.472 -7.952 6.585 1.00 0.00 O ATOM 594 CB VAL A 38 -6.535 -5.743 4.770 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.703 -6.707 4.920 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.512 -4.748 5.921 1.00 0.00 C ATOM 0 H VAL A 38 -6.079 -8.192 3.795 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.419 -5.824 4.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.667 -5.189 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.634 -6.144 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.737 -7.374 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.576 -7.294 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.464 -4.219 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.351 -5.280 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.705 -4.032 5.767 1.00 0.00 H new ATOM 650 N TRP A 43 1.298 -2.285 6.691 1.00 0.00 N ATOM 651 CA TRP A 43 1.754 -2.863 5.433 1.00 0.00 C ATOM 652 C TRP A 43 0.747 -3.845 4.853 1.00 0.00 C ATOM 653 O TRP A 43 0.440 -4.870 5.460 1.00 0.00 O ATOM 654 CB TRP A 43 3.090 -3.568 5.636 1.00 0.00 C ATOM 655 CG TRP A 43 4.265 -2.677 5.404 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.105 -2.164 6.348 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.728 -2.189 4.142 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.070 -1.392 5.749 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.861 -1.393 4.394 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.297 -2.353 2.819 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.569 -0.760 3.376 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.003 -1.723 1.810 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.129 -0.938 2.093 1.00 0.00 C ATOM 0 HA TRP A 43 1.867 -2.043 4.724 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.135 -3.962 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.150 -4.421 4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.023 -2.339 7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.820 -0.898 6.233 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.432 -2.958 2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.434 -0.151 3.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.681 -1.838 0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.660 -0.464 1.281 1.00 0.00 H new ATOM 674 N TRP A 44 0.244 -3.521 3.668 1.00 0.00 N ATOM 675 CA TRP A 44 -0.711 -4.375 2.980 1.00 0.00 C ATOM 676 C TRP A 44 -0.135 -4.832 1.643 1.00 0.00 C ATOM 677 O TRP A 44 0.952 -4.410 1.252 1.00 0.00 O ATOM 678 CB TRP A 44 -2.034 -3.635 2.745 1.00 0.00 C ATOM 679 CG TRP A 44 -2.718 -3.170 4.000 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.425 -3.528 5.287 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.823 -2.263 4.080 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.274 -2.889 6.158 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.143 -2.110 5.442 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.570 -1.564 3.129 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.179 -1.286 5.875 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.598 -0.747 3.560 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.895 -0.613 4.922 1.00 0.00 C ATOM 0 H TRP A 44 0.484 -2.668 3.163 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.905 -5.244 3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.845 -2.771 2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.711 -4.292 2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.641 -4.213 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.259 -2.980 7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.348 -1.660 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.409 -1.182 6.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.183 -0.202 2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.705 0.034 5.226 1.00 0.00 H new ATOM 698 N GLU A 45 -0.865 -5.697 0.955 1.00 0.00 N ATOM 699 CA GLU A 45 -0.437 -6.206 -0.343 1.00 0.00 C ATOM 700 C GLU A 45 -1.584 -6.144 -1.346 1.00 0.00 C ATOM 701 O GLU A 45 -2.668 -6.671 -1.096 1.00 0.00 O ATOM 702 CB GLU A 45 0.071 -7.645 -0.217 1.00 0.00 C ATOM 703 CG GLU A 45 0.477 -8.267 -1.544 1.00 0.00 C ATOM 704 CD GLU A 45 1.053 -9.660 -1.381 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.283 -9.775 -1.193 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.275 -10.635 -1.440 1.00 0.00 O ATOM 0 H GLU A 45 -1.762 -6.064 1.275 1.00 0.00 H new ATOM 0 HA GLU A 45 0.378 -5.578 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.926 -7.661 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.707 -8.257 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.391 -8.311 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.213 -7.628 -2.031 1.00 0.00 H new ATOM 713 N GLY A 46 -1.339 -5.495 -2.481 1.00 0.00 N ATOM 714 CA GLY A 46 -2.366 -5.372 -3.500 1.00 0.00 C ATOM 715 C GLY A 46 -1.821 -5.527 -4.905 1.00 0.00 C ATOM 716 O GLY A 46 -0.691 -5.978 -5.095 1.00 0.00 O ATOM 0 H GLY A 46 -0.449 -5.053 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.134 -6.126 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.848 -4.399 -3.408 1.00 0.00 H new ATOM 720 N THR A 47 -2.628 -5.150 -5.893 1.00 0.00 N ATOM 721 CA THR A 47 -2.227 -5.252 -7.291 1.00 0.00 C ATOM 722 C THR A 47 -2.462 -3.937 -8.031 1.00 0.00 C ATOM 723 O THR A 47 -3.397 -3.196 -7.725 1.00 0.00 O ATOM 724 CB THR A 47 -2.992 -6.381 -8.011 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.757 -7.630 -7.350 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.567 -6.487 -9.469 1.00 0.00 C ATOM 0 H THR A 47 -3.564 -4.771 -5.750 1.00 0.00 H new ATOM 0 HA THR A 47 -1.161 -5.481 -7.300 1.00 0.00 H new ATOM 0 HB THR A 47 -4.055 -6.144 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.247 -8.342 -7.812 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.122 -7.291 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.775 -5.546 -9.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.499 -6.700 -9.522 1.00 0.00 H new ATOM 734 N LEU A 48 -1.604 -3.658 -9.007 1.00 0.00 N ATOM 735 CA LEU A 48 -1.706 -2.440 -9.802 1.00 0.00 C ATOM 736 C LEU A 48 -1.170 -2.683 -11.211 1.00 0.00 C ATOM 737 O LEU A 48 -0.467 -3.664 -11.453 1.00 0.00 O ATOM 738 CB LEU A 48 -0.939 -1.296 -9.129 1.00 0.00 C ATOM 739 CG LEU A 48 -1.100 0.078 -9.790 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.566 0.474 -9.857 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.302 1.130 -9.034 1.00 0.00 C ATOM 0 H LEU A 48 -0.826 -4.264 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.756 -2.157 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.265 -1.222 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.121 -1.551 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.714 0.014 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.657 1.452 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.116 -0.264 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.977 0.518 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.428 2.099 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.659 1.188 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.753 0.858 -9.037 1.00 0.00 H new ATOM 753 N ASN A 49 -1.517 -1.795 -12.138 1.00 0.00 N ATOM 754 CA ASN A 49 -1.075 -1.919 -13.523 1.00 0.00 C ATOM 755 C ASN A 49 0.446 -2.027 -13.619 1.00 0.00 C ATOM 756 O ASN A 49 1.164 -1.049 -13.413 1.00 0.00 O ATOM 757 CB ASN A 49 -1.571 -0.728 -14.346 1.00 0.00 C ATOM 758 CG ASN A 49 -1.348 0.598 -13.645 1.00 0.00 C ATOM 759 OD1 ASN A 49 -2.202 1.065 -12.891 1.00 0.00 O ATOM 760 ND2 ASN A 49 -0.197 1.214 -13.890 1.00 0.00 N ATOM 0 H ASN A 49 -2.104 -0.981 -11.955 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.502 -2.837 -13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.058 -0.717 -15.308 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.634 -0.851 -14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.007 2.110 -13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.483 0.791 -14.522 1.00 0.00 H new ATOM 767 N GLY A 50 0.926 -3.229 -13.932 1.00 0.00 N ATOM 768 CA GLY A 50 2.355 -3.454 -14.064 1.00 0.00 C ATOM 769 C GLY A 50 3.099 -3.358 -12.745 1.00 0.00 C ATOM 770 O GLY A 50 4.327 -3.443 -12.715 1.00 0.00 O ATOM 0 H GLY A 50 0.348 -4.053 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.523 -4.440 -14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.768 -2.725 -14.761 1.00 0.00 H new ATOM 774 N ARG A 51 2.361 -3.185 -11.655 1.00 0.00 N ATOM 775 CA ARG A 51 2.970 -3.077 -10.334 1.00 0.00 C ATOM 776 C ARG A 51 2.239 -3.948 -9.319 1.00 0.00 C ATOM 777 O ARG A 51 1.063 -3.728 -9.029 1.00 0.00 O ATOM 778 CB ARG A 51 2.967 -1.622 -9.866 1.00 0.00 C ATOM 779 CG ARG A 51 3.714 -0.681 -10.797 1.00 0.00 C ATOM 780 CD ARG A 51 3.601 0.764 -10.337 1.00 0.00 C ATOM 781 NE ARG A 51 4.279 1.685 -11.246 1.00 0.00 N ATOM 782 CZ ARG A 51 4.392 2.992 -11.024 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.877 3.529 -9.926 1.00 0.00 N ATOM 784 NH2 ARG A 51 5.022 3.762 -11.900 1.00 0.00 N ATOM 0 H ARG A 51 1.343 -3.117 -11.659 1.00 0.00 H new ATOM 0 HA ARG A 51 3.999 -3.428 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.936 -1.282 -9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.414 -1.568 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.764 -0.969 -10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.315 -0.775 -11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.549 1.039 -10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.028 0.861 -9.339 1.00 0.00 H new ATOM 0 HE ARG A 51 4.689 1.305 -12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.393 2.940 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.965 4.531 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.421 3.353 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.108 4.764 -11.729 1.00 0.00 H new ATOM 798 N THR A 52 2.947 -4.933 -8.776 1.00 0.00 N ATOM 799 CA THR A 52 2.369 -5.834 -7.787 1.00 0.00 C ATOM 800 C THR A 52 3.319 -6.032 -6.614 1.00 0.00 C ATOM 801 O THR A 52 4.531 -6.152 -6.796 1.00 0.00 O ATOM 802 CB THR A 52 2.038 -7.210 -8.396 1.00 0.00 C ATOM 803 OG1 THR A 52 1.194 -7.051 -9.542 1.00 0.00 O ATOM 804 CG2 THR A 52 1.349 -8.102 -7.370 1.00 0.00 C ATOM 0 H THR A 52 3.922 -5.127 -9.005 1.00 0.00 H new ATOM 0 HA THR A 52 1.446 -5.370 -7.439 1.00 0.00 H new ATOM 0 HB THR A 52 2.972 -7.683 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.990 -7.931 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.124 -9.069 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.007 -8.246 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.423 -7.631 -7.042 1.00 0.00 H new ATOM 812 N GLY A 53 2.762 -6.062 -5.411 1.00 0.00 N ATOM 813 CA GLY A 53 3.573 -6.245 -4.223 1.00 0.00 C ATOM 814 C GLY A 53 2.987 -5.552 -3.012 1.00 0.00 C ATOM 815 O GLY A 53 1.805 -5.213 -2.994 1.00 0.00 O ATOM 0 H GLY A 53 1.762 -5.963 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.673 -7.310 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.576 -5.861 -4.408 1.00 0.00 H new ATOM 819 N TRP A 54 3.817 -5.342 -1.997 1.00 0.00 N ATOM 820 CA TRP A 54 3.377 -4.686 -0.773 1.00 0.00 C ATOM 821 C TRP A 54 3.373 -3.170 -0.931 1.00 0.00 C ATOM 822 O TRP A 54 4.134 -2.615 -1.723 1.00 0.00 O ATOM 823 CB TRP A 54 4.281 -5.087 0.393 1.00 0.00 C ATOM 824 CG TRP A 54 4.299 -6.563 0.646 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.029 -7.501 -0.025 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.550 -7.271 1.639 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.780 -8.749 0.489 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.876 -8.635 1.514 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.637 -6.886 2.624 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.320 -9.613 2.335 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.086 -7.857 3.439 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.430 -9.207 3.290 1.00 0.00 C ATOM 0 H TRP A 54 4.799 -5.617 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 54 2.357 -5.009 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.297 -4.747 0.190 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.948 -4.574 1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.704 -7.292 -0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.199 -9.620 0.162 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.366 -5.848 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.582 -10.654 2.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.379 -7.570 4.203 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.983 -9.942 3.943 1.00 0.00 H new ATOM 843 N PHE A 55 2.509 -2.509 -0.169 1.00 0.00 N ATOM 844 CA PHE A 55 2.402 -1.058 -0.208 1.00 0.00 C ATOM 845 C PHE A 55 1.975 -0.522 1.158 1.00 0.00 C ATOM 846 O PHE A 55 1.188 -1.160 1.858 1.00 0.00 O ATOM 847 CB PHE A 55 1.404 -0.618 -1.283 1.00 0.00 C ATOM 848 CG PHE A 55 -0.015 -1.035 -1.007 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.432 -2.333 -1.250 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.931 -0.124 -0.505 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.736 -2.716 -0.997 1.00 0.00 C ATOM 852 CE2 PHE A 55 -2.235 -0.501 -0.250 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.640 -1.798 -0.497 1.00 0.00 C ATOM 0 H PHE A 55 1.870 -2.959 0.486 1.00 0.00 H new ATOM 0 HA PHE A 55 3.381 -0.648 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.441 0.467 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.713 -1.032 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.270 -3.054 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.622 0.892 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.048 -3.732 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.938 0.219 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.660 -2.094 -0.300 1.00 0.00 H new ATOM 863 N PRO A 56 2.496 0.653 1.562 1.00 0.00 N ATOM 864 CA PRO A 56 2.159 1.261 2.854 1.00 0.00 C ATOM 865 C PRO A 56 0.656 1.326 3.088 1.00 0.00 C ATOM 866 O PRO A 56 -0.131 1.243 2.146 1.00 0.00 O ATOM 867 CB PRO A 56 2.742 2.670 2.745 1.00 0.00 C ATOM 868 CG PRO A 56 3.863 2.543 1.773 1.00 0.00 C ATOM 869 CD PRO A 56 3.449 1.477 0.795 1.00 0.00 C ATOM 0 HA PRO A 56 2.553 0.684 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.994 3.382 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.095 3.028 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.046 3.489 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.789 2.269 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.984 1.906 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.303 0.891 0.456 1.00 0.00 H new ATOM 877 N SER A 57 0.262 1.468 4.350 1.00 0.00 N ATOM 878 CA SER A 57 -1.150 1.547 4.706 1.00 0.00 C ATOM 879 C SER A 57 -1.490 2.922 5.265 1.00 0.00 C ATOM 880 O SER A 57 -2.629 3.380 5.164 1.00 0.00 O ATOM 881 CB SER A 57 -1.503 0.470 5.731 1.00 0.00 C ATOM 882 OG SER A 57 -2.837 0.615 6.184 1.00 0.00 O ATOM 0 H SER A 57 0.901 1.531 5.143 1.00 0.00 H new ATOM 0 HA SER A 57 -1.736 1.383 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.372 -0.517 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.819 0.531 6.578 1.00 0.00 H new ATOM 0 HG SER A 57 -3.335 -0.210 6.006 1.00 0.00 H new ATOM 888 N ASN A 58 -0.496 3.574 5.856 1.00 0.00 N ATOM 889 CA ASN A 58 -0.688 4.900 6.429 1.00 0.00 C ATOM 890 C ASN A 58 -0.552 5.978 5.357 1.00 0.00 C ATOM 891 O ASN A 58 -0.972 7.119 5.554 1.00 0.00 O ATOM 892 CB ASN A 58 0.325 5.144 7.548 1.00 0.00 C ATOM 893 CG ASN A 58 0.069 6.445 8.282 1.00 0.00 C ATOM 894 OD1 ASN A 58 -1.074 6.883 8.412 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.135 7.072 8.765 1.00 0.00 N ATOM 0 H ASN A 58 0.451 3.206 5.951 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.695 4.950 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.287 4.316 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.331 5.158 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.025 7.953 9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.064 6.673 8.634 1.00 0.00 H new ATOM 902 N TYR A 59 0.034 5.607 4.222 1.00 0.00 N ATOM 903 CA TYR A 59 0.222 6.540 3.114 1.00 0.00 C ATOM 904 C TYR A 59 -0.929 6.441 2.119 1.00 0.00 C ATOM 905 O TYR A 59 -1.029 7.240 1.188 1.00 0.00 O ATOM 906 CB TYR A 59 1.552 6.263 2.408 1.00 0.00 C ATOM 907 CG TYR A 59 2.641 7.260 2.738 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.008 7.511 4.056 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.300 7.952 1.732 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.003 8.422 4.358 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.296 8.864 2.026 1.00 0.00 C ATOM 912 CZ TYR A 59 4.643 9.096 3.340 1.00 0.00 C ATOM 913 OH TYR A 59 5.634 10.004 3.636 1.00 0.00 O ATOM 0 H TYR A 59 0.387 4.667 4.045 1.00 0.00 H new ATOM 0 HA TYR A 59 0.239 7.551 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.894 5.264 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.387 6.263 1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.508 6.986 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.030 7.775 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.278 8.605 5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.800 9.392 1.230 1.00 0.00 H new ATOM 0 HH TYR A 59 5.983 10.390 2.805 1.00 0.00 H new ATOM 923 N VAL A 60 -1.794 5.452 2.323 1.00 0.00 N ATOM 924 CA VAL A 60 -2.945 5.245 1.451 1.00 0.00 C ATOM 925 C VAL A 60 -4.242 5.241 2.255 1.00 0.00 C ATOM 926 O VAL A 60 -4.238 4.958 3.454 1.00 0.00 O ATOM 927 CB VAL A 60 -2.824 3.923 0.667 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.683 4.002 -0.336 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.623 2.750 1.616 1.00 0.00 C ATOM 0 H VAL A 60 -1.719 4.780 3.087 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.965 6.072 0.741 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.753 3.763 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.612 3.061 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.871 4.814 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.747 4.188 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.540 1.827 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.711 2.901 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.474 2.680 2.294 1.00 0.00 H new ATOM 939 N ARG A 61 -5.351 5.558 1.593 1.00 0.00 N ATOM 940 CA ARG A 61 -6.651 5.596 2.255 1.00 0.00 C ATOM 941 C ARG A 61 -7.737 4.980 1.381 1.00 0.00 C ATOM 942 O ARG A 61 -7.749 5.167 0.165 1.00 0.00 O ATOM 943 CB ARG A 61 -7.023 7.037 2.608 1.00 0.00 C ATOM 944 CG ARG A 61 -6.171 7.628 3.717 1.00 0.00 C ATOM 945 CD ARG A 61 -6.502 7.007 5.063 1.00 0.00 C ATOM 946 NE ARG A 61 -5.706 7.585 6.141 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.908 7.326 7.428 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.876 6.498 7.798 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.140 7.895 8.346 1.00 0.00 N ATOM 0 H ARG A 61 -5.376 5.792 0.600 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.576 5.008 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.927 7.657 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.070 7.070 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.117 7.469 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.328 8.706 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.561 7.149 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.327 5.932 5.019 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.951 8.224 5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.468 6.058 7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.028 6.301 8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.394 8.531 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.295 7.697 9.335 1.00 0.00 H new ATOM 963 N GLU A 62 -8.647 4.245 2.016 1.00 0.00 N ATOM 964 CA GLU A 62 -9.743 3.592 1.307 1.00 0.00 C ATOM 965 C GLU A 62 -10.516 4.593 0.455 1.00 0.00 C ATOM 966 O GLU A 62 -11.033 5.589 0.964 1.00 0.00 O ATOM 967 CB GLU A 62 -10.691 2.917 2.301 1.00 0.00 C ATOM 968 CG GLU A 62 -11.819 2.140 1.640 1.00 0.00 C ATOM 969 CD GLU A 62 -12.807 1.580 2.645 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.538 0.494 3.201 1.00 0.00 O ATOM 971 OE2 GLU A 62 -13.849 2.227 2.876 1.00 0.00 O ATOM 0 H GLU A 62 -8.646 4.087 3.024 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.315 2.836 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.117 2.240 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.120 3.677 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.345 2.792 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.398 1.322 1.055 1.00 0.00 H new ATOM 978 N VAL A 63 -10.590 4.321 -0.842 1.00 0.00 N ATOM 979 CA VAL A 63 -11.297 5.193 -1.770 1.00 0.00 C ATOM 980 C VAL A 63 -12.679 4.640 -2.106 1.00 0.00 C ATOM 981 O VAL A 63 -12.831 3.455 -2.403 1.00 0.00 O ATOM 982 CB VAL A 63 -10.493 5.387 -3.071 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.138 4.044 -3.690 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.265 6.252 -4.057 1.00 0.00 C ATOM 0 H VAL A 63 -10.167 3.500 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.414 6.158 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.564 5.902 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.571 4.205 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.536 3.467 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.052 3.496 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.680 6.376 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.213 5.771 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.456 7.229 -3.612 1.00 0.00 H new