USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 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 Single : A 14 LYS NZ :NH3+ 170:sc= 0.523 (180deg=0.471) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 20 THR OG1 : rot -16:sc= 0.315 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.136 F(o=-3.1!,f=-0.14) USER MOD Single : A 26 SER OG : rot 60:sc= 0.936 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -53:sc= 1.18 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.196 F(o=-0.9,f=-0.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -112:sc= 2.09 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.867 -4.398 -0.299 1.00 0.00 N ATOM 117 CA LEU A 9 -11.339 -3.145 0.221 1.00 0.00 C ATOM 118 C LEU A 9 -10.472 -2.458 -0.829 1.00 0.00 C ATOM 119 O LEU A 9 -9.404 -2.956 -1.189 1.00 0.00 O ATOM 120 CB LEU A 9 -10.527 -3.399 1.496 1.00 0.00 C ATOM 121 CG LEU A 9 -10.346 -2.187 2.419 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.826 -2.627 3.779 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.403 -1.167 1.798 1.00 0.00 C ATOM 0 HA LEU A 9 -12.176 -2.490 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.012 -4.195 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.541 -3.766 1.210 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.319 -1.715 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.703 -1.755 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.537 -3.316 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.865 -3.126 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.291 -0.317 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.429 -1.627 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.812 -0.825 0.847 1.00 0.00 H new ATOM 135 N VAL A 10 -10.942 -1.316 -1.320 1.00 0.00 N ATOM 136 CA VAL A 10 -10.211 -0.558 -2.326 1.00 0.00 C ATOM 137 C VAL A 10 -9.514 0.637 -1.690 1.00 0.00 C ATOM 138 O VAL A 10 -10.125 1.391 -0.933 1.00 0.00 O ATOM 139 CB VAL A 10 -11.141 -0.060 -3.449 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.334 0.587 -4.564 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.988 -1.204 -3.986 1.00 0.00 C ATOM 0 H VAL A 10 -11.827 -0.896 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.470 -1.230 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.811 0.694 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.008 0.932 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.777 1.435 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.638 -0.142 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.639 -0.834 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.337 -1.982 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.596 -1.616 -3.180 1.00 0.00 H new ATOM 151 N VAL A 11 -8.234 0.806 -2.001 1.00 0.00 N ATOM 152 CA VAL A 11 -7.456 1.903 -1.445 1.00 0.00 C ATOM 153 C VAL A 11 -6.870 2.783 -2.548 1.00 0.00 C ATOM 154 O VAL A 11 -6.657 2.327 -3.671 1.00 0.00 O ATOM 155 CB VAL A 11 -6.321 1.369 -0.547 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.167 0.832 -1.382 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.845 2.446 0.413 1.00 0.00 C ATOM 0 H VAL A 11 -7.715 0.198 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.132 2.509 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.717 0.541 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.382 0.462 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.523 0.018 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.769 1.630 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.044 2.049 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.474 3.300 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.675 2.763 1.045 1.00 0.00 H new ATOM 167 N ARG A 12 -6.617 4.048 -2.219 1.00 0.00 N ATOM 168 CA ARG A 12 -6.055 4.991 -3.180 1.00 0.00 C ATOM 169 C ARG A 12 -4.797 5.650 -2.622 1.00 0.00 C ATOM 170 O ARG A 12 -4.764 6.067 -1.464 1.00 0.00 O ATOM 171 CB ARG A 12 -7.083 6.065 -3.541 1.00 0.00 C ATOM 172 CG ARG A 12 -6.612 7.003 -4.641 1.00 0.00 C ATOM 173 CD ARG A 12 -7.596 8.138 -4.872 1.00 0.00 C ATOM 174 NE ARG A 12 -7.180 8.998 -5.976 1.00 0.00 N ATOM 175 CZ ARG A 12 -7.785 10.137 -6.296 1.00 0.00 C ATOM 176 NH1 ARG A 12 -8.830 10.559 -5.597 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.342 10.857 -7.318 1.00 0.00 N ATOM 0 H ARG A 12 -6.793 4.442 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.790 4.435 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.008 5.582 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.316 6.649 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.638 7.414 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.480 6.442 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.583 7.726 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.686 8.732 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.378 8.707 -6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.173 10.009 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.291 11.434 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.538 10.536 -7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.806 11.731 -7.565 1.00 0.00 H new ATOM 191 N ALA A 13 -3.766 5.741 -3.456 1.00 0.00 N ATOM 192 CA ALA A 13 -2.501 6.345 -3.055 1.00 0.00 C ATOM 193 C ALA A 13 -2.682 7.804 -2.644 1.00 0.00 C ATOM 194 O ALA A 13 -3.373 8.568 -3.318 1.00 0.00 O ATOM 195 CB ALA A 13 -1.489 6.239 -4.185 1.00 0.00 C ATOM 0 H ALA A 13 -3.783 5.402 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.130 5.799 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.548 6.693 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.323 5.189 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.870 6.758 -5.064 1.00 0.00 H new ATOM 201 N LYS A 14 -2.057 8.183 -1.531 1.00 0.00 N ATOM 202 CA LYS A 14 -2.141 9.553 -1.034 1.00 0.00 C ATOM 203 C LYS A 14 -0.946 10.376 -1.505 1.00 0.00 C ATOM 204 O LYS A 14 -1.094 11.301 -2.303 1.00 0.00 O ATOM 205 CB LYS A 14 -2.213 9.572 0.494 1.00 0.00 C ATOM 206 CG LYS A 14 -3.474 8.928 1.054 1.00 0.00 C ATOM 207 CD LYS A 14 -3.653 9.243 2.532 1.00 0.00 C ATOM 208 CE LYS A 14 -2.546 8.631 3.375 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.669 9.011 4.808 1.00 0.00 N ATOM 0 H LYS A 14 -1.488 7.561 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.052 9.997 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.342 9.055 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.159 10.605 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.342 9.282 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.425 7.848 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.664 10.324 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.618 8.866 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.577 7.545 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.578 8.956 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.006 8.445 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.447 10.021 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.641 8.833 5.132 1.00 0.00 H new ATOM 223 N PHE A 15 0.238 10.032 -1.004 1.00 0.00 N ATOM 224 CA PHE A 15 1.460 10.737 -1.379 1.00 0.00 C ATOM 225 C PHE A 15 2.229 9.956 -2.438 1.00 0.00 C ATOM 226 O PHE A 15 1.886 8.815 -2.752 1.00 0.00 O ATOM 227 CB PHE A 15 2.354 10.956 -0.155 1.00 0.00 C ATOM 228 CG PHE A 15 1.658 11.621 0.999 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.098 12.880 0.858 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.571 10.985 2.229 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.461 13.493 1.921 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.935 11.593 3.294 1.00 0.00 C ATOM 233 CZ PHE A 15 0.379 12.848 3.140 1.00 0.00 C ATOM 0 H PHE A 15 0.377 9.271 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 15 1.175 11.706 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.743 9.993 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.211 11.563 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.160 13.388 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.005 10.004 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.028 14.475 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.873 11.087 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.119 13.324 3.971 1.00 0.00 H new ATOM 243 N ASN A 16 3.268 10.576 -2.985 1.00 0.00 N ATOM 244 CA ASN A 16 4.090 9.936 -4.007 1.00 0.00 C ATOM 245 C ASN A 16 5.023 8.903 -3.381 1.00 0.00 C ATOM 246 O ASN A 16 5.487 9.073 -2.254 1.00 0.00 O ATOM 247 CB ASN A 16 4.904 10.985 -4.767 1.00 0.00 C ATOM 248 CG ASN A 16 4.024 11.982 -5.495 1.00 0.00 C ATOM 249 OD1 ASN A 16 3.648 13.016 -4.941 1.00 0.00 O ATOM 250 ND2 ASN A 16 3.689 11.675 -6.742 1.00 0.00 N ATOM 0 H ASN A 16 3.562 11.521 -2.738 1.00 0.00 H new ATOM 0 HA ASN A 16 3.428 9.426 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.550 11.517 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.555 10.486 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.097 12.307 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.023 10.807 -7.161 1.00 0.00 H new ATOM 257 N PHE A 17 5.291 7.829 -4.119 1.00 0.00 N ATOM 258 CA PHE A 17 6.168 6.768 -3.636 1.00 0.00 C ATOM 259 C PHE A 17 7.025 6.219 -4.772 1.00 0.00 C ATOM 260 O PHE A 17 6.573 6.125 -5.913 1.00 0.00 O ATOM 261 CB PHE A 17 5.340 5.642 -3.016 1.00 0.00 C ATOM 262 CG PHE A 17 6.119 4.753 -2.087 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.952 3.762 -2.584 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.014 4.908 -0.714 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.665 2.944 -1.729 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.724 4.092 0.145 1.00 0.00 C ATOM 267 CZ PHE A 17 7.551 3.109 -0.363 1.00 0.00 C ATOM 0 H PHE A 17 4.913 7.671 -5.053 1.00 0.00 H new ATOM 0 HA PHE A 17 6.827 7.187 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.504 6.078 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.916 5.034 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.044 3.628 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.370 5.675 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.311 2.176 -2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.633 4.222 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.107 2.471 0.307 1.00 0.00 H new ATOM 277 N GLN A 18 8.266 5.861 -4.452 1.00 0.00 N ATOM 278 CA GLN A 18 9.188 5.319 -5.445 1.00 0.00 C ATOM 279 C GLN A 18 9.732 3.965 -4.997 1.00 0.00 C ATOM 280 O GLN A 18 10.179 3.810 -3.859 1.00 0.00 O ATOM 281 CB GLN A 18 10.340 6.296 -5.684 1.00 0.00 C ATOM 282 CG GLN A 18 11.395 5.778 -6.648 1.00 0.00 C ATOM 283 CD GLN A 18 12.527 6.766 -6.855 1.00 0.00 C ATOM 284 OE1 GLN A 18 13.525 6.743 -6.135 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.373 7.643 -7.840 1.00 0.00 N ATOM 0 H GLN A 18 8.656 5.937 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 18 8.643 5.178 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.936 7.232 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.814 6.524 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.800 4.840 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.929 5.558 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.528 7.625 -8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.099 8.335 -8.025 1.00 0.00 H new ATOM 294 N GLN A 19 9.690 2.989 -5.898 1.00 0.00 N ATOM 295 CA GLN A 19 10.176 1.646 -5.598 1.00 0.00 C ATOM 296 C GLN A 19 11.623 1.473 -6.048 1.00 0.00 C ATOM 297 O GLN A 19 12.184 2.339 -6.720 1.00 0.00 O ATOM 298 CB GLN A 19 9.292 0.598 -6.278 1.00 0.00 C ATOM 299 CG GLN A 19 9.282 0.700 -7.797 1.00 0.00 C ATOM 300 CD GLN A 19 8.296 -0.254 -8.445 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.078 -1.404 -7.817 1.00 0.00 O flip ATOM 302 NE2 GLN A 19 7.737 0.040 -9.502 1.00 0.00 N flip ATOM 0 H GLN A 19 9.324 3.103 -6.843 1.00 0.00 H new ATOM 0 HA GLN A 19 10.132 1.507 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.636 -0.396 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.272 0.701 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.035 1.722 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.283 0.494 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.933 0.934 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.077 -0.611 -9.928 1.00 0.00 H new ATOM 311 N THR A 20 12.221 0.347 -5.670 1.00 0.00 N ATOM 312 CA THR A 20 13.601 0.051 -6.036 1.00 0.00 C ATOM 313 C THR A 20 13.706 -1.302 -6.732 1.00 0.00 C ATOM 314 O THR A 20 14.742 -1.637 -7.307 1.00 0.00 O ATOM 315 CB THR A 20 14.523 0.054 -4.801 1.00 0.00 C ATOM 316 OG1 THR A 20 15.859 -0.295 -5.184 1.00 0.00 O ATOM 317 CG2 THR A 20 14.021 -0.924 -3.748 1.00 0.00 C ATOM 0 H THR A 20 11.770 -0.376 -5.109 1.00 0.00 H new ATOM 0 HA THR A 20 13.922 0.835 -6.721 1.00 0.00 H new ATOM 0 HB THR A 20 14.518 1.057 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.848 -0.700 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.688 -0.904 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.016 -0.639 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.999 -1.930 -4.167 1.00 0.00 H new ATOM 325 N ASN A 21 12.623 -2.075 -6.680 1.00 0.00 N ATOM 326 CA ASN A 21 12.594 -3.393 -7.306 1.00 0.00 C ATOM 327 C ASN A 21 11.171 -3.774 -7.709 1.00 0.00 C ATOM 328 O ASN A 21 10.199 -3.209 -7.204 1.00 0.00 O ATOM 329 CB ASN A 21 13.162 -4.446 -6.352 1.00 0.00 C ATOM 330 CG ASN A 21 13.397 -5.785 -7.028 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.762 -5.750 -8.305 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 13.258 -6.839 -6.407 1.00 0.00 N flip ATOM 0 H ASN A 21 11.756 -1.811 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 21 13.210 -3.354 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.102 -4.084 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.475 -4.581 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.976 -6.820 -5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.425 -7.731 -6.873 1.00 0.00 H new ATOM 339 N GLU A 22 11.058 -4.734 -8.622 1.00 0.00 N ATOM 340 CA GLU A 22 9.757 -5.196 -9.097 1.00 0.00 C ATOM 341 C GLU A 22 8.974 -5.855 -7.963 1.00 0.00 C ATOM 342 O GLU A 22 7.750 -5.754 -7.902 1.00 0.00 O ATOM 343 CB GLU A 22 9.944 -6.183 -10.254 1.00 0.00 C ATOM 344 CG GLU A 22 8.724 -6.320 -11.155 1.00 0.00 C ATOM 345 CD GLU A 22 7.558 -7.006 -10.471 1.00 0.00 C ATOM 346 OE1 GLU A 22 7.657 -8.224 -10.211 1.00 0.00 O ATOM 347 OE2 GLU A 22 6.546 -6.327 -10.197 1.00 0.00 O ATOM 0 H GLU A 22 11.854 -5.208 -9.049 1.00 0.00 H new ATOM 0 HA GLU A 22 9.190 -4.335 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.794 -5.863 -10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.193 -7.162 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.412 -5.330 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.999 -6.884 -12.046 1.00 0.00 H new ATOM 354 N ASP A 23 9.694 -6.525 -7.065 1.00 0.00 N ATOM 355 CA ASP A 23 9.067 -7.202 -5.932 1.00 0.00 C ATOM 356 C ASP A 23 8.237 -6.226 -5.102 1.00 0.00 C ATOM 357 O ASP A 23 7.352 -6.632 -4.351 1.00 0.00 O ATOM 358 CB ASP A 23 10.128 -7.861 -5.050 1.00 0.00 C ATOM 359 CG ASP A 23 9.520 -8.684 -3.931 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.156 -9.852 -4.185 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.408 -8.162 -2.802 1.00 0.00 O ATOM 0 H ASP A 23 10.710 -6.613 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 23 8.404 -7.971 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.761 -8.501 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.771 -7.091 -4.623 1.00 0.00 H new ATOM 366 N GLU A 24 8.533 -4.938 -5.246 1.00 0.00 N ATOM 367 CA GLU A 24 7.813 -3.902 -4.515 1.00 0.00 C ATOM 368 C GLU A 24 6.695 -3.329 -5.382 1.00 0.00 C ATOM 369 O GLU A 24 6.369 -3.888 -6.429 1.00 0.00 O ATOM 370 CB GLU A 24 8.775 -2.790 -4.086 1.00 0.00 C ATOM 371 CG GLU A 24 8.359 -2.077 -2.808 1.00 0.00 C ATOM 372 CD GLU A 24 9.330 -0.983 -2.408 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.294 -1.285 -1.675 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.126 0.175 -2.829 1.00 0.00 O ATOM 0 H GLU A 24 9.266 -4.587 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 24 7.372 -4.344 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.769 -3.216 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.852 -2.059 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.367 -1.646 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.283 -2.804 -1.999 1.00 0.00 H new ATOM 381 N LEU A 25 6.108 -2.218 -4.948 1.00 0.00 N ATOM 382 CA LEU A 25 5.029 -1.592 -5.698 1.00 0.00 C ATOM 383 C LEU A 25 5.025 -0.080 -5.498 1.00 0.00 C ATOM 384 O LEU A 25 4.805 0.410 -4.390 1.00 0.00 O ATOM 385 CB LEU A 25 3.682 -2.187 -5.276 1.00 0.00 C ATOM 386 CG LEU A 25 2.501 -1.857 -6.193 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.434 -2.937 -6.094 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.912 -0.499 -5.844 1.00 0.00 C ATOM 0 H LEU A 25 6.361 -1.736 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 25 5.191 -1.791 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.785 -3.271 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.448 -1.836 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 25 2.866 -1.820 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.601 -2.687 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.858 -3.896 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.077 -3.003 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.074 -0.284 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.564 -0.508 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.675 0.270 -5.963 1.00 0.00 H new ATOM 400 N SER A 26 5.273 0.652 -6.580 1.00 0.00 N ATOM 401 CA SER A 26 5.289 2.109 -6.535 1.00 0.00 C ATOM 402 C SER A 26 3.921 2.667 -6.909 1.00 0.00 C ATOM 403 O SER A 26 3.106 1.974 -7.519 1.00 0.00 O ATOM 404 CB SER A 26 6.356 2.659 -7.482 1.00 0.00 C ATOM 405 OG SER A 26 6.325 4.074 -7.523 1.00 0.00 O ATOM 0 H SER A 26 5.466 0.258 -7.501 1.00 0.00 H new ATOM 0 HA SER A 26 5.528 2.420 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.341 2.324 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.197 2.260 -8.484 1.00 0.00 H new ATOM 0 HG SER A 26 6.491 4.431 -6.626 1.00 0.00 H new ATOM 411 N PHE A 27 3.671 3.921 -6.545 1.00 0.00 N ATOM 412 CA PHE A 27 2.393 4.554 -6.846 1.00 0.00 C ATOM 413 C PHE A 27 2.467 6.070 -6.696 1.00 0.00 C ATOM 414 O PHE A 27 3.362 6.600 -6.036 1.00 0.00 O ATOM 415 CB PHE A 27 1.299 3.993 -5.935 1.00 0.00 C ATOM 416 CG PHE A 27 1.667 3.996 -4.476 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.701 5.180 -3.755 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.975 2.812 -3.825 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.034 5.182 -2.414 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.307 2.808 -2.484 1.00 0.00 C ATOM 421 CZ PHE A 27 2.337 3.995 -1.777 1.00 0.00 C ATOM 0 H PHE A 27 4.332 4.515 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 27 2.150 4.331 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.389 4.577 -6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.072 2.972 -6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.464 6.112 -4.247 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.955 1.881 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.057 6.111 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.543 1.878 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.597 3.994 -0.729 1.00 0.00 H new ATOM 431 N SER A 28 1.515 6.758 -7.316 1.00 0.00 N ATOM 432 CA SER A 28 1.447 8.213 -7.255 1.00 0.00 C ATOM 433 C SER A 28 0.034 8.660 -6.907 1.00 0.00 C ATOM 434 O SER A 28 -0.928 7.931 -7.148 1.00 0.00 O ATOM 435 CB SER A 28 1.874 8.824 -8.591 1.00 0.00 C ATOM 436 OG SER A 28 3.194 8.435 -8.932 1.00 0.00 O ATOM 0 H SER A 28 0.775 6.328 -7.870 1.00 0.00 H new ATOM 0 HA SER A 28 2.129 8.558 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.185 8.509 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.816 9.911 -8.532 1.00 0.00 H new ATOM 0 HG SER A 28 3.442 8.837 -9.791 1.00 0.00 H new ATOM 442 N LYS A 29 -0.086 9.852 -6.328 1.00 0.00 N ATOM 443 CA LYS A 29 -1.388 10.397 -5.949 1.00 0.00 C ATOM 444 C LYS A 29 -2.405 10.229 -7.076 1.00 0.00 C ATOM 445 O LYS A 29 -2.423 11.010 -8.029 1.00 0.00 O ATOM 446 CB LYS A 29 -1.257 11.877 -5.579 1.00 0.00 C ATOM 447 CG LYS A 29 -2.567 12.512 -5.141 1.00 0.00 C ATOM 448 CD LYS A 29 -2.380 13.973 -4.764 1.00 0.00 C ATOM 449 CE LYS A 29 -3.690 14.610 -4.326 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.517 16.044 -3.966 1.00 0.00 N ATOM 0 H LYS A 29 0.703 10.460 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.745 9.842 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.527 11.979 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.866 12.424 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.298 12.434 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.971 11.964 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.650 14.051 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.975 14.520 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.422 14.523 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.090 14.066 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.432 16.441 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.838 16.126 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.160 16.568 -4.790 1.00 0.00 H new ATOM 464 N GLY A 30 -3.245 9.203 -6.965 1.00 0.00 N ATOM 465 CA GLY A 30 -4.251 8.957 -7.982 1.00 0.00 C ATOM 466 C GLY A 30 -4.388 7.487 -8.336 1.00 0.00 C ATOM 467 O GLY A 30 -5.496 7.001 -8.566 1.00 0.00 O ATOM 0 H GLY A 30 -3.246 8.539 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.213 9.332 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.997 9.519 -8.880 1.00 0.00 H new ATOM 471 N ASP A 31 -3.262 6.778 -8.381 1.00 0.00 N ATOM 472 CA ASP A 31 -3.264 5.356 -8.715 1.00 0.00 C ATOM 473 C ASP A 31 -4.143 4.567 -7.751 1.00 0.00 C ATOM 474 O ASP A 31 -3.972 4.644 -6.533 1.00 0.00 O ATOM 475 CB ASP A 31 -1.839 4.799 -8.697 1.00 0.00 C ATOM 476 CG ASP A 31 -0.953 5.440 -9.745 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.427 6.543 -9.484 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.783 4.840 -10.827 1.00 0.00 O ATOM 0 H ASP A 31 -2.338 7.165 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.674 5.250 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.403 4.957 -7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.871 3.722 -8.862 1.00 0.00 H new ATOM 483 N VAL A 32 -5.082 3.808 -8.307 1.00 0.00 N ATOM 484 CA VAL A 32 -5.991 3.001 -7.504 1.00 0.00 C ATOM 485 C VAL A 32 -5.431 1.600 -7.290 1.00 0.00 C ATOM 486 O VAL A 32 -5.268 0.835 -8.239 1.00 0.00 O ATOM 487 CB VAL A 32 -7.382 2.898 -8.160 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.301 2.004 -7.339 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.992 4.280 -8.336 1.00 0.00 C ATOM 0 H VAL A 32 -5.233 3.736 -9.313 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.094 3.499 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.263 2.447 -9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.277 1.946 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.870 1.005 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.414 2.420 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.974 4.188 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.095 4.759 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.345 4.885 -8.971 1.00 0.00 H new ATOM 499 N ILE A 33 -5.147 1.269 -6.036 1.00 0.00 N ATOM 500 CA ILE A 33 -4.597 -0.037 -5.695 1.00 0.00 C ATOM 501 C ILE A 33 -5.648 -0.925 -5.039 1.00 0.00 C ATOM 502 O ILE A 33 -6.324 -0.514 -4.095 1.00 0.00 O ATOM 503 CB ILE A 33 -3.390 0.100 -4.746 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.306 0.967 -5.392 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.836 -1.270 -4.384 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.183 1.339 -4.446 1.00 0.00 C ATOM 0 H ILE A 33 -5.289 1.888 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.271 -0.499 -6.627 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.722 0.586 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.888 0.435 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.763 1.879 -5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.985 -1.153 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.610 -1.856 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.516 -1.784 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.452 1.953 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.588 1.899 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.700 0.433 -4.081 1.00 0.00 H new ATOM 518 N HIS A 34 -5.777 -2.147 -5.545 1.00 0.00 N ATOM 519 CA HIS A 34 -6.736 -3.101 -5.004 1.00 0.00 C ATOM 520 C HIS A 34 -6.084 -3.955 -3.923 1.00 0.00 C ATOM 521 O HIS A 34 -5.132 -4.689 -4.188 1.00 0.00 O ATOM 522 CB HIS A 34 -7.286 -3.993 -6.119 1.00 0.00 C ATOM 523 CG HIS A 34 -8.059 -3.243 -7.160 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.488 -2.752 -8.315 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.370 -2.905 -7.218 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.413 -2.144 -9.037 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.563 -2.224 -8.394 1.00 0.00 N ATOM 0 H HIS A 34 -5.229 -2.499 -6.330 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.562 -2.546 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.457 -4.514 -6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.929 -4.755 -5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.123 -3.130 -6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.255 -1.663 -9.991 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.451 -1.842 -8.718 1.00 0.00 H new ATOM 536 N VAL A 35 -6.602 -3.852 -2.705 1.00 0.00 N ATOM 537 CA VAL A 35 -6.065 -4.605 -1.578 1.00 0.00 C ATOM 538 C VAL A 35 -6.440 -6.080 -1.666 1.00 0.00 C ATOM 539 O VAL A 35 -7.613 -6.428 -1.796 1.00 0.00 O ATOM 540 CB VAL A 35 -6.570 -4.040 -0.236 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.873 -4.720 0.933 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.371 -2.533 -0.182 1.00 0.00 C ATOM 0 H VAL A 35 -7.394 -3.253 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.980 -4.508 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.637 -4.246 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.245 -4.305 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.075 -5.791 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.798 -4.552 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.733 -2.152 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.311 -2.302 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.926 -2.063 -0.994 1.00 0.00 H new ATOM 552 N THR A 36 -5.433 -6.943 -1.595 1.00 0.00 N ATOM 553 CA THR A 36 -5.651 -8.382 -1.657 1.00 0.00 C ATOM 554 C THR A 36 -5.372 -9.016 -0.302 1.00 0.00 C ATOM 555 O THR A 36 -5.736 -10.164 -0.049 1.00 0.00 O ATOM 556 CB THR A 36 -4.754 -9.045 -2.718 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.376 -8.909 -2.349 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.979 -8.419 -4.086 1.00 0.00 C ATOM 0 H THR A 36 -4.456 -6.670 -1.494 1.00 0.00 H new ATOM 0 HA THR A 36 -6.693 -8.542 -1.934 1.00 0.00 H new ATOM 0 HB THR A 36 -5.015 -10.102 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.176 -7.966 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.334 -8.904 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.021 -8.548 -4.378 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.743 -7.356 -4.043 1.00 0.00 H new ATOM 566 N ARG A 37 -4.720 -8.250 0.567 1.00 0.00 N ATOM 567 CA ARG A 37 -4.384 -8.712 1.905 1.00 0.00 C ATOM 568 C ARG A 37 -4.274 -7.530 2.863 1.00 0.00 C ATOM 569 O ARG A 37 -3.278 -6.806 2.858 1.00 0.00 O ATOM 570 CB ARG A 37 -3.069 -9.492 1.883 1.00 0.00 C ATOM 571 CG ARG A 37 -2.674 -10.057 3.237 1.00 0.00 C ATOM 572 CD ARG A 37 -1.330 -10.763 3.175 1.00 0.00 C ATOM 573 NE ARG A 37 -1.342 -11.879 2.234 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.249 -12.535 1.856 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.937 -12.189 2.339 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.342 -13.539 0.995 1.00 0.00 N ATOM 0 H ARG A 37 -4.413 -7.299 0.364 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.179 -9.372 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.154 -10.310 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.274 -8.837 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.629 -9.251 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.438 -10.756 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.559 -10.050 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.066 -11.128 4.167 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.238 -12.172 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.012 -11.418 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.774 -12.694 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.252 -13.808 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.497 -14.042 0.705 1.00 0.00 H new ATOM 590 N VAL A 38 -5.303 -7.338 3.681 1.00 0.00 N ATOM 591 CA VAL A 38 -5.320 -6.241 4.640 1.00 0.00 C ATOM 592 C VAL A 38 -5.101 -6.750 6.062 1.00 0.00 C ATOM 593 O VAL A 38 -5.954 -7.431 6.630 1.00 0.00 O ATOM 594 CB VAL A 38 -6.646 -5.450 4.566 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.840 -6.390 4.585 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.740 -4.440 5.701 1.00 0.00 C ATOM 0 H VAL A 38 -6.135 -7.927 3.699 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.501 -5.571 4.377 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.658 -4.904 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.761 -5.809 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.786 -7.064 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.830 -6.972 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.682 -3.896 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.696 -4.962 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.909 -3.738 5.633 1.00 0.00 H new ATOM 650 N TRP A 43 1.908 -3.734 6.676 1.00 0.00 N ATOM 651 CA TRP A 43 2.078 -3.673 5.230 1.00 0.00 C ATOM 652 C TRP A 43 0.982 -4.452 4.513 1.00 0.00 C ATOM 653 O TRP A 43 0.657 -5.577 4.890 1.00 0.00 O ATOM 654 CB TRP A 43 3.444 -4.230 4.833 1.00 0.00 C ATOM 655 CG TRP A 43 4.536 -3.206 4.856 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.317 -2.861 5.921 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.971 -2.400 3.759 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.212 -1.887 5.552 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.020 -1.587 4.229 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.574 -2.285 2.423 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.679 -0.675 3.410 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.231 -1.379 1.612 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.273 -0.585 2.107 1.00 0.00 C ATOM 0 HA TRP A 43 2.012 -2.627 4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.706 -5.044 5.509 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.377 -4.656 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.242 -3.291 6.909 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.906 -1.457 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.770 -2.892 2.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.482 -0.061 3.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.935 -1.282 0.578 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.766 0.113 1.446 1.00 0.00 H new ATOM 674 N TRP A 44 0.416 -3.843 3.476 1.00 0.00 N ATOM 675 CA TRP A 44 -0.638 -4.479 2.694 1.00 0.00 C ATOM 676 C TRP A 44 -0.165 -4.732 1.267 1.00 0.00 C ATOM 677 O TRP A 44 0.471 -3.876 0.656 1.00 0.00 O ATOM 678 CB TRP A 44 -1.896 -3.604 2.672 1.00 0.00 C ATOM 679 CG TRP A 44 -2.469 -3.313 4.030 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.155 -3.926 5.209 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.467 -2.334 4.341 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.892 -3.384 6.235 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.705 -2.404 5.727 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.180 -1.402 3.581 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.624 -1.578 6.367 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.094 -0.584 4.218 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.309 -0.676 5.599 1.00 0.00 C ATOM 0 H TRP A 44 0.670 -2.908 3.157 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.879 -5.433 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.660 -2.660 2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.657 -4.097 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.433 -4.721 5.319 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.842 -3.665 7.214 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.020 -1.323 2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.791 -1.646 7.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.652 0.139 3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.030 -0.022 6.067 1.00 0.00 H new ATOM 698 N GLU A 45 -0.475 -5.911 0.742 1.00 0.00 N ATOM 699 CA GLU A 45 -0.085 -6.267 -0.619 1.00 0.00 C ATOM 700 C GLU A 45 -1.286 -6.194 -1.558 1.00 0.00 C ATOM 701 O GLU A 45 -2.371 -6.676 -1.230 1.00 0.00 O ATOM 702 CB GLU A 45 0.520 -7.674 -0.650 1.00 0.00 C ATOM 703 CG GLU A 45 0.951 -8.124 -2.039 1.00 0.00 C ATOM 704 CD GLU A 45 1.674 -9.457 -2.020 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.993 -10.501 -1.950 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.922 -9.456 -2.075 1.00 0.00 O ATOM 0 H GLU A 45 -0.994 -6.637 1.236 1.00 0.00 H new ATOM 0 HA GLU A 45 0.666 -5.553 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.382 -7.704 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.210 -8.383 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.074 -8.199 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.602 -7.367 -2.477 1.00 0.00 H new ATOM 713 N GLY A 46 -1.085 -5.587 -2.723 1.00 0.00 N ATOM 714 CA GLY A 46 -2.163 -5.460 -3.687 1.00 0.00 C ATOM 715 C GLY A 46 -1.683 -5.592 -5.118 1.00 0.00 C ATOM 716 O GLY A 46 -0.606 -6.132 -5.371 1.00 0.00 O ATOM 0 H GLY A 46 -0.196 -5.181 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.915 -6.223 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.649 -4.493 -3.558 1.00 0.00 H new ATOM 720 N THR A 47 -2.485 -5.097 -6.055 1.00 0.00 N ATOM 721 CA THR A 47 -2.140 -5.161 -7.470 1.00 0.00 C ATOM 722 C THR A 47 -2.362 -3.815 -8.152 1.00 0.00 C ATOM 723 O THR A 47 -3.283 -3.075 -7.805 1.00 0.00 O ATOM 724 CB THR A 47 -2.968 -6.237 -8.199 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.786 -7.510 -7.567 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.565 -6.333 -9.663 1.00 0.00 C ATOM 0 H THR A 47 -3.379 -4.647 -5.859 1.00 0.00 H new ATOM 0 HA THR A 47 -1.084 -5.423 -7.528 1.00 0.00 H new ATOM 0 HB THR A 47 -4.018 -5.951 -8.145 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.317 -8.187 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.164 -7.099 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.733 -5.372 -10.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.510 -6.596 -9.733 1.00 0.00 H new ATOM 734 N LEU A 48 -1.512 -3.506 -9.127 1.00 0.00 N ATOM 735 CA LEU A 48 -1.616 -2.254 -9.866 1.00 0.00 C ATOM 736 C LEU A 48 -1.129 -2.434 -11.301 1.00 0.00 C ATOM 737 O LEU A 48 -0.447 -3.409 -11.616 1.00 0.00 O ATOM 738 CB LEU A 48 -0.815 -1.146 -9.172 1.00 0.00 C ATOM 739 CG LEU A 48 -1.058 0.267 -9.712 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.520 0.657 -9.562 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.165 1.272 -9.002 1.00 0.00 C ATOM 0 H LEU A 48 -0.743 -4.107 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.666 -1.962 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.054 -1.158 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.247 -1.375 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.809 0.273 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.670 1.664 -9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.142 -0.044 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.797 0.631 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.352 2.270 -9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.382 1.260 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.880 1.008 -9.163 1.00 0.00 H new ATOM 753 N ASN A 49 -1.493 -1.492 -12.164 1.00 0.00 N ATOM 754 CA ASN A 49 -1.106 -1.542 -13.571 1.00 0.00 C ATOM 755 C ASN A 49 0.407 -1.671 -13.731 1.00 0.00 C ATOM 756 O ASN A 49 1.155 -0.737 -13.441 1.00 0.00 O ATOM 757 CB ASN A 49 -1.599 -0.289 -14.296 1.00 0.00 C ATOM 758 CG ASN A 49 -3.053 0.024 -13.997 1.00 0.00 C ATOM 759 OD1 ASN A 49 -3.839 -1.010 -13.712 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -3.466 1.182 -14.021 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.058 -0.681 -11.913 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.569 -2.425 -14.012 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.981 0.561 -14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.473 -0.422 -15.370 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.829 1.946 -14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.446 1.378 -13.817 1.00 0.00 H new ATOM 767 N GLY A 50 0.848 -2.838 -14.195 1.00 0.00 N ATOM 768 CA GLY A 50 2.267 -3.077 -14.400 1.00 0.00 C ATOM 769 C GLY A 50 3.076 -2.998 -13.119 1.00 0.00 C ATOM 770 O GLY A 50 4.306 -3.027 -13.153 1.00 0.00 O ATOM 0 H GLY A 50 0.245 -3.625 -14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.402 -4.062 -14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.653 -2.347 -15.112 1.00 0.00 H new ATOM 774 N ARG A 51 2.387 -2.897 -11.987 1.00 0.00 N ATOM 775 CA ARG A 51 3.052 -2.813 -10.692 1.00 0.00 C ATOM 776 C ARG A 51 2.416 -3.772 -9.691 1.00 0.00 C ATOM 777 O ARG A 51 1.245 -3.628 -9.338 1.00 0.00 O ATOM 778 CB ARG A 51 2.993 -1.381 -10.158 1.00 0.00 C ATOM 779 CG ARG A 51 3.704 -0.374 -11.046 1.00 0.00 C ATOM 780 CD ARG A 51 3.523 1.048 -10.539 1.00 0.00 C ATOM 781 NE ARG A 51 4.142 2.026 -11.429 1.00 0.00 N ATOM 782 CZ ARG A 51 3.854 3.324 -11.414 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.955 3.797 -10.563 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.466 4.150 -12.253 1.00 0.00 N ATOM 0 H ARG A 51 1.368 -2.871 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 51 4.095 -3.099 -10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.950 -1.085 -10.049 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.437 -1.354 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.767 -0.613 -11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.319 -0.450 -12.063 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.459 1.267 -10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.958 1.137 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 51 4.835 1.695 -12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.482 3.165 -9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.736 4.793 -10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.158 3.789 -12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.245 5.146 -12.241 1.00 0.00 H new ATOM 798 N THR A 52 3.196 -4.747 -9.237 1.00 0.00 N ATOM 799 CA THR A 52 2.710 -5.730 -8.277 1.00 0.00 C ATOM 800 C THR A 52 3.665 -5.856 -7.098 1.00 0.00 C ATOM 801 O THR A 52 4.873 -6.011 -7.278 1.00 0.00 O ATOM 802 CB THR A 52 2.531 -7.115 -8.926 1.00 0.00 C ATOM 803 OG1 THR A 52 1.681 -7.013 -10.076 1.00 0.00 O ATOM 804 CG2 THR A 52 1.934 -8.105 -7.937 1.00 0.00 C ATOM 0 H THR A 52 4.168 -4.877 -9.519 1.00 0.00 H new ATOM 0 HA THR A 52 1.740 -5.377 -7.926 1.00 0.00 H new ATOM 0 HB THR A 52 3.513 -7.476 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.574 -7.898 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.817 -9.076 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.596 -8.204 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.960 -7.745 -7.605 1.00 0.00 H new ATOM 812 N GLY A 53 3.115 -5.789 -5.891 1.00 0.00 N ATOM 813 CA GLY A 53 3.930 -5.894 -4.697 1.00 0.00 C ATOM 814 C GLY A 53 3.257 -5.284 -3.485 1.00 0.00 C ATOM 815 O GLY A 53 2.063 -4.980 -3.516 1.00 0.00 O ATOM 0 H GLY A 53 2.118 -5.664 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.147 -6.944 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.885 -5.398 -4.867 1.00 0.00 H new ATOM 819 N TRP A 54 4.022 -5.107 -2.415 1.00 0.00 N ATOM 820 CA TRP A 54 3.494 -4.530 -1.184 1.00 0.00 C ATOM 821 C TRP A 54 3.432 -3.007 -1.273 1.00 0.00 C ATOM 822 O TRP A 54 4.106 -2.394 -2.102 1.00 0.00 O ATOM 823 CB TRP A 54 4.360 -4.944 0.007 1.00 0.00 C ATOM 824 CG TRP A 54 4.378 -6.423 0.245 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.096 -7.356 -0.444 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.644 -7.137 1.246 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.853 -8.608 0.067 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.965 -8.500 1.105 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.748 -6.755 2.247 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.419 -9.482 1.930 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.206 -7.730 3.064 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.544 -9.080 2.902 1.00 0.00 C ATOM 0 H TRP A 54 5.011 -5.355 -2.374 1.00 0.00 H new ATOM 0 HA TRP A 54 2.481 -4.908 -1.043 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.380 -4.598 -0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.994 -4.444 0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.758 -7.142 -1.270 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.266 -9.477 -0.271 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.483 -5.717 2.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.677 -10.523 1.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.511 -7.446 3.840 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.105 -9.818 3.557 1.00 0.00 H new ATOM 843 N PHE A 55 2.618 -2.405 -0.410 1.00 0.00 N ATOM 844 CA PHE A 55 2.471 -0.955 -0.375 1.00 0.00 C ATOM 845 C PHE A 55 2.121 -0.489 1.038 1.00 0.00 C ATOM 846 O PHE A 55 1.355 -1.149 1.740 1.00 0.00 O ATOM 847 CB PHE A 55 1.401 -0.489 -1.370 1.00 0.00 C ATOM 848 CG PHE A 55 0.026 -1.033 -1.098 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.381 -2.234 -1.657 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.863 -0.340 -0.290 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.647 -2.733 -1.415 1.00 0.00 C ATOM 852 CE2 PHE A 55 -2.130 -0.836 -0.044 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.522 -2.034 -0.608 1.00 0.00 C ATOM 0 H PHE A 55 2.049 -2.902 0.276 1.00 0.00 H new ATOM 0 HA PHE A 55 3.423 -0.510 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.358 0.600 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.703 -0.783 -2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.299 -2.786 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.562 0.598 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.952 -3.670 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.812 -0.287 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.511 -2.423 -0.418 1.00 0.00 H new ATOM 863 N PRO A 56 2.684 0.654 1.477 1.00 0.00 N ATOM 864 CA PRO A 56 2.429 1.195 2.819 1.00 0.00 C ATOM 865 C PRO A 56 0.942 1.350 3.108 1.00 0.00 C ATOM 866 O PRO A 56 0.141 1.531 2.193 1.00 0.00 O ATOM 867 CB PRO A 56 3.109 2.565 2.789 1.00 0.00 C ATOM 868 CG PRO A 56 4.162 2.441 1.743 1.00 0.00 C ATOM 869 CD PRO A 56 3.601 1.512 0.705 1.00 0.00 C ATOM 0 HA PRO A 56 2.806 0.534 3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.399 3.355 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.541 2.814 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.400 3.413 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.086 2.045 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.077 2.056 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.385 0.930 0.221 1.00 0.00 H new ATOM 877 N SER A 57 0.579 1.272 4.385 1.00 0.00 N ATOM 878 CA SER A 57 -0.814 1.412 4.795 1.00 0.00 C ATOM 879 C SER A 57 -1.091 2.820 5.311 1.00 0.00 C ATOM 880 O SER A 57 -2.237 3.269 5.336 1.00 0.00 O ATOM 881 CB SER A 57 -1.156 0.387 5.878 1.00 0.00 C ATOM 882 OG SER A 57 -0.929 -0.935 5.422 1.00 0.00 O ATOM 0 H SER A 57 1.230 1.113 5.153 1.00 0.00 H new ATOM 0 HA SER A 57 -1.441 1.232 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.553 0.577 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.200 0.499 6.172 1.00 0.00 H new ATOM 0 HG SER A 57 -1.785 -1.404 5.340 1.00 0.00 H new ATOM 888 N ASN A 58 -0.033 3.514 5.723 1.00 0.00 N ATOM 889 CA ASN A 58 -0.162 4.872 6.242 1.00 0.00 C ATOM 890 C ASN A 58 -0.113 5.901 5.116 1.00 0.00 C ATOM 891 O ASN A 58 -0.594 7.022 5.272 1.00 0.00 O ATOM 892 CB ASN A 58 0.942 5.156 7.259 1.00 0.00 C ATOM 893 CG ASN A 58 0.842 4.269 8.484 1.00 0.00 C ATOM 894 OD1 ASN A 58 1.436 3.192 8.534 1.00 0.00 O ATOM 895 ND2 ASN A 58 0.085 4.718 9.479 1.00 0.00 N ATOM 0 H ASN A 58 0.923 3.158 5.707 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.131 4.953 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.913 5.010 6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.890 6.201 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.022 4.164 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.389 5.617 9.394 1.00 0.00 H new ATOM 902 N TYR A 59 0.473 5.516 3.988 1.00 0.00 N ATOM 903 CA TYR A 59 0.576 6.411 2.840 1.00 0.00 C ATOM 904 C TYR A 59 -0.602 6.219 1.895 1.00 0.00 C ATOM 905 O TYR A 59 -0.666 6.830 0.828 1.00 0.00 O ATOM 906 CB TYR A 59 1.893 6.179 2.097 1.00 0.00 C ATOM 907 CG TYR A 59 2.978 7.165 2.470 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.324 7.379 3.799 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.654 7.884 1.493 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.312 8.282 4.143 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.644 8.788 1.828 1.00 0.00 C ATOM 912 CZ TYR A 59 4.969 8.984 3.154 1.00 0.00 C ATOM 913 OH TYR A 59 5.954 9.884 3.491 1.00 0.00 O ATOM 0 H TYR A 59 0.883 4.593 3.843 1.00 0.00 H new ATOM 0 HA TYR A 59 0.557 7.437 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.245 5.168 2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.711 6.240 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.812 6.830 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.402 7.734 0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.568 8.437 5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.161 9.338 1.055 1.00 0.00 H new ATOM 0 HH TYR A 59 6.317 10.292 2.677 1.00 0.00 H new ATOM 923 N VAL A 60 -1.535 5.364 2.297 1.00 0.00 N ATOM 924 CA VAL A 60 -2.720 5.091 1.498 1.00 0.00 C ATOM 925 C VAL A 60 -3.983 5.216 2.347 1.00 0.00 C ATOM 926 O VAL A 60 -3.939 5.027 3.564 1.00 0.00 O ATOM 927 CB VAL A 60 -2.660 3.688 0.864 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.497 3.593 -0.112 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.551 2.616 1.939 1.00 0.00 C ATOM 0 H VAL A 60 -1.492 4.847 3.175 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.750 5.831 0.698 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.585 3.521 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.470 2.595 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.624 4.333 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.562 3.783 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.510 1.633 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.645 2.777 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.420 2.669 2.595 1.00 0.00 H new ATOM 939 N ARG A 61 -5.104 5.533 1.706 1.00 0.00 N ATOM 940 CA ARG A 61 -6.371 5.685 2.416 1.00 0.00 C ATOM 941 C ARG A 61 -7.496 4.948 1.699 1.00 0.00 C ATOM 942 O ARG A 61 -7.610 5.003 0.475 1.00 0.00 O ATOM 943 CB ARG A 61 -6.725 7.166 2.558 1.00 0.00 C ATOM 944 CG ARG A 61 -6.870 7.892 1.231 1.00 0.00 C ATOM 945 CD ARG A 61 -7.194 9.362 1.437 1.00 0.00 C ATOM 946 NE ARG A 61 -7.417 10.057 0.172 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.725 11.347 0.086 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.839 12.082 1.185 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.919 11.906 -1.101 1.00 0.00 N ATOM 0 H ARG A 61 -5.162 5.689 0.700 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.254 5.248 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.658 7.255 3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.953 7.659 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.946 7.798 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.658 7.423 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.082 9.453 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.376 9.841 1.974 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.332 9.523 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.690 11.657 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.076 13.072 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.832 11.346 -1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.155 12.896 -1.166 1.00 0.00 H new ATOM 963 N GLU A 62 -8.323 4.255 2.478 1.00 0.00 N ATOM 964 CA GLU A 62 -9.444 3.497 1.933 1.00 0.00 C ATOM 965 C GLU A 62 -10.334 4.377 1.059 1.00 0.00 C ATOM 966 O GLU A 62 -11.011 5.279 1.555 1.00 0.00 O ATOM 967 CB GLU A 62 -10.270 2.886 3.068 1.00 0.00 C ATOM 968 CG GLU A 62 -11.413 2.007 2.587 1.00 0.00 C ATOM 969 CD GLU A 62 -12.246 1.457 3.729 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.223 2.126 4.126 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.923 0.358 4.225 1.00 0.00 O ATOM 0 H GLU A 62 -8.236 4.203 3.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.038 2.699 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.613 2.295 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.675 3.689 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.054 2.583 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.009 1.179 2.005 1.00 0.00 H new ATOM 978 N VAL A 63 -10.324 4.110 -0.241 1.00 0.00 N ATOM 979 CA VAL A 63 -11.132 4.870 -1.187 1.00 0.00 C ATOM 980 C VAL A 63 -12.407 4.106 -1.546 1.00 0.00 C ATOM 981 O VAL A 63 -12.449 2.878 -1.459 1.00 0.00 O ATOM 982 CB VAL A 63 -10.338 5.180 -2.474 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.986 3.899 -3.212 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.117 6.126 -3.375 1.00 0.00 C ATOM 0 H VAL A 63 -9.764 3.371 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.401 5.810 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.409 5.673 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.427 4.142 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.378 3.264 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.901 3.372 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.538 6.330 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.066 5.667 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.306 7.060 -2.846 1.00 0.00 H new