USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 406 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00622 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.13! C(o=-1.1!,f=-1.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.677 -7.135 -13.581 1.00 0.00 N ATOM 90 CA ILE A 10 0.198 -6.303 -12.484 1.00 0.00 C ATOM 91 C ILE A 10 -0.995 -6.948 -11.786 1.00 0.00 C ATOM 92 O ILE A 10 -2.047 -7.153 -12.393 1.00 0.00 O ATOM 93 CB ILE A 10 -0.206 -4.901 -12.976 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.984 -4.207 -13.641 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.734 -4.066 -11.819 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.584 -3.134 -14.629 1.00 0.00 C ATOM 0 HA ILE A 10 1.022 -6.207 -11.777 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.000 -5.006 -13.715 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.612 -3.763 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.589 -4.954 -14.154 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.016 -3.078 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.606 -4.555 -11.385 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.041 -3.966 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.479 -2.685 -15.061 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.019 -3.576 -15.422 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.004 -2.366 -14.117 1.00 0.00 H new ATOM 108 N VAL A 11 -0.825 -7.265 -10.506 1.00 0.00 N ATOM 109 CA VAL A 11 -1.888 -7.884 -9.724 1.00 0.00 C ATOM 110 C VAL A 11 -2.798 -6.830 -9.103 1.00 0.00 C ATOM 111 O VAL A 11 -2.327 -5.870 -8.492 1.00 0.00 O ATOM 112 CB VAL A 11 -1.316 -8.776 -8.606 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.433 -9.298 -7.715 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.515 -9.924 -9.200 1.00 0.00 C ATOM 0 H VAL A 11 0.039 -7.103 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.467 -8.502 -10.410 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.646 -8.175 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.010 -9.926 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.960 -8.458 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.131 -9.884 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.118 -10.545 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.161 -10.527 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.309 -9.525 -9.791 1.00 0.00 H new ATOM 124 N SER A 12 -4.104 -7.016 -9.262 1.00 0.00 N ATOM 125 CA SER A 12 -5.081 -6.079 -8.719 1.00 0.00 C ATOM 126 C SER A 12 -5.750 -6.652 -7.474 1.00 0.00 C ATOM 127 O SER A 12 -6.438 -7.671 -7.538 1.00 0.00 O ATOM 128 CB SER A 12 -6.140 -5.746 -9.773 1.00 0.00 C ATOM 129 OG SER A 12 -5.588 -4.973 -10.824 1.00 0.00 O ATOM 0 H SER A 12 -4.510 -7.807 -9.762 1.00 0.00 H new ATOM 0 HA SER A 12 -4.556 -5.166 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.558 -6.668 -10.177 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.961 -5.200 -9.308 1.00 0.00 H new ATOM 0 HG SER A 12 -6.284 -4.775 -11.485 1.00 0.00 H new ATOM 135 N ALA A 13 -5.542 -5.990 -6.340 1.00 0.00 N ATOM 136 CA ALA A 13 -6.125 -6.432 -5.079 1.00 0.00 C ATOM 137 C ALA A 13 -7.183 -5.448 -4.590 1.00 0.00 C ATOM 138 O ALA A 13 -7.222 -4.298 -5.025 1.00 0.00 O ATOM 139 CB ALA A 13 -5.039 -6.608 -4.029 1.00 0.00 C ATOM 0 H ALA A 13 -4.974 -5.146 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.610 -7.393 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.488 -6.938 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.321 -7.354 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.528 -5.658 -3.871 1.00 0.00 H new ATOM 145 N GLU A 14 -8.038 -5.910 -3.683 1.00 0.00 N ATOM 146 CA GLU A 14 -9.098 -5.069 -3.136 1.00 0.00 C ATOM 147 C GLU A 14 -9.020 -5.018 -1.613 1.00 0.00 C ATOM 148 O GLU A 14 -8.971 -6.053 -0.949 1.00 0.00 O ATOM 149 CB GLU A 14 -10.469 -5.592 -3.571 1.00 0.00 C ATOM 150 CG GLU A 14 -11.632 -4.838 -2.949 1.00 0.00 C ATOM 151 CD GLU A 14 -12.977 -5.312 -3.464 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.397 -4.847 -4.544 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.609 -6.150 -2.787 1.00 0.00 O ATOM 0 H GLU A 14 -8.018 -6.860 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.963 -4.059 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.545 -5.529 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.547 -6.647 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.599 -4.957 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.522 -3.774 -3.156 1.00 0.00 H new ATOM 160 N ALA A 15 -9.008 -3.806 -1.068 1.00 0.00 N ATOM 161 CA ALA A 15 -8.938 -3.619 0.376 1.00 0.00 C ATOM 162 C ALA A 15 -10.064 -4.366 1.082 1.00 0.00 C ATOM 163 O ALA A 15 -11.241 -4.152 0.793 1.00 0.00 O ATOM 164 CB ALA A 15 -8.987 -2.138 0.719 1.00 0.00 C ATOM 0 H ALA A 15 -9.046 -2.939 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.991 -4.030 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.934 -2.013 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.144 -1.629 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.919 -1.710 0.350 1.00 0.00 H new ATOM 170 N VAL A 16 -9.696 -5.244 2.009 1.00 0.00 N ATOM 171 CA VAL A 16 -10.676 -6.023 2.757 1.00 0.00 C ATOM 172 C VAL A 16 -10.982 -5.374 4.102 1.00 0.00 C ATOM 173 O VAL A 16 -12.087 -5.505 4.629 1.00 0.00 O ATOM 174 CB VAL A 16 -10.185 -7.463 2.994 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.365 -8.416 3.116 1.00 0.00 C ATOM 176 CG2 VAL A 16 -9.251 -7.899 1.875 1.00 0.00 C ATOM 0 H VAL A 16 -8.726 -5.434 2.260 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.584 -6.051 2.155 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.629 -7.489 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.999 -9.429 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.992 -8.114 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.951 -8.389 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.914 -8.919 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.780 -7.858 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.389 -7.233 1.840 1.00 0.00 H new ATOM 186 N TRP A 17 -9.997 -4.674 4.653 1.00 0.00 N ATOM 187 CA TRP A 17 -10.161 -4.004 5.938 1.00 0.00 C ATOM 188 C TRP A 17 -9.597 -2.588 5.890 1.00 0.00 C ATOM 189 O TRP A 17 -8.473 -2.374 5.436 1.00 0.00 O ATOM 190 CB TRP A 17 -9.472 -4.803 7.045 1.00 0.00 C ATOM 191 CG TRP A 17 -10.164 -6.094 7.365 1.00 0.00 C ATOM 192 CD1 TRP A 17 -9.851 -7.333 6.884 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.288 -6.271 8.234 1.00 0.00 C ATOM 194 NE1 TRP A 17 -10.712 -8.270 7.403 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.602 -7.644 8.234 1.00 0.00 C ATOM 196 CE3 TRP A 17 -12.058 -5.404 9.014 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.653 -8.167 8.983 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -13.101 -5.924 9.757 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.391 -7.295 9.737 1.00 0.00 C ATOM 0 H TRP A 17 -9.076 -4.556 4.230 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.228 -3.943 6.154 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.445 -5.014 6.746 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.422 -4.193 7.947 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.045 -7.545 6.197 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -10.691 -9.270 7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.842 -4.346 9.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -12.878 -9.223 8.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -13.703 -5.263 10.363 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -14.213 -7.671 10.328 1.00 0.00 H new ATOM 210 N ASP A 18 -10.383 -1.627 6.360 1.00 0.00 N ATOM 211 CA ASP A 18 -9.961 -0.231 6.371 1.00 0.00 C ATOM 212 C ASP A 18 -8.685 -0.056 7.189 1.00 0.00 C ATOM 213 O ASP A 18 -8.702 -0.159 8.416 1.00 0.00 O ATOM 214 CB ASP A 18 -11.071 0.656 6.939 1.00 0.00 C ATOM 215 CG ASP A 18 -12.443 0.262 6.430 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.905 -0.850 6.764 1.00 0.00 O ATOM 217 OD2 ASP A 18 -13.057 1.066 5.697 1.00 0.00 O ATOM 0 H ASP A 18 -11.316 -1.788 6.739 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.757 0.069 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.059 0.596 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.873 1.695 6.675 1.00 0.00 H new ATOM 222 N HIS A 19 -7.579 0.209 6.501 1.00 0.00 N ATOM 223 CA HIS A 19 -6.293 0.397 7.163 1.00 0.00 C ATOM 224 C HIS A 19 -5.882 1.867 7.142 1.00 0.00 C ATOM 225 O HIS A 19 -5.043 2.275 6.339 1.00 0.00 O ATOM 226 CB HIS A 19 -5.218 -0.455 6.489 1.00 0.00 C ATOM 227 CG HIS A 19 -3.845 -0.242 7.049 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.771 0.150 6.279 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.376 -0.366 8.313 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.699 0.256 7.044 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.039 -0.052 8.283 1.00 0.00 N ATOM 0 H HIS A 19 -7.547 0.298 5.485 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.397 0.081 8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.484 -1.507 6.591 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.205 -0.231 5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.946 -0.657 9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.713 0.545 6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.411 -0.056 9.087 1.00 0.00 H new ATOM 240 N VAL A 20 -6.478 2.656 8.030 1.00 0.00 N ATOM 241 CA VAL A 20 -6.173 4.079 8.113 1.00 0.00 C ATOM 242 C VAL A 20 -5.034 4.341 9.091 1.00 0.00 C ATOM 243 O VAL A 20 -5.093 3.938 10.254 1.00 0.00 O ATOM 244 CB VAL A 20 -7.406 4.893 8.549 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.045 6.360 8.720 1.00 0.00 C ATOM 246 CG2 VAL A 20 -8.536 4.727 7.544 1.00 0.00 C ATOM 0 H VAL A 20 -7.175 2.334 8.702 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.871 4.396 7.115 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.748 4.514 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.929 6.919 9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.270 6.458 9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.677 6.757 7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.399 5.309 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.208 5.078 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.812 3.675 7.477 1.00 0.00 H new ATOM 256 N THR A 21 -3.995 5.019 8.614 1.00 0.00 N ATOM 257 CA THR A 21 -2.840 5.335 9.445 1.00 0.00 C ATOM 258 C THR A 21 -2.531 6.827 9.414 1.00 0.00 C ATOM 259 O THR A 21 -2.743 7.493 8.401 1.00 0.00 O ATOM 260 CB THR A 21 -1.592 4.554 8.993 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.408 5.290 9.322 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.632 4.291 7.495 1.00 0.00 C ATOM 0 H THR A 21 -3.930 5.360 7.655 1.00 0.00 H new ATOM 0 HA THR A 21 -3.094 5.041 10.463 1.00 0.00 H new ATOM 0 HB THR A 21 -1.581 3.597 9.514 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.381 4.786 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.741 3.738 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.519 3.706 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.665 5.240 6.960 1.00 0.00 H new ATOM 270 N MET A 22 -2.029 7.346 10.530 1.00 0.00 N ATOM 271 CA MET A 22 -1.690 8.761 10.628 1.00 0.00 C ATOM 272 C MET A 22 -0.482 9.092 9.757 1.00 0.00 C ATOM 273 O MET A 22 -0.469 10.103 9.056 1.00 0.00 O ATOM 274 CB MET A 22 -1.402 9.139 12.083 1.00 0.00 C ATOM 275 CG MET A 22 -1.369 10.639 12.326 1.00 0.00 C ATOM 276 SD MET A 22 -2.890 11.459 11.812 1.00 0.00 S ATOM 277 CE MET A 22 -3.900 11.249 13.276 1.00 0.00 C ATOM 0 H MET A 22 -1.848 6.809 11.378 1.00 0.00 H new ATOM 0 HA MET A 22 -2.543 9.339 10.272 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.163 8.692 12.723 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.444 8.710 12.379 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.199 10.828 13.386 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.527 11.072 11.786 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.876 11.706 13.113 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.026 10.186 13.482 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.413 11.727 14.126 1.00 0.00 H new ATOM 287 N ALA A 23 0.531 8.234 9.807 1.00 0.00 N ATOM 288 CA ALA A 23 1.742 8.434 9.020 1.00 0.00 C ATOM 289 C ALA A 23 1.416 8.588 7.539 1.00 0.00 C ATOM 290 O ALA A 23 0.690 7.776 6.966 1.00 0.00 O ATOM 291 CB ALA A 23 2.707 7.278 9.233 1.00 0.00 C ATOM 0 H ALA A 23 0.537 7.393 10.384 1.00 0.00 H new ATOM 0 HA ALA A 23 2.216 9.355 9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.607 7.441 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.975 7.217 10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.232 6.346 8.925 1.00 0.00 H new ATOM 297 N ASN A 24 1.956 9.635 6.924 1.00 0.00 N ATOM 298 CA ASN A 24 1.721 9.895 5.508 1.00 0.00 C ATOM 299 C ASN A 24 2.545 8.952 4.637 1.00 0.00 C ATOM 300 O ASN A 24 2.032 8.362 3.686 1.00 0.00 O ATOM 301 CB ASN A 24 2.063 11.348 5.172 1.00 0.00 C ATOM 302 CG ASN A 24 3.554 11.619 5.227 1.00 0.00 C ATOM 303 OD1 ASN A 24 4.115 11.848 6.299 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.203 11.593 4.069 1.00 0.00 N ATOM 0 H ASN A 24 2.559 10.317 7.384 1.00 0.00 H new ATOM 0 HA ASN A 24 0.665 9.720 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.690 11.585 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.550 12.010 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.208 11.767 4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.697 11.399 3.205 1.00 0.00 H new ATOM 311 N ARG A 25 3.825 8.815 4.969 1.00 0.00 N ATOM 312 CA ARG A 25 4.720 7.945 4.217 1.00 0.00 C ATOM 313 C ARG A 25 4.022 6.641 3.840 1.00 0.00 C ATOM 314 O ARG A 25 4.032 6.234 2.679 1.00 0.00 O ATOM 315 CB ARG A 25 5.978 7.644 5.034 1.00 0.00 C ATOM 316 CG ARG A 25 6.842 8.867 5.295 1.00 0.00 C ATOM 317 CD ARG A 25 7.700 8.688 6.537 1.00 0.00 C ATOM 318 NE ARG A 25 6.893 8.585 7.750 1.00 0.00 N ATOM 319 CZ ARG A 25 7.402 8.351 8.954 1.00 0.00 C ATOM 320 NH1 ARG A 25 8.710 8.196 9.106 1.00 0.00 N ATOM 321 NH2 ARG A 25 6.602 8.271 10.010 1.00 0.00 N ATOM 0 H ARG A 25 4.265 9.296 5.754 1.00 0.00 H new ATOM 0 HA ARG A 25 5.004 8.463 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.685 7.206 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.572 6.896 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.482 9.052 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.206 9.744 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.310 7.791 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.386 9.530 6.628 1.00 0.00 H new ATOM 0 HE ARG A 25 5.883 8.699 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.328 8.256 8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.098 8.016 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.595 8.389 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.994 8.091 10.934 1.00 0.00 H new ATOM 335 N GLU A 26 3.416 5.993 4.830 1.00 0.00 N ATOM 336 CA GLU A 26 2.714 4.735 4.602 1.00 0.00 C ATOM 337 C GLU A 26 1.587 4.917 3.589 1.00 0.00 C ATOM 338 O GLU A 26 1.251 6.041 3.213 1.00 0.00 O ATOM 339 CB GLU A 26 2.151 4.194 5.917 1.00 0.00 C ATOM 340 CG GLU A 26 3.187 3.494 6.781 1.00 0.00 C ATOM 341 CD GLU A 26 4.405 4.357 7.044 1.00 0.00 C ATOM 342 OE1 GLU A 26 5.318 4.369 6.191 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.447 5.020 8.102 1.00 0.00 O ATOM 0 H GLU A 26 3.397 6.318 5.797 1.00 0.00 H new ATOM 0 HA GLU A 26 3.429 4.017 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.716 5.018 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.343 3.497 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.733 3.214 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.499 2.571 6.292 1.00 0.00 H new ATOM 350 N LEU A 27 1.007 3.805 3.152 1.00 0.00 N ATOM 351 CA LEU A 27 -0.082 3.841 2.183 1.00 0.00 C ATOM 352 C LEU A 27 -1.426 3.605 2.865 1.00 0.00 C ATOM 353 O LEU A 27 -1.853 2.465 3.040 1.00 0.00 O ATOM 354 CB LEU A 27 0.142 2.788 1.096 1.00 0.00 C ATOM 355 CG LEU A 27 -0.852 2.802 -0.067 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.748 4.106 -0.842 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.614 1.612 -0.986 1.00 0.00 C ATOM 0 H LEU A 27 1.273 2.867 3.453 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.096 4.830 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.146 2.920 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.113 1.803 1.561 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.860 2.725 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.462 4.098 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.969 4.942 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.262 4.214 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.330 1.638 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.399 1.658 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.741 0.687 -0.424 1.00 0.00 H new ATOM 369 N ALA A 28 -2.089 4.693 3.246 1.00 0.00 N ATOM 370 CA ALA A 28 -3.386 4.605 3.905 1.00 0.00 C ATOM 371 C ALA A 28 -4.507 4.423 2.887 1.00 0.00 C ATOM 372 O ALA A 28 -4.568 5.132 1.882 1.00 0.00 O ATOM 373 CB ALA A 28 -3.634 5.846 4.750 1.00 0.00 C ATOM 0 H ALA A 28 -1.749 5.645 3.109 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.377 3.731 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.606 5.767 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.855 5.932 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.618 6.730 4.112 1.00 0.00 H new ATOM 379 N PHE A 29 -5.393 3.469 3.154 1.00 0.00 N ATOM 380 CA PHE A 29 -6.512 3.193 2.261 1.00 0.00 C ATOM 381 C PHE A 29 -7.741 2.750 3.049 1.00 0.00 C ATOM 382 O PHE A 29 -7.647 2.407 4.228 1.00 0.00 O ATOM 383 CB PHE A 29 -6.127 2.114 1.246 1.00 0.00 C ATOM 384 CG PHE A 29 -5.335 0.985 1.841 1.00 0.00 C ATOM 385 CD1 PHE A 29 -5.952 0.034 2.638 1.00 0.00 C ATOM 386 CD2 PHE A 29 -3.975 0.875 1.605 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.226 -1.005 3.188 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.243 -0.162 2.152 1.00 0.00 C ATOM 389 CZ PHE A 29 -3.870 -1.104 2.944 1.00 0.00 C ATOM 0 H PHE A 29 -5.358 2.874 3.982 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.756 4.113 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.034 1.712 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.547 2.571 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.012 0.106 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.480 1.609 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.718 -1.739 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.183 -0.236 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.301 -1.916 3.372 1.00 0.00 H new ATOM 399 N LYS A 30 -8.894 2.760 2.389 1.00 0.00 N ATOM 400 CA LYS A 30 -10.144 2.359 3.026 1.00 0.00 C ATOM 401 C LYS A 30 -10.786 1.195 2.279 1.00 0.00 C ATOM 402 O LYS A 30 -10.563 1.015 1.082 1.00 0.00 O ATOM 403 CB LYS A 30 -11.114 3.541 3.081 1.00 0.00 C ATOM 404 CG LYS A 30 -10.546 4.762 3.784 1.00 0.00 C ATOM 405 CD LYS A 30 -10.843 4.735 5.274 1.00 0.00 C ATOM 406 CE LYS A 30 -12.297 5.080 5.559 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.591 5.079 7.019 1.00 0.00 N ATOM 0 H LYS A 30 -8.989 3.041 1.413 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.918 2.035 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.396 3.816 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.025 3.229 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.468 4.805 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.968 5.666 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.618 3.746 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.193 5.442 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.526 6.061 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.946 4.362 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.591 5.319 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.397 4.136 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.990 5.782 7.495 1.00 0.00 H new ATOM 421 N ALA A 31 -11.585 0.409 2.992 1.00 0.00 N ATOM 422 CA ALA A 31 -12.262 -0.736 2.395 1.00 0.00 C ATOM 423 C ALA A 31 -12.949 -0.348 1.090 1.00 0.00 C ATOM 424 O ALA A 31 -13.822 0.519 1.071 1.00 0.00 O ATOM 425 CB ALA A 31 -13.272 -1.320 3.372 1.00 0.00 C ATOM 0 H ALA A 31 -11.780 0.544 3.984 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.512 -1.494 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.770 -2.174 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.758 -1.643 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.013 -0.562 3.626 1.00 0.00 H new ATOM 431 N GLY A 32 -12.549 -0.995 0.000 1.00 0.00 N ATOM 432 CA GLY A 32 -13.136 -0.703 -1.294 1.00 0.00 C ATOM 433 C GLY A 32 -12.128 -0.134 -2.273 1.00 0.00 C ATOM 434 O GLY A 32 -12.162 -0.450 -3.463 1.00 0.00 O ATOM 0 H GLY A 32 -11.828 -1.717 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.566 -1.615 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.954 0.006 -1.167 1.00 0.00 H new ATOM 438 N ASP A 33 -11.230 0.707 -1.774 1.00 0.00 N ATOM 439 CA ASP A 33 -10.208 1.322 -2.613 1.00 0.00 C ATOM 440 C ASP A 33 -9.402 0.259 -3.354 1.00 0.00 C ATOM 441 O ASP A 33 -9.067 -0.784 -2.793 1.00 0.00 O ATOM 442 CB ASP A 33 -9.275 2.189 -1.765 1.00 0.00 C ATOM 443 CG ASP A 33 -9.801 3.599 -1.584 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.652 3.805 -0.692 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.362 4.496 -2.333 1.00 0.00 O ATOM 0 H ASP A 33 -11.189 0.979 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.707 1.952 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.142 1.726 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.293 2.228 -2.236 1.00 0.00 H new ATOM 450 N VAL A 34 -9.095 0.532 -4.618 1.00 0.00 N ATOM 451 CA VAL A 34 -8.328 -0.400 -5.436 1.00 0.00 C ATOM 452 C VAL A 34 -6.869 0.030 -5.539 1.00 0.00 C ATOM 453 O VAL A 34 -6.572 1.178 -5.873 1.00 0.00 O ATOM 454 CB VAL A 34 -8.918 -0.519 -6.854 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.142 -1.541 -7.671 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.393 -0.886 -6.788 1.00 0.00 C ATOM 0 H VAL A 34 -9.366 1.391 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.383 -1.371 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.830 0.449 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.573 -1.612 -8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.100 -1.231 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.196 -2.514 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.794 -0.966 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.508 -1.841 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.936 -0.114 -6.242 1.00 0.00 H new ATOM 466 N ILE A 35 -5.963 -0.897 -5.250 1.00 0.00 N ATOM 467 CA ILE A 35 -4.534 -0.614 -5.312 1.00 0.00 C ATOM 468 C ILE A 35 -3.840 -1.507 -6.335 1.00 0.00 C ATOM 469 O ILE A 35 -4.110 -2.705 -6.414 1.00 0.00 O ATOM 470 CB ILE A 35 -3.862 -0.807 -3.939 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.642 -0.061 -2.855 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.419 -0.330 -3.984 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.554 -0.710 -1.492 1.00 0.00 C ATOM 0 H ILE A 35 -6.192 -1.851 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.432 0.428 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.865 -1.870 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.267 0.960 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.689 0.003 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.958 -0.473 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.870 -0.902 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.393 0.728 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.130 -0.127 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.956 -1.722 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.512 -0.749 -1.174 1.00 0.00 H new ATOM 485 N LYS A 36 -2.943 -0.915 -7.116 1.00 0.00 N ATOM 486 CA LYS A 36 -2.207 -1.655 -8.134 1.00 0.00 C ATOM 487 C LYS A 36 -0.945 -2.279 -7.546 1.00 0.00 C ATOM 488 O LYS A 36 0.078 -1.612 -7.397 1.00 0.00 O ATOM 489 CB LYS A 36 -1.838 -0.733 -9.298 1.00 0.00 C ATOM 490 CG LYS A 36 -2.888 -0.688 -10.395 1.00 0.00 C ATOM 491 CD LYS A 36 -2.666 0.488 -11.331 1.00 0.00 C ATOM 492 CE LYS A 36 -3.155 0.180 -12.738 1.00 0.00 C ATOM 493 NZ LYS A 36 -4.641 0.094 -12.802 1.00 0.00 N ATOM 0 H LYS A 36 -2.708 0.076 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.850 -2.455 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.681 0.276 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.891 -1.063 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.861 -1.617 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.880 -0.616 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.188 1.364 -10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.605 0.737 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.806 0.954 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.722 -0.762 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.935 -0.117 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.973 -0.662 -12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.054 1.001 -12.505 1.00 0.00 H new ATOM 507 N VAL A 37 -1.025 -3.564 -7.214 1.00 0.00 N ATOM 508 CA VAL A 37 0.111 -4.279 -6.645 1.00 0.00 C ATOM 509 C VAL A 37 1.224 -4.449 -7.673 1.00 0.00 C ATOM 510 O VAL A 37 1.028 -5.069 -8.720 1.00 0.00 O ATOM 511 CB VAL A 37 -0.304 -5.666 -6.120 1.00 0.00 C ATOM 512 CG1 VAL A 37 0.814 -6.281 -5.294 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.586 -5.566 -5.307 1.00 0.00 C ATOM 0 H VAL A 37 -1.865 -4.131 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 37 0.478 -3.679 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.492 -6.317 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.502 -7.261 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.705 -6.389 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.037 -5.635 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.865 -6.555 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.428 -4.899 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.385 -5.172 -5.935 1.00 0.00 H new ATOM 523 N LEU A 38 2.393 -3.896 -7.369 1.00 0.00 N ATOM 524 CA LEU A 38 3.539 -3.987 -8.266 1.00 0.00 C ATOM 525 C LEU A 38 4.501 -5.080 -7.812 1.00 0.00 C ATOM 526 O LEU A 38 4.779 -6.024 -8.552 1.00 0.00 O ATOM 527 CB LEU A 38 4.269 -2.644 -8.331 1.00 0.00 C ATOM 528 CG LEU A 38 3.387 -1.410 -8.521 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.156 -0.145 -8.169 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.868 -1.340 -9.950 1.00 0.00 C ATOM 0 H LEU A 38 2.572 -3.380 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 38 3.171 -4.242 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.841 -2.519 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.987 -2.683 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 38 2.533 -1.491 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.512 0.723 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.478 -0.193 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.029 -0.058 -8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.242 -0.455 -10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.710 -1.283 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.280 -2.232 -10.168 1.00 0.00 H new ATOM 542 N ASP A 39 5.005 -4.947 -6.590 1.00 0.00 N ATOM 543 CA ASP A 39 5.933 -5.925 -6.035 1.00 0.00 C ATOM 544 C ASP A 39 5.185 -7.008 -5.264 1.00 0.00 C ATOM 545 O ASP A 39 4.620 -6.749 -4.201 1.00 0.00 O ATOM 546 CB ASP A 39 6.946 -5.237 -5.119 1.00 0.00 C ATOM 547 CG ASP A 39 8.271 -5.972 -5.064 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.950 -6.050 -6.109 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.629 -6.467 -3.975 1.00 0.00 O ATOM 0 H ASP A 39 4.786 -4.171 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 39 6.464 -6.395 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.113 -4.218 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.532 -5.165 -4.113 1.00 0.00 H new ATOM 554 N ALA A 40 5.185 -8.221 -5.807 1.00 0.00 N ATOM 555 CA ALA A 40 4.507 -9.343 -5.169 1.00 0.00 C ATOM 556 C ALA A 40 5.405 -10.575 -5.127 1.00 0.00 C ATOM 557 O ALA A 40 5.299 -11.461 -5.975 1.00 0.00 O ATOM 558 CB ALA A 40 3.209 -9.659 -5.898 1.00 0.00 C ATOM 0 H ALA A 40 5.647 -8.452 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 40 4.275 -9.059 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.713 -10.499 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.555 -8.787 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.427 -9.918 -6.934 1.00 0.00 H new ATOM 611 N ASP A 44 4.329 -10.579 2.859 1.00 0.00 N ATOM 612 CA ASP A 44 4.718 -9.751 3.994 1.00 0.00 C ATOM 613 C ASP A 44 4.615 -8.269 3.646 1.00 0.00 C ATOM 614 O ASP A 44 3.745 -7.562 4.154 1.00 0.00 O ATOM 615 CB ASP A 44 6.145 -10.086 4.432 1.00 0.00 C ATOM 616 CG ASP A 44 6.189 -11.208 5.451 1.00 0.00 C ATOM 617 OD1 ASP A 44 5.215 -11.350 6.220 1.00 0.00 O ATOM 618 OD2 ASP A 44 7.198 -11.944 5.480 1.00 0.00 O ATOM 0 HA ASP A 44 4.035 -9.962 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.733 -10.369 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.611 -9.196 4.855 1.00 0.00 H new ATOM 623 N TRP A 45 5.508 -7.807 2.779 1.00 0.00 N ATOM 624 CA TRP A 45 5.518 -6.409 2.364 1.00 0.00 C ATOM 625 C TRP A 45 5.260 -6.283 0.867 1.00 0.00 C ATOM 626 O TRP A 45 6.134 -6.577 0.051 1.00 0.00 O ATOM 627 CB TRP A 45 6.857 -5.759 2.720 1.00 0.00 C ATOM 628 CG TRP A 45 7.063 -5.594 4.195 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.059 -6.144 4.950 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.253 -4.828 5.094 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.917 -5.766 6.264 1.00 0.00 N ATOM 632 CE2 TRP A 45 6.817 -4.958 6.378 1.00 0.00 C ATOM 633 CE3 TRP A 45 5.107 -4.043 4.938 1.00 0.00 C ATOM 634 CZ2 TRP A 45 6.272 -4.334 7.497 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.567 -3.425 6.049 1.00 0.00 C ATOM 636 CH2 TRP A 45 5.150 -3.572 7.315 1.00 0.00 C ATOM 0 H TRP A 45 6.235 -8.380 2.350 1.00 0.00 H new ATOM 0 HA TRP A 45 4.719 -5.893 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.667 -6.365 2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.918 -4.782 2.240 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.843 -6.782 4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.531 -6.042 7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.652 -3.922 3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.719 -4.447 8.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.680 -2.818 5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.705 -3.074 8.164 1.00 0.00 H new ATOM 647 N TRP A 46 4.058 -5.845 0.513 1.00 0.00 N ATOM 648 CA TRP A 46 3.686 -5.681 -0.888 1.00 0.00 C ATOM 649 C TRP A 46 3.519 -4.206 -1.237 1.00 0.00 C ATOM 650 O TRP A 46 2.873 -3.455 -0.505 1.00 0.00 O ATOM 651 CB TRP A 46 2.391 -6.438 -1.185 1.00 0.00 C ATOM 652 CG TRP A 46 2.618 -7.852 -1.627 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.787 -8.555 -1.559 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.651 -8.734 -2.208 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.605 -9.820 -2.062 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.304 -9.956 -2.466 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.298 -8.612 -2.533 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.647 -11.044 -3.034 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.352 -9.693 -3.097 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.322 -10.897 -3.343 1.00 0.00 C ATOM 0 H TRP A 46 3.324 -5.597 1.176 1.00 0.00 H new ATOM 0 HA TRP A 46 4.487 -6.092 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.767 -6.440 -0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.838 -5.907 -1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.718 -8.172 -1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.323 -10.542 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.231 -7.689 -2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.165 -11.972 -3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.398 -9.609 -3.353 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.214 -11.724 -3.785 1.00 0.00 H new ATOM 671 N TRP A 47 4.102 -3.798 -2.358 1.00 0.00 N ATOM 672 CA TRP A 47 4.017 -2.412 -2.804 1.00 0.00 C ATOM 673 C TRP A 47 2.839 -2.217 -3.752 1.00 0.00 C ATOM 674 O TRP A 47 2.619 -3.021 -4.657 1.00 0.00 O ATOM 675 CB TRP A 47 5.317 -1.996 -3.493 1.00 0.00 C ATOM 676 CG TRP A 47 5.447 -0.513 -3.670 1.00 0.00 C ATOM 677 CD1 TRP A 47 5.358 0.183 -4.842 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.691 0.455 -2.643 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.532 1.526 -4.605 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.737 1.718 -3.264 1.00 0.00 C ATOM 681 CE3 TRP A 47 5.873 0.377 -1.260 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.958 2.892 -2.548 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.093 1.543 -0.551 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.133 2.786 -1.195 1.00 0.00 C ATOM 0 H TRP A 47 4.639 -4.407 -2.975 1.00 0.00 H new ATOM 0 HA TRP A 47 3.862 -1.783 -1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.162 -2.361 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.373 -2.478 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.178 -0.257 -5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.512 2.260 -5.313 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.842 -0.577 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.990 3.851 -3.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 6.237 1.495 0.518 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.305 3.679 -0.612 1.00 0.00 H new ATOM 695 N GLY A 48 2.085 -1.143 -3.539 1.00 0.00 N ATOM 696 CA GLY A 48 0.939 -0.863 -4.384 1.00 0.00 C ATOM 697 C GLY A 48 1.007 0.514 -5.015 1.00 0.00 C ATOM 698 O GLY A 48 1.774 1.368 -4.573 1.00 0.00 O ATOM 0 H GLY A 48 2.247 -0.462 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.878 -1.617 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.027 -0.944 -3.793 1.00 0.00 H new ATOM 702 N GLN A 49 0.203 0.729 -6.051 1.00 0.00 N ATOM 703 CA GLN A 49 0.178 2.011 -6.745 1.00 0.00 C ATOM 704 C GLN A 49 -1.237 2.579 -6.787 1.00 0.00 C ATOM 705 O GLN A 49 -2.128 2.008 -7.417 1.00 0.00 O ATOM 706 CB GLN A 49 0.720 1.856 -8.167 1.00 0.00 C ATOM 707 CG GLN A 49 0.903 3.178 -8.896 1.00 0.00 C ATOM 708 CD GLN A 49 1.633 3.020 -10.215 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.640 3.683 -10.463 1.00 0.00 O ATOM 710 NE2 GLN A 49 1.127 2.139 -11.071 1.00 0.00 N ATOM 0 H GLN A 49 -0.439 0.032 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 49 0.813 2.706 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.678 1.337 -8.127 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.039 1.226 -8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.074 3.627 -9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.457 3.867 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.290 1.611 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.575 1.991 -11.975 1.00 0.00 H new ATOM 719 N ILE A 50 -1.436 3.707 -6.112 1.00 0.00 N ATOM 720 CA ILE A 50 -2.742 4.352 -6.074 1.00 0.00 C ATOM 721 C ILE A 50 -2.764 5.603 -6.946 1.00 0.00 C ATOM 722 O ILE A 50 -1.726 6.215 -7.197 1.00 0.00 O ATOM 723 CB ILE A 50 -3.138 4.736 -4.636 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.356 3.480 -3.790 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.391 5.600 -4.644 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.777 3.774 -2.368 1.00 0.00 C ATOM 0 H ILE A 50 -0.710 4.192 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.461 3.630 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.326 5.312 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.117 2.860 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.434 2.898 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.658 5.863 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.202 6.509 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.211 5.047 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.913 2.837 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.007 4.368 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.715 4.329 -2.374 1.00 0.00 H new ATOM 738 N ASP A 51 -3.953 5.978 -7.404 1.00 0.00 N ATOM 739 CA ASP A 51 -4.111 7.158 -8.246 1.00 0.00 C ATOM 740 C ASP A 51 -3.068 8.216 -7.900 1.00 0.00 C ATOM 741 O ASP A 51 -2.227 8.566 -8.728 1.00 0.00 O ATOM 742 CB ASP A 51 -5.517 7.739 -8.088 1.00 0.00 C ATOM 743 CG ASP A 51 -5.999 8.436 -9.345 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.156 9.009 -10.067 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.220 8.409 -9.607 1.00 0.00 O ATOM 0 H ASP A 51 -4.822 5.482 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.966 6.856 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.211 6.939 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.524 8.446 -7.258 1.00 0.00 H new ATOM 750 N ASP A 52 -3.130 8.721 -6.673 1.00 0.00 N ATOM 751 CA ASP A 52 -2.191 9.740 -6.217 1.00 0.00 C ATOM 752 C ASP A 52 -1.630 9.386 -4.844 1.00 0.00 C ATOM 753 O ASP A 52 -1.207 10.262 -4.091 1.00 0.00 O ATOM 754 CB ASP A 52 -2.875 11.107 -6.166 1.00 0.00 C ATOM 755 CG ASP A 52 -1.962 12.190 -5.626 1.00 0.00 C ATOM 756 OD1 ASP A 52 -0.896 12.426 -6.233 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.314 12.804 -4.597 1.00 0.00 O ATOM 0 H ASP A 52 -3.820 8.442 -5.976 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.365 9.782 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.207 11.382 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.766 11.042 -5.541 1.00 0.00 H new ATOM 762 N GLU A 53 -1.632 8.095 -4.524 1.00 0.00 N ATOM 763 CA GLU A 53 -1.125 7.626 -3.240 1.00 0.00 C ATOM 764 C GLU A 53 -0.091 6.521 -3.434 1.00 0.00 C ATOM 765 O GLU A 53 -0.186 5.726 -4.368 1.00 0.00 O ATOM 766 CB GLU A 53 -2.274 7.118 -2.367 1.00 0.00 C ATOM 767 CG GLU A 53 -2.878 8.188 -1.473 1.00 0.00 C ATOM 768 CD GLU A 53 -2.080 8.406 -0.203 1.00 0.00 C ATOM 769 OE1 GLU A 53 -1.634 7.405 0.397 1.00 0.00 O ATOM 770 OE2 GLU A 53 -1.900 9.577 0.192 1.00 0.00 O ATOM 0 H GLU A 53 -1.979 7.356 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.643 8.466 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.054 6.710 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.912 6.299 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.938 9.126 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.898 7.905 -1.213 1.00 0.00 H new ATOM 777 N GLU A 54 0.896 6.478 -2.544 1.00 0.00 N ATOM 778 CA GLU A 54 1.947 5.471 -2.619 1.00 0.00 C ATOM 779 C GLU A 54 2.608 5.271 -1.257 1.00 0.00 C ATOM 780 O GLU A 54 2.804 6.225 -0.505 1.00 0.00 O ATOM 781 CB GLU A 54 3.000 5.875 -3.653 1.00 0.00 C ATOM 782 CG GLU A 54 2.434 6.080 -5.049 1.00 0.00 C ATOM 783 CD GLU A 54 3.490 6.508 -6.049 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.286 7.412 -5.721 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.520 5.938 -7.160 1.00 0.00 O ATOM 0 H GLU A 54 0.989 7.128 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 54 1.490 4.530 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.483 6.796 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.772 5.107 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.971 5.154 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.648 6.834 -5.011 1.00 0.00 H new ATOM 792 N GLY A 55 2.948 4.024 -0.948 1.00 0.00 N ATOM 793 CA GLY A 55 3.581 3.721 0.322 1.00 0.00 C ATOM 794 C GLY A 55 3.639 2.232 0.601 1.00 0.00 C ATOM 795 O GLY A 55 3.412 1.417 -0.294 1.00 0.00 O ATOM 0 H GLY A 55 2.796 3.218 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.592 4.128 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.034 4.217 1.124 1.00 0.00 H new ATOM 799 N TRP A 56 3.944 1.876 1.844 1.00 0.00 N ATOM 800 CA TRP A 56 4.032 0.474 2.237 1.00 0.00 C ATOM 801 C TRP A 56 2.745 0.016 2.914 1.00 0.00 C ATOM 802 O TRP A 56 2.118 0.775 3.653 1.00 0.00 O ATOM 803 CB TRP A 56 5.221 0.261 3.176 1.00 0.00 C ATOM 804 CG TRP A 56 6.503 -0.027 2.456 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.822 -1.165 1.772 1.00 0.00 C ATOM 806 CD2 TRP A 56 7.639 0.839 2.349 1.00 0.00 C ATOM 807 NE1 TRP A 56 8.087 -1.060 1.247 1.00 0.00 N ATOM 808 CE2 TRP A 56 8.609 0.160 1.586 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.930 2.121 2.821 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.848 0.722 1.288 1.00 0.00 C ATOM 811 CZ3 TRP A 56 9.159 2.677 2.525 1.00 0.00 C ATOM 812 CH2 TRP A 56 10.106 1.979 1.763 1.00 0.00 C ATOM 0 H TRP A 56 4.134 2.538 2.596 1.00 0.00 H new ATOM 0 HA TRP A 56 4.178 -0.122 1.336 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.351 1.150 3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.998 -0.565 3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.175 -2.022 1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.561 -1.775 0.694 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.206 2.668 3.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.579 0.185 0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.395 3.667 2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 56 11.057 2.442 1.547 1.00 0.00 H new ATOM 823 N PHE A 57 2.357 -1.228 2.656 1.00 0.00 N ATOM 824 CA PHE A 57 1.143 -1.787 3.241 1.00 0.00 C ATOM 825 C PHE A 57 1.180 -3.312 3.218 1.00 0.00 C ATOM 826 O PHE A 57 1.755 -3.931 2.322 1.00 0.00 O ATOM 827 CB PHE A 57 -0.089 -1.284 2.486 1.00 0.00 C ATOM 828 CG PHE A 57 -0.318 -1.984 1.177 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.567 -1.817 0.124 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.417 -2.809 1.000 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.358 -2.459 -1.082 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.630 -3.454 -0.203 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.741 -3.280 -1.245 1.00 0.00 C ATOM 0 H PHE A 57 2.865 -1.869 2.046 1.00 0.00 H new ATOM 0 HA PHE A 57 1.085 -1.459 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.969 -1.413 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.018 -0.215 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.429 -1.178 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.115 -2.949 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.053 -2.319 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.491 -4.094 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.904 -3.785 -2.186 1.00 0.00 H new ATOM 843 N PRO A 58 0.553 -3.934 4.227 1.00 0.00 N ATOM 844 CA PRO A 58 0.499 -5.394 4.346 1.00 0.00 C ATOM 845 C PRO A 58 -0.381 -6.031 3.276 1.00 0.00 C ATOM 846 O PRO A 58 -1.432 -5.496 2.924 1.00 0.00 O ATOM 847 CB PRO A 58 -0.104 -5.614 5.736 1.00 0.00 C ATOM 848 CG PRO A 58 -0.893 -4.380 6.007 1.00 0.00 C ATOM 849 CD PRO A 58 -0.154 -3.259 5.329 1.00 0.00 C ATOM 0 HA PRO A 58 1.480 -5.850 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.737 -6.501 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.673 -5.759 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.907 -4.471 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.979 -4.199 7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.836 -2.493 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.540 -2.766 6.009 1.00 0.00 H new ATOM 857 N ALA A 59 0.055 -7.177 2.763 1.00 0.00 N ATOM 858 CA ALA A 59 -0.695 -7.888 1.735 1.00 0.00 C ATOM 859 C ALA A 59 -1.885 -8.627 2.336 1.00 0.00 C ATOM 860 O ALA A 59 -2.921 -8.785 1.690 1.00 0.00 O ATOM 861 CB ALA A 59 0.213 -8.859 0.995 1.00 0.00 C ATOM 0 H ALA A 59 0.924 -7.633 3.043 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.077 -7.154 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.361 -9.383 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.028 -8.309 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.624 -9.582 1.700 1.00 0.00 H new ATOM 867 N SER A 60 -1.730 -9.079 3.577 1.00 0.00 N ATOM 868 CA SER A 60 -2.791 -9.806 4.264 1.00 0.00 C ATOM 869 C SER A 60 -4.020 -8.923 4.454 1.00 0.00 C ATOM 870 O SER A 60 -5.130 -9.418 4.650 1.00 0.00 O ATOM 871 CB SER A 60 -2.296 -10.311 5.621 1.00 0.00 C ATOM 872 OG SER A 60 -3.179 -11.282 6.156 1.00 0.00 O ATOM 0 H SER A 60 -0.880 -8.954 4.127 1.00 0.00 H new ATOM 0 HA SER A 60 -3.071 -10.660 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.300 -10.741 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.207 -9.474 6.314 1.00 0.00 H new ATOM 0 HG SER A 60 -2.840 -11.590 7.022 1.00 0.00 H new ATOM 878 N PHE A 61 -3.813 -7.612 4.396 1.00 0.00 N ATOM 879 CA PHE A 61 -4.903 -6.657 4.563 1.00 0.00 C ATOM 880 C PHE A 61 -5.724 -6.540 3.282 1.00 0.00 C ATOM 881 O PHE A 61 -6.868 -6.086 3.304 1.00 0.00 O ATOM 882 CB PHE A 61 -4.352 -5.285 4.956 1.00 0.00 C ATOM 883 CG PHE A 61 -4.139 -5.125 6.434 1.00 0.00 C ATOM 884 CD1 PHE A 61 -3.258 -5.952 7.114 1.00 0.00 C ATOM 885 CD2 PHE A 61 -4.819 -4.149 7.144 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.061 -5.808 8.474 1.00 0.00 C ATOM 887 CE2 PHE A 61 -4.625 -4.000 8.504 1.00 0.00 C ATOM 888 CZ PHE A 61 -3.745 -4.830 9.170 1.00 0.00 C ATOM 0 H PHE A 61 -2.900 -7.186 4.235 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.553 -7.021 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.405 -5.121 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.040 -4.514 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.720 -6.717 6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.509 -3.497 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.373 -6.459 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.161 -3.235 9.046 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.592 -4.715 10.233 1.00 0.00 H new ATOM 898 N VAL A 62 -5.132 -6.953 2.166 1.00 0.00 N ATOM 899 CA VAL A 62 -5.807 -6.895 0.875 1.00 0.00 C ATOM 900 C VAL A 62 -5.882 -8.276 0.233 1.00 0.00 C ATOM 901 O VAL A 62 -5.040 -9.137 0.487 1.00 0.00 O ATOM 902 CB VAL A 62 -5.093 -5.930 -0.089 1.00 0.00 C ATOM 903 CG1 VAL A 62 -4.961 -4.550 0.537 1.00 0.00 C ATOM 904 CG2 VAL A 62 -3.730 -6.480 -0.480 1.00 0.00 C ATOM 0 H VAL A 62 -4.186 -7.332 2.130 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.816 -6.528 1.061 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.694 -5.836 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.454 -3.882 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.952 -4.156 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.382 -4.622 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.239 -5.785 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.118 -6.605 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.854 -7.444 -0.972 1.00 0.00 H new ATOM 914 N ARG A 63 -6.896 -8.479 -0.602 1.00 0.00 N ATOM 915 CA ARG A 63 -7.082 -9.755 -1.281 1.00 0.00 C ATOM 916 C ARG A 63 -7.119 -9.565 -2.795 1.00 0.00 C ATOM 917 O ARG A 63 -7.778 -8.656 -3.301 1.00 0.00 O ATOM 918 CB ARG A 63 -8.374 -10.425 -0.809 1.00 0.00 C ATOM 919 CG ARG A 63 -9.631 -9.808 -1.399 1.00 0.00 C ATOM 920 CD ARG A 63 -10.860 -10.653 -1.101 1.00 0.00 C ATOM 921 NE ARG A 63 -11.972 -10.335 -1.991 1.00 0.00 N ATOM 922 CZ ARG A 63 -13.163 -10.919 -1.918 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.394 -11.847 -0.999 1.00 0.00 N ATOM 924 NH2 ARG A 63 -14.126 -10.575 -2.764 1.00 0.00 N ATOM 0 H ARG A 63 -7.601 -7.776 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.236 -10.396 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.341 -11.483 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.427 -10.367 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.770 -8.806 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.514 -9.702 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.607 -11.709 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.167 -10.495 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.827 -9.625 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.657 -12.113 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.309 -12.294 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.952 -9.861 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.040 -11.024 -2.707 1.00 0.00 H new ATOM 938 N LEU A 64 -6.407 -10.428 -3.512 1.00 0.00 N ATOM 939 CA LEU A 64 -6.358 -10.355 -4.968 1.00 0.00 C ATOM 940 C LEU A 64 -7.762 -10.396 -5.563 1.00 0.00 C ATOM 941 O LEU A 64 -8.740 -10.635 -4.855 1.00 0.00 O ATOM 942 CB LEU A 64 -5.521 -11.507 -5.528 1.00 0.00 C ATOM 943 CG LEU A 64 -4.005 -11.363 -5.392 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.586 -11.483 -3.935 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.292 -12.404 -6.241 1.00 0.00 C ATOM 0 H LEU A 64 -5.856 -11.186 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.894 -9.408 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.825 -12.427 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.761 -11.624 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.720 -10.374 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.504 -11.378 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.069 -10.699 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.884 -12.458 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.214 -12.286 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.583 -13.402 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.567 -12.271 -7.287 1.00 0.00 H new ATOM 957 N TRP A 65 -7.853 -10.162 -6.867 1.00 0.00 N ATOM 958 CA TRP A 65 -9.137 -10.174 -7.558 1.00 0.00 C ATOM 959 C TRP A 65 -9.509 -11.587 -7.992 1.00 0.00 C ATOM 960 O TRP A 65 -10.666 -11.995 -7.888 1.00 0.00 O ATOM 961 CB TRP A 65 -9.094 -9.248 -8.775 1.00 0.00 C ATOM 962 CG TRP A 65 -9.449 -7.828 -8.455 1.00 0.00 C ATOM 963 CD1 TRP A 65 -9.285 -7.193 -7.257 1.00 0.00 C ATOM 964 CD2 TRP A 65 -10.029 -6.868 -9.344 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.729 -5.896 -7.348 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.189 -5.671 -8.619 1.00 0.00 C ATOM 967 CE3 TRP A 65 -10.426 -6.902 -10.684 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.731 -4.522 -9.189 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.964 -5.761 -11.248 1.00 0.00 C ATOM 970 CH2 TRP A 65 -11.112 -4.584 -10.502 1.00 0.00 C ATOM 0 H TRP A 65 -7.053 -9.962 -7.467 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.897 -9.815 -6.864 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.094 -9.276 -9.208 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.781 -9.624 -9.533 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.868 -7.644 -6.369 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.718 -5.211 -6.592 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -10.314 -7.804 -11.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.847 -3.614 -8.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -11.276 -5.777 -12.282 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.535 -3.709 -10.972 1.00 0.00 H new