USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=5 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 Set 1.1: A 36 LYS NZ :NH3+ -171:sc= 0.0814 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.0784 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00554 X(o=-0.0055,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0427 (180deg=-0.31) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.439 -8.606 -13.651 1.00 0.00 N ATOM 90 CA ILE A 10 0.075 -7.617 -12.644 1.00 0.00 C ATOM 91 C ILE A 10 -1.014 -8.149 -11.719 1.00 0.00 C ATOM 92 O ILE A 10 -2.028 -8.678 -12.176 1.00 0.00 O ATOM 93 CB ILE A 10 -0.411 -6.307 -13.291 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.682 -5.718 -14.184 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.823 -5.308 -12.220 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.620 -6.203 -15.616 1.00 0.00 C ATOM 0 HA ILE A 10 0.974 -7.413 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.281 -6.526 -13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.602 -4.631 -14.173 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.656 -5.970 -13.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.164 -4.387 -12.693 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.631 -5.729 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.030 -5.091 -11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.425 -5.744 -16.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.731 -7.287 -15.638 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.340 -5.927 -16.052 1.00 0.00 H new ATOM 108 N VAL A 11 -0.799 -8.004 -10.415 1.00 0.00 N ATOM 109 CA VAL A 11 -1.764 -8.467 -9.425 1.00 0.00 C ATOM 110 C VAL A 11 -2.486 -7.294 -8.771 1.00 0.00 C ATOM 111 O VAL A 11 -1.856 -6.392 -8.221 1.00 0.00 O ATOM 112 CB VAL A 11 -1.084 -9.311 -8.331 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.124 -9.926 -7.407 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.210 -10.388 -8.955 1.00 0.00 C ATOM 0 H VAL A 11 0.035 -7.570 -10.020 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.488 -9.086 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.446 -8.657 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.625 -10.519 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.703 -9.134 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.790 -10.567 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.263 -10.975 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.824 -11.041 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.559 -9.921 -9.571 1.00 0.00 H new ATOM 124 N SER A 12 -3.814 -7.315 -8.835 1.00 0.00 N ATOM 125 CA SER A 12 -4.624 -6.251 -8.252 1.00 0.00 C ATOM 126 C SER A 12 -5.397 -6.760 -7.039 1.00 0.00 C ATOM 127 O SER A 12 -5.896 -7.885 -7.035 1.00 0.00 O ATOM 128 CB SER A 12 -5.595 -5.692 -9.293 1.00 0.00 C ATOM 129 OG SER A 12 -4.904 -5.240 -10.445 1.00 0.00 O ATOM 0 H SER A 12 -4.351 -8.056 -9.284 1.00 0.00 H new ATOM 0 HA SER A 12 -3.955 -5.455 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.313 -6.462 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.163 -4.869 -8.860 1.00 0.00 H new ATOM 0 HG SER A 12 -5.547 -4.889 -11.096 1.00 0.00 H new ATOM 135 N ALA A 13 -5.493 -5.922 -6.012 1.00 0.00 N ATOM 136 CA ALA A 13 -6.207 -6.285 -4.794 1.00 0.00 C ATOM 137 C ALA A 13 -7.178 -5.185 -4.379 1.00 0.00 C ATOM 138 O ALA A 13 -7.152 -4.083 -4.926 1.00 0.00 O ATOM 139 CB ALA A 13 -5.222 -6.574 -3.671 1.00 0.00 C ATOM 0 H ALA A 13 -5.085 -4.987 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.785 -7.187 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.769 -6.844 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.571 -7.399 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.619 -5.687 -3.479 1.00 0.00 H new ATOM 145 N GLU A 14 -8.033 -5.492 -3.408 1.00 0.00 N ATOM 146 CA GLU A 14 -9.013 -4.528 -2.921 1.00 0.00 C ATOM 147 C GLU A 14 -9.015 -4.477 -1.396 1.00 0.00 C ATOM 148 O GLU A 14 -9.058 -5.511 -0.730 1.00 0.00 O ATOM 149 CB GLU A 14 -10.410 -4.885 -3.433 1.00 0.00 C ATOM 150 CG GLU A 14 -11.508 -3.996 -2.875 1.00 0.00 C ATOM 151 CD GLU A 14 -12.873 -4.655 -2.921 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.409 -4.836 -4.034 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.405 -4.992 -1.842 1.00 0.00 O ATOM 0 H GLU A 14 -8.067 -6.400 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.736 -3.544 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.417 -4.818 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.628 -5.922 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.270 -3.735 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.539 -3.065 -3.441 1.00 0.00 H new ATOM 160 N ALA A 15 -8.967 -3.267 -0.850 1.00 0.00 N ATOM 161 CA ALA A 15 -8.965 -3.080 0.595 1.00 0.00 C ATOM 162 C ALA A 15 -10.211 -3.689 1.229 1.00 0.00 C ATOM 163 O ALA A 15 -11.315 -3.162 1.085 1.00 0.00 O ATOM 164 CB ALA A 15 -8.867 -1.601 0.937 1.00 0.00 C ATOM 0 H ALA A 15 -8.929 -2.401 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.094 -3.594 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.867 -1.477 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.944 -1.193 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.720 -1.072 0.512 1.00 0.00 H new ATOM 170 N VAL A 16 -10.028 -4.803 1.932 1.00 0.00 N ATOM 171 CA VAL A 16 -11.138 -5.484 2.588 1.00 0.00 C ATOM 172 C VAL A 16 -11.723 -4.629 3.707 1.00 0.00 C ATOM 173 O VAL A 16 -12.938 -4.581 3.894 1.00 0.00 O ATOM 174 CB VAL A 16 -10.699 -6.840 3.170 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.873 -7.807 3.216 1.00 0.00 C ATOM 176 CG2 VAL A 16 -9.551 -7.421 2.358 1.00 0.00 C ATOM 0 H VAL A 16 -9.122 -5.253 2.062 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.900 -5.653 1.827 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.349 -6.682 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.543 -8.760 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.662 -7.392 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.256 -7.963 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.253 -8.379 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.872 -7.566 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.705 -6.735 2.382 1.00 0.00 H new ATOM 186 N TRP A 17 -10.849 -3.955 4.447 1.00 0.00 N ATOM 187 CA TRP A 17 -11.279 -3.101 5.548 1.00 0.00 C ATOM 188 C TRP A 17 -10.459 -1.816 5.592 1.00 0.00 C ATOM 189 O TRP A 17 -9.419 -1.710 4.942 1.00 0.00 O ATOM 190 CB TRP A 17 -11.155 -3.846 6.878 1.00 0.00 C ATOM 191 CG TRP A 17 -12.026 -5.063 6.960 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.672 -6.346 6.653 1.00 0.00 C ATOM 193 CD2 TRP A 17 -13.395 -5.111 7.376 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.739 -7.188 6.852 1.00 0.00 N ATOM 195 CE2 TRP A 17 -13.808 -6.455 7.296 1.00 0.00 C ATOM 196 CE3 TRP A 17 -14.312 -4.149 7.809 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -15.097 -6.859 7.633 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -15.591 -4.551 8.142 1.00 0.00 C ATOM 199 CH2 TRP A 17 -15.974 -5.896 8.054 1.00 0.00 C ATOM 0 H TRP A 17 -9.839 -3.984 4.304 1.00 0.00 H new ATOM 0 HA TRP A 17 -12.324 -2.838 5.384 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -10.116 -4.141 7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.413 -3.168 7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -10.697 -6.653 6.305 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.736 -8.196 6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -14.026 -3.110 7.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -15.394 -7.895 7.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -16.308 -3.816 8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -16.981 -6.178 8.324 1.00 0.00 H new ATOM 210 N ASP A 18 -10.933 -0.843 6.363 1.00 0.00 N ATOM 211 CA ASP A 18 -10.243 0.435 6.493 1.00 0.00 C ATOM 212 C ASP A 18 -8.948 0.274 7.283 1.00 0.00 C ATOM 213 O ASP A 18 -8.963 -0.147 8.441 1.00 0.00 O ATOM 214 CB ASP A 18 -11.148 1.461 7.175 1.00 0.00 C ATOM 215 CG ASP A 18 -11.759 0.932 8.458 1.00 0.00 C ATOM 216 OD1 ASP A 18 -11.079 0.983 9.504 1.00 0.00 O ATOM 217 OD2 ASP A 18 -12.917 0.468 8.416 1.00 0.00 O ATOM 0 H ASP A 18 -11.793 -0.915 6.907 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.996 0.790 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.572 2.360 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.944 1.751 6.490 1.00 0.00 H new ATOM 222 N HIS A 19 -7.828 0.612 6.651 1.00 0.00 N ATOM 223 CA HIS A 19 -6.524 0.505 7.296 1.00 0.00 C ATOM 224 C HIS A 19 -5.979 1.885 7.651 1.00 0.00 C ATOM 225 O HIS A 19 -5.028 2.365 7.035 1.00 0.00 O ATOM 226 CB HIS A 19 -5.539 -0.226 6.383 1.00 0.00 C ATOM 227 CG HIS A 19 -4.175 -0.385 6.980 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.031 0.105 6.385 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.774 -0.983 8.126 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.986 -0.186 7.139 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.410 -0.846 8.202 1.00 0.00 N ATOM 0 H HIS A 19 -7.797 0.962 5.693 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.647 -0.066 8.217 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.940 -1.211 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.454 0.319 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.409 -1.476 8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.960 0.072 6.923 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.820 -1.197 8.956 1.00 0.00 H new ATOM 240 N VAL A 20 -6.589 2.518 8.648 1.00 0.00 N ATOM 241 CA VAL A 20 -6.165 3.843 9.086 1.00 0.00 C ATOM 242 C VAL A 20 -4.798 3.787 9.760 1.00 0.00 C ATOM 243 O VAL A 20 -4.454 2.801 10.412 1.00 0.00 O ATOM 244 CB VAL A 20 -7.182 4.464 10.062 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.507 4.718 9.361 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.374 3.565 11.274 1.00 0.00 C ATOM 0 H VAL A 20 -7.379 2.135 9.168 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.102 4.467 8.194 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.791 5.421 10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.213 5.157 10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.352 5.404 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.907 3.776 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.096 4.019 11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.743 2.592 10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.421 3.439 11.788 1.00 0.00 H new ATOM 256 N THR A 21 -4.021 4.854 9.599 1.00 0.00 N ATOM 257 CA THR A 21 -2.692 4.927 10.191 1.00 0.00 C ATOM 258 C THR A 21 -2.268 6.374 10.414 1.00 0.00 C ATOM 259 O THR A 21 -2.798 7.290 9.785 1.00 0.00 O ATOM 260 CB THR A 21 -1.643 4.228 9.305 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.351 4.309 9.918 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.594 4.860 7.922 1.00 0.00 C ATOM 0 H THR A 21 -4.290 5.679 9.063 1.00 0.00 H new ATOM 0 HA THR A 21 -2.746 4.415 11.152 1.00 0.00 H new ATOM 0 HB THR A 21 -1.929 3.182 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.276 3.730 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.846 4.350 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.571 4.770 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.330 5.914 8.013 1.00 0.00 H new ATOM 270 N MET A 22 -1.309 6.574 11.312 1.00 0.00 N ATOM 271 CA MET A 22 -0.813 7.911 11.615 1.00 0.00 C ATOM 272 C MET A 22 0.367 8.270 10.718 1.00 0.00 C ATOM 273 O MET A 22 0.490 9.407 10.263 1.00 0.00 O ATOM 274 CB MET A 22 -0.398 8.003 13.085 1.00 0.00 C ATOM 275 CG MET A 22 0.646 6.974 13.487 1.00 0.00 C ATOM 276 SD MET A 22 1.166 7.146 15.205 1.00 0.00 S ATOM 277 CE MET A 22 0.367 5.723 15.944 1.00 0.00 C ATOM 0 H MET A 22 -0.860 5.827 11.842 1.00 0.00 H new ATOM 0 HA MET A 22 -1.618 8.621 11.427 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.007 9.001 13.282 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.281 7.877 13.712 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.243 5.973 13.332 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.515 7.071 12.837 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.594 5.691 17.010 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.712 5.798 15.805 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.731 4.813 15.467 1.00 0.00 H new ATOM 287 N ALA A 23 1.233 7.294 10.468 1.00 0.00 N ATOM 288 CA ALA A 23 2.402 7.507 9.624 1.00 0.00 C ATOM 289 C ALA A 23 2.024 8.225 8.333 1.00 0.00 C ATOM 290 O ALA A 23 0.846 8.450 8.060 1.00 0.00 O ATOM 291 CB ALA A 23 3.078 6.179 9.313 1.00 0.00 C ATOM 0 H ALA A 23 1.147 6.347 10.838 1.00 0.00 H new ATOM 0 HA ALA A 23 3.102 8.140 10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.949 6.353 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.392 5.704 10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.377 5.527 8.792 1.00 0.00 H new ATOM 297 N ASN A 24 3.031 8.583 7.543 1.00 0.00 N ATOM 298 CA ASN A 24 2.803 9.277 6.281 1.00 0.00 C ATOM 299 C ASN A 24 3.277 8.433 5.102 1.00 0.00 C ATOM 300 O ASN A 24 2.497 8.100 4.210 1.00 0.00 O ATOM 301 CB ASN A 24 3.525 10.626 6.280 1.00 0.00 C ATOM 302 CG ASN A 24 3.054 11.535 7.398 1.00 0.00 C ATOM 303 OD1 ASN A 24 2.140 12.339 7.217 1.00 0.00 O ATOM 304 ND2 ASN A 24 3.678 11.411 8.564 1.00 0.00 N ATOM 0 H ASN A 24 4.013 8.404 7.755 1.00 0.00 H new ATOM 0 HA ASN A 24 1.731 9.445 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.598 10.461 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.364 11.120 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.404 11.996 9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.431 10.731 8.670 1.00 0.00 H new ATOM 311 N ARG A 25 4.561 8.089 5.107 1.00 0.00 N ATOM 312 CA ARG A 25 5.140 7.283 4.038 1.00 0.00 C ATOM 313 C ARG A 25 4.267 6.068 3.739 1.00 0.00 C ATOM 314 O ARG A 25 4.289 5.534 2.631 1.00 0.00 O ATOM 315 CB ARG A 25 6.551 6.831 4.418 1.00 0.00 C ATOM 316 CG ARG A 25 6.608 6.045 5.718 1.00 0.00 C ATOM 317 CD ARG A 25 7.996 5.473 5.962 1.00 0.00 C ATOM 318 NE ARG A 25 9.016 6.517 6.015 1.00 0.00 N ATOM 319 CZ ARG A 25 10.309 6.273 6.201 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.736 5.028 6.352 1.00 0.00 N ATOM 321 NH2 ARG A 25 11.176 7.277 6.237 1.00 0.00 N ATOM 0 H ARG A 25 5.220 8.356 5.839 1.00 0.00 H new ATOM 0 HA ARG A 25 5.193 7.899 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.956 6.217 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.193 7.707 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.329 6.693 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.880 5.235 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.999 4.915 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.241 4.766 5.169 1.00 0.00 H new ATOM 0 HE ARG A 25 8.720 7.487 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.072 4.254 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.729 4.843 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.850 8.237 6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.168 7.089 6.380 1.00 0.00 H new ATOM 335 N GLU A 26 3.501 5.636 4.737 1.00 0.00 N ATOM 336 CA GLU A 26 2.622 4.483 4.580 1.00 0.00 C ATOM 337 C GLU A 26 1.477 4.798 3.623 1.00 0.00 C ATOM 338 O GLU A 26 1.228 5.959 3.294 1.00 0.00 O ATOM 339 CB GLU A 26 2.063 4.052 5.938 1.00 0.00 C ATOM 340 CG GLU A 26 1.429 5.188 6.723 1.00 0.00 C ATOM 341 CD GLU A 26 0.448 5.994 5.894 1.00 0.00 C ATOM 342 OE1 GLU A 26 -0.438 5.382 5.262 1.00 0.00 O ATOM 343 OE2 GLU A 26 0.567 7.237 5.878 1.00 0.00 O ATOM 0 H GLU A 26 3.472 6.067 5.661 1.00 0.00 H new ATOM 0 HA GLU A 26 3.208 3.666 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.320 3.269 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.867 3.616 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.914 4.780 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.212 5.848 7.096 1.00 0.00 H new ATOM 350 N LEU A 27 0.783 3.756 3.178 1.00 0.00 N ATOM 351 CA LEU A 27 -0.337 3.920 2.257 1.00 0.00 C ATOM 352 C LEU A 27 -1.668 3.839 2.998 1.00 0.00 C ATOM 353 O LEU A 27 -2.104 2.759 3.394 1.00 0.00 O ATOM 354 CB LEU A 27 -0.284 2.852 1.163 1.00 0.00 C ATOM 355 CG LEU A 27 -1.185 3.088 -0.050 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.714 4.302 -0.836 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.216 1.854 -0.939 1.00 0.00 C ATOM 0 H LEU A 27 0.976 2.789 3.440 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.257 4.906 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.745 2.768 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.550 1.893 1.607 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.197 3.281 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.367 4.455 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.744 5.184 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.307 4.139 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.862 2.040 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.207 1.630 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.601 1.007 -0.372 1.00 0.00 H new ATOM 369 N ALA A 28 -2.309 4.989 3.180 1.00 0.00 N ATOM 370 CA ALA A 28 -3.592 5.047 3.870 1.00 0.00 C ATOM 371 C ALA A 28 -4.749 4.882 2.891 1.00 0.00 C ATOM 372 O ALA A 28 -4.697 5.375 1.764 1.00 0.00 O ATOM 373 CB ALA A 28 -3.724 6.359 4.629 1.00 0.00 C ATOM 0 H ALA A 28 -1.961 5.893 2.859 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.632 4.222 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.687 6.389 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.922 6.437 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.658 7.192 3.929 1.00 0.00 H new ATOM 379 N PHE A 29 -5.792 4.184 3.328 1.00 0.00 N ATOM 380 CA PHE A 29 -6.962 3.952 2.489 1.00 0.00 C ATOM 381 C PHE A 29 -8.128 3.418 3.316 1.00 0.00 C ATOM 382 O PHE A 29 -8.017 3.251 4.531 1.00 0.00 O ATOM 383 CB PHE A 29 -6.625 2.968 1.367 1.00 0.00 C ATOM 384 CG PHE A 29 -6.003 1.692 1.856 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.770 0.736 2.504 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.653 1.447 1.668 1.00 0.00 C ATOM 387 CE1 PHE A 29 -6.200 -0.439 2.956 1.00 0.00 C ATOM 388 CE2 PHE A 29 -4.077 0.273 2.118 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.852 -0.671 2.762 1.00 0.00 C ATOM 0 H PHE A 29 -5.851 3.769 4.258 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.257 4.905 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.536 2.731 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.944 3.449 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.825 0.911 2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.043 2.182 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.808 -1.175 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.023 0.095 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.405 -1.589 3.113 1.00 0.00 H new ATOM 399 N LYS A 30 -9.246 3.152 2.649 1.00 0.00 N ATOM 400 CA LYS A 30 -10.433 2.635 3.320 1.00 0.00 C ATOM 401 C LYS A 30 -10.928 1.360 2.645 1.00 0.00 C ATOM 402 O LYS A 30 -10.406 0.953 1.608 1.00 0.00 O ATOM 403 CB LYS A 30 -11.543 3.689 3.321 1.00 0.00 C ATOM 404 CG LYS A 30 -11.812 4.289 1.952 1.00 0.00 C ATOM 405 CD LYS A 30 -12.310 5.721 2.059 1.00 0.00 C ATOM 406 CE LYS A 30 -13.827 5.777 2.155 1.00 0.00 C ATOM 407 NZ LYS A 30 -14.479 5.369 0.880 1.00 0.00 N ATOM 0 H LYS A 30 -9.355 3.286 1.644 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.164 2.399 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.461 3.238 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.274 4.488 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.899 4.264 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.551 3.684 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.871 6.196 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.978 6.289 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.164 5.124 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.137 6.789 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.436 5.773 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.918 5.717 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.539 4.332 0.837 1.00 0.00 H new ATOM 421 N ALA A 31 -11.940 0.736 3.240 1.00 0.00 N ATOM 422 CA ALA A 31 -12.507 -0.491 2.694 1.00 0.00 C ATOM 423 C ALA A 31 -13.163 -0.237 1.340 1.00 0.00 C ATOM 424 O ALA A 31 -14.265 0.303 1.265 1.00 0.00 O ATOM 425 CB ALA A 31 -13.514 -1.085 3.667 1.00 0.00 C ATOM 0 H ALA A 31 -12.383 1.060 4.100 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.696 -1.204 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.930 -2.001 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.018 -1.311 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.317 -0.369 3.842 1.00 0.00 H new ATOM 431 N GLY A 32 -12.475 -0.630 0.272 1.00 0.00 N ATOM 432 CA GLY A 32 -13.007 -0.436 -1.065 1.00 0.00 C ATOM 433 C GLY A 32 -11.948 0.024 -2.048 1.00 0.00 C ATOM 434 O GLY A 32 -11.944 -0.394 -3.206 1.00 0.00 O ATOM 0 H GLY A 32 -11.560 -1.079 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.445 -1.370 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.810 0.300 -1.030 1.00 0.00 H new ATOM 438 N ASP A 33 -11.050 0.888 -1.587 1.00 0.00 N ATOM 439 CA ASP A 33 -9.982 1.405 -2.434 1.00 0.00 C ATOM 440 C ASP A 33 -9.383 0.296 -3.293 1.00 0.00 C ATOM 441 O ASP A 33 -9.594 -0.889 -3.030 1.00 0.00 O ATOM 442 CB ASP A 33 -8.891 2.051 -1.579 1.00 0.00 C ATOM 443 CG ASP A 33 -9.175 3.510 -1.283 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.357 3.910 -1.347 1.00 0.00 O ATOM 445 OD2 ASP A 33 -8.216 4.253 -0.986 1.00 0.00 O ATOM 0 H ASP A 33 -11.041 1.245 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.410 2.160 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.798 1.504 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.933 1.967 -2.093 1.00 0.00 H new ATOM 450 N VAL A 34 -8.637 0.687 -4.321 1.00 0.00 N ATOM 451 CA VAL A 34 -8.007 -0.274 -5.218 1.00 0.00 C ATOM 452 C VAL A 34 -6.500 -0.056 -5.288 1.00 0.00 C ATOM 453 O VAL A 34 -6.036 1.015 -5.681 1.00 0.00 O ATOM 454 CB VAL A 34 -8.594 -0.184 -6.639 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.903 -1.172 -7.566 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.096 -0.426 -6.611 1.00 0.00 C ATOM 0 H VAL A 34 -8.454 1.663 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.209 -1.265 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.418 0.821 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.331 -1.094 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.837 -0.946 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.045 -2.185 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.494 -0.359 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.297 -1.418 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.574 0.325 -5.982 1.00 0.00 H new ATOM 466 N ILE A 35 -5.741 -1.077 -4.904 1.00 0.00 N ATOM 467 CA ILE A 35 -4.286 -0.996 -4.925 1.00 0.00 C ATOM 468 C ILE A 35 -3.702 -1.882 -6.020 1.00 0.00 C ATOM 469 O ILE A 35 -4.124 -3.024 -6.201 1.00 0.00 O ATOM 470 CB ILE A 35 -3.680 -1.408 -3.570 1.00 0.00 C ATOM 471 CG1 ILE A 35 -3.998 -0.357 -2.504 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.177 -1.602 -3.699 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.317 -0.589 -1.801 1.00 0.00 C ATOM 0 H ILE A 35 -6.109 -1.969 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.031 0.044 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.123 -2.355 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.198 -0.348 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.012 0.628 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.763 -1.893 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.972 -2.383 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.716 -0.669 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.477 0.194 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.127 -0.568 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.300 -1.560 -1.306 1.00 0.00 H new ATOM 485 N LYS A 36 -2.727 -1.348 -6.749 1.00 0.00 N ATOM 486 CA LYS A 36 -2.082 -2.089 -7.825 1.00 0.00 C ATOM 487 C LYS A 36 -0.721 -2.617 -7.382 1.00 0.00 C ATOM 488 O LYS A 36 0.219 -1.847 -7.181 1.00 0.00 O ATOM 489 CB LYS A 36 -1.919 -1.199 -9.059 1.00 0.00 C ATOM 490 CG LYS A 36 -1.228 -1.891 -10.222 1.00 0.00 C ATOM 491 CD LYS A 36 -0.538 -0.892 -11.135 1.00 0.00 C ATOM 492 CE LYS A 36 -1.486 -0.368 -12.204 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.792 0.534 -13.166 1.00 0.00 N ATOM 0 H LYS A 36 -2.367 -0.404 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.716 -2.938 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.902 -0.858 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.348 -0.312 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.496 -2.602 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.960 -2.462 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.158 -0.059 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.322 -1.364 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.924 -1.207 -12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.307 0.169 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.494 0.989 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.268 1.263 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.129 -0.020 -13.745 1.00 0.00 H new ATOM 507 N VAL A 37 -0.621 -3.934 -7.233 1.00 0.00 N ATOM 508 CA VAL A 37 0.626 -4.564 -6.817 1.00 0.00 C ATOM 509 C VAL A 37 1.678 -4.479 -7.916 1.00 0.00 C ATOM 510 O VAL A 37 1.445 -4.903 -9.049 1.00 0.00 O ATOM 511 CB VAL A 37 0.409 -6.042 -6.441 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.674 -6.629 -5.832 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.767 -6.183 -5.487 1.00 0.00 C ATOM 0 H VAL A 37 -1.389 -4.585 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 37 0.978 -4.021 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 37 0.178 -6.599 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.502 -7.674 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.489 -6.564 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.938 -6.071 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.905 -7.234 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.570 -5.613 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.670 -5.804 -5.965 1.00 0.00 H new ATOM 523 N LEU A 38 2.838 -3.929 -7.575 1.00 0.00 N ATOM 524 CA LEU A 38 3.929 -3.788 -8.534 1.00 0.00 C ATOM 525 C LEU A 38 4.989 -4.863 -8.314 1.00 0.00 C ATOM 526 O LEU A 38 5.315 -5.623 -9.227 1.00 0.00 O ATOM 527 CB LEU A 38 4.562 -2.401 -8.416 1.00 0.00 C ATOM 528 CG LEU A 38 3.592 -1.234 -8.229 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.331 0.093 -8.305 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.483 -1.290 -9.270 1.00 0.00 C ATOM 0 H LEU A 38 3.048 -3.573 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 38 3.517 -3.909 -9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.254 -2.410 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.153 -2.216 -9.313 1.00 0.00 H new ATOM 0 HG LEU A 38 3.140 -1.318 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.624 0.911 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.087 0.134 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.812 0.186 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.802 -0.452 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.918 -1.232 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.934 -2.226 -9.167 1.00 0.00 H new ATOM 542 N ASP A 39 5.521 -4.923 -7.098 1.00 0.00 N ATOM 543 CA ASP A 39 6.541 -5.907 -6.758 1.00 0.00 C ATOM 544 C ASP A 39 6.107 -6.748 -5.561 1.00 0.00 C ATOM 545 O ASP A 39 5.887 -6.224 -4.469 1.00 0.00 O ATOM 546 CB ASP A 39 7.869 -5.212 -6.454 1.00 0.00 C ATOM 547 CG ASP A 39 8.694 -4.968 -7.702 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.758 -5.876 -8.557 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.277 -3.870 -7.823 1.00 0.00 O ATOM 0 H ASP A 39 5.262 -4.302 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 39 6.673 -6.568 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.673 -4.260 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.443 -5.821 -5.756 1.00 0.00 H new ATOM 554 N ALA A 40 5.985 -8.054 -5.775 1.00 0.00 N ATOM 555 CA ALA A 40 5.578 -8.967 -4.714 1.00 0.00 C ATOM 556 C ALA A 40 6.687 -9.963 -4.391 1.00 0.00 C ATOM 557 O ALA A 40 6.498 -11.174 -4.502 1.00 0.00 O ATOM 558 CB ALA A 40 4.305 -9.701 -5.109 1.00 0.00 C ATOM 0 H ALA A 40 6.162 -8.503 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 40 5.382 -8.379 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.013 -10.379 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.507 -8.979 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.482 -10.272 -6.021 1.00 0.00 H new ATOM 611 N ASP A 44 4.232 -11.511 2.667 1.00 0.00 N ATOM 612 CA ASP A 44 3.012 -10.728 2.825 1.00 0.00 C ATOM 613 C ASP A 44 3.322 -9.235 2.841 1.00 0.00 C ATOM 614 O ASP A 44 2.722 -8.474 3.601 1.00 0.00 O ATOM 615 CB ASP A 44 2.289 -11.125 4.113 1.00 0.00 C ATOM 616 CG ASP A 44 1.871 -12.583 4.117 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.764 -13.455 4.093 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.652 -12.851 4.143 1.00 0.00 O ATOM 0 HA ASP A 44 2.364 -10.937 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.941 -10.935 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.407 -10.497 4.240 1.00 0.00 H new ATOM 623 N TRP A 45 4.263 -8.822 1.999 1.00 0.00 N ATOM 624 CA TRP A 45 4.653 -7.419 1.918 1.00 0.00 C ATOM 625 C TRP A 45 4.910 -7.009 0.472 1.00 0.00 C ATOM 626 O TRP A 45 5.929 -7.373 -0.114 1.00 0.00 O ATOM 627 CB TRP A 45 5.904 -7.167 2.762 1.00 0.00 C ATOM 628 CG TRP A 45 5.597 -6.795 4.181 1.00 0.00 C ATOM 629 CD1 TRP A 45 6.084 -7.394 5.309 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.734 -5.743 4.624 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.574 -6.776 6.425 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.744 -5.760 6.032 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.954 -4.786 3.968 1.00 0.00 C ATOM 634 CZ2 TRP A 45 4.005 -4.858 6.793 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.221 -3.892 4.724 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.251 -3.932 6.125 1.00 0.00 C ATOM 0 H TRP A 45 4.770 -9.438 1.363 1.00 0.00 H new ATOM 0 HA TRP A 45 3.833 -6.816 2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.525 -8.063 2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.489 -6.370 2.303 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.768 -8.229 5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.780 -7.032 7.390 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.925 -4.746 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.026 -4.888 7.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.614 -3.149 4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.668 -3.218 6.688 1.00 0.00 H new ATOM 647 N TRP A 46 3.980 -6.250 -0.096 1.00 0.00 N ATOM 648 CA TRP A 46 4.107 -5.790 -1.475 1.00 0.00 C ATOM 649 C TRP A 46 3.883 -4.285 -1.569 1.00 0.00 C ATOM 650 O TRP A 46 3.236 -3.689 -0.708 1.00 0.00 O ATOM 651 CB TRP A 46 3.109 -6.524 -2.373 1.00 0.00 C ATOM 652 CG TRP A 46 3.029 -7.994 -2.094 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.072 -8.838 -1.839 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.843 -8.794 -2.045 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.606 -10.114 -1.634 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.241 -10.113 -1.754 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.482 -8.524 -2.216 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.328 -11.157 -1.633 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.423 -9.561 -2.096 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.002 -10.864 -1.806 1.00 0.00 C ATOM 0 H TRP A 46 3.130 -5.940 0.376 1.00 0.00 H new ATOM 0 HA TRP A 46 5.119 -6.010 -1.814 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.121 -6.082 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.390 -6.374 -3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.111 -8.545 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.182 -10.930 -1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.144 -7.523 -2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.654 -12.162 -1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.477 -9.364 -2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.731 -11.653 -1.717 1.00 0.00 H new ATOM 671 N TRP A 47 4.422 -3.676 -2.619 1.00 0.00 N ATOM 672 CA TRP A 47 4.280 -2.239 -2.825 1.00 0.00 C ATOM 673 C TRP A 47 2.958 -1.916 -3.513 1.00 0.00 C ATOM 674 O TRP A 47 2.646 -2.465 -4.569 1.00 0.00 O ATOM 675 CB TRP A 47 5.446 -1.705 -3.658 1.00 0.00 C ATOM 676 CG TRP A 47 5.309 -0.255 -4.011 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.689 0.266 -5.110 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.805 0.860 -3.261 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.770 1.638 -5.089 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.448 2.027 -3.965 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.513 0.986 -2.063 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.778 3.301 -3.509 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.839 2.251 -1.612 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.471 3.395 -2.333 1.00 0.00 C ATOM 0 H TRP A 47 4.961 -4.154 -3.341 1.00 0.00 H new ATOM 0 HA TRP A 47 4.288 -1.754 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.374 -1.851 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.525 -2.289 -4.575 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.206 -0.314 -5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.387 2.265 -5.796 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.800 0.111 -1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.497 4.184 -4.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.387 2.360 -0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.740 4.370 -1.953 1.00 0.00 H new ATOM 695 N GLY A 48 2.184 -1.021 -2.907 1.00 0.00 N ATOM 696 CA GLY A 48 0.904 -0.640 -3.477 1.00 0.00 C ATOM 697 C GLY A 48 0.990 0.632 -4.297 1.00 0.00 C ATOM 698 O GLY A 48 1.693 1.571 -3.924 1.00 0.00 O ATOM 0 H GLY A 48 2.420 -0.553 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.534 -1.450 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.179 -0.503 -2.675 1.00 0.00 H new ATOM 702 N GLN A 49 0.274 0.662 -5.416 1.00 0.00 N ATOM 703 CA GLN A 49 0.274 1.828 -6.291 1.00 0.00 C ATOM 704 C GLN A 49 -1.149 2.300 -6.570 1.00 0.00 C ATOM 705 O GLN A 49 -1.935 1.592 -7.200 1.00 0.00 O ATOM 706 CB GLN A 49 0.984 1.504 -7.607 1.00 0.00 C ATOM 707 CG GLN A 49 1.184 2.714 -8.505 1.00 0.00 C ATOM 708 CD GLN A 49 1.282 2.344 -9.971 1.00 0.00 C ATOM 709 OE1 GLN A 49 0.272 2.090 -10.628 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.503 2.309 -10.493 1.00 0.00 N ATOM 0 H GLN A 49 -0.313 -0.107 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 49 0.810 2.631 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.955 1.061 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.406 0.753 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.355 3.407 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.092 3.238 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.313 2.527 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.631 2.064 -11.475 1.00 0.00 H new ATOM 719 N ILE A 50 -1.472 3.499 -6.098 1.00 0.00 N ATOM 720 CA ILE A 50 -2.801 4.066 -6.298 1.00 0.00 C ATOM 721 C ILE A 50 -2.757 5.241 -7.269 1.00 0.00 C ATOM 722 O ILE A 50 -1.728 5.901 -7.415 1.00 0.00 O ATOM 723 CB ILE A 50 -3.418 4.536 -4.967 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.353 3.417 -3.926 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.856 4.986 -5.181 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.066 3.751 -2.634 1.00 0.00 C ATOM 0 H ILE A 50 -0.832 4.097 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.422 3.275 -6.718 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.843 5.385 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.790 2.512 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.308 3.195 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.279 5.315 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.877 5.811 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.443 4.155 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.979 2.913 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.615 4.637 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.119 3.944 -2.839 1.00 0.00 H new ATOM 738 N ASP A 51 -3.881 5.498 -7.928 1.00 0.00 N ATOM 739 CA ASP A 51 -3.973 6.596 -8.884 1.00 0.00 C ATOM 740 C ASP A 51 -3.115 7.776 -8.439 1.00 0.00 C ATOM 741 O ASP A 51 -2.167 8.161 -9.124 1.00 0.00 O ATOM 742 CB ASP A 51 -5.428 7.039 -9.045 1.00 0.00 C ATOM 743 CG ASP A 51 -5.715 7.588 -10.429 1.00 0.00 C ATOM 744 OD1 ASP A 51 -4.824 8.248 -11.003 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.832 7.357 -10.938 1.00 0.00 O ATOM 0 H ASP A 51 -4.741 4.961 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.601 6.241 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.086 6.193 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.658 7.801 -8.300 1.00 0.00 H new ATOM 750 N ASP A 52 -3.454 8.347 -7.288 1.00 0.00 N ATOM 751 CA ASP A 52 -2.715 9.484 -6.752 1.00 0.00 C ATOM 752 C ASP A 52 -1.812 9.051 -5.601 1.00 0.00 C ATOM 753 O ASP A 52 -0.677 9.512 -5.484 1.00 0.00 O ATOM 754 CB ASP A 52 -3.682 10.570 -6.277 1.00 0.00 C ATOM 755 CG ASP A 52 -4.524 11.130 -7.406 1.00 0.00 C ATOM 756 OD1 ASP A 52 -3.945 11.510 -8.445 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.762 11.189 -7.251 1.00 0.00 O ATOM 0 H ASP A 52 -4.236 8.041 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.090 9.888 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.337 10.158 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.116 11.379 -5.814 1.00 0.00 H new ATOM 762 N GLU A 53 -2.324 8.163 -4.755 1.00 0.00 N ATOM 763 CA GLU A 53 -1.564 7.670 -3.613 1.00 0.00 C ATOM 764 C GLU A 53 -0.551 6.615 -4.048 1.00 0.00 C ATOM 765 O GLU A 53 -0.758 5.912 -5.037 1.00 0.00 O ATOM 766 CB GLU A 53 -2.506 7.084 -2.560 1.00 0.00 C ATOM 767 CG GLU A 53 -3.119 8.128 -1.642 1.00 0.00 C ATOM 768 CD GLU A 53 -2.209 8.497 -0.487 1.00 0.00 C ATOM 769 OE1 GLU A 53 -1.609 7.579 0.111 1.00 0.00 O ATOM 770 OE2 GLU A 53 -2.095 9.702 -0.181 1.00 0.00 O ATOM 0 H GLU A 53 -3.262 7.770 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.023 8.511 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.306 6.540 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.958 6.360 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.348 9.024 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.063 7.751 -1.249 1.00 0.00 H new ATOM 777 N GLU A 54 0.545 6.513 -3.303 1.00 0.00 N ATOM 778 CA GLU A 54 1.591 5.545 -3.613 1.00 0.00 C ATOM 779 C GLU A 54 2.426 5.230 -2.375 1.00 0.00 C ATOM 780 O GLU A 54 2.855 6.132 -1.657 1.00 0.00 O ATOM 781 CB GLU A 54 2.494 6.077 -4.729 1.00 0.00 C ATOM 782 CG GLU A 54 2.018 5.710 -6.124 1.00 0.00 C ATOM 783 CD GLU A 54 2.951 6.211 -7.209 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.078 6.632 -6.876 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.554 6.180 -8.393 1.00 0.00 O ATOM 0 H GLU A 54 0.732 7.088 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 54 1.112 4.626 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.555 7.162 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.502 5.689 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.927 4.626 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.023 6.125 -6.285 1.00 0.00 H new ATOM 792 N GLY A 55 2.651 3.942 -2.132 1.00 0.00 N ATOM 793 CA GLY A 55 3.432 3.530 -0.980 1.00 0.00 C ATOM 794 C GLY A 55 3.308 2.047 -0.697 1.00 0.00 C ATOM 795 O GLY A 55 3.122 1.246 -1.613 1.00 0.00 O ATOM 0 H GLY A 55 2.307 3.177 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.480 3.778 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.107 4.092 -0.105 1.00 0.00 H new ATOM 799 N TRP A 56 3.413 1.678 0.575 1.00 0.00 N ATOM 800 CA TRP A 56 3.313 0.280 0.976 1.00 0.00 C ATOM 801 C TRP A 56 1.926 -0.032 1.526 1.00 0.00 C ATOM 802 O TRP A 56 1.280 0.825 2.130 1.00 0.00 O ATOM 803 CB TRP A 56 4.377 -0.048 2.026 1.00 0.00 C ATOM 804 CG TRP A 56 5.776 0.015 1.493 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.570 1.123 1.404 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.546 -1.075 0.975 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.787 0.787 0.861 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.798 -0.556 0.591 1.00 0.00 C ATOM 809 CE3 TRP A 56 6.301 -2.440 0.801 1.00 0.00 C ATOM 810 CZ2 TRP A 56 8.798 -1.354 0.042 1.00 0.00 C ATOM 811 CZ3 TRP A 56 7.294 -3.231 0.256 1.00 0.00 C ATOM 812 CH2 TRP A 56 8.530 -2.687 -0.118 1.00 0.00 C ATOM 0 H TRP A 56 3.567 2.328 1.346 1.00 0.00 H new ATOM 0 HA TRP A 56 3.480 -0.337 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.282 0.648 2.859 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.191 -1.046 2.422 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.284 2.117 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.557 1.433 0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.352 -2.869 1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.751 -0.936 -0.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.115 -4.287 0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 56 9.286 -3.332 -0.541 1.00 0.00 H new ATOM 823 N PHE A 57 1.472 -1.263 1.313 1.00 0.00 N ATOM 824 CA PHE A 57 0.160 -1.686 1.787 1.00 0.00 C ATOM 825 C PHE A 57 0.190 -3.142 2.243 1.00 0.00 C ATOM 826 O PHE A 57 0.923 -3.972 1.705 1.00 0.00 O ATOM 827 CB PHE A 57 -0.886 -1.507 0.685 1.00 0.00 C ATOM 828 CG PHE A 57 -0.924 -2.643 -0.297 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.120 -2.843 -1.185 1.00 0.00 C ATOM 830 CD2 PHE A 57 -2.004 -3.510 -0.331 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.088 -3.887 -2.090 1.00 0.00 C ATOM 832 CE2 PHE A 57 -2.042 -4.556 -1.234 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.994 -4.745 -2.113 1.00 0.00 C ATOM 0 H PHE A 57 1.994 -1.985 0.815 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.109 -1.062 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.869 -1.400 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.682 -0.580 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.969 -2.175 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.825 -3.367 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.908 -4.032 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.890 -5.224 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.020 -5.563 -2.818 1.00 0.00 H new ATOM 843 N PRO A 58 -0.625 -3.461 3.259 1.00 0.00 N ATOM 844 CA PRO A 58 -0.711 -4.816 3.810 1.00 0.00 C ATOM 845 C PRO A 58 -1.372 -5.794 2.845 1.00 0.00 C ATOM 846 O PRO A 58 -2.404 -5.489 2.248 1.00 0.00 O ATOM 847 CB PRO A 58 -1.572 -4.636 5.063 1.00 0.00 C ATOM 848 CG PRO A 58 -2.390 -3.421 4.789 1.00 0.00 C ATOM 849 CD PRO A 58 -1.526 -2.522 3.948 1.00 0.00 C ATOM 0 HA PRO A 58 0.274 -5.237 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.203 -5.507 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.955 -4.506 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.310 -3.680 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.679 -2.928 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.119 -1.942 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.972 -1.810 4.560 1.00 0.00 H new ATOM 857 N ALA A 59 -0.772 -6.970 2.698 1.00 0.00 N ATOM 858 CA ALA A 59 -1.305 -7.994 1.807 1.00 0.00 C ATOM 859 C ALA A 59 -2.382 -8.820 2.501 1.00 0.00 C ATOM 860 O ALA A 59 -3.032 -9.659 1.878 1.00 0.00 O ATOM 861 CB ALA A 59 -0.184 -8.895 1.309 1.00 0.00 C ATOM 0 H ALA A 59 0.084 -7.238 3.184 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.762 -7.495 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.596 -9.655 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.549 -8.298 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.299 -9.378 2.158 1.00 0.00 H new ATOM 867 N SER A 60 -2.565 -8.576 3.795 1.00 0.00 N ATOM 868 CA SER A 60 -3.561 -9.301 4.575 1.00 0.00 C ATOM 869 C SER A 60 -4.887 -8.546 4.600 1.00 0.00 C ATOM 870 O SER A 60 -5.959 -9.151 4.572 1.00 0.00 O ATOM 871 CB SER A 60 -3.059 -9.521 6.004 1.00 0.00 C ATOM 872 OG SER A 60 -4.102 -9.983 6.845 1.00 0.00 O ATOM 0 H SER A 60 -2.037 -7.882 4.325 1.00 0.00 H new ATOM 0 HA SER A 60 -3.723 -10.269 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.244 -10.245 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.655 -8.589 6.399 1.00 0.00 H new ATOM 0 HG SER A 60 -3.756 -10.117 7.752 1.00 0.00 H new ATOM 878 N PHE A 61 -4.805 -7.221 4.654 1.00 0.00 N ATOM 879 CA PHE A 61 -5.997 -6.382 4.684 1.00 0.00 C ATOM 880 C PHE A 61 -6.484 -6.078 3.270 1.00 0.00 C ATOM 881 O PHE A 61 -7.016 -5.001 3.002 1.00 0.00 O ATOM 882 CB PHE A 61 -5.709 -5.076 5.428 1.00 0.00 C ATOM 883 CG PHE A 61 -5.908 -5.176 6.913 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.441 -6.276 7.615 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.561 -4.170 7.607 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.623 -6.370 8.982 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.746 -4.259 8.974 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.275 -5.360 9.662 1.00 0.00 C ATOM 0 H PHE A 61 -3.925 -6.705 4.678 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.781 -6.927 5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.682 -4.771 5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.357 -4.293 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.929 -7.068 7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.930 -3.306 7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.256 -7.233 9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.258 -3.469 9.503 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.416 -5.431 10.730 1.00 0.00 H new ATOM 898 N VAL A 62 -6.297 -7.036 2.368 1.00 0.00 N ATOM 899 CA VAL A 62 -6.717 -6.873 0.981 1.00 0.00 C ATOM 900 C VAL A 62 -7.149 -8.204 0.377 1.00 0.00 C ATOM 901 O VAL A 62 -6.627 -9.259 0.737 1.00 0.00 O ATOM 902 CB VAL A 62 -5.590 -6.273 0.120 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.272 -4.855 0.569 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.349 -7.151 0.181 1.00 0.00 C ATOM 0 H VAL A 62 -5.857 -7.933 2.573 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.565 -6.188 0.986 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.929 -6.233 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.473 -4.448 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.162 -4.234 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.953 -4.866 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.562 -6.712 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.006 -7.224 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.589 -8.146 -0.193 1.00 0.00 H new ATOM 914 N ARG A 63 -8.107 -8.148 -0.543 1.00 0.00 N ATOM 915 CA ARG A 63 -8.610 -9.349 -1.197 1.00 0.00 C ATOM 916 C ARG A 63 -8.042 -9.479 -2.608 1.00 0.00 C ATOM 917 O ARG A 63 -7.953 -8.497 -3.345 1.00 0.00 O ATOM 918 CB ARG A 63 -10.138 -9.324 -1.251 1.00 0.00 C ATOM 919 CG ARG A 63 -10.802 -9.850 0.011 1.00 0.00 C ATOM 920 CD ARG A 63 -10.699 -11.364 0.105 1.00 0.00 C ATOM 921 NE ARG A 63 -11.165 -11.866 1.394 1.00 0.00 N ATOM 922 CZ ARG A 63 -11.258 -13.158 1.691 1.00 0.00 C ATOM 923 NH1 ARG A 63 -10.919 -14.073 0.794 1.00 0.00 N ATOM 924 NH2 ARG A 63 -11.692 -13.536 2.887 1.00 0.00 N ATOM 0 H ARG A 63 -8.550 -7.283 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.288 -10.212 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.470 -8.301 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.473 -9.918 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.334 -9.397 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.851 -9.554 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.286 -11.817 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.663 -11.667 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.434 -11.187 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.586 -13.786 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.991 -15.064 1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.955 -12.835 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.763 -14.528 3.114 1.00 0.00 H new ATOM 938 N LEU A 64 -7.659 -10.697 -2.975 1.00 0.00 N ATOM 939 CA LEU A 64 -7.099 -10.956 -4.298 1.00 0.00 C ATOM 940 C LEU A 64 -8.190 -11.373 -5.279 1.00 0.00 C ATOM 941 O LEU A 64 -9.001 -12.250 -4.983 1.00 0.00 O ATOM 942 CB LEU A 64 -6.027 -12.044 -4.215 1.00 0.00 C ATOM 943 CG LEU A 64 -4.623 -11.575 -3.833 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.711 -12.767 -3.586 1.00 0.00 C ATOM 945 CD2 LEU A 64 -4.047 -10.678 -4.919 1.00 0.00 C ATOM 0 H LEU A 64 -7.726 -11.520 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.644 -10.034 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.350 -12.789 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.971 -12.545 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.692 -10.998 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.716 -12.414 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.115 -13.372 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.648 -13.371 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.047 -10.353 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.992 -11.231 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.688 -9.806 -5.049 1.00 0.00 H new ATOM 957 N TRP A 65 -8.201 -10.741 -6.447 1.00 0.00 N ATOM 958 CA TRP A 65 -9.191 -11.049 -7.472 1.00 0.00 C ATOM 959 C TRP A 65 -8.927 -12.418 -8.090 1.00 0.00 C ATOM 960 O TRP A 65 -9.828 -13.253 -8.181 1.00 0.00 O ATOM 961 CB TRP A 65 -9.179 -9.975 -8.561 1.00 0.00 C ATOM 962 CG TRP A 65 -9.368 -8.587 -8.027 1.00 0.00 C ATOM 963 CD1 TRP A 65 -9.855 -8.240 -6.799 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.074 -7.361 -8.705 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.883 -6.872 -6.673 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.407 -6.310 -7.828 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.560 -7.048 -9.966 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.244 -4.971 -8.175 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -8.398 -5.719 -10.309 1.00 0.00 C ATOM 970 CH2 TRP A 65 -8.738 -4.694 -9.416 1.00 0.00 C ATOM 0 H TRP A 65 -7.536 -10.013 -6.708 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.173 -11.067 -6.999 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.233 -10.024 -9.099 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.968 -10.190 -9.282 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.172 -8.938 -6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -10.206 -6.359 -5.853 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.294 -7.831 -10.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.508 -4.179 -7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -8.003 -5.466 -11.282 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.598 -3.665 -9.713 1.00 0.00 H new