USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 538 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 7 THR OG1 : rot -19:sc= 0.79 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.108 USER MOD Single : A 13 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.13) USER MOD Single : A 14 ASN :FLIP amide:sc= -4.95! C(o=-6.7!,f=-5!) USER MOD Single : A 32 ASN : amide:sc= -0.7 K(o=-0.7,f=-6.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.268 USER MOD Single : A 41 GLN : amide:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 44 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.065) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 39:sc= 0.956 USER MOD Single : A 90 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.19) USER MOD Single : A 91 THR OG1 : rot -17:sc= 0.282 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -3.81! (180deg=-4.84!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.56! C(o=-2!,f=-0.56!) USER MOD Single : A 102 THR OG1 : rot -80:sc= 0.34 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0889 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.397 1.032 13.156 1.00 0.00 N ATOM 91 CA THR A 7 16.856 1.413 11.854 1.00 0.00 C ATOM 92 C THR A 7 16.724 0.188 10.954 1.00 0.00 C ATOM 93 O THR A 7 17.575 -0.700 10.974 1.00 0.00 O ATOM 94 CB THR A 7 17.751 2.461 11.195 1.00 0.00 C ATOM 95 OG1 THR A 7 18.904 2.711 11.980 1.00 0.00 O ATOM 96 CG2 THR A 7 17.044 3.778 10.984 1.00 0.00 C ATOM 0 HA THR A 7 15.865 1.843 12.002 1.00 0.00 H new ATOM 0 HB THR A 7 18.027 2.045 10.226 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.746 2.409 12.899 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.726 4.486 10.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.177 3.627 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.718 4.174 11.946 1.00 0.00 H new ATOM 104 N PHE A 8 15.646 0.134 10.174 1.00 0.00 N ATOM 105 CA PHE A 8 15.417 -1.003 9.287 1.00 0.00 C ATOM 106 C PHE A 8 14.751 -0.601 7.975 1.00 0.00 C ATOM 107 O PHE A 8 13.902 0.288 7.933 1.00 0.00 O ATOM 108 CB PHE A 8 14.549 -2.056 9.981 1.00 0.00 C ATOM 109 CG PHE A 8 13.461 -1.488 10.855 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.874 -0.260 10.571 1.00 0.00 C ATOM 111 CD2 PHE A 8 13.024 -2.190 11.967 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.879 0.250 11.380 1.00 0.00 C ATOM 113 CE2 PHE A 8 12.029 -1.683 12.779 1.00 0.00 C ATOM 114 CZ PHE A 8 11.455 -0.461 12.486 1.00 0.00 C ATOM 0 H PHE A 8 14.926 0.855 10.138 1.00 0.00 H new ATOM 0 HA PHE A 8 16.399 -1.414 9.054 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.094 -2.692 9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.190 -2.695 10.589 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.200 0.301 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.468 -3.146 12.202 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.432 1.205 11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.700 -2.241 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.677 -0.063 13.120 1.00 0.00 H new ATOM 124 N CYS A 9 15.116 -1.300 6.910 1.00 0.00 N ATOM 125 CA CYS A 9 14.530 -1.059 5.603 1.00 0.00 C ATOM 126 C CYS A 9 13.394 -2.055 5.381 1.00 0.00 C ATOM 127 O CYS A 9 13.585 -3.262 5.528 1.00 0.00 O ATOM 128 CB CYS A 9 15.586 -1.208 4.505 1.00 0.00 C ATOM 129 SG CYS A 9 16.470 -2.784 4.541 1.00 0.00 S ATOM 0 H CYS A 9 15.817 -2.040 6.927 1.00 0.00 H new ATOM 0 HA CYS A 9 14.142 -0.041 5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.103 -1.096 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.308 -0.396 4.597 1.00 0.00 H new ATOM 0 HG CYS A 9 15.675 -3.718 4.973 1.00 0.00 H new ATOM 135 N VAL A 10 12.210 -1.554 5.049 1.00 0.00 N ATOM 136 CA VAL A 10 11.054 -2.422 4.839 1.00 0.00 C ATOM 137 C VAL A 10 10.660 -2.474 3.373 1.00 0.00 C ATOM 138 O VAL A 10 10.865 -1.524 2.629 1.00 0.00 O ATOM 139 CB VAL A 10 9.839 -1.959 5.680 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.724 -1.389 4.809 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.316 -3.102 6.530 1.00 0.00 C ATOM 0 H VAL A 10 12.024 -0.559 4.920 1.00 0.00 H new ATOM 0 HA VAL A 10 11.348 -3.421 5.163 1.00 0.00 H new ATOM 0 HB VAL A 10 10.183 -1.158 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.892 -1.077 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.100 -0.530 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.382 -2.152 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.462 -2.760 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.007 -3.924 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.102 -3.445 7.203 1.00 0.00 H new ATOM 151 N VAL A 11 10.090 -3.594 2.965 1.00 0.00 N ATOM 152 CA VAL A 11 9.675 -3.761 1.588 1.00 0.00 C ATOM 153 C VAL A 11 8.301 -4.416 1.489 1.00 0.00 C ATOM 154 O VAL A 11 8.033 -5.433 2.128 1.00 0.00 O ATOM 155 CB VAL A 11 10.714 -4.580 0.815 1.00 0.00 C ATOM 156 CG1 VAL A 11 10.996 -5.888 1.530 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.273 -4.819 -0.623 1.00 0.00 C ATOM 0 H VAL A 11 9.906 -4.397 3.566 1.00 0.00 H new ATOM 0 HA VAL A 11 9.600 -2.769 1.142 1.00 0.00 H new ATOM 0 HB VAL A 11 11.640 -4.006 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.736 -6.458 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.380 -5.681 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.075 -6.466 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.032 -5.403 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.329 -5.364 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.142 -3.862 -1.127 1.00 0.00 H new ATOM 167 N VAL A 12 7.435 -3.810 0.683 1.00 0.00 N ATOM 168 CA VAL A 12 6.079 -4.305 0.490 1.00 0.00 C ATOM 169 C VAL A 12 5.964 -5.131 -0.785 1.00 0.00 C ATOM 170 O VAL A 12 5.937 -4.588 -1.889 1.00 0.00 O ATOM 171 CB VAL A 12 5.073 -3.141 0.428 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.860 -2.555 1.812 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.554 -2.067 -0.535 1.00 0.00 C ATOM 0 H VAL A 12 7.652 -2.968 0.149 1.00 0.00 H new ATOM 0 HA VAL A 12 5.847 -4.940 1.345 1.00 0.00 H new ATOM 0 HB VAL A 12 4.121 -3.527 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.147 -1.733 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.472 -3.326 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.809 -2.185 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.829 -1.254 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.517 -1.683 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.661 -2.494 -1.532 1.00 0.00 H new ATOM 183 N GLN A 13 5.892 -6.445 -0.623 1.00 0.00 N ATOM 184 CA GLN A 13 5.776 -7.349 -1.761 1.00 0.00 C ATOM 185 C GLN A 13 4.352 -7.882 -1.887 1.00 0.00 C ATOM 186 O GLN A 13 3.922 -8.724 -1.099 1.00 0.00 O ATOM 187 CB GLN A 13 6.759 -8.512 -1.619 1.00 0.00 C ATOM 188 CG GLN A 13 7.440 -8.893 -2.923 1.00 0.00 C ATOM 189 CD GLN A 13 8.907 -9.225 -2.739 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.383 -10.266 -3.193 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.635 -8.340 -2.067 1.00 0.00 N ATOM 0 H GLN A 13 5.912 -6.910 0.285 1.00 0.00 H new ATOM 0 HA GLN A 13 6.017 -6.789 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.520 -8.247 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.228 -9.380 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.929 -9.752 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.343 -8.071 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.201 -7.490 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.628 -8.511 -1.910 1.00 0.00 H new ATOM 200 N ASN A 14 3.622 -7.388 -2.885 1.00 0.00 N ATOM 201 CA ASN A 14 2.248 -7.821 -3.109 1.00 0.00 C ATOM 202 C ASN A 14 2.026 -8.208 -4.565 1.00 0.00 C ATOM 203 O ASN A 14 2.614 -7.624 -5.476 1.00 0.00 O ATOM 204 CB ASN A 14 1.261 -6.721 -2.707 1.00 0.00 C ATOM 205 CG ASN A 14 0.389 -7.130 -1.536 1.00 0.00 C ATOM 206 OD1 ASN A 14 1.020 -7.561 -0.450 1.00 0.00 O flip ATOM 207 ND2 ASN A 14 -0.837 -7.061 -1.607 1.00 0.00 N flip ATOM 0 H ASN A 14 3.959 -6.690 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 14 2.073 -8.698 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.813 -5.818 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.628 -6.474 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.280 -6.724 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.410 -7.341 -0.811 1.00 0.00 H new ATOM 482 N ASP A 31 7.271 -4.667 -5.482 1.00 0.00 N ATOM 483 CA ASP A 31 8.126 -4.636 -4.301 1.00 0.00 C ATOM 484 C ASP A 31 8.843 -3.298 -4.180 1.00 0.00 C ATOM 485 O ASP A 31 9.652 -2.935 -5.035 1.00 0.00 O ATOM 486 CB ASP A 31 9.151 -5.773 -4.340 1.00 0.00 C ATOM 487 CG ASP A 31 9.577 -6.134 -5.751 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.524 -5.503 -6.266 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.965 -7.050 -6.339 1.00 0.00 O ATOM 0 HA ASP A 31 7.486 -4.769 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.029 -5.484 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.728 -6.654 -3.857 1.00 0.00 H new ATOM 494 N ASN A 32 8.547 -2.572 -3.109 1.00 0.00 N ATOM 495 CA ASN A 32 9.168 -1.274 -2.868 1.00 0.00 C ATOM 496 C ASN A 32 9.940 -1.296 -1.557 1.00 0.00 C ATOM 497 O ASN A 32 9.398 -1.675 -0.522 1.00 0.00 O ATOM 498 CB ASN A 32 8.106 -0.174 -2.831 1.00 0.00 C ATOM 499 CG ASN A 32 8.712 1.215 -2.807 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.749 1.442 -2.184 1.00 0.00 O ATOM 501 ND2 ASN A 32 8.067 2.154 -3.490 1.00 0.00 N ATOM 0 H ASN A 32 7.880 -2.860 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 32 9.861 -1.065 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.458 -0.269 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.478 -0.309 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.428 3.108 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.210 1.921 -3.992 1.00 0.00 H new ATOM 508 N SER A 33 11.208 -0.898 -1.601 1.00 0.00 N ATOM 509 CA SER A 33 12.038 -0.891 -0.403 1.00 0.00 C ATOM 510 C SER A 33 11.893 0.408 0.369 1.00 0.00 C ATOM 511 O SER A 33 11.723 1.482 -0.208 1.00 0.00 O ATOM 512 CB SER A 33 13.509 -1.109 -0.748 1.00 0.00 C ATOM 513 OG SER A 33 13.821 -0.586 -2.028 1.00 0.00 O ATOM 0 H SER A 33 11.680 -0.578 -2.447 1.00 0.00 H new ATOM 0 HA SER A 33 11.691 -1.713 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.136 -0.631 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.737 -2.175 -0.723 1.00 0.00 H new ATOM 0 HG SER A 33 14.770 -0.738 -2.221 1.00 0.00 H new ATOM 519 N LEU A 34 11.964 0.289 1.684 1.00 0.00 N ATOM 520 CA LEU A 34 11.848 1.430 2.575 1.00 0.00 C ATOM 521 C LEU A 34 13.196 1.703 3.248 1.00 0.00 C ATOM 522 O LEU A 34 13.920 0.774 3.598 1.00 0.00 O ATOM 523 CB LEU A 34 10.742 1.156 3.614 1.00 0.00 C ATOM 524 CG LEU A 34 10.641 2.121 4.785 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.581 1.666 5.882 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.929 3.557 4.368 1.00 0.00 C ATOM 0 H LEU A 34 12.104 -0.601 2.163 1.00 0.00 H new ATOM 0 HA LEU A 34 11.573 2.320 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.783 1.151 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.893 0.153 4.013 1.00 0.00 H new ATOM 0 HG LEU A 34 9.617 2.112 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.515 2.353 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.303 0.664 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.603 1.654 5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.846 4.212 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.938 3.622 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.210 3.867 3.609 1.00 0.00 H new ATOM 538 N ALA A 35 13.526 2.978 3.418 1.00 0.00 N ATOM 539 CA ALA A 35 14.777 3.379 4.037 1.00 0.00 C ATOM 540 C ALA A 35 14.761 3.068 5.521 1.00 0.00 C ATOM 541 O ALA A 35 13.707 2.936 6.125 1.00 0.00 O ATOM 542 CB ALA A 35 15.030 4.856 3.814 1.00 0.00 C ATOM 0 H ALA A 35 12.934 3.758 3.131 1.00 0.00 H new ATOM 0 HA ALA A 35 15.585 2.813 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.972 5.139 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.084 5.059 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.217 5.435 4.252 1.00 0.00 H new ATOM 548 N ALA A 36 15.933 2.929 6.102 1.00 0.00 N ATOM 549 CA ALA A 36 16.027 2.591 7.513 1.00 0.00 C ATOM 550 C ALA A 36 15.585 3.753 8.391 1.00 0.00 C ATOM 551 O ALA A 36 16.214 4.811 8.418 1.00 0.00 O ATOM 552 CB ALA A 36 17.450 2.176 7.858 1.00 0.00 C ATOM 0 H ALA A 36 16.829 3.043 5.628 1.00 0.00 H new ATOM 0 HA ALA A 36 15.356 1.754 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.509 1.925 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.730 1.307 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.132 2.999 7.641 1.00 0.00 H new ATOM 558 N VAL A 37 14.476 3.534 9.101 1.00 0.00 N ATOM 559 CA VAL A 37 13.906 4.544 9.986 1.00 0.00 C ATOM 560 C VAL A 37 13.580 3.948 11.358 1.00 0.00 C ATOM 561 O VAL A 37 13.948 2.812 11.655 1.00 0.00 O ATOM 562 CB VAL A 37 12.626 5.183 9.375 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.668 5.142 7.855 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.360 4.494 9.874 1.00 0.00 C ATOM 0 H VAL A 37 13.954 2.658 9.077 1.00 0.00 H new ATOM 0 HA VAL A 37 14.657 5.325 10.106 1.00 0.00 H new ATOM 0 HB VAL A 37 12.602 6.223 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.761 5.595 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.538 5.695 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.735 4.107 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.487 4.968 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.385 3.441 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.302 4.580 10.959 1.00 0.00 H new ATOM 574 N SER A 38 12.884 4.722 12.184 1.00 0.00 N ATOM 575 CA SER A 38 12.505 4.272 13.520 1.00 0.00 C ATOM 576 C SER A 38 11.504 3.119 13.452 1.00 0.00 C ATOM 577 O SER A 38 11.841 1.976 13.762 1.00 0.00 O ATOM 578 CB SER A 38 11.911 5.433 14.319 1.00 0.00 C ATOM 579 OG SER A 38 12.422 5.457 15.641 1.00 0.00 O ATOM 0 H SER A 38 12.570 5.665 11.952 1.00 0.00 H new ATOM 0 HA SER A 38 13.404 3.913 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.138 6.375 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.825 5.341 14.347 1.00 0.00 H new ATOM 0 HG SER A 38 12.028 6.209 16.130 1.00 0.00 H new ATOM 585 N GLU A 39 10.271 3.424 13.054 1.00 0.00 N ATOM 586 CA GLU A 39 9.226 2.403 12.961 1.00 0.00 C ATOM 587 C GLU A 39 8.066 2.839 12.061 1.00 0.00 C ATOM 588 O GLU A 39 7.279 2.004 11.616 1.00 0.00 O ATOM 589 CB GLU A 39 8.698 2.066 14.356 1.00 0.00 C ATOM 590 CG GLU A 39 8.170 0.645 14.478 1.00 0.00 C ATOM 591 CD GLU A 39 6.790 0.586 15.106 1.00 0.00 C ATOM 592 OE1 GLU A 39 5.828 1.066 14.471 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.673 0.060 16.233 1.00 0.00 O ATOM 0 H GLU A 39 9.971 4.363 12.792 1.00 0.00 H new ATOM 0 HA GLU A 39 9.677 1.519 12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.497 2.212 15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.902 2.764 14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.135 0.189 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.863 0.054 15.077 1.00 0.00 H new ATOM 600 N SER A 40 7.955 4.143 11.802 1.00 0.00 N ATOM 601 CA SER A 40 6.882 4.676 10.963 1.00 0.00 C ATOM 602 C SER A 40 6.649 3.813 9.722 1.00 0.00 C ATOM 603 O SER A 40 5.512 3.620 9.295 1.00 0.00 O ATOM 604 CB SER A 40 7.205 6.111 10.542 1.00 0.00 C ATOM 605 OG SER A 40 8.519 6.205 10.018 1.00 0.00 O ATOM 0 H SER A 40 8.596 4.850 12.162 1.00 0.00 H new ATOM 0 HA SER A 40 5.967 4.665 11.555 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.487 6.444 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.103 6.777 11.399 1.00 0.00 H new ATOM 0 HG SER A 40 8.701 7.131 9.755 1.00 0.00 H new ATOM 611 N GLN A 41 7.733 3.306 9.144 1.00 0.00 N ATOM 612 CA GLN A 41 7.641 2.469 7.947 1.00 0.00 C ATOM 613 C GLN A 41 6.782 1.235 8.186 1.00 0.00 C ATOM 614 O GLN A 41 5.989 0.843 7.332 1.00 0.00 O ATOM 615 CB GLN A 41 9.026 2.034 7.469 1.00 0.00 C ATOM 616 CG GLN A 41 10.039 1.747 8.574 1.00 0.00 C ATOM 617 CD GLN A 41 9.825 0.411 9.259 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.186 0.332 10.306 1.00 0.00 O ATOM 619 NE2 GLN A 41 10.384 -0.645 8.681 1.00 0.00 N ATOM 0 H GLN A 41 8.684 3.458 9.481 1.00 0.00 H new ATOM 0 HA GLN A 41 7.170 3.078 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.916 1.138 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.430 2.813 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.043 1.773 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.987 2.541 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.906 -0.534 7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.292 -1.568 9.106 1.00 0.00 H new ATOM 628 N LEU A 42 6.962 0.618 9.343 1.00 0.00 N ATOM 629 CA LEU A 42 6.218 -0.585 9.689 1.00 0.00 C ATOM 630 C LEU A 42 4.758 -0.271 9.979 1.00 0.00 C ATOM 631 O LEU A 42 3.879 -1.102 9.757 1.00 0.00 O ATOM 632 CB LEU A 42 6.853 -1.268 10.902 1.00 0.00 C ATOM 633 CG LEU A 42 6.127 -2.521 11.393 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.691 -3.764 10.720 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.231 -2.638 12.906 1.00 0.00 C ATOM 0 H LEU A 42 7.617 0.930 10.060 1.00 0.00 H new ATOM 0 HA LEU A 42 6.257 -1.258 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.880 -1.536 10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.901 -0.550 11.721 1.00 0.00 H new ATOM 0 HG LEU A 42 5.074 -2.435 11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.162 -4.646 11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.564 -3.683 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.751 -3.855 10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.709 -3.535 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.280 -2.701 13.195 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.779 -1.762 13.371 1.00 0.00 H new ATOM 647 N ALA A 43 4.504 0.927 10.484 1.00 0.00 N ATOM 648 CA ALA A 43 3.149 1.341 10.813 1.00 0.00 C ATOM 649 C ALA A 43 2.461 2.004 9.625 1.00 0.00 C ATOM 650 O ALA A 43 1.237 1.959 9.503 1.00 0.00 O ATOM 651 CB ALA A 43 3.171 2.281 12.003 1.00 0.00 C ATOM 0 H ALA A 43 5.219 1.629 10.675 1.00 0.00 H new ATOM 0 HA ALA A 43 2.576 0.450 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.153 2.587 12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.609 1.771 12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.767 3.161 11.761 1.00 0.00 H new ATOM 657 N GLN A 44 3.250 2.618 8.749 1.00 0.00 N ATOM 658 CA GLN A 44 2.705 3.288 7.575 1.00 0.00 C ATOM 659 C GLN A 44 2.158 2.270 6.581 1.00 0.00 C ATOM 660 O GLN A 44 1.049 2.421 6.067 1.00 0.00 O ATOM 661 CB GLN A 44 3.777 4.151 6.907 1.00 0.00 C ATOM 662 CG GLN A 44 3.701 5.621 7.290 1.00 0.00 C ATOM 663 CD GLN A 44 2.502 6.321 6.682 1.00 0.00 C ATOM 664 OE1 GLN A 44 2.397 6.451 5.463 1.00 0.00 O ATOM 665 NE2 GLN A 44 1.588 6.776 7.532 1.00 0.00 N ATOM 0 H GLN A 44 4.266 2.665 8.830 1.00 0.00 H new ATOM 0 HA GLN A 44 1.887 3.932 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.761 3.765 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.682 4.061 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.656 5.708 8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.613 6.124 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.716 6.646 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.759 7.255 7.181 1.00 0.00 H new ATOM 674 N LEU A 45 2.944 1.234 6.315 1.00 0.00 N ATOM 675 CA LEU A 45 2.544 0.189 5.381 1.00 0.00 C ATOM 676 C LEU A 45 1.571 -0.789 6.032 1.00 0.00 C ATOM 677 O LEU A 45 0.699 -1.348 5.367 1.00 0.00 O ATOM 678 CB LEU A 45 3.780 -0.548 4.864 1.00 0.00 C ATOM 679 CG LEU A 45 4.844 0.362 4.248 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.042 -0.440 3.770 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.251 1.174 3.110 1.00 0.00 C ATOM 0 H LEU A 45 3.864 1.095 6.734 1.00 0.00 H new ATOM 0 HA LEU A 45 2.031 0.657 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.227 -1.105 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.467 -1.279 4.118 1.00 0.00 H new ATOM 0 HG LEU A 45 5.191 1.049 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.781 0.234 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.484 -0.971 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.721 -1.159 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.020 1.817 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.872 0.500 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.434 1.789 3.489 1.00 0.00 H new ATOM 692 N LYS A 46 1.724 -0.989 7.337 1.00 0.00 N ATOM 693 CA LYS A 46 0.854 -1.897 8.079 1.00 0.00 C ATOM 694 C LYS A 46 -0.447 -1.208 8.489 1.00 0.00 C ATOM 695 O LYS A 46 -1.416 -1.867 8.866 1.00 0.00 O ATOM 696 CB LYS A 46 1.572 -2.425 9.322 1.00 0.00 C ATOM 697 CG LYS A 46 0.852 -3.581 9.999 1.00 0.00 C ATOM 698 CD LYS A 46 1.247 -3.703 11.463 1.00 0.00 C ATOM 699 CE LYS A 46 1.633 -5.130 11.820 1.00 0.00 C ATOM 700 NZ LYS A 46 2.100 -5.243 13.229 1.00 0.00 N ATOM 0 H LYS A 46 2.441 -0.535 7.903 1.00 0.00 H new ATOM 0 HA LYS A 46 0.609 -2.731 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.575 -2.747 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.687 -1.611 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.225 -3.435 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.085 -4.510 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.083 -3.036 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.417 -3.381 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.776 -5.787 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.420 -5.472 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.353 -6.231 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.933 -4.636 13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.340 -4.941 13.872 1.00 0.00 H new ATOM 714 N ALA A 47 -0.463 0.122 8.419 1.00 0.00 N ATOM 715 CA ALA A 47 -1.645 0.898 8.789 1.00 0.00 C ATOM 716 C ALA A 47 -2.909 0.346 8.136 1.00 0.00 C ATOM 717 O ALA A 47 -3.971 0.304 8.759 1.00 0.00 O ATOM 718 CB ALA A 47 -1.452 2.359 8.412 1.00 0.00 C ATOM 0 H ALA A 47 0.329 0.685 8.109 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.770 0.819 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.339 2.927 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.584 2.759 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.295 2.439 7.336 1.00 0.00 H new ATOM 724 N ASP A 48 -2.792 -0.073 6.880 1.00 0.00 N ATOM 725 CA ASP A 48 -3.932 -0.617 6.149 1.00 0.00 C ATOM 726 C ASP A 48 -3.655 -2.047 5.685 1.00 0.00 C ATOM 727 O ASP A 48 -2.533 -2.375 5.299 1.00 0.00 O ATOM 728 CB ASP A 48 -4.261 0.267 4.945 1.00 0.00 C ATOM 729 CG ASP A 48 -5.751 0.488 4.781 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.299 1.375 5.469 1.00 0.00 O ATOM 731 OD2 ASP A 48 -6.371 -0.226 3.964 1.00 0.00 O ATOM 0 H ASP A 48 -1.922 -0.047 6.348 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.787 -0.635 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.764 1.230 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.863 -0.193 4.040 1.00 0.00 H new ATOM 736 N PRO A 49 -4.678 -2.919 5.718 1.00 0.00 N ATOM 737 CA PRO A 49 -4.541 -4.314 5.303 1.00 0.00 C ATOM 738 C PRO A 49 -4.693 -4.493 3.794 1.00 0.00 C ATOM 739 O PRO A 49 -5.465 -5.335 3.333 1.00 0.00 O ATOM 740 CB PRO A 49 -5.691 -4.994 6.040 1.00 0.00 C ATOM 741 CG PRO A 49 -6.756 -3.952 6.111 1.00 0.00 C ATOM 742 CD PRO A 49 -6.052 -2.617 6.168 1.00 0.00 C ATOM 0 HA PRO A 49 -3.556 -4.721 5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.037 -5.879 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.388 -5.320 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.411 -4.008 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.382 -4.098 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.532 -1.884 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.060 -2.204 7.177 1.00 0.00 H new ATOM 750 N ARG A 50 -3.951 -3.698 3.030 1.00 0.00 N ATOM 751 CA ARG A 50 -4.002 -3.770 1.574 1.00 0.00 C ATOM 752 C ARG A 50 -2.849 -4.615 1.039 1.00 0.00 C ATOM 753 O ARG A 50 -3.053 -5.525 0.234 1.00 0.00 O ATOM 754 CB ARG A 50 -3.952 -2.362 0.974 1.00 0.00 C ATOM 755 CG ARG A 50 -5.264 -1.920 0.348 1.00 0.00 C ATOM 756 CD ARG A 50 -6.408 -1.970 1.349 1.00 0.00 C ATOM 757 NE ARG A 50 -7.695 -2.197 0.698 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.779 -2.638 1.332 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.737 -2.896 2.634 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.911 -2.819 0.664 1.00 0.00 N ATOM 0 H ARG A 50 -3.307 -2.996 3.395 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.940 -4.243 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.675 -1.653 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.168 -2.326 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.161 -0.905 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.496 -2.561 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.222 -2.764 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.444 -1.034 1.906 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.768 -2.006 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.871 -2.756 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.571 -3.234 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.951 -2.620 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.742 -3.157 1.150 1.00 0.00 H new ATOM 774 N LEU A 51 -1.640 -4.313 1.501 1.00 0.00 N ATOM 775 CA LEU A 51 -0.451 -5.049 1.086 1.00 0.00 C ATOM 776 C LEU A 51 0.289 -5.579 2.314 1.00 0.00 C ATOM 777 O LEU A 51 -0.227 -5.511 3.429 1.00 0.00 O ATOM 778 CB LEU A 51 0.477 -4.158 0.244 1.00 0.00 C ATOM 779 CG LEU A 51 -0.220 -3.195 -0.727 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.378 -3.880 -1.439 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.694 -1.943 0.000 1.00 0.00 C ATOM 0 H LEU A 51 -1.458 -3.561 2.165 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.762 -5.892 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.100 -3.573 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.145 -4.801 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 51 0.506 -2.895 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.854 -3.175 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.004 -4.734 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.106 -4.222 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.185 -1.275 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.398 -2.222 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.161 -1.435 0.445 1.00 0.00 H new ATOM 793 N VAL A 52 1.490 -6.118 2.111 1.00 0.00 N ATOM 794 CA VAL A 52 2.270 -6.666 3.216 1.00 0.00 C ATOM 795 C VAL A 52 3.504 -5.819 3.518 1.00 0.00 C ATOM 796 O VAL A 52 4.151 -5.300 2.611 1.00 0.00 O ATOM 797 CB VAL A 52 2.716 -8.116 2.919 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.578 -8.910 2.302 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.936 -8.139 2.005 1.00 0.00 C ATOM 0 H VAL A 52 1.940 -6.186 1.198 1.00 0.00 H new ATOM 0 HA VAL A 52 1.617 -6.657 4.089 1.00 0.00 H new ATOM 0 HB VAL A 52 2.992 -8.581 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.912 -9.928 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.735 -8.935 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.269 -8.438 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.227 -9.172 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.693 -7.649 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.761 -7.613 2.486 1.00 0.00 H new ATOM 809 N VAL A 53 3.833 -5.705 4.802 1.00 0.00 N ATOM 810 CA VAL A 53 5.005 -4.946 5.230 1.00 0.00 C ATOM 811 C VAL A 53 5.834 -5.767 6.212 1.00 0.00 C ATOM 812 O VAL A 53 5.357 -6.134 7.286 1.00 0.00 O ATOM 813 CB VAL A 53 4.613 -3.601 5.871 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.571 -3.801 6.962 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.837 -2.876 6.418 1.00 0.00 C ATOM 0 H VAL A 53 3.304 -6.129 5.565 1.00 0.00 H new ATOM 0 HA VAL A 53 5.599 -4.732 4.342 1.00 0.00 H new ATOM 0 HB VAL A 53 4.173 -2.977 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.311 -2.837 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.679 -4.257 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.976 -4.453 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.530 -1.930 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.319 -3.495 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.539 -2.684 5.606 1.00 0.00 H new ATOM 825 N GLN A 54 7.069 -6.070 5.827 1.00 0.00 N ATOM 826 CA GLN A 54 7.954 -6.873 6.671 1.00 0.00 C ATOM 827 C GLN A 54 9.303 -6.194 6.897 1.00 0.00 C ATOM 828 O GLN A 54 9.922 -5.690 5.960 1.00 0.00 O ATOM 829 CB GLN A 54 8.167 -8.253 6.045 1.00 0.00 C ATOM 830 CG GLN A 54 7.299 -9.340 6.661 1.00 0.00 C ATOM 831 CD GLN A 54 6.490 -10.098 5.627 1.00 0.00 C ATOM 832 OE1 GLN A 54 5.262 -10.020 5.603 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.177 -10.840 4.765 1.00 0.00 N ATOM 0 H GLN A 54 7.481 -5.775 4.942 1.00 0.00 H new ATOM 0 HA GLN A 54 7.470 -6.979 7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.958 -8.195 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.215 -8.533 6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.932 -10.040 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.622 -8.891 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.195 -10.876 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.687 -11.374 4.047 1.00 0.00 H new ATOM 842 N ILE A 55 9.758 -6.207 8.149 1.00 0.00 N ATOM 843 CA ILE A 55 11.040 -5.612 8.515 1.00 0.00 C ATOM 844 C ILE A 55 12.170 -6.626 8.370 1.00 0.00 C ATOM 845 O ILE A 55 12.161 -7.676 9.011 1.00 0.00 O ATOM 846 CB ILE A 55 11.022 -5.090 9.964 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.602 -6.205 10.928 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.089 -3.894 10.086 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.618 -6.477 12.015 1.00 0.00 C ATOM 0 H ILE A 55 9.254 -6.626 8.930 1.00 0.00 H new ATOM 0 HA ILE A 55 11.210 -4.776 7.837 1.00 0.00 H new ATOM 0 HB ILE A 55 12.029 -4.768 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.651 -5.937 11.389 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.434 -7.121 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.088 -3.537 11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.431 -3.097 9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.079 -4.190 9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.255 -7.277 12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.564 -6.776 11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.768 -5.574 12.607 1.00 0.00 H new ATOM 861 N THR A 56 13.142 -6.304 7.522 1.00 0.00 N ATOM 862 CA THR A 56 14.279 -7.188 7.293 1.00 0.00 C ATOM 863 C THR A 56 15.591 -6.478 7.607 1.00 0.00 C ATOM 864 O THR A 56 16.056 -5.639 6.836 1.00 0.00 O ATOM 865 CB THR A 56 14.285 -7.679 5.845 1.00 0.00 C ATOM 866 OG1 THR A 56 14.422 -6.592 4.948 1.00 0.00 O ATOM 867 CG2 THR A 56 13.031 -8.434 5.464 1.00 0.00 C ATOM 0 H THR A 56 13.165 -5.438 6.983 1.00 0.00 H new ATOM 0 HA THR A 56 14.182 -8.045 7.960 1.00 0.00 H new ATOM 0 HB THR A 56 15.134 -8.359 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.056 -5.942 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.101 -8.754 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.923 -9.308 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.164 -7.785 5.586 1.00 0.00 H new ATOM 1312 N LEU A 89 -3.064 18.890 -3.443 1.00 0.00 N ATOM 1313 CA LEU A 89 -3.633 19.067 -2.112 1.00 0.00 C ATOM 1314 C LEU A 89 -4.287 17.779 -1.625 1.00 0.00 C ATOM 1315 O LEU A 89 -4.020 17.316 -0.515 1.00 0.00 O ATOM 1316 CB LEU A 89 -4.661 20.201 -2.122 1.00 0.00 C ATOM 1317 CG LEU A 89 -5.370 20.444 -0.790 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -4.458 21.190 0.172 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -6.663 21.215 -1.010 1.00 0.00 C ATOM 0 HA LEU A 89 -2.824 19.324 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.161 21.121 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.412 19.983 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.616 19.478 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.980 21.354 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.559 20.600 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.180 22.151 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.156 21.380 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.439 22.176 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.322 20.642 -1.663 1.00 0.00 H new ATOM 1331 N ASN A 90 -5.148 17.205 -2.460 1.00 0.00 N ATOM 1332 CA ASN A 90 -5.849 15.971 -2.118 1.00 0.00 C ATOM 1333 C ASN A 90 -4.890 14.903 -1.585 1.00 0.00 C ATOM 1334 O ASN A 90 -5.278 14.064 -0.773 1.00 0.00 O ATOM 1335 CB ASN A 90 -6.595 15.433 -3.339 1.00 0.00 C ATOM 1336 CG ASN A 90 -7.907 14.768 -2.970 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -8.732 15.346 -2.262 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -8.105 13.545 -3.448 1.00 0.00 N ATOM 0 H ASN A 90 -5.378 17.576 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.562 16.206 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.788 16.251 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.962 14.716 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.968 13.047 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.394 13.104 -4.031 1.00 0.00 H new ATOM 1345 N THR A 91 -3.643 14.929 -2.052 1.00 0.00 N ATOM 1346 CA THR A 91 -2.646 13.952 -1.621 1.00 0.00 C ATOM 1347 C THR A 91 -2.364 14.032 -0.115 1.00 0.00 C ATOM 1348 O THR A 91 -1.740 13.131 0.444 1.00 0.00 O ATOM 1349 CB THR A 91 -1.346 14.155 -2.399 1.00 0.00 C ATOM 1350 OG1 THR A 91 -0.347 13.255 -1.950 1.00 0.00 O ATOM 1351 CG2 THR A 91 -0.789 15.556 -2.278 1.00 0.00 C ATOM 0 H THR A 91 -3.300 15.613 -2.726 1.00 0.00 H new ATOM 0 HA THR A 91 -3.054 12.962 -1.827 1.00 0.00 H new ATOM 0 HB THR A 91 -1.602 13.972 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.604 12.890 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.133 15.632 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.516 16.271 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.582 15.776 -1.231 1.00 0.00 H new ATOM 1359 N PHE A 92 -2.819 15.100 0.541 1.00 0.00 N ATOM 1360 CA PHE A 92 -2.599 15.259 1.974 1.00 0.00 C ATOM 1361 C PHE A 92 -3.900 15.053 2.747 1.00 0.00 C ATOM 1362 O PHE A 92 -4.988 15.148 2.180 1.00 0.00 O ATOM 1363 CB PHE A 92 -2.018 16.644 2.270 1.00 0.00 C ATOM 1364 CG PHE A 92 -0.698 16.900 1.596 1.00 0.00 C ATOM 1365 CD1 PHE A 92 0.242 15.887 1.473 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -0.396 18.153 1.089 1.00 0.00 C ATOM 1367 CE1 PHE A 92 1.455 16.120 0.854 1.00 0.00 C ATOM 1368 CE2 PHE A 92 0.816 18.392 0.470 1.00 0.00 C ATOM 1369 CZ PHE A 92 1.743 17.374 0.353 1.00 0.00 C ATOM 0 H PHE A 92 -3.338 15.862 0.104 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.885 14.502 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.732 17.404 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.894 16.754 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.023 14.905 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.116 18.953 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.177 15.322 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.039 19.373 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.691 17.559 -0.130 1.00 0.00 H new ATOM 1379 N THR A 93 -3.783 14.760 4.040 1.00 0.00 N ATOM 1380 CA THR A 93 -4.957 14.530 4.876 1.00 0.00 C ATOM 1381 C THR A 93 -5.049 15.554 6.015 1.00 0.00 C ATOM 1382 O THR A 93 -5.538 16.666 5.814 1.00 0.00 O ATOM 1383 CB THR A 93 -4.941 13.099 5.427 1.00 0.00 C ATOM 1384 OG1 THR A 93 -5.033 12.158 4.372 1.00 0.00 O ATOM 1385 CG2 THR A 93 -6.070 12.813 6.394 1.00 0.00 C ATOM 0 H THR A 93 -2.892 14.677 4.529 1.00 0.00 H new ATOM 0 HA THR A 93 -5.844 14.657 4.255 1.00 0.00 H new ATOM 0 HB THR A 93 -3.996 13.007 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.020 11.250 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.997 11.783 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.001 13.491 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.026 12.958 5.891 1.00 0.00 H new ATOM 1393 N VAL A 94 -4.590 15.177 7.211 1.00 0.00 N ATOM 1394 CA VAL A 94 -4.643 16.071 8.362 1.00 0.00 C ATOM 1395 C VAL A 94 -3.364 15.986 9.191 1.00 0.00 C ATOM 1396 O VAL A 94 -2.725 16.996 9.482 1.00 0.00 O ATOM 1397 CB VAL A 94 -5.846 15.746 9.268 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -6.009 16.810 10.344 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -7.115 15.613 8.440 1.00 0.00 C ATOM 0 H VAL A 94 -4.180 14.263 7.404 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.750 17.082 7.969 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.660 14.792 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.864 16.563 10.974 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.108 16.850 10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.173 17.780 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.955 15.383 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.308 16.550 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.992 14.810 7.713 1.00 0.00 H new ATOM 1409 N GLU A 95 -3.004 14.767 9.569 1.00 0.00 N ATOM 1410 CA GLU A 95 -1.811 14.519 10.369 1.00 0.00 C ATOM 1411 C GLU A 95 -0.532 14.700 9.552 1.00 0.00 C ATOM 1412 O GLU A 95 0.549 14.875 10.114 1.00 0.00 O ATOM 1413 CB GLU A 95 -1.854 13.107 10.955 1.00 0.00 C ATOM 1414 CG GLU A 95 -1.958 12.015 9.902 1.00 0.00 C ATOM 1415 CD GLU A 95 -2.981 10.954 10.261 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -3.997 11.301 10.899 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -2.766 9.778 9.904 1.00 0.00 O ATOM 0 H GLU A 95 -3.528 13.925 9.331 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.800 15.251 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.956 12.942 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.704 13.029 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.225 12.463 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.983 11.545 9.773 1.00 0.00 H new ATOM 1424 N GLN A 96 -0.654 14.639 8.230 1.00 0.00 N ATOM 1425 CA GLN A 96 0.501 14.776 7.353 1.00 0.00 C ATOM 1426 C GLN A 96 0.867 16.235 7.165 1.00 0.00 C ATOM 1427 O GLN A 96 2.044 16.585 7.084 1.00 0.00 O ATOM 1428 CB GLN A 96 0.214 14.127 5.996 1.00 0.00 C ATOM 1429 CG GLN A 96 0.693 12.687 5.898 1.00 0.00 C ATOM 1430 CD GLN A 96 0.283 12.023 4.598 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -0.873 12.113 4.179 1.00 0.00 O ATOM 1432 NE2 GLN A 96 1.229 11.352 3.952 1.00 0.00 N ATOM 0 H GLN A 96 -1.539 14.496 7.744 1.00 0.00 H new ATOM 0 HA GLN A 96 1.345 14.268 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.859 14.158 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.693 14.715 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.779 12.662 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.291 12.117 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.173 11.304 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.012 10.885 3.072 1.00 0.00 H new ATOM 1441 N LEU A 97 -0.146 17.084 7.105 1.00 0.00 N ATOM 1442 CA LEU A 97 0.080 18.511 6.935 1.00 0.00 C ATOM 1443 C LEU A 97 0.837 19.061 8.127 1.00 0.00 C ATOM 1444 O LEU A 97 1.923 19.623 7.991 1.00 0.00 O ATOM 1445 CB LEU A 97 -1.233 19.286 6.783 1.00 0.00 C ATOM 1446 CG LEU A 97 -2.489 18.469 6.482 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -3.660 18.993 7.294 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -2.797 18.522 4.997 1.00 0.00 C ATOM 0 H LEU A 97 -1.127 16.813 7.171 1.00 0.00 H new ATOM 0 HA LEU A 97 0.662 18.638 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.405 19.845 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.105 20.017 5.985 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.316 17.430 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.550 18.404 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.430 18.916 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.843 20.037 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.693 17.937 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.961 19.557 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.958 18.110 4.436 1.00 0.00 H new ATOM 1460 N LYS A 98 0.245 18.888 9.298 1.00 0.00 N ATOM 1461 CA LYS A 98 0.848 19.362 10.538 1.00 0.00 C ATOM 1462 C LYS A 98 2.259 18.809 10.716 1.00 0.00 C ATOM 1463 O LYS A 98 3.130 19.482 11.268 1.00 0.00 O ATOM 1464 CB LYS A 98 -0.026 18.971 11.731 1.00 0.00 C ATOM 1465 CG LYS A 98 -0.174 17.469 11.913 1.00 0.00 C ATOM 1466 CD LYS A 98 -1.293 17.134 12.888 1.00 0.00 C ATOM 1467 CE LYS A 98 -2.623 17.727 12.444 1.00 0.00 C ATOM 1468 NZ LYS A 98 -3.730 16.734 12.528 1.00 0.00 N ATOM 0 H LYS A 98 -0.654 18.422 9.418 1.00 0.00 H new ATOM 0 HA LYS A 98 0.917 20.448 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.401 19.398 12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.015 19.412 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.378 17.003 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.765 17.051 12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.388 16.052 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.038 17.512 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.861 18.590 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.536 18.087 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.644 17.227 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.649 16.056 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.671 16.224 13.433 1.00 0.00 H new ATOM 1482 N ALA A 99 2.485 17.586 10.245 1.00 0.00 N ATOM 1483 CA ALA A 99 3.800 16.966 10.358 1.00 0.00 C ATOM 1484 C ALA A 99 4.711 17.383 9.215 1.00 0.00 C ATOM 1485 O ALA A 99 5.936 17.319 9.323 1.00 0.00 O ATOM 1486 CB ALA A 99 3.672 15.451 10.416 1.00 0.00 C ATOM 0 H ALA A 99 1.781 17.009 9.785 1.00 0.00 H new ATOM 0 HA ALA A 99 4.253 17.313 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.663 15.005 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.073 15.169 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.188 15.092 9.508 1.00 0.00 H new ATOM 1492 N GLN A 100 4.103 17.815 8.128 1.00 0.00 N ATOM 1493 CA GLN A 100 4.850 18.253 6.956 1.00 0.00 C ATOM 1494 C GLN A 100 5.218 19.727 7.063 1.00 0.00 C ATOM 1495 O GLN A 100 6.297 20.137 6.639 1.00 0.00 O ATOM 1496 CB GLN A 100 4.044 18.008 5.680 1.00 0.00 C ATOM 1497 CG GLN A 100 4.237 16.619 5.096 1.00 0.00 C ATOM 1498 CD GLN A 100 4.056 16.590 3.591 1.00 0.00 C ATOM 1499 OE1 GLN A 100 5.165 16.567 2.861 1.00 0.00 O flip ATOM 1500 NE2 GLN A 100 2.932 16.589 3.090 1.00 0.00 N flip ATOM 0 H GLN A 100 3.090 17.874 8.028 1.00 0.00 H new ATOM 0 HA GLN A 100 5.769 17.669 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.986 18.159 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.327 18.750 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.235 16.259 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.527 15.933 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.107 16.607 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.826 16.570 2.076 1.00 0.00 H new ATOM 1509 N LEU A 101 4.315 20.522 7.628 1.00 0.00 N ATOM 1510 CA LEU A 101 4.555 21.950 7.780 1.00 0.00 C ATOM 1511 C LEU A 101 5.799 22.185 8.619 1.00 0.00 C ATOM 1512 O LEU A 101 6.678 22.966 8.252 1.00 0.00 O ATOM 1513 CB LEU A 101 3.361 22.638 8.449 1.00 0.00 C ATOM 1514 CG LEU A 101 2.277 23.175 7.507 1.00 0.00 C ATOM 1515 CD1 LEU A 101 1.292 24.039 8.278 1.00 0.00 C ATOM 1516 CD2 LEU A 101 2.888 23.963 6.354 1.00 0.00 C ATOM 0 H LEU A 101 3.415 20.202 7.986 1.00 0.00 H new ATOM 0 HA LEU A 101 4.696 22.374 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.898 21.930 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.735 23.467 9.050 1.00 0.00 H new ATOM 0 HG LEU A 101 1.744 22.323 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.527 24.414 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.821 23.444 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.820 24.879 8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.094 24.331 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.453 24.807 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.554 23.316 5.783 1.00 0.00 H new ATOM 1528 N THR A 102 5.861 21.497 9.752 1.00 0.00 N ATOM 1529 CA THR A 102 6.991 21.620 10.657 1.00 0.00 C ATOM 1530 C THR A 102 8.247 21.048 10.024 1.00 0.00 C ATOM 1531 O THR A 102 9.343 21.583 10.197 1.00 0.00 O ATOM 1532 CB THR A 102 6.697 20.904 11.976 1.00 0.00 C ATOM 1533 OG1 THR A 102 5.597 20.021 11.837 1.00 0.00 O ATOM 1534 CG2 THR A 102 6.382 21.858 13.102 1.00 0.00 C ATOM 0 H THR A 102 5.139 20.847 10.064 1.00 0.00 H new ATOM 0 HA THR A 102 7.154 22.679 10.859 1.00 0.00 H new ATOM 0 HB THR A 102 7.607 20.356 12.222 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.761 20.530 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.182 21.293 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.232 22.521 13.266 1.00 0.00 H new ATOM 0 HG23 THR A 102 5.505 22.450 12.842 1.00 0.00 H new ATOM 1542 N GLU A 103 8.083 19.959 9.286 1.00 0.00 N ATOM 1543 CA GLU A 103 9.209 19.320 8.624 1.00 0.00 C ATOM 1544 C GLU A 103 9.544 20.015 7.307 1.00 0.00 C ATOM 1545 O GLU A 103 10.543 19.696 6.663 1.00 0.00 O ATOM 1546 CB GLU A 103 8.923 17.837 8.382 1.00 0.00 C ATOM 1547 CG GLU A 103 10.134 16.941 8.594 1.00 0.00 C ATOM 1548 CD GLU A 103 10.502 16.150 7.354 1.00 0.00 C ATOM 1549 OE1 GLU A 103 9.605 15.502 6.775 1.00 0.00 O ATOM 1550 OE2 GLU A 103 11.688 16.179 6.961 1.00 0.00 O ATOM 0 H GLU A 103 7.184 19.502 9.132 1.00 0.00 H new ATOM 0 HA GLU A 103 10.073 19.407 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.123 17.516 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.559 17.707 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.985 17.552 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.931 16.251 9.413 1.00 0.00 H new ATOM 1557 N ARG A 104 8.705 20.965 6.918 1.00 0.00 N ATOM 1558 CA ARG A 104 8.911 21.709 5.680 1.00 0.00 C ATOM 1559 C ARG A 104 9.536 23.075 5.955 1.00 0.00 C ATOM 1560 O ARG A 104 10.042 23.728 5.042 1.00 0.00 O ATOM 1561 CB ARG A 104 7.583 21.882 4.940 1.00 0.00 C ATOM 1562 CG ARG A 104 7.711 22.647 3.632 1.00 0.00 C ATOM 1563 CD ARG A 104 6.408 22.636 2.847 1.00 0.00 C ATOM 1564 NE ARG A 104 6.531 21.894 1.594 1.00 0.00 N ATOM 1565 CZ ARG A 104 7.118 22.377 0.501 1.00 0.00 C ATOM 1566 NH1 ARG A 104 7.634 23.600 0.502 1.00 0.00 N ATOM 1567 NH2 ARG A 104 7.187 21.636 -0.596 1.00 0.00 N ATOM 0 H ARG A 104 7.874 21.240 7.441 1.00 0.00 H new ATOM 0 HA ARG A 104 9.599 21.139 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.159 20.899 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.880 22.404 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.003 23.677 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.504 22.206 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.621 22.191 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 104 6.105 23.661 2.633 1.00 0.00 H new ATOM 0 HE ARG A 104 6.145 20.951 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.582 24.175 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 104 8.083 23.965 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.790 20.696 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.637 22.006 -1.434 1.00 0.00 H new ATOM 1581 N GLY A 105 9.503 23.503 7.215 1.00 0.00 N ATOM 1582 CA GLY A 105 10.075 24.788 7.575 1.00 0.00 C ATOM 1583 C GLY A 105 9.040 25.778 8.079 1.00 0.00 C ATOM 1584 O GLY A 105 9.382 26.893 8.469 1.00 0.00 O ATOM 0 H GLY A 105 9.091 22.984 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.833 24.639 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.581 25.210 6.707 1.00 0.00 H new ATOM 1588 N ILE A 106 7.771 25.377 8.070 1.00 0.00 N ATOM 1589 CA ILE A 106 6.695 26.246 8.531 1.00 0.00 C ATOM 1590 C ILE A 106 6.110 25.745 9.846 1.00 0.00 C ATOM 1591 O ILE A 106 5.045 25.128 9.870 1.00 0.00 O ATOM 1592 CB ILE A 106 5.569 26.351 7.484 1.00 0.00 C ATOM 1593 CG1 ILE A 106 6.149 26.674 6.105 1.00 0.00 C ATOM 1594 CG2 ILE A 106 4.555 27.407 7.900 1.00 0.00 C ATOM 1595 CD1 ILE A 106 5.652 25.754 5.011 1.00 0.00 C ATOM 0 H ILE A 106 7.465 24.458 7.749 1.00 0.00 H new ATOM 0 HA ILE A 106 7.129 27.234 8.684 1.00 0.00 H new ATOM 0 HB ILE A 106 5.059 25.389 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.898 27.703 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.236 26.614 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.766 27.469 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.121 27.135 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.051 28.374 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.104 26.041 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.926 24.726 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.567 25.832 4.935 1.00 0.00 H new ATOM 1607 N THR A 107 6.814 26.014 10.941 1.00 0.00 N ATOM 1608 CA THR A 107 6.366 25.591 12.262 1.00 0.00 C ATOM 1609 C THR A 107 5.341 26.567 12.828 1.00 0.00 C ATOM 1610 O THR A 107 5.696 27.542 13.491 1.00 0.00 O ATOM 1611 CB THR A 107 7.557 25.474 13.214 1.00 0.00 C ATOM 1612 OG1 THR A 107 7.119 25.213 14.535 1.00 0.00 O ATOM 1613 CG2 THR A 107 8.416 26.720 13.251 1.00 0.00 C ATOM 0 H THR A 107 7.698 26.523 10.939 1.00 0.00 H new ATOM 0 HA THR A 107 5.893 24.614 12.162 1.00 0.00 H new ATOM 0 HB THR A 107 8.157 24.650 12.828 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.895 25.140 15.129 1.00 0.00 H new ATOM 0 HG21 THR A 107 9.243 26.571 13.945 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.810 26.920 12.255 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.814 27.567 13.580 1.00 0.00 H new ATOM 1621 N PHE A 108 4.066 26.298 12.562 1.00 0.00 N ATOM 1622 CA PHE A 108 2.985 27.152 13.046 1.00 0.00 C ATOM 1623 C PHE A 108 3.056 27.323 14.561 1.00 0.00 C ATOM 1624 O PHE A 108 3.965 26.809 15.212 1.00 0.00 O ATOM 1625 CB PHE A 108 1.624 26.568 12.651 1.00 0.00 C ATOM 1626 CG PHE A 108 1.503 25.078 12.849 1.00 0.00 C ATOM 1627 CD1 PHE A 108 2.365 24.391 13.695 1.00 0.00 C ATOM 1628 CD2 PHE A 108 0.516 24.362 12.188 1.00 0.00 C ATOM 1629 CE1 PHE A 108 2.244 23.026 13.873 1.00 0.00 C ATOM 1630 CE2 PHE A 108 0.393 22.999 12.364 1.00 0.00 C ATOM 1631 CZ PHE A 108 1.257 22.330 13.207 1.00 0.00 C ATOM 0 H PHE A 108 3.756 25.496 12.014 1.00 0.00 H new ATOM 0 HA PHE A 108 3.101 28.132 12.583 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.847 27.064 13.233 1.00 0.00 H new ATOM 0 HB3 PHE A 108 1.434 26.799 11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.139 24.931 14.220 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.165 24.878 11.527 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.922 22.505 14.533 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.380 22.455 11.842 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.160 21.263 13.345 1.00 0.00 H new ATOM 1641 N LYS A 109 2.089 28.047 15.116 1.00 0.00 N ATOM 1642 CA LYS A 109 2.042 28.284 16.554 1.00 0.00 C ATOM 1643 C LYS A 109 0.599 28.411 17.034 1.00 0.00 C ATOM 1644 O LYS A 109 0.191 27.746 17.986 1.00 0.00 O ATOM 1645 CB LYS A 109 2.826 29.548 16.912 1.00 0.00 C ATOM 1646 CG LYS A 109 4.310 29.301 17.125 1.00 0.00 C ATOM 1647 CD LYS A 109 4.939 30.389 17.980 1.00 0.00 C ATOM 1648 CE LYS A 109 6.186 29.890 18.691 1.00 0.00 C ATOM 1649 NZ LYS A 109 5.913 29.538 20.111 1.00 0.00 N ATOM 0 H LYS A 109 1.328 28.479 14.592 1.00 0.00 H new ATOM 0 HA LYS A 109 2.500 27.431 17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.699 30.282 16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.404 29.983 17.818 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.454 28.332 17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.815 29.258 16.160 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.194 31.243 17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.215 30.739 18.716 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.576 29.016 18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.959 30.657 18.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.789 29.202 20.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.565 30.378 20.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.194 28.788 20.151 1.00 0.00 H new ATOM 1663 N GLN A 110 -0.167 29.269 16.367 1.00 0.00 N ATOM 1664 CA GLN A 110 -1.565 29.481 16.725 1.00 0.00 C ATOM 1665 C GLN A 110 -2.317 30.180 15.594 1.00 0.00 C ATOM 1666 O GLN A 110 -3.268 30.923 15.834 1.00 0.00 O ATOM 1667 CB GLN A 110 -1.663 30.303 18.012 1.00 0.00 C ATOM 1668 CG GLN A 110 -2.151 29.500 19.208 1.00 0.00 C ATOM 1669 CD GLN A 110 -3.294 30.178 19.939 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -3.978 31.039 19.386 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -3.508 29.790 21.192 1.00 0.00 N ATOM 0 H GLN A 110 0.156 29.828 15.577 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.026 28.507 16.891 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -0.684 30.723 18.241 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.339 31.142 17.847 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.473 28.514 18.872 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.323 29.346 19.900 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.917 29.073 21.612 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.263 30.210 21.734 1.00 0.00 H new ATOM 1680 N SER A 111 -1.885 29.935 14.361 1.00 0.00 N ATOM 1681 CA SER A 111 -2.520 30.540 13.194 1.00 0.00 C ATOM 1682 C SER A 111 -3.135 29.470 12.296 1.00 0.00 C ATOM 1683 O SER A 111 -4.205 29.669 11.720 1.00 0.00 O ATOM 1684 CB SER A 111 -1.504 31.372 12.406 1.00 0.00 C ATOM 1685 OG SER A 111 -1.974 32.695 12.209 1.00 0.00 O ATOM 0 H SER A 111 -1.099 29.323 14.144 1.00 0.00 H new ATOM 0 HA SER A 111 -3.318 31.196 13.542 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.555 31.395 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.314 30.902 11.441 1.00 0.00 H new ATOM 0 HG SER A 111 -1.308 33.207 11.705 1.00 0.00 H new ATOM 1691 N ALA A 112 -2.453 28.335 12.181 1.00 0.00 N ATOM 1692 CA ALA A 112 -2.935 27.234 11.358 1.00 0.00 C ATOM 1693 C ALA A 112 -3.581 26.154 12.219 1.00 0.00 C ATOM 1694 O ALA A 112 -2.890 25.335 12.824 1.00 0.00 O ATOM 1695 CB ALA A 112 -1.795 26.649 10.536 1.00 0.00 C ATOM 0 H ALA A 112 -1.564 28.155 12.648 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.692 27.623 10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.171 25.827 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.380 27.421 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.017 26.279 11.204 1.00 0.00 H new ATOM 1701 N THR A 113 -4.909 26.163 12.276 1.00 0.00 N ATOM 1702 CA THR A 113 -5.642 25.186 13.071 1.00 0.00 C ATOM 1703 C THR A 113 -5.779 23.861 12.329 1.00 0.00 C ATOM 1704 O THR A 113 -5.025 22.921 12.579 1.00 0.00 O ATOM 1705 CB THR A 113 -7.022 25.728 13.450 1.00 0.00 C ATOM 1706 OG1 THR A 113 -7.239 27.006 12.877 1.00 0.00 O ATOM 1707 CG2 THR A 113 -7.214 25.856 14.944 1.00 0.00 C ATOM 0 H THR A 113 -5.497 26.834 11.782 1.00 0.00 H new ATOM 0 HA THR A 113 -5.074 25.005 13.983 1.00 0.00 H new ATOM 0 HB THR A 113 -7.737 25.001 13.063 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.128 27.332 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.211 26.245 15.151 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.103 24.877 15.410 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.467 26.538 15.350 1.00 0.00 H new ATOM 1715 N LYS A 114 -6.744 23.785 11.416 1.00 0.00 N ATOM 1716 CA LYS A 114 -6.961 22.562 10.654 1.00 0.00 C ATOM 1717 C LYS A 114 -7.358 22.858 9.213 1.00 0.00 C ATOM 1718 O LYS A 114 -6.926 22.171 8.289 1.00 0.00 O ATOM 1719 CB LYS A 114 -8.026 21.691 11.325 1.00 0.00 C ATOM 1720 CG LYS A 114 -9.351 22.404 11.542 1.00 0.00 C ATOM 1721 CD LYS A 114 -10.482 21.417 11.778 1.00 0.00 C ATOM 1722 CE LYS A 114 -11.177 21.045 10.478 1.00 0.00 C ATOM 1723 NZ LYS A 114 -12.592 20.639 10.699 1.00 0.00 N ATOM 0 H LYS A 114 -7.381 24.548 11.189 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.016 22.018 10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.196 20.805 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.647 21.346 12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.268 23.076 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.580 23.021 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.089 20.518 12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.206 21.850 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.146 21.893 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.636 20.229 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.029 20.394 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.622 19.813 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.115 21.426 11.133 1.00 0.00 H new ATOM 1737 N ALA A 115 -8.176 23.879 9.020 1.00 0.00 N ATOM 1738 CA ALA A 115 -8.606 24.249 7.682 1.00 0.00 C ATOM 1739 C ALA A 115 -7.537 25.083 6.990 1.00 0.00 C ATOM 1740 O ALA A 115 -7.484 25.149 5.762 1.00 0.00 O ATOM 1741 CB ALA A 115 -9.924 25.006 7.738 1.00 0.00 C ATOM 0 H ALA A 115 -8.553 24.463 9.767 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.758 23.338 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.232 25.276 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.687 24.375 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.799 25.911 8.333 1.00 0.00 H new ATOM 1747 N GLU A 116 -6.687 25.720 7.787 1.00 0.00 N ATOM 1748 CA GLU A 116 -5.617 26.552 7.254 1.00 0.00 C ATOM 1749 C GLU A 116 -4.373 25.733 6.929 1.00 0.00 C ATOM 1750 O GLU A 116 -3.679 26.012 5.952 1.00 0.00 O ATOM 1751 CB GLU A 116 -5.269 27.667 8.241 1.00 0.00 C ATOM 1752 CG GLU A 116 -6.482 28.419 8.762 1.00 0.00 C ATOM 1753 CD GLU A 116 -6.328 29.923 8.655 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.937 30.405 7.571 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -6.596 30.621 9.656 1.00 0.00 O ATOM 0 H GLU A 116 -6.719 25.676 8.806 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.977 26.994 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.728 27.238 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.595 28.373 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.365 28.108 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.652 28.148 9.804 1.00 0.00 H new ATOM 1762 N LEU A 117 -4.081 24.731 7.755 1.00 0.00 N ATOM 1763 CA LEU A 117 -2.903 23.899 7.533 1.00 0.00 C ATOM 1764 C LEU A 117 -3.168 22.833 6.484 1.00 0.00 C ATOM 1765 O LEU A 117 -2.240 22.337 5.846 1.00 0.00 O ATOM 1766 CB LEU A 117 -2.388 23.292 8.853 1.00 0.00 C ATOM 1767 CG LEU A 117 -2.929 21.922 9.284 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -2.696 21.721 10.770 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -4.399 21.770 8.972 1.00 0.00 C ATOM 0 H LEU A 117 -4.636 24.478 8.573 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.112 24.541 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.303 23.214 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.605 24.001 9.652 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.391 21.162 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.082 20.747 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.628 21.769 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.211 22.503 11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.739 20.786 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.964 22.539 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.556 21.875 7.898 1.00 0.00 H new ATOM 1781 N ILE A 118 -4.437 22.498 6.283 1.00 0.00 N ATOM 1782 CA ILE A 118 -4.787 21.512 5.282 1.00 0.00 C ATOM 1783 C ILE A 118 -4.897 22.175 3.908 1.00 0.00 C ATOM 1784 O ILE A 118 -4.648 21.543 2.882 1.00 0.00 O ATOM 1785 CB ILE A 118 -6.094 20.750 5.639 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -6.175 19.433 4.857 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -7.340 21.594 5.390 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -6.473 19.611 3.384 1.00 0.00 C ATOM 0 H ILE A 118 -5.227 22.891 6.795 1.00 0.00 H new ATOM 0 HA ILE A 118 -3.989 20.770 5.255 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.060 20.531 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.231 18.899 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.948 18.805 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.228 21.019 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.297 22.496 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.387 21.871 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.514 18.635 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.432 20.116 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.688 20.211 2.924 1.00 0.00 H new ATOM 1800 N ALA A 119 -5.244 23.466 3.902 1.00 0.00 N ATOM 1801 CA ALA A 119 -5.358 24.227 2.665 1.00 0.00 C ATOM 1802 C ALA A 119 -4.016 24.830 2.275 1.00 0.00 C ATOM 1803 O ALA A 119 -3.705 24.984 1.094 1.00 0.00 O ATOM 1804 CB ALA A 119 -6.414 25.314 2.803 1.00 0.00 C ATOM 0 H ALA A 119 -5.450 24.002 4.745 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.666 23.545 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.486 25.872 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.378 24.858 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.136 25.991 3.610 1.00 0.00 H new ATOM 1810 N LEU A 120 -3.230 25.188 3.288 1.00 0.00 N ATOM 1811 CA LEU A 120 -1.922 25.798 3.082 1.00 0.00 C ATOM 1812 C LEU A 120 -1.086 25.013 2.077 1.00 0.00 C ATOM 1813 O LEU A 120 -0.551 25.585 1.130 1.00 0.00 O ATOM 1814 CB LEU A 120 -1.179 25.910 4.418 1.00 0.00 C ATOM 1815 CG LEU A 120 0.294 26.323 4.327 1.00 0.00 C ATOM 1816 CD1 LEU A 120 1.160 25.125 3.975 1.00 0.00 C ATOM 1817 CD2 LEU A 120 0.480 27.439 3.307 1.00 0.00 C ATOM 0 H LEU A 120 -3.481 25.064 4.269 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.079 26.795 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.702 26.633 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.237 24.948 4.927 1.00 0.00 H new ATOM 0 HG LEU A 120 0.606 26.699 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.203 25.435 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.053 24.360 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.846 24.719 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.533 27.716 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.150 27.095 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.110 28.306 3.604 1.00 0.00 H new ATOM 1829 N PHE A 121 -0.967 23.704 2.290 1.00 0.00 N ATOM 1830 CA PHE A 121 -0.184 22.858 1.395 1.00 0.00 C ATOM 1831 C PHE A 121 -0.709 22.943 -0.036 1.00 0.00 C ATOM 1832 O PHE A 121 -1.481 22.090 -0.474 1.00 0.00 O ATOM 1833 CB PHE A 121 -0.223 21.408 1.864 1.00 0.00 C ATOM 1834 CG PHE A 121 0.728 21.110 2.983 1.00 0.00 C ATOM 1835 CD1 PHE A 121 2.051 20.788 2.725 1.00 0.00 C ATOM 1836 CD2 PHE A 121 0.294 21.138 4.294 1.00 0.00 C ATOM 1837 CE1 PHE A 121 2.920 20.502 3.758 1.00 0.00 C ATOM 1838 CE2 PHE A 121 1.154 20.853 5.327 1.00 0.00 C ATOM 1839 CZ PHE A 121 2.470 20.533 5.060 1.00 0.00 C ATOM 0 H PHE A 121 -1.400 23.210 3.070 1.00 0.00 H new ATOM 0 HA PHE A 121 0.845 23.217 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.236 21.167 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.007 20.757 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.405 20.761 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -0.734 21.387 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.950 20.255 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 121 0.801 20.879 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 121 3.146 20.307 5.871 1.00 0.00 H new