USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 715 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 12 SER OG : rot -22:sc= -0.0396 USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= -2.19 USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.0481 (180deg=-0.55) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-0.94) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -168:sc= 0.245 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.425 USER MOD Single : A 44 MET CE :methyl 159:sc= -2.08 (180deg=-3.49) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0714 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 162:sc= -0.677 USER MOD Single : A 56 SER OG : rot -123:sc= 0.272 USER MOD Single : A 61 GLN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.85 K(o=-0.85,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot -79:sc= 0.297! USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.046) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 92 TYR OH : rot 175:sc= -0.682 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.649 14.627 20.900 1.00 0.00 N ATOM 2 CA VAL A 1 8.884 15.589 21.742 1.00 0.00 C ATOM 3 C VAL A 1 8.630 14.993 23.121 1.00 0.00 C ATOM 4 O VAL A 1 7.585 14.387 23.360 1.00 0.00 O ATOM 5 CB VAL A 1 7.554 15.948 21.086 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.779 16.937 21.952 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.783 16.522 19.691 1.00 0.00 C ATOM 0 H1 VAL A 1 10.091 15.135 20.107 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.387 14.173 21.475 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.004 13.901 20.529 1.00 0.00 H new ATOM 0 HA VAL A 1 9.479 16.497 21.844 1.00 0.00 H new ATOM 0 HB VAL A 1 6.961 15.038 20.990 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.833 17.181 21.468 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.583 16.491 22.927 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.366 17.846 22.080 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.823 16.772 19.238 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.395 17.421 19.763 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.294 15.784 19.073 1.00 0.00 H new ATOM 19 N PRO A 2 9.586 15.160 24.050 1.00 0.00 N ATOM 20 CA PRO A 2 9.460 14.635 25.417 1.00 0.00 C ATOM 21 C PRO A 2 8.484 15.455 26.255 1.00 0.00 C ATOM 22 O PRO A 2 7.777 16.317 25.733 1.00 0.00 O ATOM 23 CB PRO A 2 10.871 14.730 25.980 1.00 0.00 C ATOM 24 CG PRO A 2 11.539 15.814 25.198 1.00 0.00 C ATOM 25 CD PRO A 2 10.861 15.873 23.850 1.00 0.00 C ATOM 0 HA PRO A 2 9.064 13.619 25.429 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.854 14.966 27.044 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.401 13.784 25.872 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.453 16.770 25.714 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.603 15.607 25.085 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.695 16.903 23.533 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.466 15.396 23.079 1.00 0.00 H new ATOM 33 N LYS A 3 8.449 15.183 27.556 1.00 0.00 N ATOM 34 CA LYS A 3 7.556 15.897 28.463 1.00 0.00 C ATOM 35 C LYS A 3 8.343 16.506 29.617 1.00 0.00 C ATOM 36 O LYS A 3 8.310 15.997 30.737 1.00 0.00 O ATOM 37 CB LYS A 3 6.495 14.945 29.006 1.00 0.00 C ATOM 38 CG LYS A 3 5.591 14.427 27.891 1.00 0.00 C ATOM 39 CD LYS A 3 4.586 13.411 28.423 1.00 0.00 C ATOM 40 CE LYS A 3 3.176 13.993 28.460 1.00 0.00 C ATOM 41 NZ LYS A 3 2.447 13.565 29.688 1.00 0.00 N ATOM 0 H LYS A 3 9.028 14.474 28.006 1.00 0.00 H new ATOM 0 HA LYS A 3 7.069 16.700 27.910 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.978 14.105 29.505 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.893 15.458 29.756 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.060 15.261 27.432 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.198 13.968 27.111 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.598 12.521 27.794 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.879 13.097 29.425 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.228 15.081 28.426 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.624 13.672 27.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.492 13.976 29.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.378 12.527 29.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.963 13.893 30.530 1.00 0.00 H new ATOM 55 N VAL A 4 9.051 17.601 29.335 1.00 0.00 N ATOM 56 CA VAL A 4 9.855 18.299 30.343 1.00 0.00 C ATOM 57 C VAL A 4 10.595 17.308 31.240 1.00 0.00 C ATOM 58 O VAL A 4 10.722 16.127 30.915 1.00 0.00 O ATOM 59 CB VAL A 4 8.957 19.259 31.152 1.00 0.00 C ATOM 60 CG1 VAL A 4 8.364 18.609 32.407 1.00 0.00 C ATOM 61 CG2 VAL A 4 9.723 20.530 31.515 1.00 0.00 C ATOM 0 H VAL A 4 9.084 18.027 28.409 1.00 0.00 H new ATOM 0 HA VAL A 4 10.619 18.894 29.842 1.00 0.00 H new ATOM 0 HB VAL A 4 8.116 19.518 30.509 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.743 19.334 32.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.757 17.751 32.120 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.171 18.280 33.062 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.075 21.195 32.085 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.595 20.270 32.116 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.047 21.032 30.604 1.00 0.00 H new ATOM 71 N THR A 5 11.080 17.806 32.363 1.00 0.00 N ATOM 72 CA THR A 5 11.816 16.978 33.317 1.00 0.00 C ATOM 73 C THR A 5 12.151 17.757 34.587 1.00 0.00 C ATOM 74 O THR A 5 12.157 17.197 35.683 1.00 0.00 O ATOM 75 CB THR A 5 13.102 16.471 32.674 1.00 0.00 C ATOM 76 OG1 THR A 5 13.533 17.377 31.671 1.00 0.00 O ATOM 77 CG2 THR A 5 12.898 15.082 32.075 1.00 0.00 C ATOM 0 H THR A 5 10.980 18.782 32.642 1.00 0.00 H new ATOM 0 HA THR A 5 11.182 16.135 33.592 1.00 0.00 H new ATOM 0 HB THR A 5 13.869 16.401 33.446 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.360 17.045 31.264 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.829 14.741 31.622 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.601 14.387 32.860 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.119 15.125 31.314 1.00 0.00 H new ATOM 85 N PHE A 6 12.443 19.046 34.432 1.00 0.00 N ATOM 86 CA PHE A 6 12.794 19.904 35.562 1.00 0.00 C ATOM 87 C PHE A 6 14.123 19.464 36.164 1.00 0.00 C ATOM 88 O PHE A 6 14.528 18.311 36.021 1.00 0.00 O ATOM 89 CB PHE A 6 11.702 19.860 36.626 1.00 0.00 C ATOM 90 CG PHE A 6 10.356 20.305 36.112 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.993 21.640 36.182 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.478 19.378 35.575 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.754 22.048 35.715 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.239 19.785 35.108 1.00 0.00 C ATOM 95 CZ PHE A 6 7.877 21.120 35.178 1.00 0.00 C ATOM 0 H PHE A 6 12.443 19.522 33.530 1.00 0.00 H new ATOM 0 HA PHE A 6 12.889 20.928 35.200 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.619 18.844 37.011 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.993 20.495 37.463 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.677 22.364 36.601 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.760 18.337 35.520 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.472 23.089 35.770 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.555 19.061 34.689 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.911 21.437 34.814 1.00 0.00 H new ATOM 105 N THR A 7 14.801 20.389 36.839 1.00 0.00 N ATOM 106 CA THR A 7 16.087 20.091 37.461 1.00 0.00 C ATOM 107 C THR A 7 16.447 21.160 38.484 1.00 0.00 C ATOM 108 O THR A 7 16.613 22.331 38.141 1.00 0.00 O ATOM 109 CB THR A 7 17.175 20.010 36.394 1.00 0.00 C ATOM 110 OG1 THR A 7 16.586 19.844 35.113 1.00 0.00 O ATOM 111 CG2 THR A 7 18.134 18.857 36.682 1.00 0.00 C ATOM 0 H THR A 7 14.482 21.349 36.969 1.00 0.00 H new ATOM 0 HA THR A 7 16.010 19.131 37.971 1.00 0.00 H new ATOM 0 HB THR A 7 17.743 20.940 36.411 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.290 19.794 34.433 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.901 18.819 35.908 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.606 19.010 37.653 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.581 17.918 36.691 1.00 0.00 H new ATOM 119 N VAL A 8 16.569 20.750 39.742 1.00 0.00 N ATOM 120 CA VAL A 8 16.914 21.672 40.819 1.00 0.00 C ATOM 121 C VAL A 8 18.310 22.237 40.597 1.00 0.00 C ATOM 122 O VAL A 8 19.311 21.573 40.868 1.00 0.00 O ATOM 123 CB VAL A 8 16.849 20.952 42.163 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.240 21.896 43.296 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.452 20.383 42.397 1.00 0.00 C ATOM 0 H VAL A 8 16.434 19.784 40.041 1.00 0.00 H new ATOM 0 HA VAL A 8 16.198 22.494 40.823 1.00 0.00 H new ATOM 0 HB VAL A 8 17.559 20.125 42.145 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.188 21.365 44.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.257 22.255 43.136 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.555 22.744 43.316 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.423 19.873 43.360 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.724 21.194 42.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.210 19.675 41.604 1.00 0.00 H new ATOM 135 N GLU A 9 18.371 23.466 40.096 1.00 0.00 N ATOM 136 CA GLU A 9 19.645 24.124 39.829 1.00 0.00 C ATOM 137 C GLU A 9 20.410 24.362 41.124 1.00 0.00 C ATOM 138 O GLU A 9 19.838 24.316 42.214 1.00 0.00 O ATOM 139 CB GLU A 9 19.405 25.453 39.120 1.00 0.00 C ATOM 140 CG GLU A 9 19.244 25.256 37.616 1.00 0.00 C ATOM 141 CD GLU A 9 20.532 25.627 36.894 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.598 25.638 37.545 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.474 25.906 35.678 1.00 0.00 O ATOM 0 H GLU A 9 17.551 24.028 39.866 1.00 0.00 H new ATOM 0 HA GLU A 9 20.241 23.474 39.188 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.511 25.928 39.525 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.239 26.127 39.314 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.986 24.218 37.404 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.423 25.871 37.248 1.00 0.00 H new ATOM 150 N LYS A 10 21.707 24.623 40.995 1.00 0.00 N ATOM 151 CA LYS A 10 22.559 24.876 42.151 1.00 0.00 C ATOM 152 C LYS A 10 22.370 26.307 42.639 1.00 0.00 C ATOM 153 O LYS A 10 22.893 27.250 42.044 1.00 0.00 O ATOM 154 CB LYS A 10 24.020 24.641 41.780 1.00 0.00 C ATOM 155 CG LYS A 10 24.884 24.451 43.024 1.00 0.00 C ATOM 156 CD LYS A 10 26.360 24.332 42.658 1.00 0.00 C ATOM 157 CE LYS A 10 27.242 24.354 43.903 1.00 0.00 C ATOM 158 NZ LYS A 10 28.396 23.420 43.766 1.00 0.00 N ATOM 0 H LYS A 10 22.192 24.665 40.099 1.00 0.00 H new ATOM 0 HA LYS A 10 22.280 24.191 42.952 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.098 23.761 41.142 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.391 25.487 41.202 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.741 25.293 43.701 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.566 23.555 43.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.527 23.406 42.107 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.640 25.152 41.996 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.609 25.366 44.073 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.650 24.078 44.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.977 23.457 44.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.044 22.451 43.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.973 23.699 42.947 1.00 0.00 H new ATOM 172 N GLY A 11 21.617 26.464 43.722 1.00 0.00 N ATOM 173 CA GLY A 11 21.355 27.783 44.288 1.00 0.00 C ATOM 174 C GLY A 11 20.436 27.681 45.498 1.00 0.00 C ATOM 175 O GLY A 11 20.581 28.431 46.463 1.00 0.00 O ATOM 0 H GLY A 11 21.177 25.694 44.226 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.295 28.252 44.579 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.899 28.423 43.533 1.00 0.00 H new ATOM 179 N SER A 12 19.487 26.750 45.441 1.00 0.00 N ATOM 180 CA SER A 12 18.538 26.549 46.534 1.00 0.00 C ATOM 181 C SER A 12 19.266 26.475 47.871 1.00 0.00 C ATOM 182 O SER A 12 20.244 25.741 48.017 1.00 0.00 O ATOM 183 CB SER A 12 17.748 25.264 46.303 1.00 0.00 C ATOM 184 OG SER A 12 16.474 25.556 45.750 1.00 0.00 O ATOM 0 H SER A 12 19.354 26.122 44.648 1.00 0.00 H new ATOM 0 HA SER A 12 17.853 27.396 46.559 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.300 24.606 45.632 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.628 24.730 47.245 1.00 0.00 H new ATOM 0 HG SER A 12 16.236 26.485 45.950 1.00 0.00 H new ATOM 190 N ASN A 13 18.784 27.240 48.844 1.00 0.00 N ATOM 191 CA ASN A 13 19.388 27.263 50.172 1.00 0.00 C ATOM 192 C ASN A 13 18.350 26.920 51.232 1.00 0.00 C ATOM 193 O ASN A 13 18.430 25.876 51.878 1.00 0.00 O ATOM 194 CB ASN A 13 19.980 28.641 50.452 1.00 0.00 C ATOM 195 CG ASN A 13 20.772 29.132 49.247 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.811 28.568 48.902 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.281 30.185 48.604 1.00 0.00 N ATOM 0 H ASN A 13 17.976 27.853 48.738 1.00 0.00 H new ATOM 0 HA ASN A 13 20.183 26.519 50.206 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.182 29.347 50.683 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.628 28.595 51.327 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.768 30.558 47.789 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.417 30.621 48.925 1.00 0.00 H new ATOM 204 N GLU A 14 17.376 27.808 51.407 1.00 0.00 N ATOM 205 CA GLU A 14 16.318 27.604 52.391 1.00 0.00 C ATOM 206 C GLU A 14 14.954 27.607 51.713 1.00 0.00 C ATOM 207 O GLU A 14 14.360 26.553 51.488 1.00 0.00 O ATOM 208 CB GLU A 14 16.374 28.701 53.450 1.00 0.00 C ATOM 209 CG GLU A 14 17.558 28.503 54.392 1.00 0.00 C ATOM 210 CD GLU A 14 17.081 27.965 55.734 1.00 0.00 C ATOM 211 OE1 GLU A 14 15.961 27.415 55.791 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.827 28.095 56.727 1.00 0.00 O ATOM 0 H GLU A 14 17.297 28.677 50.879 1.00 0.00 H new ATOM 0 HA GLU A 14 16.468 26.636 52.869 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.451 29.674 52.965 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.447 28.704 54.023 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.273 27.810 53.948 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.079 29.450 54.536 1.00 0.00 H new ATOM 219 N LYS A 15 14.459 28.799 51.393 1.00 0.00 N ATOM 220 CA LYS A 15 13.160 28.938 50.742 1.00 0.00 C ATOM 221 C LYS A 15 13.326 29.083 49.234 1.00 0.00 C ATOM 222 O LYS A 15 12.418 28.763 48.467 1.00 0.00 O ATOM 223 CB LYS A 15 12.419 30.148 51.309 1.00 0.00 C ATOM 224 CG LYS A 15 13.127 31.455 50.959 1.00 0.00 C ATOM 225 CD LYS A 15 13.876 32.020 52.164 1.00 0.00 C ATOM 226 CE LYS A 15 12.913 32.414 53.280 1.00 0.00 C ATOM 227 NZ LYS A 15 13.281 31.762 54.568 1.00 0.00 N ATOM 0 H LYS A 15 14.937 29.682 51.574 1.00 0.00 H new ATOM 0 HA LYS A 15 12.576 28.039 50.938 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.402 30.168 50.918 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.342 30.054 52.392 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.826 31.284 50.141 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.397 32.184 50.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.583 31.278 52.536 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.457 32.890 51.858 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.919 33.497 53.403 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.897 32.131 53.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.608 32.049 55.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.251 30.729 54.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.241 32.052 54.842 1.00 0.00 H new ATOM 241 N HIS A 16 14.492 29.564 48.811 1.00 0.00 N ATOM 242 CA HIS A 16 14.774 29.747 47.391 1.00 0.00 C ATOM 243 C HIS A 16 14.753 28.404 46.675 1.00 0.00 C ATOM 244 O HIS A 16 15.536 27.508 46.993 1.00 0.00 O ATOM 245 CB HIS A 16 16.136 30.412 47.212 1.00 0.00 C ATOM 246 CG HIS A 16 16.044 31.901 47.084 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.899 32.742 48.157 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.080 32.720 46.001 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.847 33.996 47.769 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.956 34.022 46.451 1.00 0.00 N ATOM 0 H HIS A 16 15.256 29.834 49.431 1.00 0.00 H new ATOM 0 HA HIS A 16 14.006 30.388 46.959 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.771 30.164 48.063 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.620 30.005 46.324 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.186 32.410 44.972 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.735 34.855 48.413 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.950 34.858 45.867 1.00 0.00 H new ATOM 258 N LEU A 17 13.852 28.266 45.708 1.00 0.00 N ATOM 259 CA LEU A 17 13.728 27.026 44.948 1.00 0.00 C ATOM 260 C LEU A 17 14.114 27.253 43.492 1.00 0.00 C ATOM 261 O LEU A 17 13.303 27.712 42.687 1.00 0.00 O ATOM 262 CB LEU A 17 12.295 26.503 45.037 1.00 0.00 C ATOM 263 CG LEU A 17 12.255 24.982 45.174 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.745 24.313 43.893 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.088 24.527 46.370 1.00 0.00 C ATOM 0 H LEU A 17 13.197 28.997 45.432 1.00 0.00 H new ATOM 0 HA LEU A 17 14.405 26.285 45.374 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.794 26.958 45.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.742 26.803 44.146 1.00 0.00 H new ATOM 0 HG LEU A 17 11.221 24.682 45.343 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.709 23.230 44.011 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.106 24.609 43.061 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.771 24.622 43.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.046 23.441 46.450 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.123 24.842 46.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.690 24.974 47.281 1.00 0.00 H new ATOM 277 N ALA A 18 15.360 26.929 43.162 1.00 0.00 N ATOM 278 CA ALA A 18 15.865 27.095 41.802 1.00 0.00 C ATOM 279 C ALA A 18 15.713 25.798 41.018 1.00 0.00 C ATOM 280 O ALA A 18 16.093 24.727 41.491 1.00 0.00 O ATOM 281 CB ALA A 18 17.334 27.507 41.841 1.00 0.00 C ATOM 0 H ALA A 18 16.041 26.549 43.819 1.00 0.00 H new ATOM 0 HA ALA A 18 15.286 27.874 41.306 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.705 27.629 40.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.433 28.450 42.379 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.915 26.737 42.349 1.00 0.00 H new ATOM 287 N VAL A 19 15.158 25.902 39.816 1.00 0.00 N ATOM 288 CA VAL A 19 14.956 24.738 38.961 1.00 0.00 C ATOM 289 C VAL A 19 15.602 24.964 37.601 1.00 0.00 C ATOM 290 O VAL A 19 16.265 25.975 37.379 1.00 0.00 O ATOM 291 CB VAL A 19 13.462 24.467 38.795 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.797 24.303 40.158 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.792 25.590 38.005 1.00 0.00 C ATOM 0 H VAL A 19 14.839 26.782 39.411 1.00 0.00 H new ATOM 0 HA VAL A 19 15.424 23.872 39.429 1.00 0.00 H new ATOM 0 HB VAL A 19 13.343 23.539 38.236 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.733 24.110 40.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.253 23.466 40.687 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.930 25.215 40.740 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.729 25.376 37.899 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.921 26.534 38.534 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.248 25.662 37.017 1.00 0.00 H new ATOM 303 N LEU A 20 15.401 24.017 36.694 1.00 0.00 N ATOM 304 CA LEU A 20 15.962 24.112 35.351 1.00 0.00 C ATOM 305 C LEU A 20 14.911 23.739 34.314 1.00 0.00 C ATOM 306 O LEU A 20 14.995 22.688 33.679 1.00 0.00 O ATOM 307 CB LEU A 20 17.174 23.195 35.226 1.00 0.00 C ATOM 308 CG LEU A 20 18.252 23.815 34.340 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.594 23.128 34.569 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.854 23.731 32.869 1.00 0.00 C ATOM 0 H LEU A 20 14.853 23.173 36.863 1.00 0.00 H new ATOM 0 HA LEU A 20 16.278 25.140 35.173 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.585 22.995 36.216 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.865 22.236 34.809 1.00 0.00 H new ATOM 0 HG LEU A 20 18.352 24.866 34.609 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.350 23.583 33.929 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.887 23.240 35.613 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.506 22.068 34.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.635 24.178 32.255 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.723 22.686 32.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.918 24.268 32.714 1.00 0.00 H new ATOM 322 N VAL A 21 13.918 24.608 34.150 1.00 0.00 N ATOM 323 CA VAL A 21 12.841 24.374 33.193 1.00 0.00 C ATOM 324 C VAL A 21 13.239 24.876 31.810 1.00 0.00 C ATOM 325 O VAL A 21 13.222 26.078 31.549 1.00 0.00 O ATOM 326 CB VAL A 21 11.570 25.084 33.651 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.365 24.580 32.862 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.348 24.889 35.149 1.00 0.00 C ATOM 0 H VAL A 21 13.837 25.483 34.669 1.00 0.00 H new ATOM 0 HA VAL A 21 12.654 23.301 33.139 1.00 0.00 H new ATOM 0 HB VAL A 21 11.688 26.151 33.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.467 25.096 33.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.517 24.775 31.801 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.249 23.508 33.020 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.436 25.404 35.452 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.253 23.825 35.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.196 25.298 35.699 1.00 0.00 H new ATOM 338 N LYS A 22 13.591 23.947 30.926 1.00 0.00 N ATOM 339 CA LYS A 22 13.990 24.295 29.565 1.00 0.00 C ATOM 340 C LYS A 22 14.426 23.049 28.804 1.00 0.00 C ATOM 341 O LYS A 22 15.221 22.252 29.302 1.00 0.00 O ATOM 342 CB LYS A 22 15.129 25.310 29.594 1.00 0.00 C ATOM 343 CG LYS A 22 16.297 24.808 30.438 1.00 0.00 C ATOM 344 CD LYS A 22 17.628 25.016 29.720 1.00 0.00 C ATOM 345 CE LYS A 22 17.640 24.319 28.363 1.00 0.00 C ATOM 346 NZ LYS A 22 19.014 23.874 27.996 1.00 0.00 N ATOM 0 H LYS A 22 13.608 22.947 31.127 1.00 0.00 H new ATOM 0 HA LYS A 22 13.133 24.736 29.056 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.470 25.506 28.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.766 26.256 29.997 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.310 25.333 31.393 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.161 23.749 30.658 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.808 26.083 29.585 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.440 24.631 30.336 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.971 23.459 28.388 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.259 24.997 27.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.990 23.404 27.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.645 24.699 27.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.366 23.208 28.713 1.00 0.00 H new ATOM 360 N TYR A 23 13.903 22.890 27.593 1.00 0.00 N ATOM 361 CA TYR A 23 14.238 21.742 26.756 1.00 0.00 C ATOM 362 C TYR A 23 14.131 22.114 25.283 1.00 0.00 C ATOM 363 O TYR A 23 13.454 23.077 24.924 1.00 0.00 O ATOM 364 CB TYR A 23 13.304 20.576 27.067 1.00 0.00 C ATOM 365 CG TYR A 23 11.852 20.975 27.088 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.211 21.322 25.912 1.00 0.00 C ATOM 367 CD2 TYR A 23 11.156 20.994 28.284 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.876 21.688 25.932 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.822 21.360 28.303 1.00 0.00 C ATOM 370 CZ TYR A 23 9.187 21.705 27.127 1.00 0.00 C ATOM 371 OH TYR A 23 7.861 22.069 27.147 1.00 0.00 O ATOM 0 H TYR A 23 13.244 23.542 27.168 1.00 0.00 H new ATOM 0 HA TYR A 23 15.264 21.442 26.970 1.00 0.00 H new ATOM 0 HB2 TYR A 23 13.449 19.793 26.323 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.572 20.151 28.034 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.753 21.307 24.978 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.654 20.723 29.203 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.375 21.960 25.014 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.279 21.376 29.236 1.00 0.00 H new ATOM 0 HH TYR A 23 7.576 22.215 28.073 1.00 0.00 H new ATOM 381 N GLU A 24 14.805 21.346 24.433 1.00 0.00 N ATOM 382 CA GLU A 24 14.786 21.596 22.996 1.00 0.00 C ATOM 383 C GLU A 24 13.450 21.172 22.401 1.00 0.00 C ATOM 384 O GLU A 24 13.101 19.991 22.411 1.00 0.00 O ATOM 385 CB GLU A 24 15.923 20.833 22.321 1.00 0.00 C ATOM 386 CG GLU A 24 16.442 21.582 21.096 1.00 0.00 C ATOM 387 CD GLU A 24 17.679 22.393 21.458 1.00 0.00 C ATOM 388 OE1 GLU A 24 18.549 21.862 22.179 1.00 0.00 O ATOM 389 OE2 GLU A 24 17.776 23.559 21.019 1.00 0.00 O ATOM 0 H GLU A 24 15.371 20.545 24.714 1.00 0.00 H new ATOM 0 HA GLU A 24 14.920 22.664 22.825 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.737 20.685 23.031 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.574 19.844 22.025 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.682 20.874 20.303 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.666 22.243 20.709 1.00 0.00 H new ATOM 396 N GLY A 25 12.704 22.143 21.883 1.00 0.00 N ATOM 397 CA GLY A 25 11.401 21.873 21.283 1.00 0.00 C ATOM 398 C GLY A 25 10.521 23.116 21.322 1.00 0.00 C ATOM 399 O GLY A 25 10.422 23.849 20.339 1.00 0.00 O ATOM 0 H GLY A 25 12.980 23.125 21.867 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.531 21.546 20.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.911 21.058 21.816 1.00 0.00 H new ATOM 403 N ASP A 26 9.882 23.348 22.465 1.00 0.00 N ATOM 404 CA ASP A 26 9.007 24.504 22.635 1.00 0.00 C ATOM 405 C ASP A 26 9.826 25.745 22.967 1.00 0.00 C ATOM 406 O ASP A 26 11.047 25.755 22.811 1.00 0.00 O ATOM 407 CB ASP A 26 7.998 24.234 23.747 1.00 0.00 C ATOM 408 CG ASP A 26 6.578 24.346 23.210 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.219 25.427 22.696 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.826 23.353 23.303 1.00 0.00 O ATOM 0 H ASP A 26 9.954 22.750 23.288 1.00 0.00 H new ATOM 0 HA ASP A 26 8.472 24.678 21.701 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.160 23.239 24.161 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.144 24.945 24.560 1.00 0.00 H new ATOM 415 N THR A 27 9.148 26.793 23.425 1.00 0.00 N ATOM 416 CA THR A 27 9.815 28.042 23.779 1.00 0.00 C ATOM 417 C THR A 27 9.551 28.392 25.239 1.00 0.00 C ATOM 418 O THR A 27 8.800 27.701 25.928 1.00 0.00 O ATOM 419 CB THR A 27 9.328 29.173 22.875 1.00 0.00 C ATOM 420 OG1 THR A 27 8.383 28.678 21.938 1.00 0.00 O ATOM 421 CG2 THR A 27 10.498 29.822 22.143 1.00 0.00 C ATOM 0 H THR A 27 8.137 26.802 23.560 1.00 0.00 H new ATOM 0 HA THR A 27 10.888 27.913 23.639 1.00 0.00 H new ATOM 0 HB THR A 27 8.850 29.928 23.499 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.076 29.411 21.365 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.128 30.625 21.505 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.200 30.231 22.870 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.003 29.075 21.530 1.00 0.00 H new ATOM 429 N MET A 28 10.175 29.469 25.704 1.00 0.00 N ATOM 430 CA MET A 28 10.013 29.918 27.083 1.00 0.00 C ATOM 431 C MET A 28 9.187 31.195 27.131 1.00 0.00 C ATOM 432 O MET A 28 9.582 32.222 26.577 1.00 0.00 O ATOM 433 CB MET A 28 11.379 30.167 27.709 1.00 0.00 C ATOM 434 CG MET A 28 12.185 28.875 27.814 1.00 0.00 C ATOM 435 SD MET A 28 13.904 29.172 28.257 1.00 0.00 S ATOM 436 CE MET A 28 14.752 28.398 26.871 1.00 0.00 C ATOM 0 H MET A 28 10.800 30.049 25.144 1.00 0.00 H new ATOM 0 HA MET A 28 9.493 29.141 27.644 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.929 30.893 27.110 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.253 30.601 28.701 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.728 28.224 28.560 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.144 28.346 26.862 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.829 28.499 27.001 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.490 27.341 26.828 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.451 28.884 25.943 1.00 0.00 H new ATOM 446 N ALA A 29 8.038 31.125 27.790 1.00 0.00 N ATOM 447 CA ALA A 29 7.152 32.277 27.907 1.00 0.00 C ATOM 448 C ALA A 29 6.956 32.655 29.369 1.00 0.00 C ATOM 449 O ALA A 29 7.301 33.760 29.787 1.00 0.00 O ATOM 450 CB ALA A 29 5.805 31.956 27.270 1.00 0.00 C ATOM 0 H ALA A 29 7.697 30.282 28.252 1.00 0.00 H new ATOM 0 HA ALA A 29 7.606 33.121 27.389 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.145 32.819 27.359 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.949 31.716 26.216 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.356 31.102 27.778 1.00 0.00 H new ATOM 456 N GLU A 30 6.398 31.730 30.141 1.00 0.00 N ATOM 457 CA GLU A 30 6.151 31.960 31.560 1.00 0.00 C ATOM 458 C GLU A 30 6.084 30.633 32.302 1.00 0.00 C ATOM 459 O GLU A 30 5.929 29.576 31.689 1.00 0.00 O ATOM 460 CB GLU A 30 4.843 32.727 31.741 1.00 0.00 C ATOM 461 CG GLU A 30 4.745 33.345 33.132 1.00 0.00 C ATOM 462 CD GLU A 30 3.761 34.507 33.123 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.587 34.291 32.754 1.00 0.00 O ATOM 464 OE2 GLU A 30 4.165 35.632 33.485 1.00 0.00 O ATOM 0 H GLU A 30 6.107 30.811 29.807 1.00 0.00 H new ATOM 0 HA GLU A 30 6.970 32.551 31.971 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.773 33.511 30.987 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.000 32.054 31.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.423 32.592 33.851 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.727 33.693 33.453 1.00 0.00 H new ATOM 471 N VAL A 31 6.203 30.688 33.624 1.00 0.00 N ATOM 472 CA VAL A 31 6.159 29.482 34.443 1.00 0.00 C ATOM 473 C VAL A 31 5.362 29.724 35.714 1.00 0.00 C ATOM 474 O VAL A 31 5.449 30.789 36.326 1.00 0.00 O ATOM 475 CB VAL A 31 7.575 29.034 34.790 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.549 27.702 35.534 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.425 28.925 33.528 1.00 0.00 C ATOM 0 H VAL A 31 6.330 31.552 34.150 1.00 0.00 H new ATOM 0 HA VAL A 31 5.666 28.695 33.872 1.00 0.00 H new ATOM 0 HB VAL A 31 8.022 29.783 35.443 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.568 27.399 35.773 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.977 27.811 36.456 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.083 26.943 34.906 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.432 28.604 33.794 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.979 28.196 32.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.472 29.896 33.036 1.00 0.00 H new ATOM 487 N GLU A 32 4.581 28.724 36.100 1.00 0.00 N ATOM 488 CA GLU A 32 3.758 28.797 37.280 1.00 0.00 C ATOM 489 C GLU A 32 3.897 27.502 38.071 1.00 0.00 C ATOM 490 O GLU A 32 3.659 26.417 37.541 1.00 0.00 O ATOM 491 CB GLU A 32 2.313 29.007 36.854 1.00 0.00 C ATOM 492 CG GLU A 32 1.402 29.056 38.064 1.00 0.00 C ATOM 493 CD GLU A 32 1.080 30.498 38.442 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.389 31.409 37.645 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.516 30.714 39.535 1.00 0.00 O ATOM 0 H GLU A 32 4.507 27.840 35.596 1.00 0.00 H new ATOM 0 HA GLU A 32 4.071 29.628 37.912 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.226 29.935 36.289 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.003 28.200 36.191 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.479 28.516 37.852 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.879 28.553 38.905 1.00 0.00 H new ATOM 502 N LEU A 33 4.295 27.613 39.334 1.00 0.00 N ATOM 503 CA LEU A 33 4.473 26.435 40.176 1.00 0.00 C ATOM 504 C LEU A 33 3.430 26.388 41.287 1.00 0.00 C ATOM 505 O LEU A 33 2.614 27.298 41.435 1.00 0.00 O ATOM 506 CB LEU A 33 5.888 26.423 40.766 1.00 0.00 C ATOM 507 CG LEU A 33 6.046 27.421 41.912 1.00 0.00 C ATOM 508 CD1 LEU A 33 5.565 26.805 43.222 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.499 27.871 42.036 1.00 0.00 C ATOM 0 H LEU A 33 4.499 28.500 39.795 1.00 0.00 H new ATOM 0 HA LEU A 33 4.338 25.548 39.557 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.121 25.421 41.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.608 26.656 39.982 1.00 0.00 H new ATOM 0 HG LEU A 33 5.434 28.296 41.694 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.684 27.528 44.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.514 26.532 43.131 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.153 25.914 43.443 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.591 28.581 42.858 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.132 27.006 42.232 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.813 28.348 41.107 1.00 0.00 H new ATOM 521 N ARG A 34 3.477 25.316 42.069 1.00 0.00 N ATOM 522 CA ARG A 34 2.557 25.122 43.182 1.00 0.00 C ATOM 523 C ARG A 34 3.282 24.410 44.318 1.00 0.00 C ATOM 524 O ARG A 34 4.438 24.013 44.170 1.00 0.00 O ATOM 525 CB ARG A 34 1.353 24.300 42.726 1.00 0.00 C ATOM 526 CG ARG A 34 0.149 24.522 43.638 1.00 0.00 C ATOM 527 CD ARG A 34 -1.162 24.273 42.900 1.00 0.00 C ATOM 528 NE ARG A 34 -2.208 23.896 43.846 1.00 0.00 N ATOM 529 CZ ARG A 34 -3.200 23.080 43.504 1.00 0.00 C ATOM 530 NH1 ARG A 34 -4.075 23.448 42.578 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.317 21.895 44.088 1.00 0.00 N ATOM 0 H ARG A 34 4.151 24.560 41.950 1.00 0.00 H new ATOM 0 HA ARG A 34 2.203 26.091 43.534 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.092 24.572 41.703 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.615 23.242 42.718 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.215 23.857 44.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.164 25.542 44.021 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.459 25.170 42.357 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.028 23.483 42.161 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.177 24.269 44.795 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.987 24.359 42.127 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.836 22.820 42.317 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.645 21.609 44.800 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.079 21.270 43.825 1.00 0.00 H new ATOM 545 N GLU A 35 2.606 24.243 45.447 1.00 0.00 N ATOM 546 CA GLU A 35 3.198 23.572 46.593 1.00 0.00 C ATOM 547 C GLU A 35 2.427 22.296 46.884 1.00 0.00 C ATOM 548 O GLU A 35 2.819 21.213 46.449 1.00 0.00 O ATOM 549 CB GLU A 35 3.180 24.497 47.808 1.00 0.00 C ATOM 550 CG GLU A 35 4.147 25.662 47.624 1.00 0.00 C ATOM 551 CD GLU A 35 3.635 26.895 48.358 1.00 0.00 C ATOM 552 OE1 GLU A 35 3.175 26.753 49.510 1.00 0.00 O ATOM 553 OE2 GLU A 35 3.694 28.000 47.778 1.00 0.00 O ATOM 0 H GLU A 35 1.648 24.563 45.592 1.00 0.00 H new ATOM 0 HA GLU A 35 4.234 23.318 46.370 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.171 24.879 47.964 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.449 23.934 48.702 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.132 25.389 48.001 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.262 25.884 46.563 1.00 0.00 H new ATOM 560 N HIS A 36 1.319 22.432 47.603 1.00 0.00 N ATOM 561 CA HIS A 36 0.476 21.293 47.937 1.00 0.00 C ATOM 562 C HIS A 36 -0.692 21.744 48.805 1.00 0.00 C ATOM 563 O HIS A 36 -1.810 21.247 48.666 1.00 0.00 O ATOM 564 CB HIS A 36 1.288 20.228 48.671 1.00 0.00 C ATOM 565 CG HIS A 36 0.502 18.983 48.939 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.801 18.107 49.951 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.587 18.450 48.327 1.00 0.00 C ATOM 568 CE1 HIS A 36 -0.042 17.101 49.968 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.909 17.276 48.985 1.00 0.00 N ATOM 0 H HIS A 36 0.983 23.324 47.967 1.00 0.00 H new ATOM 0 HA HIS A 36 0.089 20.864 47.013 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.168 19.976 48.079 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.646 20.637 49.616 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.108 18.868 47.478 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.030 16.275 50.663 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.682 16.653 48.752 1.00 0.00 H new ATOM 577 N GLY A 37 -0.425 22.690 49.698 1.00 0.00 N ATOM 578 CA GLY A 37 -1.450 23.217 50.594 1.00 0.00 C ATOM 579 C GLY A 37 -1.793 24.663 50.243 1.00 0.00 C ATOM 580 O GLY A 37 -2.842 25.171 50.638 1.00 0.00 O ATOM 0 H GLY A 37 0.496 23.110 49.822 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.347 22.601 50.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.100 23.162 51.625 1.00 0.00 H new ATOM 584 N SER A 38 -0.904 25.325 49.502 1.00 0.00 N ATOM 585 CA SER A 38 -1.115 26.715 49.102 1.00 0.00 C ATOM 586 C SER A 38 -2.523 26.911 48.549 1.00 0.00 C ATOM 587 O SER A 38 -3.126 25.981 48.014 1.00 0.00 O ATOM 588 CB SER A 38 -0.083 27.112 48.049 1.00 0.00 C ATOM 589 OG SER A 38 0.241 26.003 47.226 1.00 0.00 O ATOM 0 H SER A 38 -0.030 24.920 49.167 1.00 0.00 H new ATOM 0 HA SER A 38 -0.999 27.350 49.981 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.474 27.924 47.437 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.817 27.485 48.537 1.00 0.00 H new ATOM 0 HG SER A 38 0.902 26.275 46.556 1.00 0.00 H new ATOM 595 N ASP A 39 -3.043 28.128 48.686 1.00 0.00 N ATOM 596 CA ASP A 39 -4.382 28.451 48.205 1.00 0.00 C ATOM 597 C ASP A 39 -4.526 28.077 46.735 1.00 0.00 C ATOM 598 O ASP A 39 -5.535 27.502 46.328 1.00 0.00 O ATOM 599 CB ASP A 39 -4.658 29.940 48.393 1.00 0.00 C ATOM 600 CG ASP A 39 -4.679 30.289 49.875 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.637 29.889 50.568 1.00 0.00 O ATOM 602 OD2 ASP A 39 -3.735 30.963 50.341 1.00 0.00 O ATOM 0 H ASP A 39 -2.556 28.908 49.127 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.107 27.877 48.782 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.892 30.526 47.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.613 30.200 47.937 1.00 0.00 H new ATOM 607 N GLU A 40 -3.513 28.407 45.942 1.00 0.00 N ATOM 608 CA GLU A 40 -3.528 28.105 44.514 1.00 0.00 C ATOM 609 C GLU A 40 -2.122 28.193 43.938 1.00 0.00 C ATOM 610 O GLU A 40 -1.156 28.433 44.663 1.00 0.00 O ATOM 611 CB GLU A 40 -4.449 29.079 43.785 1.00 0.00 C ATOM 612 CG GLU A 40 -4.058 30.526 44.066 1.00 0.00 C ATOM 613 CD GLU A 40 -4.379 31.402 42.862 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.127 30.960 41.721 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.881 32.528 43.061 1.00 0.00 O ATOM 0 H GLU A 40 -2.670 28.884 46.263 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.900 27.090 44.377 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.406 28.890 42.712 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.480 28.911 44.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.593 30.891 44.943 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.994 30.585 44.294 1.00 0.00 H new ATOM 622 N TRP A 41 -2.013 27.998 42.629 1.00 0.00 N ATOM 623 CA TRP A 41 -0.724 28.056 41.949 1.00 0.00 C ATOM 624 C TRP A 41 -0.080 29.420 42.158 1.00 0.00 C ATOM 625 O TRP A 41 -0.766 30.407 42.423 1.00 0.00 O ATOM 626 CB TRP A 41 -0.906 27.792 40.457 1.00 0.00 C ATOM 627 CG TRP A 41 -1.525 26.457 40.174 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.840 26.112 40.331 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.854 25.279 39.678 1.00 0.00 C ATOM 630 NE1 TRP A 41 -3.000 24.805 39.964 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.816 24.268 39.562 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.464 24.983 39.322 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.499 22.997 39.110 1.00 0.00 C ATOM 634 CZ3 TRP A 41 0.789 23.712 38.869 1.00 0.00 C ATOM 635 CH2 TRP A 41 -0.185 22.728 38.764 1.00 0.00 C ATOM 0 H TRP A 41 -2.803 27.798 42.016 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.073 27.289 42.369 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.531 28.575 40.028 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.063 27.850 39.962 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.623 26.765 40.687 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.886 24.301 39.988 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.229 25.742 39.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.259 22.234 39.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.809 23.486 38.596 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.084 21.744 38.409 1.00 0.00 H new ATOM 646 N VAL A 42 1.242 29.469 42.037 1.00 0.00 N ATOM 647 CA VAL A 42 1.982 30.714 42.211 1.00 0.00 C ATOM 648 C VAL A 42 2.933 30.931 41.043 1.00 0.00 C ATOM 649 O VAL A 42 3.888 30.176 40.859 1.00 0.00 O ATOM 650 CB VAL A 42 2.767 30.674 43.518 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.821 30.695 44.716 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.662 29.440 43.564 1.00 0.00 C ATOM 0 H VAL A 42 1.824 28.660 41.819 1.00 0.00 H new ATOM 0 HA VAL A 42 1.273 31.541 42.244 1.00 0.00 H new ATOM 0 HB VAL A 42 3.398 31.561 43.567 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.401 30.666 45.638 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.223 31.606 44.692 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.162 29.828 44.674 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.215 29.427 44.503 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.048 28.542 43.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.363 29.468 42.730 1.00 0.00 H new ATOM 662 N ALA A 43 2.669 31.967 40.254 1.00 0.00 N ATOM 663 CA ALA A 43 3.505 32.284 39.102 1.00 0.00 C ATOM 664 C ALA A 43 4.955 32.454 39.535 1.00 0.00 C ATOM 665 O ALA A 43 5.261 33.273 40.402 1.00 0.00 O ATOM 666 CB ALA A 43 3.007 33.563 38.434 1.00 0.00 C ATOM 0 H ALA A 43 1.882 32.602 40.391 1.00 0.00 H new ATOM 0 HA ALA A 43 3.446 31.463 38.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.636 33.793 37.574 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.978 33.424 38.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.051 34.387 39.147 1.00 0.00 H new ATOM 672 N MET A 44 5.844 31.672 38.933 1.00 0.00 N ATOM 673 CA MET A 44 7.264 31.732 39.259 1.00 0.00 C ATOM 674 C MET A 44 7.776 33.163 39.183 1.00 0.00 C ATOM 675 O MET A 44 7.012 34.097 38.940 1.00 0.00 O ATOM 676 CB MET A 44 8.051 30.852 38.299 1.00 0.00 C ATOM 677 CG MET A 44 8.341 29.493 38.920 1.00 0.00 C ATOM 678 SD MET A 44 9.899 29.470 39.820 1.00 0.00 S ATOM 679 CE MET A 44 10.494 27.819 39.426 1.00 0.00 C ATOM 0 H MET A 44 5.606 30.988 38.215 1.00 0.00 H new ATOM 0 HA MET A 44 7.399 31.370 40.278 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.488 30.721 37.375 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.988 31.343 38.035 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.530 29.225 39.597 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.366 28.736 38.136 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.572 27.775 39.579 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.005 27.092 40.075 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.265 27.588 38.385 1.00 0.00 H new ATOM 689 N THR A 45 9.078 33.325 39.393 1.00 0.00 N ATOM 690 CA THR A 45 9.706 34.641 39.351 1.00 0.00 C ATOM 691 C THR A 45 11.150 34.525 38.883 1.00 0.00 C ATOM 692 O THR A 45 11.936 33.765 39.449 1.00 0.00 O ATOM 693 CB THR A 45 9.659 35.285 40.734 1.00 0.00 C ATOM 694 OG1 THR A 45 8.326 35.293 41.223 1.00 0.00 O ATOM 695 CG2 THR A 45 10.209 36.708 40.688 1.00 0.00 C ATOM 0 H THR A 45 9.721 32.559 39.595 1.00 0.00 H new ATOM 0 HA THR A 45 9.158 35.266 38.646 1.00 0.00 H new ATOM 0 HB THR A 45 10.283 34.697 41.408 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.306 35.707 42.111 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.166 37.147 41.685 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.243 36.687 40.345 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.611 37.307 40.001 1.00 0.00 H new ATOM 703 N LYS A 46 11.495 35.283 37.847 1.00 0.00 N ATOM 704 CA LYS A 46 12.849 35.265 37.303 1.00 0.00 C ATOM 705 C LYS A 46 13.836 35.807 38.330 1.00 0.00 C ATOM 706 O LYS A 46 14.308 36.938 38.216 1.00 0.00 O ATOM 707 CB LYS A 46 12.912 36.102 36.027 1.00 0.00 C ATOM 708 CG LYS A 46 12.276 37.474 36.229 1.00 0.00 C ATOM 709 CD LYS A 46 12.644 38.426 35.095 1.00 0.00 C ATOM 710 CE LYS A 46 14.157 38.601 34.988 1.00 0.00 C ATOM 711 NZ LYS A 46 14.507 39.836 34.231 1.00 0.00 N ATOM 0 H LYS A 46 10.856 35.917 37.367 1.00 0.00 H new ATOM 0 HA LYS A 46 13.118 34.236 37.066 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.951 36.223 35.720 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.400 35.577 35.220 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.192 37.371 36.283 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.604 37.893 37.180 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.252 38.042 34.153 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.174 39.395 35.264 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.591 38.649 35.987 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.592 37.733 34.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.541 39.927 34.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.112 39.778 33.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.112 40.666 34.718 1.00 0.00 H new ATOM 725 N GLY A 47 14.142 34.993 39.336 1.00 0.00 N ATOM 726 CA GLY A 47 15.071 35.390 40.389 1.00 0.00 C ATOM 727 C GLY A 47 16.486 34.926 40.070 1.00 0.00 C ATOM 728 O GLY A 47 17.462 35.583 40.434 1.00 0.00 O ATOM 0 H GLY A 47 13.760 34.054 39.444 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.057 36.474 40.502 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.751 34.966 41.341 1.00 0.00 H new ATOM 732 N GLU A 48 16.595 33.790 39.389 1.00 0.00 N ATOM 733 CA GLU A 48 17.893 33.239 39.022 1.00 0.00 C ATOM 734 C GLU A 48 18.458 33.977 37.816 1.00 0.00 C ATOM 735 O GLU A 48 17.788 34.820 37.221 1.00 0.00 O ATOM 736 CB GLU A 48 17.755 31.754 38.702 1.00 0.00 C ATOM 737 CG GLU A 48 18.316 30.891 39.829 1.00 0.00 C ATOM 738 CD GLU A 48 19.754 30.492 39.523 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.629 31.384 39.508 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.004 29.289 39.300 1.00 0.00 O ATOM 0 H GLU A 48 15.798 33.233 39.080 1.00 0.00 H new ATOM 0 HA GLU A 48 18.576 33.363 39.862 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.705 31.510 38.542 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.279 31.529 37.773 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.276 31.439 40.770 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.702 29.999 39.953 1.00 0.00 H new ATOM 747 N GLY A 49 19.694 33.648 37.457 1.00 0.00 N ATOM 748 CA GLY A 49 20.353 34.273 36.317 1.00 0.00 C ATOM 749 C GLY A 49 20.382 33.314 35.135 1.00 0.00 C ATOM 750 O GLY A 49 21.334 33.300 34.355 1.00 0.00 O ATOM 0 H GLY A 49 20.260 32.951 37.940 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.827 35.187 36.040 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.369 34.559 36.587 1.00 0.00 H new ATOM 754 N GLY A 50 19.330 32.510 35.011 1.00 0.00 N ATOM 755 CA GLY A 50 19.229 31.540 33.926 1.00 0.00 C ATOM 756 C GLY A 50 17.942 30.730 34.036 1.00 0.00 C ATOM 757 O GLY A 50 17.343 30.365 33.025 1.00 0.00 O ATOM 0 H GLY A 50 18.535 32.511 35.650 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.257 32.057 32.967 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.088 30.870 33.951 1.00 0.00 H new ATOM 761 N VAL A 51 17.521 30.447 35.266 1.00 0.00 N ATOM 762 CA VAL A 51 16.305 29.675 35.497 1.00 0.00 C ATOM 763 C VAL A 51 15.330 30.460 36.362 1.00 0.00 C ATOM 764 O VAL A 51 15.578 31.616 36.703 1.00 0.00 O ATOM 765 CB VAL A 51 16.648 28.351 36.172 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.213 27.366 35.152 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.639 28.571 37.312 1.00 0.00 C ATOM 0 H VAL A 51 18.003 30.740 36.116 1.00 0.00 H new ATOM 0 HA VAL A 51 15.834 29.475 34.535 1.00 0.00 H new ATOM 0 HB VAL A 51 15.734 27.929 36.591 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.453 26.426 35.648 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.473 27.186 34.372 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.117 27.782 34.706 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.872 27.615 37.781 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.554 29.014 36.918 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.200 29.241 38.051 1.00 0.00 H new ATOM 777 N TRP A 52 14.214 29.827 36.704 1.00 0.00 N ATOM 778 CA TRP A 52 13.189 30.462 37.522 1.00 0.00 C ATOM 779 C TRP A 52 13.326 30.042 38.980 1.00 0.00 C ATOM 780 O TRP A 52 13.592 28.878 39.280 1.00 0.00 O ATOM 781 CB TRP A 52 11.812 30.078 36.995 1.00 0.00 C ATOM 782 CG TRP A 52 11.748 30.108 35.499 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.195 29.162 34.684 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.273 31.135 34.635 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.340 29.562 33.384 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.992 30.756 33.316 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.948 32.338 34.850 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.362 31.534 32.232 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.322 33.122 33.767 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.030 32.722 32.470 1.00 0.00 C ATOM 0 H TRP A 52 13.996 28.870 36.426 1.00 0.00 H new ATOM 0 HA TRP A 52 13.313 31.543 37.466 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.556 29.079 37.348 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.066 30.761 37.402 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.721 28.249 35.012 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.005 29.038 32.576 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.178 32.658 35.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.134 31.221 31.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.845 34.052 33.935 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.327 33.344 31.639 1.00 0.00 H new ATOM 801 N THR A 53 13.139 30.999 39.884 1.00 0.00 N ATOM 802 CA THR A 53 13.237 30.736 41.316 1.00 0.00 C ATOM 803 C THR A 53 12.026 31.311 42.040 1.00 0.00 C ATOM 804 O THR A 53 11.424 32.284 41.585 1.00 0.00 O ATOM 805 CB THR A 53 14.517 31.352 41.874 1.00 0.00 C ATOM 806 OG1 THR A 53 14.950 32.415 41.039 1.00 0.00 O ATOM 807 CG2 THR A 53 15.617 30.300 41.994 1.00 0.00 C ATOM 0 H THR A 53 12.918 31.967 39.649 1.00 0.00 H new ATOM 0 HA THR A 53 13.263 29.658 41.474 1.00 0.00 H new ATOM 0 HB THR A 53 14.305 31.743 42.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.580 32.982 41.531 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.520 30.762 42.394 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.289 29.505 42.664 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.829 29.881 41.010 1.00 0.00 H new ATOM 815 N PHE A 54 11.672 30.704 43.168 1.00 0.00 N ATOM 816 CA PHE A 54 10.527 31.157 43.954 1.00 0.00 C ATOM 817 C PHE A 54 10.915 31.321 45.419 1.00 0.00 C ATOM 818 O PHE A 54 11.676 30.522 45.963 1.00 0.00 O ATOM 819 CB PHE A 54 9.381 30.158 43.830 1.00 0.00 C ATOM 820 CG PHE A 54 8.117 30.632 44.504 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.269 31.508 43.848 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.805 30.193 45.780 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.109 31.944 44.466 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.645 30.629 46.399 1.00 0.00 C ATOM 825 CZ PHE A 54 5.797 31.504 45.742 1.00 0.00 C ATOM 0 H PHE A 54 12.160 29.898 43.559 1.00 0.00 H new ATOM 0 HA PHE A 54 10.203 32.124 43.569 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.178 29.974 42.775 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.685 29.207 44.267 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.512 31.852 42.853 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.466 29.510 46.293 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.448 32.627 43.953 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.402 30.286 47.394 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.892 31.844 46.224 1.00 0.00 H new ATOM 835 N ASP A 55 10.385 32.364 46.051 1.00 0.00 N ATOM 836 CA ASP A 55 10.672 32.637 47.456 1.00 0.00 C ATOM 837 C ASP A 55 9.553 32.100 48.339 1.00 0.00 C ATOM 838 O ASP A 55 8.418 32.571 48.275 1.00 0.00 O ATOM 839 CB ASP A 55 10.827 34.140 47.673 1.00 0.00 C ATOM 840 CG ASP A 55 12.273 34.559 47.443 1.00 0.00 C ATOM 841 OD1 ASP A 55 13.181 33.855 47.930 1.00 0.00 O ATOM 842 OD2 ASP A 55 12.495 35.592 46.776 1.00 0.00 O ATOM 0 H ASP A 55 9.754 33.035 45.612 1.00 0.00 H new ATOM 0 HA ASP A 55 11.603 32.138 47.726 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.171 34.683 46.992 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.522 34.402 48.686 1.00 0.00 H new ATOM 847 N SER A 56 9.881 31.110 49.164 1.00 0.00 N ATOM 848 CA SER A 56 8.905 30.502 50.064 1.00 0.00 C ATOM 849 C SER A 56 9.150 30.953 51.499 1.00 0.00 C ATOM 850 O SER A 56 10.079 31.714 51.769 1.00 0.00 O ATOM 851 CB SER A 56 8.993 28.982 49.976 1.00 0.00 C ATOM 852 OG SER A 56 7.696 28.409 49.915 1.00 0.00 O ATOM 0 H SER A 56 10.817 30.711 49.228 1.00 0.00 H new ATOM 0 HA SER A 56 7.907 30.822 49.763 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.565 28.696 49.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.528 28.593 50.842 1.00 0.00 H new ATOM 0 HG SER A 56 7.587 27.768 50.648 1.00 0.00 H new ATOM 858 N GLU A 57 8.312 30.479 52.417 1.00 0.00 N ATOM 859 CA GLU A 57 8.440 30.835 53.827 1.00 0.00 C ATOM 860 C GLU A 57 7.485 30.007 54.678 1.00 0.00 C ATOM 861 O GLU A 57 6.893 30.513 55.632 1.00 0.00 O ATOM 862 CB GLU A 57 8.152 32.321 54.017 1.00 0.00 C ATOM 863 CG GLU A 57 6.833 32.717 53.362 1.00 0.00 C ATOM 864 CD GLU A 57 6.642 34.227 53.434 1.00 0.00 C ATOM 865 OE1 GLU A 57 7.492 34.961 52.887 1.00 0.00 O ATOM 866 OE2 GLU A 57 5.644 34.673 54.037 1.00 0.00 O ATOM 0 H GLU A 57 7.538 29.848 52.210 1.00 0.00 H new ATOM 0 HA GLU A 57 9.461 30.624 54.147 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.116 32.554 55.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.964 32.909 53.589 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.823 32.391 52.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.005 32.214 53.862 1.00 0.00 H new ATOM 873 N GLU A 58 7.341 28.732 54.331 1.00 0.00 N ATOM 874 CA GLU A 58 6.458 27.831 55.066 1.00 0.00 C ATOM 875 C GLU A 58 7.236 26.619 55.568 1.00 0.00 C ATOM 876 O GLU A 58 8.279 26.269 55.015 1.00 0.00 O ATOM 877 CB GLU A 58 5.310 27.378 54.169 1.00 0.00 C ATOM 878 CG GLU A 58 5.815 26.516 53.015 1.00 0.00 C ATOM 879 CD GLU A 58 5.235 27.008 51.696 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.140 27.610 51.714 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.875 26.791 50.646 1.00 0.00 O ATOM 0 H GLU A 58 7.825 28.298 53.545 1.00 0.00 H new ATOM 0 HA GLU A 58 6.050 28.365 55.924 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.587 26.814 54.758 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.789 28.250 53.774 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.904 26.549 52.976 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.533 25.476 53.179 1.00 0.00 H new ATOM 888 N PRO A 59 6.735 25.958 56.626 1.00 0.00 N ATOM 889 CA PRO A 59 7.389 24.773 57.203 1.00 0.00 C ATOM 890 C PRO A 59 7.262 23.554 56.299 1.00 0.00 C ATOM 891 O PRO A 59 8.224 22.811 56.101 1.00 0.00 O ATOM 892 CB PRO A 59 6.649 24.549 58.515 1.00 0.00 C ATOM 893 CG PRO A 59 5.309 25.171 58.322 1.00 0.00 C ATOM 894 CD PRO A 59 5.496 26.303 57.344 1.00 0.00 C ATOM 0 HA PRO A 59 8.461 24.923 57.334 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.560 23.486 58.740 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.179 25.008 59.349 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.595 24.442 57.939 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.912 25.538 59.269 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.650 26.384 56.662 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.586 27.261 57.856 1.00 0.00 H new ATOM 902 N LEU A 60 6.068 23.353 55.754 1.00 0.00 N ATOM 903 CA LEU A 60 5.808 22.222 54.870 1.00 0.00 C ATOM 904 C LEU A 60 6.542 22.400 53.547 1.00 0.00 C ATOM 905 O LEU A 60 6.347 23.392 52.845 1.00 0.00 O ATOM 906 CB LEU A 60 4.309 22.091 54.625 1.00 0.00 C ATOM 907 CG LEU A 60 3.553 21.901 55.936 1.00 0.00 C ATOM 908 CD1 LEU A 60 2.229 22.658 55.906 1.00 0.00 C ATOM 909 CD2 LEU A 60 3.316 20.418 56.207 1.00 0.00 C ATOM 0 H LEU A 60 5.263 23.960 55.909 1.00 0.00 H new ATOM 0 HA LEU A 60 6.173 21.312 55.347 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.941 22.982 54.115 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.118 21.245 53.965 1.00 0.00 H new ATOM 0 HG LEU A 60 4.161 22.306 56.745 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.704 22.510 56.850 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.421 23.721 55.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.615 22.284 55.087 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.775 20.302 57.146 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.729 19.989 55.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.274 19.903 56.274 1.00 0.00 H new ATOM 921 N GLN A 61 7.386 21.429 53.214 1.00 0.00 N ATOM 922 CA GLN A 61 8.155 21.470 51.975 1.00 0.00 C ATOM 923 C GLN A 61 7.974 20.172 51.198 1.00 0.00 C ATOM 924 O GLN A 61 8.748 19.229 51.359 1.00 0.00 O ATOM 925 CB GLN A 61 9.632 21.688 52.289 1.00 0.00 C ATOM 926 CG GLN A 61 10.114 23.043 51.780 1.00 0.00 C ATOM 927 CD GLN A 61 11.369 22.873 50.935 1.00 0.00 C ATOM 928 OE1 GLN A 61 12.434 23.387 51.277 1.00 0.00 O ATOM 929 NE2 GLN A 61 11.245 22.148 49.830 1.00 0.00 N ATOM 0 H GLN A 61 7.555 20.602 53.786 1.00 0.00 H new ATOM 0 HA GLN A 61 7.794 22.297 51.364 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.790 21.625 53.366 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.224 20.894 51.833 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.330 23.517 51.189 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.321 23.703 52.622 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.342 21.741 49.586 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.052 21.998 49.225 1.00 0.00 H new ATOM 938 N GLY A 62 6.945 20.128 50.357 1.00 0.00 N ATOM 939 CA GLY A 62 6.661 18.943 49.556 1.00 0.00 C ATOM 940 C GLY A 62 7.083 19.154 48.106 1.00 0.00 C ATOM 941 O GLY A 62 8.044 19.872 47.830 1.00 0.00 O ATOM 0 H GLY A 62 6.294 20.900 50.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.188 18.084 49.971 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.596 18.716 49.600 1.00 0.00 H new ATOM 945 N PRO A 63 6.365 18.527 47.158 1.00 0.00 N ATOM 946 CA PRO A 63 6.669 18.648 45.727 1.00 0.00 C ATOM 947 C PRO A 63 6.167 19.964 45.142 1.00 0.00 C ATOM 948 O PRO A 63 5.384 20.675 45.772 1.00 0.00 O ATOM 949 CB PRO A 63 5.942 17.468 45.097 1.00 0.00 C ATOM 950 CG PRO A 63 4.822 17.137 46.032 1.00 0.00 C ATOM 951 CD PRO A 63 5.205 17.653 47.401 1.00 0.00 C ATOM 0 HA PRO A 63 7.743 18.642 45.539 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.563 17.724 44.108 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.612 16.617 44.971 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.893 17.597 45.695 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.653 16.061 46.062 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.384 18.203 47.861 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.459 16.836 48.076 1.00 0.00 H new ATOM 959 N PHE A 64 6.621 20.280 43.934 1.00 0.00 N ATOM 960 CA PHE A 64 6.217 21.510 43.261 1.00 0.00 C ATOM 961 C PHE A 64 5.606 21.195 41.903 1.00 0.00 C ATOM 962 O PHE A 64 6.293 20.721 40.998 1.00 0.00 O ATOM 963 CB PHE A 64 7.420 22.432 43.072 1.00 0.00 C ATOM 964 CG PHE A 64 8.069 22.844 44.368 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.533 23.881 45.114 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.208 22.191 44.810 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.134 24.262 46.303 1.00 0.00 C ATOM 968 CE2 PHE A 64 9.809 22.572 45.997 1.00 0.00 C ATOM 969 CZ PHE A 64 9.272 23.607 46.744 1.00 0.00 C ATOM 0 H PHE A 64 7.269 19.701 43.400 1.00 0.00 H new ATOM 0 HA PHE A 64 5.474 22.010 43.882 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.159 21.929 42.448 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.103 23.325 42.533 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.647 24.393 44.769 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.627 21.384 44.228 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.715 25.069 46.886 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.697 22.062 46.341 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.741 23.904 47.671 1.00 0.00 H new ATOM 979 N ASN A 65 4.316 21.471 41.761 1.00 0.00 N ATOM 980 CA ASN A 65 3.617 21.227 40.506 1.00 0.00 C ATOM 981 C ASN A 65 3.768 22.434 39.591 1.00 0.00 C ATOM 982 O ASN A 65 3.572 23.572 40.016 1.00 0.00 O ATOM 983 CB ASN A 65 2.141 20.955 40.774 1.00 0.00 C ATOM 984 CG ASN A 65 1.988 19.826 41.784 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.626 18.780 41.663 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.140 20.036 42.784 1.00 0.00 N ATOM 0 H ASN A 65 3.732 21.864 42.500 1.00 0.00 H new ATOM 0 HA ASN A 65 4.052 20.354 40.019 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.660 21.858 41.151 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.638 20.691 39.844 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.997 19.315 43.491 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.632 20.918 42.845 1.00 0.00 H new ATOM 993 N PHE A 66 4.129 22.185 38.337 1.00 0.00 N ATOM 994 CA PHE A 66 4.317 23.261 37.371 1.00 0.00 C ATOM 995 C PHE A 66 3.268 23.198 36.269 1.00 0.00 C ATOM 996 O PHE A 66 2.426 22.300 36.243 1.00 0.00 O ATOM 997 CB PHE A 66 5.709 23.169 36.755 1.00 0.00 C ATOM 998 CG PHE A 66 6.788 23.738 37.643 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.094 25.088 37.585 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.477 22.909 38.513 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.088 25.608 38.397 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.472 23.430 39.324 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.777 24.778 39.266 1.00 0.00 C ATOM 0 H PHE A 66 4.297 21.250 37.966 1.00 0.00 H new ATOM 0 HA PHE A 66 4.210 24.210 37.897 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.937 22.125 36.540 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.714 23.699 35.802 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.557 25.735 36.907 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.239 21.857 38.559 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.326 26.661 38.353 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.010 22.784 40.002 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.553 25.184 39.899 1.00 0.00 H new ATOM 1013 N ARG A 67 3.334 24.165 35.361 1.00 0.00 N ATOM 1014 CA ARG A 67 2.403 24.248 34.241 1.00 0.00 C ATOM 1015 C ARG A 67 2.664 25.523 33.450 1.00 0.00 C ATOM 1016 O ARG A 67 1.766 26.340 33.250 1.00 0.00 O ATOM 1017 CB ARG A 67 0.968 24.237 34.757 1.00 0.00 C ATOM 1018 CG ARG A 67 0.760 25.309 35.822 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.289 26.326 35.382 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.629 25.776 35.552 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.579 26.440 36.203 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.779 27.727 35.957 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.329 25.816 37.101 1.00 0.00 N ATOM 0 H ARG A 67 4.030 24.910 35.380 1.00 0.00 H new ATOM 0 HA ARG A 67 2.549 23.388 33.588 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.279 24.404 33.929 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.735 23.257 35.173 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.448 24.842 36.756 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.704 25.818 36.019 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.187 27.240 35.967 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.129 26.596 34.338 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.843 24.858 35.161 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.203 28.210 35.267 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.508 28.235 36.458 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.177 24.826 37.293 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.058 26.326 37.600 1.00 0.00 H new ATOM 1037 N PHE A 68 3.909 25.690 33.014 1.00 0.00 N ATOM 1038 CA PHE A 68 4.313 26.870 32.255 1.00 0.00 C ATOM 1039 C PHE A 68 3.364 27.131 31.096 1.00 0.00 C ATOM 1040 O PHE A 68 2.467 26.337 30.814 1.00 0.00 O ATOM 1041 CB PHE A 68 5.728 26.684 31.717 1.00 0.00 C ATOM 1042 CG PHE A 68 5.967 25.294 31.183 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.377 24.897 29.993 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.771 24.410 31.883 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.593 23.620 29.504 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.987 23.133 31.394 1.00 0.00 C ATOM 1047 CZ PHE A 68 6.398 22.737 30.205 1.00 0.00 C ATOM 0 H PHE A 68 4.660 25.019 33.174 1.00 0.00 H new ATOM 0 HA PHE A 68 4.283 27.727 32.928 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.910 27.410 30.925 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.445 26.893 32.511 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.748 25.585 29.447 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.230 24.717 32.811 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.134 23.312 28.576 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.615 22.445 31.940 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.566 21.740 29.824 1.00 0.00 H new ATOM 1057 N LEU A 69 3.584 28.254 30.421 1.00 0.00 N ATOM 1058 CA LEU A 69 2.771 28.647 29.275 1.00 0.00 C ATOM 1059 C LEU A 69 3.685 29.012 28.115 1.00 0.00 C ATOM 1060 O LEU A 69 3.885 30.190 27.823 1.00 0.00 O ATOM 1061 CB LEU A 69 1.880 29.845 29.625 1.00 0.00 C ATOM 1062 CG LEU A 69 1.485 29.859 31.102 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.710 31.131 31.437 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.661 28.622 31.450 1.00 0.00 C ATOM 0 H LEU A 69 4.327 28.914 30.651 1.00 0.00 H new ATOM 0 HA LEU A 69 2.129 27.811 28.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.405 30.769 29.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.980 29.818 29.010 1.00 0.00 H new ATOM 0 HG LEU A 69 2.396 29.843 31.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.437 31.124 32.492 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.332 32.002 31.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.193 31.177 30.829 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.390 28.651 32.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.244 28.605 30.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.248 27.726 31.251 1.00 0.00 H new ATOM 1076 N THR A 70 4.251 27.991 27.467 1.00 0.00 N ATOM 1077 CA THR A 70 5.171 28.182 26.338 1.00 0.00 C ATOM 1078 C THR A 70 4.740 29.349 25.453 1.00 0.00 C ATOM 1079 O THR A 70 3.553 29.654 25.339 1.00 0.00 O ATOM 1080 CB THR A 70 5.244 26.906 25.508 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.938 26.414 25.265 1.00 0.00 O ATOM 1082 CG2 THR A 70 6.081 25.845 26.217 1.00 0.00 C ATOM 0 H THR A 70 4.087 27.013 27.707 1.00 0.00 H new ATOM 0 HA THR A 70 6.155 28.414 26.745 1.00 0.00 H new ATOM 0 HB THR A 70 5.722 27.139 24.557 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.615 25.937 26.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.119 24.943 25.606 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.092 26.222 26.371 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.631 25.611 27.182 1.00 0.00 H new ATOM 1090 N GLU A 71 5.721 30.002 24.840 1.00 0.00 N ATOM 1091 CA GLU A 71 5.464 31.147 23.974 1.00 0.00 C ATOM 1092 C GLU A 71 4.587 30.752 22.791 1.00 0.00 C ATOM 1093 O GLU A 71 3.548 31.367 22.550 1.00 0.00 O ATOM 1094 CB GLU A 71 6.787 31.721 23.476 1.00 0.00 C ATOM 1095 CG GLU A 71 7.718 32.043 24.642 1.00 0.00 C ATOM 1096 CD GLU A 71 7.654 33.528 24.973 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.546 34.102 24.923 1.00 0.00 O ATOM 1098 OE2 GLU A 71 8.712 34.116 25.282 1.00 0.00 O ATOM 0 H GLU A 71 6.707 29.756 24.928 1.00 0.00 H new ATOM 0 HA GLU A 71 4.933 31.904 24.551 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.269 31.007 22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.600 32.624 22.895 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.435 31.456 25.516 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.741 31.764 24.388 1.00 0.00 H new ATOM 1105 N LYS A 72 5.009 29.733 22.051 1.00 0.00 N ATOM 1106 CA LYS A 72 4.253 29.276 20.889 1.00 0.00 C ATOM 1107 C LYS A 72 4.040 27.767 20.941 1.00 0.00 C ATOM 1108 O LYS A 72 4.436 27.041 20.029 1.00 0.00 O ATOM 1109 CB LYS A 72 4.987 29.662 19.607 1.00 0.00 C ATOM 1110 CG LYS A 72 4.040 30.314 18.604 1.00 0.00 C ATOM 1111 CD LYS A 72 3.037 29.305 18.052 1.00 0.00 C ATOM 1112 CE LYS A 72 3.577 28.621 16.799 1.00 0.00 C ATOM 1113 NZ LYS A 72 3.502 29.523 15.615 1.00 0.00 N ATOM 0 H LYS A 72 5.865 29.210 22.233 1.00 0.00 H new ATOM 0 HA LYS A 72 3.276 29.758 20.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.800 30.349 19.843 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.438 28.775 19.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.507 31.135 19.084 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.615 30.744 17.784 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.815 28.556 18.812 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.100 29.810 17.819 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.611 28.319 16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.007 27.713 16.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.681 28.975 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.556 29.951 15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.217 30.273 15.704 1.00 0.00 H new ATOM 1127 N GLY A 73 3.408 27.298 22.013 1.00 0.00 N ATOM 1128 CA GLY A 73 3.139 25.874 22.179 1.00 0.00 C ATOM 1129 C GLY A 73 1.855 25.652 22.968 1.00 0.00 C ATOM 1130 O GLY A 73 0.756 25.885 22.465 1.00 0.00 O ATOM 0 H GLY A 73 3.073 27.883 22.779 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.057 25.399 21.201 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.974 25.400 22.695 1.00 0.00 H new ATOM 1134 N MET A 74 2.005 25.204 24.208 1.00 0.00 N ATOM 1135 CA MET A 74 0.865 24.947 25.081 1.00 0.00 C ATOM 1136 C MET A 74 1.333 24.772 26.521 1.00 0.00 C ATOM 1137 O MET A 74 2.529 24.837 26.805 1.00 0.00 O ATOM 1138 CB MET A 74 0.124 23.696 24.617 1.00 0.00 C ATOM 1139 CG MET A 74 1.014 22.460 24.708 1.00 0.00 C ATOM 1140 SD MET A 74 1.257 21.670 23.108 1.00 0.00 S ATOM 1141 CE MET A 74 2.106 20.161 23.599 1.00 0.00 C ATOM 0 H MET A 74 2.911 25.010 24.635 1.00 0.00 H new ATOM 0 HA MET A 74 0.187 25.799 25.034 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.767 23.551 25.228 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.212 23.830 23.589 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.982 22.742 25.122 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.568 21.745 25.399 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.325 19.563 22.715 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.037 20.416 24.105 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.470 19.589 24.275 1.00 0.00 H new ATOM 1151 N LYS A 75 0.386 24.550 27.427 1.00 0.00 N ATOM 1152 CA LYS A 75 0.708 24.366 28.839 1.00 0.00 C ATOM 1153 C LYS A 75 0.368 22.949 29.282 1.00 0.00 C ATOM 1154 O LYS A 75 -0.672 22.404 28.912 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.063 25.375 29.687 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.569 25.151 29.585 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.033 24.065 30.551 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.975 24.632 31.608 1.00 0.00 C ATOM 1159 NZ LYS A 75 -2.938 23.822 32.859 1.00 0.00 N ATOM 0 H LYS A 75 -0.609 24.493 27.210 1.00 0.00 H new ATOM 0 HA LYS A 75 1.777 24.528 28.975 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.249 25.292 30.728 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.179 26.387 29.361 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.093 26.082 29.802 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.829 24.869 28.565 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.538 23.274 29.997 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.168 23.613 31.036 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.697 25.662 31.831 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.992 24.654 31.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.589 24.233 33.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.227 22.845 32.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.972 23.822 33.244 1.00 0.00 H new ATOM 1173 N ASN A 76 1.252 22.357 30.079 1.00 0.00 N ATOM 1174 CA ASN A 76 1.050 21.002 30.580 1.00 0.00 C ATOM 1175 C ASN A 76 1.385 20.932 32.064 1.00 0.00 C ATOM 1176 O ASN A 76 2.462 21.353 32.488 1.00 0.00 O ATOM 1177 CB ASN A 76 1.924 20.022 29.802 1.00 0.00 C ATOM 1178 CG ASN A 76 1.163 19.474 28.601 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.064 19.554 28.540 1.00 0.00 O ATOM 1180 ND2 ASN A 76 1.893 18.914 27.643 1.00 0.00 N ATOM 0 H ASN A 76 2.118 22.796 30.392 1.00 0.00 H new ATOM 0 HA ASN A 76 0.003 20.731 30.444 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.834 20.521 29.468 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.231 19.202 30.452 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.439 18.529 26.815 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.908 18.869 27.735 1.00 0.00 H new ATOM 1187 N VAL A 77 0.455 20.403 32.850 1.00 0.00 N ATOM 1188 CA VAL A 77 0.646 20.280 34.292 1.00 0.00 C ATOM 1189 C VAL A 77 1.560 19.103 34.614 1.00 0.00 C ATOM 1190 O VAL A 77 1.561 18.094 33.909 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.703 20.092 34.979 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.524 19.980 36.490 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.646 21.242 34.635 1.00 0.00 C ATOM 0 H VAL A 77 -0.441 20.051 32.513 1.00 0.00 H new ATOM 0 HA VAL A 77 1.114 21.193 34.659 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.146 19.165 34.616 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.497 19.846 36.963 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.111 19.124 36.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.058 20.889 36.870 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.603 21.090 35.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.209 22.183 34.968 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.801 21.275 33.557 1.00 0.00 H new ATOM 1203 N PHE A 78 2.334 19.239 35.687 1.00 0.00 N ATOM 1204 CA PHE A 78 3.254 18.188 36.113 1.00 0.00 C ATOM 1205 C PHE A 78 3.106 17.935 37.608 1.00 0.00 C ATOM 1206 O PHE A 78 3.278 18.844 38.420 1.00 0.00 O ATOM 1207 CB PHE A 78 4.692 18.589 35.793 1.00 0.00 C ATOM 1208 CG PHE A 78 4.891 18.943 34.341 1.00 0.00 C ATOM 1209 CD1 PHE A 78 5.062 17.942 33.398 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.898 20.271 33.947 1.00 0.00 C ATOM 1211 CE1 PHE A 78 5.241 18.269 32.064 1.00 0.00 C ATOM 1212 CE2 PHE A 78 5.078 20.598 32.614 1.00 0.00 C ATOM 1213 CZ PHE A 78 5.248 19.597 31.672 1.00 0.00 C ATOM 0 H PHE A 78 2.342 20.069 36.279 1.00 0.00 H new ATOM 0 HA PHE A 78 3.013 17.272 35.574 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.973 19.441 36.412 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.360 17.769 36.057 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.056 16.906 33.703 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.763 21.052 34.681 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.375 17.488 31.330 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.086 21.634 32.308 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.386 19.852 30.632 1.00 0.00 H new ATOM 1223 N ASP A 79 2.780 16.698 37.967 1.00 0.00 N ATOM 1224 CA ASP A 79 2.603 16.330 39.368 1.00 0.00 C ATOM 1225 C ASP A 79 3.728 15.413 39.830 1.00 0.00 C ATOM 1226 O ASP A 79 4.169 14.533 39.091 1.00 0.00 O ATOM 1227 CB ASP A 79 1.258 15.634 39.557 1.00 0.00 C ATOM 1228 CG ASP A 79 0.153 16.664 39.754 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.424 17.717 40.369 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.981 16.416 39.293 1.00 0.00 O ATOM 0 H ASP A 79 2.633 15.933 37.308 1.00 0.00 H new ATOM 0 HA ASP A 79 2.627 17.239 39.969 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.036 15.014 38.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.303 14.969 40.420 1.00 0.00 H new ATOM 1235 N ASP A 80 4.184 15.624 41.061 1.00 0.00 N ATOM 1236 CA ASP A 80 5.254 14.816 41.636 1.00 0.00 C ATOM 1237 C ASP A 80 6.584 15.115 40.954 1.00 0.00 C ATOM 1238 O ASP A 80 7.437 14.237 40.828 1.00 0.00 O ATOM 1239 CB ASP A 80 4.921 13.333 41.498 1.00 0.00 C ATOM 1240 CG ASP A 80 4.928 12.663 42.865 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.028 12.357 43.372 1.00 0.00 O ATOM 1242 OD2 ASP A 80 3.835 12.446 43.428 1.00 0.00 O ATOM 0 H ASP A 80 3.827 16.351 41.682 1.00 0.00 H new ATOM 0 HA ASP A 80 5.344 15.067 42.693 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.943 13.214 41.032 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.647 12.849 40.844 1.00 0.00 H new ATOM 1247 N VAL A 81 6.760 16.360 40.524 1.00 0.00 N ATOM 1248 CA VAL A 81 7.994 16.772 39.864 1.00 0.00 C ATOM 1249 C VAL A 81 9.158 16.684 40.851 1.00 0.00 C ATOM 1250 O VAL A 81 10.043 15.840 40.705 1.00 0.00 O ATOM 1251 CB VAL A 81 7.830 18.197 39.307 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.175 18.855 38.993 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.962 18.170 38.051 1.00 0.00 C ATOM 0 H VAL A 81 6.065 17.100 40.620 1.00 0.00 H new ATOM 0 HA VAL A 81 8.211 16.107 39.028 1.00 0.00 H new ATOM 0 HB VAL A 81 7.345 18.793 40.080 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.007 19.859 38.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.772 18.915 39.903 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.706 18.261 38.249 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.851 19.183 37.663 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.435 17.542 37.296 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.980 17.766 38.296 1.00 0.00 H new ATOM 1263 N VAL A 82 9.148 17.554 41.855 1.00 0.00 N ATOM 1264 CA VAL A 82 10.199 17.569 42.868 1.00 0.00 C ATOM 1265 C VAL A 82 9.866 16.584 43.987 1.00 0.00 C ATOM 1266 O VAL A 82 8.749 16.581 44.503 1.00 0.00 O ATOM 1267 CB VAL A 82 10.349 18.976 43.441 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.412 19.000 44.536 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.697 19.968 42.336 1.00 0.00 C ATOM 0 H VAL A 82 8.423 18.259 41.990 1.00 0.00 H new ATOM 0 HA VAL A 82 11.139 17.271 42.404 1.00 0.00 H new ATOM 0 HB VAL A 82 9.397 19.271 43.882 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.504 20.011 44.932 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.123 18.321 45.338 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.369 18.684 44.121 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.800 20.966 42.762 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.636 19.675 41.867 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.904 19.973 41.588 1.00 0.00 H new ATOM 1279 N PRO A 83 10.830 15.730 44.378 1.00 0.00 N ATOM 1280 CA PRO A 83 10.624 14.740 45.440 1.00 0.00 C ATOM 1281 C PRO A 83 10.815 15.341 46.827 1.00 0.00 C ATOM 1282 O PRO A 83 11.431 16.396 46.976 1.00 0.00 O ATOM 1283 CB PRO A 83 11.686 13.686 45.161 1.00 0.00 C ATOM 1284 CG PRO A 83 12.775 14.391 44.412 1.00 0.00 C ATOM 1285 CD PRO A 83 12.189 15.655 43.822 1.00 0.00 C ATOM 0 HA PRO A 83 9.609 14.343 45.437 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.064 13.257 46.089 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.276 12.864 44.574 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.604 14.629 45.078 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.173 13.751 43.625 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.778 16.530 44.096 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.170 15.612 42.733 1.00 0.00 H new ATOM 1293 N GLU A 84 10.287 14.663 47.842 1.00 0.00 N ATOM 1294 CA GLU A 84 10.405 15.132 49.219 1.00 0.00 C ATOM 1295 C GLU A 84 11.870 15.181 49.634 1.00 0.00 C ATOM 1296 O GLU A 84 12.587 14.185 49.531 1.00 0.00 O ATOM 1297 CB GLU A 84 9.629 14.208 50.153 1.00 0.00 C ATOM 1298 CG GLU A 84 8.686 14.998 51.057 1.00 0.00 C ATOM 1299 CD GLU A 84 7.844 14.047 51.899 1.00 0.00 C ATOM 1300 OE1 GLU A 84 6.763 13.634 51.429 1.00 0.00 O ATOM 1301 OE2 GLU A 84 8.267 13.718 53.027 1.00 0.00 O ATOM 0 H GLU A 84 9.774 13.788 47.737 1.00 0.00 H new ATOM 0 HA GLU A 84 9.987 16.137 49.285 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.057 13.490 49.565 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.327 13.635 50.764 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.261 15.658 51.706 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.037 15.632 50.453 1.00 0.00 H new ATOM 1308 N LYS A 85 12.312 16.345 50.099 1.00 0.00 N ATOM 1309 CA LYS A 85 13.696 16.523 50.526 1.00 0.00 C ATOM 1310 C LYS A 85 14.644 16.219 49.373 1.00 0.00 C ATOM 1311 O LYS A 85 15.617 15.482 49.532 1.00 0.00 O ATOM 1312 CB LYS A 85 14.002 15.606 51.706 1.00 0.00 C ATOM 1313 CG LYS A 85 15.008 16.247 52.658 1.00 0.00 C ATOM 1314 CD LYS A 85 14.833 15.725 54.081 1.00 0.00 C ATOM 1315 CE LYS A 85 15.891 14.678 54.419 1.00 0.00 C ATOM 1316 NZ LYS A 85 15.356 13.648 55.355 1.00 0.00 N ATOM 0 H LYS A 85 11.732 17.179 50.190 1.00 0.00 H new ATOM 0 HA LYS A 85 13.837 17.559 50.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.081 15.382 52.244 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.397 14.658 51.340 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.021 16.039 52.314 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.883 17.330 52.647 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.900 16.554 54.786 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.839 15.291 54.192 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.235 14.197 53.503 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.757 15.165 54.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.099 12.951 55.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.051 14.106 56.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.545 13.168 54.916 1.00 0.00 H new ATOM 1330 N TYR A 86 14.349 16.790 48.210 1.00 0.00 N ATOM 1331 CA TYR A 86 15.167 16.584 47.019 1.00 0.00 C ATOM 1332 C TYR A 86 16.638 16.830 47.325 1.00 0.00 C ATOM 1333 O TYR A 86 16.995 17.238 48.431 1.00 0.00 O ATOM 1334 CB TYR A 86 14.709 17.522 45.907 1.00 0.00 C ATOM 1335 CG TYR A 86 14.799 18.977 46.296 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.029 19.614 46.320 1.00 0.00 C ATOM 1337 CD2 TYR A 86 13.654 19.677 46.633 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.111 20.949 46.679 1.00 0.00 C ATOM 1339 CE2 TYR A 86 13.738 21.012 46.991 1.00 0.00 C ATOM 1340 CZ TYR A 86 14.965 21.642 47.013 1.00 0.00 C ATOM 1341 OH TYR A 86 15.047 22.968 47.371 1.00 0.00 O ATOM 0 H TYR A 86 13.546 17.402 48.066 1.00 0.00 H new ATOM 0 HA TYR A 86 15.048 15.550 46.695 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.317 17.350 45.019 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.679 17.285 45.639 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.924 19.069 46.059 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.694 19.182 46.617 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.069 21.447 46.698 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.844 21.559 47.253 1.00 0.00 H new ATOM 0 HH TYR A 86 15.805 23.385 46.911 1.00 0.00 H new ATOM 1351 N THR A 87 17.487 16.584 46.333 1.00 0.00 N ATOM 1352 CA THR A 87 18.925 16.780 46.480 1.00 0.00 C ATOM 1353 C THR A 87 19.489 17.449 45.235 1.00 0.00 C ATOM 1354 O THR A 87 19.642 16.813 44.193 1.00 0.00 O ATOM 1355 CB THR A 87 19.615 15.438 46.708 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.712 14.525 47.312 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.853 15.607 47.584 1.00 0.00 C ATOM 0 H THR A 87 17.202 16.247 45.414 1.00 0.00 H new ATOM 0 HA THR A 87 19.107 17.423 47.341 1.00 0.00 H new ATOM 0 HB THR A 87 19.930 15.044 45.742 1.00 0.00 H new ATOM 0 HG1 THR A 87 19.161 13.666 47.454 1.00 0.00 H new ATOM 0 HG21 THR A 87 21.328 14.638 47.733 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.554 16.284 47.096 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.562 16.020 48.550 1.00 0.00 H new ATOM 1365 N ILE A 88 19.792 18.740 45.346 1.00 0.00 N ATOM 1366 CA ILE A 88 20.337 19.506 44.226 1.00 0.00 C ATOM 1367 C ILE A 88 21.457 18.733 43.536 1.00 0.00 C ATOM 1368 O ILE A 88 22.580 18.669 44.035 1.00 0.00 O ATOM 1369 CB ILE A 88 20.861 20.850 44.724 1.00 0.00 C ATOM 1370 CG1 ILE A 88 19.739 21.645 45.389 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.471 21.651 43.578 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.040 21.900 46.863 1.00 0.00 C ATOM 0 H ILE A 88 19.669 19.280 46.203 1.00 0.00 H new ATOM 0 HA ILE A 88 19.540 19.675 43.502 1.00 0.00 H new ATOM 0 HB ILE A 88 21.640 20.661 45.462 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.608 22.596 44.872 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.800 21.100 45.296 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.838 22.605 43.956 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.298 21.091 43.143 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.713 21.830 42.815 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.223 22.468 47.308 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.146 20.948 47.383 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.967 22.467 46.952 1.00 0.00 H new ATOM 1384 N GLY A 89 21.140 18.146 42.386 1.00 0.00 N ATOM 1385 CA GLY A 89 22.114 17.374 41.623 1.00 0.00 C ATOM 1386 C GLY A 89 21.443 16.197 40.926 1.00 0.00 C ATOM 1387 O GLY A 89 21.919 15.065 41.003 1.00 0.00 O ATOM 0 H GLY A 89 20.214 18.191 41.961 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.594 18.015 40.884 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.898 17.011 42.287 1.00 0.00 H new ATOM 1391 N ALA A 90 20.333 16.471 40.247 1.00 0.00 N ATOM 1392 CA ALA A 90 19.594 15.432 39.536 1.00 0.00 C ATOM 1393 C ALA A 90 18.359 16.021 38.868 1.00 0.00 C ATOM 1394 O ALA A 90 18.133 17.230 38.910 1.00 0.00 O ATOM 1395 CB ALA A 90 19.182 14.329 40.507 1.00 0.00 C ATOM 0 H ALA A 90 19.925 17.403 40.174 1.00 0.00 H new ATOM 0 HA ALA A 90 20.240 15.010 38.767 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.631 13.558 39.969 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.072 13.891 40.959 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.548 14.750 41.288 1.00 0.00 H new ATOM 1401 N THR A 91 17.561 15.156 38.251 1.00 0.00 N ATOM 1402 CA THR A 91 16.344 15.583 37.569 1.00 0.00 C ATOM 1403 C THR A 91 15.124 14.941 38.216 1.00 0.00 C ATOM 1404 O THR A 91 15.161 13.776 38.612 1.00 0.00 O ATOM 1405 CB THR A 91 16.414 15.196 36.094 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.559 15.780 35.493 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.154 15.637 35.354 1.00 0.00 C ATOM 0 H THR A 91 17.736 14.152 38.209 1.00 0.00 H new ATOM 0 HA THR A 91 16.256 16.666 37.652 1.00 0.00 H new ATOM 0 HB THR A 91 16.487 14.110 36.028 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.598 15.526 34.547 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.229 15.350 34.305 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.283 15.157 35.801 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.049 16.719 35.427 1.00 0.00 H new ATOM 1415 N TYR A 92 14.042 15.706 38.321 1.00 0.00 N ATOM 1416 CA TYR A 92 12.809 15.207 38.920 1.00 0.00 C ATOM 1417 C TYR A 92 11.598 15.713 38.149 1.00 0.00 C ATOM 1418 O TYR A 92 11.416 16.917 37.980 1.00 0.00 O ATOM 1419 CB TYR A 92 12.709 15.652 40.378 1.00 0.00 C ATOM 1420 CG TYR A 92 14.037 15.654 41.093 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.707 14.463 41.314 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.585 16.846 41.534 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.924 14.466 41.976 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.803 16.847 42.194 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.466 15.657 42.412 1.00 0.00 C ATOM 1426 OH TYR A 92 17.674 15.658 43.071 1.00 0.00 O ATOM 0 H TYR A 92 13.994 16.673 37.999 1.00 0.00 H new ATOM 0 HA TYR A 92 12.827 14.118 38.878 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.282 16.654 40.416 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.021 14.992 40.906 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.281 13.532 40.970 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.063 17.776 41.363 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.447 13.537 42.150 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.232 17.777 42.537 1.00 0.00 H new ATOM 0 HH TYR A 92 17.954 16.582 43.239 1.00 0.00 H new ATOM 1436 N ALA A 93 10.767 14.784 37.690 1.00 0.00 N ATOM 1437 CA ALA A 93 9.563 15.129 36.944 1.00 0.00 C ATOM 1438 C ALA A 93 8.544 13.999 37.050 1.00 0.00 C ATOM 1439 O ALA A 93 8.804 12.979 37.689 1.00 0.00 O ATOM 1440 CB ALA A 93 9.903 15.384 35.482 1.00 0.00 C ATOM 0 H ALA A 93 10.906 13.782 37.822 1.00 0.00 H new ATOM 0 HA ALA A 93 9.136 16.037 37.369 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.995 15.641 34.937 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.613 16.208 35.412 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.345 14.486 35.049 1.00 0.00 H new ATOM 1446 N PRO A 94 7.368 14.162 36.423 1.00 0.00 N ATOM 1447 CA PRO A 94 6.310 13.145 36.453 1.00 0.00 C ATOM 1448 C PRO A 94 6.584 12.005 35.479 1.00 0.00 C ATOM 1449 O PRO A 94 5.940 11.967 34.410 1.00 0.00 O ATOM 1450 CB PRO A 94 5.057 13.909 36.051 1.00 0.00 C ATOM 1451 CG PRO A 94 5.536 15.078 35.249 1.00 0.00 C ATOM 1452 CD PRO A 94 6.972 15.343 35.639 1.00 0.00 C ATOM 0 HA PRO A 94 6.228 12.671 37.431 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.386 13.281 35.465 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.500 14.238 36.929 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.462 14.867 34.182 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.918 15.955 35.444 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.605 15.466 34.760 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.061 16.257 36.226 1.00 0.00 H new TER 1460 PRO A 94