USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 83 SER OG : rot -130:sc= 0.693 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -101:sc= 0.169 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 0:sc= -0.289 USER MOD Single : A 19 THR OG1 : rot -76:sc= 0.0171 USER MOD Single : A 25 SER OG : rot -155:sc= 0.285 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.18! C(o=-3.2!,f=-9.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 46 GLN : amide:sc= -0.845 K(o=-0.85,f=-2.5!) USER MOD Single : A 50 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.626) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.691 K(o=-0.69,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.04 K(o=-2,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.48) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0633 USER MOD Single : A 87 ASN : amide:sc= -0.0903 K(o=-0.09,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.522 0.392 0.273 1.00 0.00 N ATOM 2 CA ALA A 1 2.249 0.297 -0.987 1.00 0.00 C ATOM 3 C ALA A 1 3.121 1.527 -1.211 1.00 0.00 C ATOM 4 O ALA A 1 2.623 2.653 -1.255 1.00 0.00 O ATOM 5 CB ALA A 1 1.277 0.118 -2.144 1.00 0.00 C ATOM 0 H1 ALA A 1 0.936 -0.458 0.401 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.198 0.468 1.059 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.912 1.234 0.259 1.00 0.00 H new ATOM 0 HA ALA A 1 2.902 -0.574 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.833 0.048 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.700 -0.795 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.601 0.972 -2.187 1.00 0.00 H new ATOM 11 N ILE A 2 4.424 1.306 -1.352 1.00 0.00 N ATOM 12 CA ILE A 2 5.364 2.397 -1.572 1.00 0.00 C ATOM 13 C ILE A 2 5.294 2.903 -3.009 1.00 0.00 C ATOM 14 O ILE A 2 5.602 2.172 -3.951 1.00 0.00 O ATOM 15 CB ILE A 2 6.810 1.966 -1.262 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.937 1.548 0.204 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.780 3.093 -1.584 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.573 0.102 0.454 1.00 0.00 C ATOM 0 H ILE A 2 4.852 0.381 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 2 5.079 3.200 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 2 7.060 1.109 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.962 1.719 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.296 2.186 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.797 2.773 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.705 3.347 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.534 3.968 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.686 -0.124 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.539 -0.070 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.231 -0.544 -0.127 1.00 0.00 H new ATOM 30 N SER A 3 4.886 4.158 -3.170 1.00 0.00 N ATOM 31 CA SER A 3 4.773 4.761 -4.493 1.00 0.00 C ATOM 32 C SER A 3 6.050 5.511 -4.859 1.00 0.00 C ATOM 33 O SER A 3 6.851 5.039 -5.667 1.00 0.00 O ATOM 34 CB SER A 3 3.577 5.714 -4.541 1.00 0.00 C ATOM 35 OG SER A 3 3.537 6.420 -5.769 1.00 0.00 O ATOM 0 H SER A 3 4.628 4.777 -2.401 1.00 0.00 H new ATOM 0 HA SER A 3 4.621 3.962 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.653 5.150 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.638 6.421 -3.713 1.00 0.00 H new ATOM 0 HG SER A 3 2.763 7.021 -5.776 1.00 0.00 H new ATOM 41 N CYS A 4 6.234 6.682 -4.259 1.00 0.00 N ATOM 42 CA CYS A 4 7.412 7.500 -4.521 1.00 0.00 C ATOM 43 C CYS A 4 7.425 8.737 -3.628 1.00 0.00 C ATOM 44 O CYS A 4 8.415 9.021 -2.956 1.00 0.00 O ATOM 45 CB CYS A 4 7.452 7.918 -5.992 1.00 0.00 C ATOM 46 SG CYS A 4 9.099 7.781 -6.759 1.00 0.00 S ATOM 0 H CYS A 4 5.582 7.086 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 4 8.296 6.903 -4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.749 7.302 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.109 8.949 -6.075 1.00 0.00 H new ATOM 51 N GLY A 5 6.315 9.471 -3.627 1.00 0.00 N ATOM 52 CA GLY A 5 6.219 10.669 -2.814 1.00 0.00 C ATOM 53 C GLY A 5 6.526 10.405 -1.353 1.00 0.00 C ATOM 54 O GLY A 5 7.228 11.184 -0.709 1.00 0.00 O ATOM 0 H GLY A 5 5.482 9.257 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.909 11.420 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.215 11.084 -2.902 1.00 0.00 H new ATOM 58 N ALA A 6 5.999 9.303 -0.829 1.00 0.00 N ATOM 59 CA ALA A 6 6.221 8.938 0.565 1.00 0.00 C ATOM 60 C ALA A 6 7.692 8.629 0.824 1.00 0.00 C ATOM 61 O ALA A 6 8.162 8.704 1.959 1.00 0.00 O ATOM 62 CB ALA A 6 5.355 7.746 0.943 1.00 0.00 C ATOM 0 H ALA A 6 5.415 8.648 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 6 5.940 9.788 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.531 7.485 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.304 8.001 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.608 6.897 0.308 1.00 0.00 H new ATOM 68 N VAL A 7 8.414 8.282 -0.237 1.00 0.00 N ATOM 69 CA VAL A 7 9.832 7.962 -0.124 1.00 0.00 C ATOM 70 C VAL A 7 10.671 9.226 0.024 1.00 0.00 C ATOM 71 O VAL A 7 11.519 9.323 0.911 1.00 0.00 O ATOM 72 CB VAL A 7 10.328 7.170 -1.349 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.801 6.821 -1.198 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.492 5.915 -1.546 1.00 0.00 C ATOM 0 H VAL A 7 8.040 8.215 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 7 9.947 7.347 0.768 1.00 0.00 H new ATOM 0 HB VAL A 7 10.216 7.796 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.134 6.262 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.385 7.737 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.941 6.214 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.856 5.368 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.570 5.283 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.450 6.193 -1.703 1.00 0.00 H new ATOM 84 N THR A 8 10.428 10.197 -0.852 1.00 0.00 N ATOM 85 CA THR A 8 11.161 11.456 -0.821 1.00 0.00 C ATOM 86 C THR A 8 10.867 12.231 0.459 1.00 0.00 C ATOM 87 O THR A 8 11.573 13.181 0.796 1.00 0.00 O ATOM 88 CB THR A 8 10.813 12.339 -2.034 1.00 0.00 C ATOM 89 OG1 THR A 8 10.764 11.541 -3.222 1.00 0.00 O ATOM 90 CG2 THR A 8 11.838 13.450 -2.206 1.00 0.00 C ATOM 0 H THR A 8 9.729 10.135 -1.592 1.00 0.00 H new ATOM 0 HA THR A 8 12.221 11.206 -0.856 1.00 0.00 H new ATOM 0 HB THR A 8 9.837 12.791 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.541 12.109 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.571 14.061 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.853 14.073 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.825 13.014 -2.361 1.00 0.00 H new ATOM 98 N SER A 9 9.821 11.819 1.168 1.00 0.00 N ATOM 99 CA SER A 9 9.432 12.477 2.409 1.00 0.00 C ATOM 100 C SER A 9 10.603 12.532 3.385 1.00 0.00 C ATOM 101 O SER A 9 10.823 13.544 4.052 1.00 0.00 O ATOM 102 CB SER A 9 8.252 11.745 3.052 1.00 0.00 C ATOM 103 OG SER A 9 8.701 10.739 3.943 1.00 0.00 O ATOM 0 H SER A 9 9.228 11.032 0.904 1.00 0.00 H new ATOM 0 HA SER A 9 9.131 13.497 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.626 12.458 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.631 11.297 2.276 1.00 0.00 H new ATOM 0 HG SER A 9 8.644 9.864 3.505 1.00 0.00 H new ATOM 109 N ASP A 10 11.352 11.438 3.463 1.00 0.00 N ATOM 110 CA ASP A 10 12.502 11.360 4.356 1.00 0.00 C ATOM 111 C ASP A 10 13.695 12.112 3.773 1.00 0.00 C ATOM 112 O ASP A 10 14.538 12.626 4.509 1.00 0.00 O ATOM 113 CB ASP A 10 12.879 9.900 4.611 1.00 0.00 C ATOM 114 CG ASP A 10 11.674 8.980 4.598 1.00 0.00 C ATOM 115 OD1 ASP A 10 10.613 9.385 5.119 1.00 0.00 O ATOM 116 OD2 ASP A 10 11.791 7.855 4.068 1.00 0.00 O ATOM 0 H ASP A 10 11.183 10.592 2.918 1.00 0.00 H new ATOM 0 HA ASP A 10 12.228 11.827 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.590 9.574 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.383 9.821 5.574 1.00 0.00 H new ATOM 121 N LEU A 11 13.760 12.170 2.448 1.00 0.00 N ATOM 122 CA LEU A 11 14.850 12.858 1.765 1.00 0.00 C ATOM 123 C LEU A 11 14.725 14.370 1.924 1.00 0.00 C ATOM 124 O LEU A 11 15.726 15.083 1.979 1.00 0.00 O ATOM 125 CB LEU A 11 14.861 12.490 0.280 1.00 0.00 C ATOM 126 CG LEU A 11 15.142 11.022 -0.045 1.00 0.00 C ATOM 127 CD1 LEU A 11 14.690 10.693 -1.459 1.00 0.00 C ATOM 128 CD2 LEU A 11 16.621 10.711 0.130 1.00 0.00 C ATOM 0 H LEU A 11 13.071 11.749 1.825 1.00 0.00 H new ATOM 0 HA LEU A 11 15.788 12.540 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.895 12.758 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.611 13.102 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 11 14.576 10.401 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.898 9.645 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.620 10.877 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.228 11.321 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.803 9.662 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.207 11.340 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.915 10.907 1.161 1.00 0.00 H new ATOM 140 N SER A 12 13.488 14.851 2.001 1.00 0.00 N ATOM 141 CA SER A 12 13.231 16.279 2.153 1.00 0.00 C ATOM 142 C SER A 12 14.034 16.854 3.316 1.00 0.00 C ATOM 143 O SER A 12 14.838 17.772 3.155 1.00 0.00 O ATOM 144 CB SER A 12 11.739 16.529 2.375 1.00 0.00 C ATOM 145 OG SER A 12 11.067 16.733 1.144 1.00 0.00 O ATOM 0 H SER A 12 12.648 14.273 1.961 1.00 0.00 H new ATOM 0 HA SER A 12 13.543 16.779 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.299 15.679 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.605 17.401 3.015 1.00 0.00 H new ATOM 0 HG SER A 12 10.114 16.889 1.313 1.00 0.00 H new ATOM 151 N PRO A 13 13.811 16.302 4.518 1.00 0.00 N ATOM 152 CA PRO A 13 14.503 16.743 5.733 1.00 0.00 C ATOM 153 C PRO A 13 15.981 16.369 5.726 1.00 0.00 C ATOM 154 O PRO A 13 16.813 17.075 6.297 1.00 0.00 O ATOM 155 CB PRO A 13 13.768 15.998 6.850 1.00 0.00 C ATOM 156 CG PRO A 13 13.201 14.789 6.190 1.00 0.00 C ATOM 157 CD PRO A 13 12.867 15.203 4.784 1.00 0.00 C ATOM 0 HA PRO A 13 14.485 17.827 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.447 15.726 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.983 16.615 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.919 13.969 6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.312 14.438 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.999 14.381 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.832 15.533 4.697 1.00 0.00 H new ATOM 165 N CYS A 14 16.302 15.256 5.076 1.00 0.00 N ATOM 166 CA CYS A 14 17.681 14.787 4.994 1.00 0.00 C ATOM 167 C CYS A 14 18.429 15.492 3.866 1.00 0.00 C ATOM 168 O CYS A 14 19.605 15.221 3.622 1.00 0.00 O ATOM 169 CB CYS A 14 17.715 13.273 4.776 1.00 0.00 C ATOM 170 SG CYS A 14 17.910 12.306 6.307 1.00 0.00 S ATOM 0 H CYS A 14 15.626 14.661 4.598 1.00 0.00 H new ATOM 0 HA CYS A 14 18.175 15.022 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.793 12.967 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.535 13.032 4.100 1.00 0.00 H new ATOM 175 N LEU A 15 17.738 16.397 3.181 1.00 0.00 N ATOM 176 CA LEU A 15 18.336 17.142 2.078 1.00 0.00 C ATOM 177 C LEU A 15 19.661 17.769 2.500 1.00 0.00 C ATOM 178 O LEU A 15 20.703 17.515 1.895 1.00 0.00 O ATOM 179 CB LEU A 15 17.376 18.229 1.591 1.00 0.00 C ATOM 180 CG LEU A 15 16.412 17.822 0.476 1.00 0.00 C ATOM 181 CD1 LEU A 15 15.500 18.982 0.110 1.00 0.00 C ATOM 182 CD2 LEU A 15 17.182 17.339 -0.745 1.00 0.00 C ATOM 0 H LEU A 15 16.764 16.633 3.370 1.00 0.00 H new ATOM 0 HA LEU A 15 18.529 16.445 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.790 18.576 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.966 19.077 1.243 1.00 0.00 H new ATOM 0 HG LEU A 15 15.793 17.001 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.821 18.674 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.923 19.281 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.102 19.824 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.480 17.054 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.826 18.139 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.792 16.478 -0.473 1.00 0.00 H new ATOM 194 N THR A 16 19.615 18.590 3.546 1.00 0.00 N ATOM 195 CA THR A 16 20.811 19.253 4.050 1.00 0.00 C ATOM 196 C THR A 16 21.873 18.238 4.454 1.00 0.00 C ATOM 197 O THR A 16 23.053 18.571 4.566 1.00 0.00 O ATOM 198 CB THR A 16 20.488 20.150 5.260 1.00 0.00 C ATOM 199 OG1 THR A 16 19.397 21.023 4.945 1.00 0.00 O ATOM 200 CG2 THR A 16 21.702 20.973 5.663 1.00 0.00 C ATOM 0 H THR A 16 18.762 18.811 4.060 1.00 0.00 H new ATOM 0 HA THR A 16 21.194 19.873 3.239 1.00 0.00 H new ATOM 0 HB THR A 16 20.210 19.508 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 16 19.197 21.589 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 16 21.450 21.598 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 16 22.522 20.306 5.930 1.00 0.00 H new ATOM 0 HG23 THR A 16 22.006 21.605 4.829 1.00 0.00 H new ATOM 208 N TYR A 17 21.448 16.998 4.672 1.00 0.00 N ATOM 209 CA TYR A 17 22.363 15.934 5.066 1.00 0.00 C ATOM 210 C TYR A 17 22.997 15.280 3.842 1.00 0.00 C ATOM 211 O TYR A 17 24.198 15.004 3.822 1.00 0.00 O ATOM 212 CB TYR A 17 21.628 14.881 5.897 1.00 0.00 C ATOM 213 CG TYR A 17 22.551 13.924 6.616 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.685 14.385 7.275 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.291 12.560 6.637 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.532 13.515 7.934 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.132 11.682 7.294 1.00 0.00 C ATOM 218 CZ TYR A 17 24.251 12.165 7.941 1.00 0.00 C ATOM 219 OH TYR A 17 25.091 11.294 8.595 1.00 0.00 O ATOM 0 H TYR A 17 20.475 16.705 4.582 1.00 0.00 H new ATOM 0 HA TYR A 17 23.155 16.376 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.998 15.384 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.966 14.312 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.908 15.442 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.416 12.179 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.409 13.890 8.441 1.00 0.00 H new ATOM 0 HE2 TYR A 17 22.915 10.624 7.301 1.00 0.00 H new ATOM 0 HH TYR A 17 25.832 11.794 8.996 1.00 0.00 H new ATOM 229 N LEU A 18 22.183 15.036 2.821 1.00 0.00 N ATOM 230 CA LEU A 18 22.662 14.415 1.591 1.00 0.00 C ATOM 231 C LEU A 18 23.457 15.411 0.753 1.00 0.00 C ATOM 232 O LEU A 18 24.077 15.043 -0.246 1.00 0.00 O ATOM 233 CB LEU A 18 21.486 13.872 0.779 1.00 0.00 C ATOM 234 CG LEU A 18 20.666 12.764 1.442 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.409 12.475 0.636 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.503 11.503 1.600 1.00 0.00 C ATOM 0 H LEU A 18 21.188 15.259 2.821 1.00 0.00 H new ATOM 0 HA LEU A 18 23.320 13.589 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.818 14.701 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.869 13.495 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 18 20.366 13.103 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.838 11.684 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.800 13.377 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.686 12.156 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.904 10.725 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.833 11.160 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.373 11.719 2.221 1.00 0.00 H new ATOM 248 N THR A 19 23.438 16.674 1.167 1.00 0.00 N ATOM 249 CA THR A 19 24.158 17.723 0.456 1.00 0.00 C ATOM 250 C THR A 19 25.537 17.953 1.063 1.00 0.00 C ATOM 251 O THR A 19 26.333 18.732 0.542 1.00 0.00 O ATOM 252 CB THR A 19 23.375 19.049 0.470 1.00 0.00 C ATOM 253 OG1 THR A 19 22.809 19.271 1.766 1.00 0.00 O ATOM 254 CG2 THR A 19 22.271 19.038 -0.577 1.00 0.00 C ATOM 0 H THR A 19 22.931 16.995 1.992 1.00 0.00 H new ATOM 0 HA THR A 19 24.270 17.387 -0.575 1.00 0.00 H new ATOM 0 HB THR A 19 24.068 19.856 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 19 22.021 18.699 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.732 19.985 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.709 18.900 -1.566 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.580 18.221 -0.369 1.00 0.00 H new ATOM 262 N GLY A 20 25.813 17.268 2.169 1.00 0.00 N ATOM 263 CA GLY A 20 27.098 17.411 2.829 1.00 0.00 C ATOM 264 C GLY A 20 27.010 18.244 4.093 1.00 0.00 C ATOM 265 O GLY A 20 28.030 18.659 4.643 1.00 0.00 O ATOM 0 H GLY A 20 25.170 16.617 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.489 16.424 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.807 17.873 2.142 1.00 0.00 H new ATOM 269 N GLY A 21 25.788 18.492 4.553 1.00 0.00 N ATOM 270 CA GLY A 21 25.594 19.281 5.756 1.00 0.00 C ATOM 271 C GLY A 21 25.446 18.422 6.996 1.00 0.00 C ATOM 272 O GLY A 21 25.738 17.226 6.987 1.00 0.00 O ATOM 0 H GLY A 21 24.929 18.161 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 21 26.440 19.956 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.706 19.902 5.640 1.00 0.00 H new ATOM 276 N PRO A 22 24.982 19.037 8.094 1.00 0.00 N ATOM 277 CA PRO A 22 24.787 18.340 9.368 1.00 0.00 C ATOM 278 C PRO A 22 23.628 17.349 9.315 1.00 0.00 C ATOM 279 O PRO A 22 22.731 17.472 8.482 1.00 0.00 O ATOM 280 CB PRO A 22 24.476 19.473 10.349 1.00 0.00 C ATOM 281 CG PRO A 22 23.913 20.562 9.503 1.00 0.00 C ATOM 282 CD PRO A 22 24.614 20.460 8.176 1.00 0.00 C ATOM 0 HA PRO A 22 25.658 17.745 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 22 23.763 19.154 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 22 25.374 19.802 10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 22 22.836 20.447 9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 22 24.081 21.537 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.962 20.755 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 22 25.492 21.105 8.134 1.00 0.00 H new ATOM 290 N GLY A 23 23.654 16.366 10.210 1.00 0.00 N ATOM 291 CA GLY A 23 22.601 15.369 10.248 1.00 0.00 C ATOM 292 C GLY A 23 23.114 13.998 10.641 1.00 0.00 C ATOM 293 O GLY A 23 24.250 13.842 11.088 1.00 0.00 O ATOM 0 H GLY A 23 24.386 16.243 10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.833 15.683 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 23 22.126 15.309 9.269 1.00 0.00 H new ATOM 297 N PRO A 24 22.263 12.974 10.478 1.00 0.00 N ATOM 298 CA PRO A 24 20.907 13.148 9.948 1.00 0.00 C ATOM 299 C PRO A 24 19.993 13.880 10.925 1.00 0.00 C ATOM 300 O PRO A 24 20.109 13.717 12.139 1.00 0.00 O ATOM 301 CB PRO A 24 20.422 11.712 9.735 1.00 0.00 C ATOM 302 CG PRO A 24 21.216 10.898 10.697 1.00 0.00 C ATOM 303 CD PRO A 24 22.559 11.568 10.798 1.00 0.00 C ATOM 0 HA PRO A 24 20.898 13.754 9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.353 11.622 9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.589 11.386 8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.727 10.857 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.318 9.871 10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.986 11.464 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.276 11.139 10.098 1.00 0.00 H new ATOM 311 N SER A 25 19.083 14.686 10.386 1.00 0.00 N ATOM 312 CA SER A 25 18.151 15.445 11.211 1.00 0.00 C ATOM 313 C SER A 25 17.188 14.513 11.940 1.00 0.00 C ATOM 314 O SER A 25 17.035 13.342 11.594 1.00 0.00 O ATOM 315 CB SER A 25 17.365 16.436 10.350 1.00 0.00 C ATOM 316 OG SER A 25 17.211 15.952 9.027 1.00 0.00 O ATOM 0 H SER A 25 18.972 14.830 9.382 1.00 0.00 H new ATOM 0 HA SER A 25 18.728 15.997 11.953 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.385 16.610 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.881 17.396 10.332 1.00 0.00 H new ATOM 0 HG SER A 25 17.085 16.707 8.415 1.00 0.00 H new ATOM 322 N PRO A 26 16.521 15.045 12.976 1.00 0.00 N ATOM 323 CA PRO A 26 15.561 14.279 13.776 1.00 0.00 C ATOM 324 C PRO A 26 14.290 13.952 13.000 1.00 0.00 C ATOM 325 O PRO A 26 13.828 12.812 13.001 1.00 0.00 O ATOM 326 CB PRO A 26 15.247 15.216 14.945 1.00 0.00 C ATOM 327 CG PRO A 26 15.518 16.583 14.419 1.00 0.00 C ATOM 328 CD PRO A 26 16.654 16.434 13.445 1.00 0.00 C ATOM 0 HA PRO A 26 15.964 13.313 14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.211 15.114 15.267 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.872 14.993 15.810 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.636 16.995 13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.783 17.266 15.226 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.574 17.145 12.623 1.00 0.00 H new ATOM 0 HD3 PRO A 26 17.618 16.606 13.923 1.00 0.00 H new ATOM 336 N GLN A 27 13.730 14.960 12.338 1.00 0.00 N ATOM 337 CA GLN A 27 12.512 14.778 11.558 1.00 0.00 C ATOM 338 C GLN A 27 12.708 13.715 10.482 1.00 0.00 C ATOM 339 O GLN A 27 11.814 12.910 10.220 1.00 0.00 O ATOM 340 CB GLN A 27 12.091 16.100 10.914 1.00 0.00 C ATOM 341 CG GLN A 27 11.318 17.014 11.852 1.00 0.00 C ATOM 342 CD GLN A 27 11.458 18.479 11.485 1.00 0.00 C ATOM 343 OE1 GLN A 27 12.340 19.175 11.989 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.587 18.955 10.604 1.00 0.00 N ATOM 0 H GLN A 27 14.100 15.910 12.327 1.00 0.00 H new ATOM 0 HA GLN A 27 11.725 14.444 12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.980 16.623 10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.477 15.889 10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.264 16.738 11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.671 16.864 12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.872 18.342 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.632 19.933 10.319 1.00 0.00 H new ATOM 353 N CYS A 28 13.883 13.719 9.861 1.00 0.00 N ATOM 354 CA CYS A 28 14.197 12.756 8.813 1.00 0.00 C ATOM 355 C CYS A 28 14.192 11.332 9.363 1.00 0.00 C ATOM 356 O CYS A 28 13.532 10.447 8.818 1.00 0.00 O ATOM 357 CB CYS A 28 15.561 13.070 8.194 1.00 0.00 C ATOM 358 SG CYS A 28 16.149 11.814 7.014 1.00 0.00 S ATOM 0 H CYS A 28 14.633 14.379 10.066 1.00 0.00 H new ATOM 0 HA CYS A 28 13.429 12.832 8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.504 14.032 7.685 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.295 13.174 8.993 1.00 0.00 H new ATOM 363 N CYS A 29 14.933 11.119 10.445 1.00 0.00 N ATOM 364 CA CYS A 29 15.015 9.804 11.070 1.00 0.00 C ATOM 365 C CYS A 29 13.624 9.205 11.260 1.00 0.00 C ATOM 366 O CYS A 29 13.398 8.031 10.970 1.00 0.00 O ATOM 367 CB CYS A 29 15.729 9.901 12.419 1.00 0.00 C ATOM 368 SG CYS A 29 17.542 10.029 12.293 1.00 0.00 S ATOM 0 H CYS A 29 15.486 11.841 10.908 1.00 0.00 H new ATOM 0 HA CYS A 29 15.586 9.151 10.411 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.351 10.770 12.957 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.478 9.024 13.015 1.00 0.00 H new ATOM 373 N GLY A 30 12.696 10.021 11.749 1.00 0.00 N ATOM 374 CA GLY A 30 11.339 9.554 11.969 1.00 0.00 C ATOM 375 C GLY A 30 10.658 9.124 10.685 1.00 0.00 C ATOM 376 O GLY A 30 9.939 8.126 10.659 1.00 0.00 O ATOM 0 H GLY A 30 12.859 10.997 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.355 8.716 12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.757 10.347 12.437 1.00 0.00 H new ATOM 380 N GLY A 31 10.885 9.879 9.614 1.00 0.00 N ATOM 381 CA GLY A 31 10.279 9.556 8.336 1.00 0.00 C ATOM 382 C GLY A 31 10.904 8.334 7.691 1.00 0.00 C ATOM 383 O GLY A 31 10.204 7.500 7.117 1.00 0.00 O ATOM 0 H GLY A 31 11.478 10.709 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.212 9.383 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.378 10.409 7.664 1.00 0.00 H new ATOM 387 N VAL A 32 12.225 8.228 7.784 1.00 0.00 N ATOM 388 CA VAL A 32 12.944 7.100 7.205 1.00 0.00 C ATOM 389 C VAL A 32 12.383 5.774 7.707 1.00 0.00 C ATOM 390 O VAL A 32 12.003 4.909 6.917 1.00 0.00 O ATOM 391 CB VAL A 32 14.448 7.165 7.532 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.139 5.870 7.131 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.092 8.358 6.842 1.00 0.00 C ATOM 0 H VAL A 32 12.819 8.910 8.255 1.00 0.00 H new ATOM 0 HA VAL A 32 12.812 7.162 6.125 1.00 0.00 H new ATOM 0 HB VAL A 32 14.562 7.291 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.201 5.935 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.695 5.037 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.017 5.709 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.154 8.388 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.968 8.265 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.616 9.277 7.184 1.00 0.00 H new ATOM 403 N LYS A 33 12.334 5.620 9.025 1.00 0.00 N ATOM 404 CA LYS A 33 11.817 4.401 9.635 1.00 0.00 C ATOM 405 C LYS A 33 10.411 4.093 9.130 1.00 0.00 C ATOM 406 O LYS A 33 9.984 2.939 9.115 1.00 0.00 O ATOM 407 CB LYS A 33 11.805 4.534 11.160 1.00 0.00 C ATOM 408 CG LYS A 33 13.126 4.168 11.813 1.00 0.00 C ATOM 409 CD LYS A 33 13.106 4.446 13.306 1.00 0.00 C ATOM 410 CE LYS A 33 14.162 3.634 14.039 1.00 0.00 C ATOM 411 NZ LYS A 33 13.575 2.829 15.146 1.00 0.00 N ATOM 0 H LYS A 33 12.646 6.325 9.692 1.00 0.00 H new ATOM 0 HA LYS A 33 12.473 3.578 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.551 5.560 11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.020 3.896 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.338 3.113 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.932 4.735 11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.276 5.508 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.121 4.210 13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.664 2.971 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.921 4.305 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.328 2.290 15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.118 3.463 15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.869 2.171 14.760 1.00 0.00 H new ATOM 425 N LYS A 34 9.696 5.133 8.714 1.00 0.00 N ATOM 426 CA LYS A 34 8.339 4.975 8.205 1.00 0.00 C ATOM 427 C LYS A 34 8.340 4.220 6.879 1.00 0.00 C ATOM 428 O LYS A 34 7.497 3.352 6.647 1.00 0.00 O ATOM 429 CB LYS A 34 7.677 6.343 8.024 1.00 0.00 C ATOM 430 CG LYS A 34 6.159 6.293 8.057 1.00 0.00 C ATOM 431 CD LYS A 34 5.547 7.420 7.242 1.00 0.00 C ATOM 432 CE LYS A 34 5.226 8.626 8.111 1.00 0.00 C ATOM 433 NZ LYS A 34 5.411 9.906 7.372 1.00 0.00 N ATOM 0 H LYS A 34 10.034 6.095 8.719 1.00 0.00 H new ATOM 0 HA LYS A 34 7.770 4.396 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.027 7.014 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.998 6.770 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.817 5.334 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.814 6.360 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.236 7.714 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.637 7.067 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.197 8.556 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.867 8.620 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.182 10.704 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.399 9.985 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.781 9.923 6.545 1.00 0.00 H new ATOM 447 N LEU A 35 9.292 4.553 6.015 1.00 0.00 N ATOM 448 CA LEU A 35 9.403 3.905 4.712 1.00 0.00 C ATOM 449 C LEU A 35 9.749 2.427 4.867 1.00 0.00 C ATOM 450 O LEU A 35 9.139 1.566 4.233 1.00 0.00 O ATOM 451 CB LEU A 35 10.466 4.603 3.863 1.00 0.00 C ATOM 452 CG LEU A 35 10.571 4.144 2.408 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.223 5.220 1.554 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.351 2.841 2.314 1.00 0.00 C ATOM 0 H LEU A 35 9.998 5.267 6.192 1.00 0.00 H new ATOM 0 HA LEU A 35 8.438 3.983 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.263 5.674 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.436 4.458 4.340 1.00 0.00 H new ATOM 0 HG LEU A 35 9.564 3.969 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.289 4.875 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.624 6.130 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.224 5.428 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.415 2.530 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.355 2.989 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.842 2.070 2.892 1.00 0.00 H new ATOM 466 N LEU A 36 10.731 2.141 5.716 1.00 0.00 N ATOM 467 CA LEU A 36 11.157 0.767 5.957 1.00 0.00 C ATOM 468 C LEU A 36 10.100 -0.002 6.743 1.00 0.00 C ATOM 469 O LEU A 36 10.029 -1.228 6.671 1.00 0.00 O ATOM 470 CB LEU A 36 12.486 0.750 6.715 1.00 0.00 C ATOM 471 CG LEU A 36 13.750 0.771 5.855 1.00 0.00 C ATOM 472 CD1 LEU A 36 14.952 1.196 6.683 1.00 0.00 C ATOM 473 CD2 LEU A 36 13.989 -0.593 5.224 1.00 0.00 C ATOM 0 H LEU A 36 11.246 2.842 6.248 1.00 0.00 H new ATOM 0 HA LEU A 36 11.290 0.280 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.511 1.611 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.512 -0.141 7.342 1.00 0.00 H new ATOM 0 HG LEU A 36 13.610 1.499 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 36 15.842 1.205 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.782 2.195 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.095 0.493 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 14.893 -0.559 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.107 -1.341 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.138 -0.857 4.596 1.00 0.00 H new ATOM 485 N ALA A 37 9.279 0.729 7.491 1.00 0.00 N ATOM 486 CA ALA A 37 8.223 0.116 8.287 1.00 0.00 C ATOM 487 C ALA A 37 7.015 -0.230 7.423 1.00 0.00 C ATOM 488 O ALA A 37 6.267 -1.158 7.728 1.00 0.00 O ATOM 489 CB ALA A 37 7.814 1.042 9.423 1.00 0.00 C ATOM 0 H ALA A 37 9.325 1.745 7.562 1.00 0.00 H new ATOM 0 HA ALA A 37 8.612 -0.810 8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.025 0.572 10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.675 1.235 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.449 1.983 9.012 1.00 0.00 H new ATOM 495 N ALA A 38 6.830 0.524 6.344 1.00 0.00 N ATOM 496 CA ALA A 38 5.713 0.296 5.435 1.00 0.00 C ATOM 497 C ALA A 38 6.053 -0.777 4.406 1.00 0.00 C ATOM 498 O ALA A 38 5.216 -1.151 3.586 1.00 0.00 O ATOM 499 CB ALA A 38 5.324 1.592 4.741 1.00 0.00 C ATOM 0 H ALA A 38 7.439 1.298 6.078 1.00 0.00 H new ATOM 0 HA ALA A 38 4.865 -0.057 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.489 1.407 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.030 2.330 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.174 1.969 4.172 1.00 0.00 H new ATOM 505 N ALA A 39 7.288 -1.266 4.454 1.00 0.00 N ATOM 506 CA ALA A 39 7.738 -2.297 3.526 1.00 0.00 C ATOM 507 C ALA A 39 8.284 -3.508 4.274 1.00 0.00 C ATOM 508 O ALA A 39 9.271 -3.407 5.002 1.00 0.00 O ATOM 509 CB ALA A 39 8.793 -1.735 2.585 1.00 0.00 C ATOM 0 H ALA A 39 7.995 -0.965 5.125 1.00 0.00 H new ATOM 0 HA ALA A 39 6.880 -2.623 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.120 -2.515 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.370 -0.906 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.646 -1.381 3.164 1.00 0.00 H new ATOM 515 N ASN A 40 7.636 -4.654 4.089 1.00 0.00 N ATOM 516 CA ASN A 40 8.057 -5.885 4.748 1.00 0.00 C ATOM 517 C ASN A 40 8.408 -6.958 3.722 1.00 0.00 C ATOM 518 O ASN A 40 9.299 -7.779 3.945 1.00 0.00 O ATOM 519 CB ASN A 40 6.953 -6.393 5.677 1.00 0.00 C ATOM 520 CG ASN A 40 5.568 -6.192 5.094 1.00 0.00 C ATOM 521 OD1 ASN A 40 5.306 -6.557 3.948 1.00 0.00 O ATOM 522 ND2 ASN A 40 4.673 -5.609 5.883 1.00 0.00 N ATOM 0 H ASN A 40 6.818 -4.756 3.488 1.00 0.00 H new ATOM 0 HA ASN A 40 8.947 -5.667 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.110 -7.453 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.020 -5.875 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.724 -5.448 5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.934 -5.323 6.826 1.00 0.00 H new ATOM 529 N THR A 41 7.701 -6.946 2.596 1.00 0.00 N ATOM 530 CA THR A 41 7.937 -7.918 1.535 1.00 0.00 C ATOM 531 C THR A 41 9.049 -7.454 0.602 1.00 0.00 C ATOM 532 O THR A 41 9.680 -6.422 0.834 1.00 0.00 O ATOM 533 CB THR A 41 6.661 -8.170 0.710 1.00 0.00 C ATOM 534 OG1 THR A 41 6.369 -7.027 -0.102 1.00 0.00 O ATOM 535 CG2 THR A 41 5.478 -8.467 1.620 1.00 0.00 C ATOM 0 H THR A 41 6.960 -6.274 2.395 1.00 0.00 H new ATOM 0 HA THR A 41 8.237 -8.848 2.019 1.00 0.00 H new ATOM 0 HB THR A 41 6.834 -9.035 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.557 -7.196 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.588 -8.642 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.691 -9.354 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.306 -7.618 2.282 1.00 0.00 H new ATOM 543 N THR A 42 9.285 -8.222 -0.458 1.00 0.00 N ATOM 544 CA THR A 42 10.322 -7.889 -1.427 1.00 0.00 C ATOM 545 C THR A 42 9.823 -6.858 -2.433 1.00 0.00 C ATOM 546 O THR A 42 10.473 -5.845 -2.694 1.00 0.00 O ATOM 547 CB THR A 42 10.803 -9.140 -2.186 1.00 0.00 C ATOM 548 OG1 THR A 42 10.630 -10.305 -1.371 1.00 0.00 O ATOM 549 CG2 THR A 42 12.265 -9.004 -2.581 1.00 0.00 C ATOM 0 H THR A 42 8.772 -9.078 -0.667 1.00 0.00 H new ATOM 0 HA THR A 42 11.157 -7.470 -0.866 1.00 0.00 H new ATOM 0 HB THR A 42 10.206 -9.240 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.937 -11.096 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.582 -9.899 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.388 -8.134 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.874 -8.881 -1.685 1.00 0.00 H new ATOM 557 N PRO A 43 8.642 -7.118 -3.012 1.00 0.00 N ATOM 558 CA PRO A 43 8.030 -6.223 -3.998 1.00 0.00 C ATOM 559 C PRO A 43 8.032 -4.768 -3.541 1.00 0.00 C ATOM 560 O PRO A 43 8.421 -3.872 -4.290 1.00 0.00 O ATOM 561 CB PRO A 43 6.596 -6.746 -4.110 1.00 0.00 C ATOM 562 CG PRO A 43 6.686 -8.183 -3.727 1.00 0.00 C ATOM 563 CD PRO A 43 7.813 -8.306 -2.748 1.00 0.00 C ATOM 0 HA PRO A 43 8.574 -6.225 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.923 -6.201 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.210 -6.630 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.751 -8.523 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.867 -8.805 -4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.450 -8.320 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.375 -9.227 -2.900 1.00 0.00 H new ATOM 571 N ASP A 44 7.596 -4.540 -2.307 1.00 0.00 N ATOM 572 CA ASP A 44 7.549 -3.194 -1.749 1.00 0.00 C ATOM 573 C ASP A 44 8.954 -2.616 -1.605 1.00 0.00 C ATOM 574 O ASP A 44 9.183 -1.439 -1.883 1.00 0.00 O ATOM 575 CB ASP A 44 6.847 -3.206 -0.390 1.00 0.00 C ATOM 576 CG ASP A 44 5.351 -2.992 -0.508 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.942 -1.990 -1.131 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.589 -3.828 0.020 1.00 0.00 O ATOM 0 H ASP A 44 7.270 -5.270 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 44 6.984 -2.563 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.037 -4.158 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.273 -2.428 0.243 1.00 0.00 H new ATOM 583 N ARG A 45 9.890 -3.452 -1.168 1.00 0.00 N ATOM 584 CA ARG A 45 11.271 -3.024 -0.985 1.00 0.00 C ATOM 585 C ARG A 45 11.900 -2.631 -2.319 1.00 0.00 C ATOM 586 O ARG A 45 12.800 -1.793 -2.368 1.00 0.00 O ATOM 587 CB ARG A 45 12.091 -4.138 -0.332 1.00 0.00 C ATOM 588 CG ARG A 45 11.985 -4.163 1.184 1.00 0.00 C ATOM 589 CD ARG A 45 12.729 -5.350 1.775 1.00 0.00 C ATOM 590 NE ARG A 45 12.386 -5.568 3.178 1.00 0.00 N ATOM 591 CZ ARG A 45 12.891 -4.853 4.177 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.756 -3.879 3.929 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.530 -5.111 5.428 1.00 0.00 N ATOM 0 H ARG A 45 9.717 -4.430 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 45 11.270 -2.152 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.762 -5.099 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.138 -4.020 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.390 -3.238 1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.936 -4.208 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.495 -6.247 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.803 -5.186 1.686 1.00 0.00 H new ATOM 0 HE ARG A 45 11.723 -6.310 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.035 -3.677 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.142 -3.332 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.864 -5.859 5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.918 -4.561 6.195 1.00 0.00 H new ATOM 607 N GLN A 46 11.419 -3.242 -3.397 1.00 0.00 N ATOM 608 CA GLN A 46 11.935 -2.957 -4.730 1.00 0.00 C ATOM 609 C GLN A 46 11.461 -1.591 -5.216 1.00 0.00 C ATOM 610 O GLN A 46 12.256 -0.781 -5.694 1.00 0.00 O ATOM 611 CB GLN A 46 11.495 -4.042 -5.714 1.00 0.00 C ATOM 612 CG GLN A 46 12.475 -5.199 -5.823 1.00 0.00 C ATOM 613 CD GLN A 46 11.785 -6.531 -6.040 1.00 0.00 C ATOM 614 OE1 GLN A 46 12.108 -7.524 -5.389 1.00 0.00 O ATOM 615 NE2 GLN A 46 10.826 -6.558 -6.959 1.00 0.00 N ATOM 0 H GLN A 46 10.673 -3.937 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 46 13.024 -2.946 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.523 -4.428 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.363 -3.595 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.162 -5.012 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.075 -5.249 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.591 -5.711 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.325 -7.426 -7.148 1.00 0.00 H new ATOM 624 N ALA A 47 10.162 -1.342 -5.091 1.00 0.00 N ATOM 625 CA ALA A 47 9.583 -0.073 -5.516 1.00 0.00 C ATOM 626 C ALA A 47 10.276 1.102 -4.835 1.00 0.00 C ATOM 627 O ALA A 47 10.644 2.079 -5.485 1.00 0.00 O ATOM 628 CB ALA A 47 8.090 -0.050 -5.223 1.00 0.00 C ATOM 0 H ALA A 47 9.490 -2.002 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 47 9.733 0.025 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.671 0.903 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.601 -0.862 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.927 -0.174 -4.152 1.00 0.00 H new ATOM 634 N ALA A 48 10.449 1.000 -3.521 1.00 0.00 N ATOM 635 CA ALA A 48 11.098 2.055 -2.752 1.00 0.00 C ATOM 636 C ALA A 48 12.515 2.308 -3.256 1.00 0.00 C ATOM 637 O ALA A 48 12.848 3.419 -3.672 1.00 0.00 O ATOM 638 CB ALA A 48 11.119 1.694 -1.274 1.00 0.00 C ATOM 0 H ALA A 48 10.149 0.198 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 48 10.524 2.972 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.606 2.491 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.097 1.570 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.668 0.763 -1.135 1.00 0.00 H new ATOM 644 N CYS A 49 13.346 1.273 -3.217 1.00 0.00 N ATOM 645 CA CYS A 49 14.728 1.383 -3.668 1.00 0.00 C ATOM 646 C CYS A 49 14.803 2.071 -5.028 1.00 0.00 C ATOM 647 O CYS A 49 15.688 2.889 -5.274 1.00 0.00 O ATOM 648 CB CYS A 49 15.372 -0.002 -3.750 1.00 0.00 C ATOM 649 SG CYS A 49 16.198 -0.530 -2.214 1.00 0.00 S ATOM 0 H CYS A 49 13.086 0.347 -2.877 1.00 0.00 H new ATOM 0 HA CYS A 49 15.273 1.988 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.605 -0.733 -4.007 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.100 -0.005 -4.561 1.00 0.00 H new ATOM 654 N ASN A 50 13.865 1.734 -5.908 1.00 0.00 N ATOM 655 CA ASN A 50 13.824 2.319 -7.244 1.00 0.00 C ATOM 656 C ASN A 50 13.647 3.832 -7.169 1.00 0.00 C ATOM 657 O ASN A 50 14.307 4.582 -7.889 1.00 0.00 O ATOM 658 CB ASN A 50 12.688 1.700 -8.060 1.00 0.00 C ATOM 659 CG ASN A 50 12.857 0.204 -8.245 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.977 -0.307 -8.268 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.743 -0.505 -8.380 1.00 0.00 N ATOM 0 H ASN A 50 13.124 1.059 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 50 14.773 2.106 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.738 1.897 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.642 2.181 -9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.794 -1.516 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.836 -0.039 -8.355 1.00 0.00 H new ATOM 668 N CYS A 51 12.751 4.275 -6.294 1.00 0.00 N ATOM 669 CA CYS A 51 12.485 5.698 -6.124 1.00 0.00 C ATOM 670 C CYS A 51 13.613 6.374 -5.350 1.00 0.00 C ATOM 671 O CYS A 51 13.871 7.566 -5.521 1.00 0.00 O ATOM 672 CB CYS A 51 11.156 5.907 -5.395 1.00 0.00 C ATOM 673 SG CYS A 51 9.699 5.903 -6.489 1.00 0.00 S ATOM 0 H CYS A 51 12.196 3.668 -5.691 1.00 0.00 H new ATOM 0 HA CYS A 51 12.424 6.151 -7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.037 5.123 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.193 6.856 -4.860 1.00 0.00 H new ATOM 678 N LEU A 52 14.283 5.604 -4.499 1.00 0.00 N ATOM 679 CA LEU A 52 15.385 6.127 -3.699 1.00 0.00 C ATOM 680 C LEU A 52 16.634 6.319 -4.552 1.00 0.00 C ATOM 681 O LEU A 52 17.145 7.432 -4.684 1.00 0.00 O ATOM 682 CB LEU A 52 15.689 5.182 -2.535 1.00 0.00 C ATOM 683 CG LEU A 52 14.822 5.355 -1.287 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.193 4.324 -0.233 1.00 0.00 C ATOM 685 CD2 LEU A 52 14.963 6.764 -0.730 1.00 0.00 C ATOM 0 H LEU A 52 14.082 4.616 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 52 15.085 7.097 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.582 4.156 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.733 5.313 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 52 13.780 5.200 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.566 4.462 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.039 3.322 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.240 4.447 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.339 6.869 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.004 6.948 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.647 7.486 -1.483 1.00 0.00 H new ATOM 697 N LYS A 53 17.122 5.228 -5.132 1.00 0.00 N ATOM 698 CA LYS A 53 18.310 5.275 -5.977 1.00 0.00 C ATOM 699 C LYS A 53 18.185 6.370 -7.031 1.00 0.00 C ATOM 700 O LYS A 53 19.151 7.072 -7.328 1.00 0.00 O ATOM 701 CB LYS A 53 18.532 3.922 -6.656 1.00 0.00 C ATOM 702 CG LYS A 53 19.997 3.582 -6.870 1.00 0.00 C ATOM 703 CD LYS A 53 20.368 2.268 -6.203 1.00 0.00 C ATOM 704 CE LYS A 53 20.257 2.360 -4.689 1.00 0.00 C ATOM 705 NZ LYS A 53 19.595 1.160 -4.108 1.00 0.00 N ATOM 0 H LYS A 53 16.713 4.299 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 53 19.167 5.501 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.071 3.141 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 53 18.023 3.921 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.205 3.520 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.619 4.383 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.715 1.476 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.387 1.994 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 53 21.252 2.470 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.692 3.253 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.949 1.001 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.566 1.311 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.806 0.328 -4.696 1.00 0.00 H new ATOM 719 N SER A 54 16.988 6.511 -7.592 1.00 0.00 N ATOM 720 CA SER A 54 16.737 7.520 -8.615 1.00 0.00 C ATOM 721 C SER A 54 16.634 8.909 -7.994 1.00 0.00 C ATOM 722 O SER A 54 16.965 9.911 -8.629 1.00 0.00 O ATOM 723 CB SER A 54 15.453 7.193 -9.379 1.00 0.00 C ATOM 724 OG SER A 54 15.129 8.224 -10.296 1.00 0.00 O ATOM 0 H SER A 54 16.177 5.939 -7.355 1.00 0.00 H new ATOM 0 HA SER A 54 17.576 7.514 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.574 6.251 -9.914 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.632 7.057 -8.675 1.00 0.00 H new ATOM 0 HG SER A 54 14.305 7.991 -10.773 1.00 0.00 H new ATOM 730 N ALA A 55 16.173 8.961 -6.749 1.00 0.00 N ATOM 731 CA ALA A 55 16.028 10.227 -6.040 1.00 0.00 C ATOM 732 C ALA A 55 17.388 10.817 -5.686 1.00 0.00 C ATOM 733 O ALA A 55 17.673 11.974 -5.996 1.00 0.00 O ATOM 734 CB ALA A 55 15.190 10.035 -4.784 1.00 0.00 C ATOM 0 H ALA A 55 15.893 8.141 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 55 15.518 10.929 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.090 10.988 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.202 9.666 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.677 9.314 -4.128 1.00 0.00 H new ATOM 740 N ALA A 56 18.224 10.016 -5.034 1.00 0.00 N ATOM 741 CA ALA A 56 19.556 10.459 -4.639 1.00 0.00 C ATOM 742 C ALA A 56 20.381 10.868 -5.855 1.00 0.00 C ATOM 743 O ALA A 56 21.350 11.616 -5.736 1.00 0.00 O ATOM 744 CB ALA A 56 20.267 9.363 -3.860 1.00 0.00 C ATOM 0 H ALA A 56 18.003 9.057 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 56 19.446 11.333 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.260 9.707 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.693 9.121 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.358 8.474 -4.484 1.00 0.00 H new ATOM 750 N GLY A 57 19.991 10.370 -7.024 1.00 0.00 N ATOM 751 CA GLY A 57 20.706 10.694 -8.244 1.00 0.00 C ATOM 752 C GLY A 57 20.655 12.174 -8.571 1.00 0.00 C ATOM 753 O GLY A 57 21.528 12.694 -9.266 1.00 0.00 O ATOM 0 H GLY A 57 19.192 9.748 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.746 10.383 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.281 10.127 -9.072 1.00 0.00 H new ATOM 757 N SER A 58 19.628 12.853 -8.071 1.00 0.00 N ATOM 758 CA SER A 58 19.463 14.281 -8.319 1.00 0.00 C ATOM 759 C SER A 58 20.058 15.102 -7.179 1.00 0.00 C ATOM 760 O SER A 58 19.702 16.265 -6.986 1.00 0.00 O ATOM 761 CB SER A 58 17.981 14.622 -8.489 1.00 0.00 C ATOM 762 OG SER A 58 17.294 13.587 -9.170 1.00 0.00 O ATOM 0 H SER A 58 18.898 12.438 -7.492 1.00 0.00 H new ATOM 0 HA SER A 58 19.994 14.530 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.527 14.782 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.881 15.555 -9.043 1.00 0.00 H new ATOM 0 HG SER A 58 16.349 13.829 -9.264 1.00 0.00 H new ATOM 768 N ILE A 59 20.966 14.489 -6.428 1.00 0.00 N ATOM 769 CA ILE A 59 21.612 15.162 -5.308 1.00 0.00 C ATOM 770 C ILE A 59 22.962 15.741 -5.719 1.00 0.00 C ATOM 771 O ILE A 59 23.890 15.005 -6.056 1.00 0.00 O ATOM 772 CB ILE A 59 21.817 14.206 -4.118 1.00 0.00 C ATOM 773 CG1 ILE A 59 20.470 13.672 -3.627 1.00 0.00 C ATOM 774 CG2 ILE A 59 22.556 14.914 -2.992 1.00 0.00 C ATOM 775 CD1 ILE A 59 19.576 14.740 -3.037 1.00 0.00 C ATOM 0 H ILE A 59 21.271 13.527 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 59 20.950 15.972 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 59 22.422 13.362 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.952 13.195 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.645 12.901 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 59 22.694 14.226 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.529 15.249 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 59 21.975 15.775 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 59 18.639 14.290 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.074 15.201 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 59 19.370 15.500 -3.791 1.00 0.00 H new ATOM 787 N THR A 60 23.066 17.066 -5.688 1.00 0.00 N ATOM 788 CA THR A 60 24.302 17.745 -6.057 1.00 0.00 C ATOM 789 C THR A 60 25.479 17.225 -5.240 1.00 0.00 C ATOM 790 O THR A 60 25.530 17.402 -4.023 1.00 0.00 O ATOM 791 CB THR A 60 24.187 19.268 -5.859 1.00 0.00 C ATOM 792 OG1 THR A 60 25.476 19.877 -5.987 1.00 0.00 O ATOM 793 CG2 THR A 60 23.599 19.594 -4.494 1.00 0.00 C ATOM 0 H THR A 60 22.309 17.690 -5.411 1.00 0.00 H new ATOM 0 HA THR A 60 24.475 17.536 -7.113 1.00 0.00 H new ATOM 0 HB THR A 60 23.521 19.663 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 60 25.394 20.845 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 60 23.528 20.675 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 60 22.605 19.154 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 60 24.242 19.187 -3.714 1.00 0.00 H new ATOM 801 N LYS A 61 26.425 16.584 -5.917 1.00 0.00 N ATOM 802 CA LYS A 61 27.605 16.039 -5.255 1.00 0.00 C ATOM 803 C LYS A 61 27.209 15.036 -4.176 1.00 0.00 C ATOM 804 O LYS A 61 27.667 15.122 -3.036 1.00 0.00 O ATOM 805 CB LYS A 61 28.435 17.167 -4.637 1.00 0.00 C ATOM 806 CG LYS A 61 29.336 17.875 -5.635 1.00 0.00 C ATOM 807 CD LYS A 61 30.463 18.618 -4.938 1.00 0.00 C ATOM 808 CE LYS A 61 31.276 19.447 -5.921 1.00 0.00 C ATOM 809 NZ LYS A 61 32.730 19.139 -5.836 1.00 0.00 N ATOM 0 H LYS A 61 26.398 16.429 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 61 28.205 15.523 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.763 17.897 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.047 16.758 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 61 29.754 17.147 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.746 18.577 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.049 19.268 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.116 17.904 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.923 19.257 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 61 31.117 20.507 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.249 19.724 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.073 19.344 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.885 18.134 -6.052 1.00 0.00 H new ATOM 823 N LEU A 62 26.357 14.086 -4.542 1.00 0.00 N ATOM 824 CA LEU A 62 25.900 13.065 -3.606 1.00 0.00 C ATOM 825 C LEU A 62 27.080 12.413 -2.893 1.00 0.00 C ATOM 826 O LEU A 62 28.115 12.144 -3.502 1.00 0.00 O ATOM 827 CB LEU A 62 25.082 12.001 -4.340 1.00 0.00 C ATOM 828 CG LEU A 62 24.663 10.786 -3.511 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.306 11.021 -2.867 1.00 0.00 C ATOM 830 CD2 LEU A 62 24.635 9.534 -4.375 1.00 0.00 C ATOM 0 H LEU A 62 25.968 14.001 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 62 25.270 13.548 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.183 12.472 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 62 25.662 11.651 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 62 25.398 10.641 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.025 10.146 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 62 23.359 11.893 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.560 11.193 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.335 8.680 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.923 9.669 -5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 62 25.628 9.355 -4.788 1.00 0.00 H new ATOM 842 N ASN A 63 26.917 12.160 -1.598 1.00 0.00 N ATOM 843 CA ASN A 63 27.969 11.537 -0.802 1.00 0.00 C ATOM 844 C ASN A 63 27.543 10.152 -0.326 1.00 0.00 C ATOM 845 O ASN A 63 26.727 10.020 0.587 1.00 0.00 O ATOM 846 CB ASN A 63 28.316 12.418 0.400 1.00 0.00 C ATOM 847 CG ASN A 63 29.764 12.272 0.824 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.266 11.160 0.988 1.00 0.00 O ATOM 849 ND2 ASN A 63 30.444 13.399 1.003 1.00 0.00 N ATOM 0 H ASN A 63 26.067 12.377 -1.078 1.00 0.00 H new ATOM 0 HA ASN A 63 28.852 11.429 -1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.116 13.461 0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.667 12.159 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.423 13.364 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 63 29.987 14.299 0.856 1.00 0.00 H new ATOM 856 N THR A 64 28.101 9.120 -0.951 1.00 0.00 N ATOM 857 CA THR A 64 27.779 7.744 -0.592 1.00 0.00 C ATOM 858 C THR A 64 27.957 7.510 0.904 1.00 0.00 C ATOM 859 O THR A 64 27.228 6.727 1.510 1.00 0.00 O ATOM 860 CB THR A 64 28.657 6.742 -1.365 1.00 0.00 C ATOM 861 OG1 THR A 64 30.034 7.121 -1.269 1.00 0.00 O ATOM 862 CG2 THR A 64 28.244 6.677 -2.828 1.00 0.00 C ATOM 0 H THR A 64 28.778 9.211 -1.708 1.00 0.00 H new ATOM 0 HA THR A 64 26.735 7.583 -0.860 1.00 0.00 H new ATOM 0 HB THR A 64 28.521 5.756 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 64 30.585 6.478 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 64 28.878 5.963 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.204 6.359 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.354 7.662 -3.281 1.00 0.00 H new ATOM 870 N ASN A 65 28.931 8.195 1.493 1.00 0.00 N ATOM 871 CA ASN A 65 29.205 8.062 2.920 1.00 0.00 C ATOM 872 C ASN A 65 28.073 8.661 3.749 1.00 0.00 C ATOM 873 O ASN A 65 27.722 8.140 4.806 1.00 0.00 O ATOM 874 CB ASN A 65 30.528 8.745 3.273 1.00 0.00 C ATOM 875 CG ASN A 65 31.714 7.807 3.148 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.203 7.551 2.048 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.181 7.291 4.279 1.00 0.00 N ATOM 0 H ASN A 65 29.544 8.848 1.005 1.00 0.00 H new ATOM 0 HA ASN A 65 29.279 7.000 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 65 30.677 9.604 2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 65 30.476 9.127 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 65 32.977 6.654 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 65 31.743 7.532 5.168 1.00 0.00 H new ATOM 884 N ASN A 66 27.507 9.760 3.261 1.00 0.00 N ATOM 885 CA ASN A 66 26.415 10.431 3.957 1.00 0.00 C ATOM 886 C ASN A 66 25.124 9.624 3.848 1.00 0.00 C ATOM 887 O ASN A 66 24.400 9.456 4.829 1.00 0.00 O ATOM 888 CB ASN A 66 26.203 11.834 3.384 1.00 0.00 C ATOM 889 CG ASN A 66 27.387 12.746 3.638 1.00 0.00 C ATOM 890 OD1 ASN A 66 28.512 12.284 3.826 1.00 0.00 O ATOM 891 ND2 ASN A 66 27.137 14.051 3.645 1.00 0.00 N ATOM 0 H ASN A 66 27.786 10.205 2.387 1.00 0.00 H new ATOM 0 HA ASN A 66 26.684 10.513 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.026 11.762 2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 66 25.308 12.273 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.894 14.714 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.188 14.389 3.484 1.00 0.00 H new ATOM 898 N ALA A 67 24.842 9.128 2.648 1.00 0.00 N ATOM 899 CA ALA A 67 23.641 8.337 2.411 1.00 0.00 C ATOM 900 C ALA A 67 23.583 7.134 3.345 1.00 0.00 C ATOM 901 O ALA A 67 22.528 6.809 3.890 1.00 0.00 O ATOM 902 CB ALA A 67 23.585 7.884 0.959 1.00 0.00 C ATOM 0 H ALA A 67 25.429 9.260 1.825 1.00 0.00 H new ATOM 0 HA ALA A 67 22.775 8.966 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.683 7.294 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.571 8.757 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 67 24.461 7.276 0.733 1.00 0.00 H new ATOM 908 N ALA A 68 24.723 6.475 3.526 1.00 0.00 N ATOM 909 CA ALA A 68 24.801 5.308 4.396 1.00 0.00 C ATOM 910 C ALA A 68 24.775 5.716 5.865 1.00 0.00 C ATOM 911 O ALA A 68 24.328 4.955 6.723 1.00 0.00 O ATOM 912 CB ALA A 68 26.057 4.506 4.091 1.00 0.00 C ATOM 0 H ALA A 68 25.605 6.730 3.082 1.00 0.00 H new ATOM 0 HA ALA A 68 23.929 4.683 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.103 3.637 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.034 4.175 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 68 26.936 5.130 4.253 1.00 0.00 H new ATOM 918 N ALA A 69 25.259 6.921 6.149 1.00 0.00 N ATOM 919 CA ALA A 69 25.290 7.430 7.514 1.00 0.00 C ATOM 920 C ALA A 69 23.889 7.788 7.999 1.00 0.00 C ATOM 921 O ALA A 69 23.629 7.834 9.202 1.00 0.00 O ATOM 922 CB ALA A 69 26.207 8.640 7.606 1.00 0.00 C ATOM 0 H ALA A 69 25.635 7.563 5.451 1.00 0.00 H new ATOM 0 HA ALA A 69 25.680 6.643 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.220 9.009 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.217 8.355 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 69 25.842 9.424 6.943 1.00 0.00 H new ATOM 928 N LEU A 70 22.988 8.041 7.055 1.00 0.00 N ATOM 929 CA LEU A 70 21.613 8.396 7.386 1.00 0.00 C ATOM 930 C LEU A 70 20.936 7.279 8.173 1.00 0.00 C ATOM 931 O LEU A 70 20.475 7.470 9.298 1.00 0.00 O ATOM 932 CB LEU A 70 20.820 8.689 6.111 1.00 0.00 C ATOM 933 CG LEU A 70 19.321 8.392 6.169 1.00 0.00 C ATOM 934 CD1 LEU A 70 18.672 9.150 7.316 1.00 0.00 C ATOM 935 CD2 LEU A 70 18.655 8.748 4.848 1.00 0.00 C ATOM 0 H LEU A 70 23.186 8.007 6.055 1.00 0.00 H new ATOM 0 HA LEU A 70 21.635 9.291 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 70 20.952 9.741 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.254 8.109 5.296 1.00 0.00 H new ATOM 0 HG LEU A 70 19.188 7.324 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.605 8.927 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.130 8.847 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.815 10.221 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.589 8.530 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.798 9.809 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.101 8.160 4.046 1.00 0.00 H new ATOM 947 N PRO A 71 20.877 6.082 7.571 1.00 0.00 N ATOM 948 CA PRO A 71 20.261 4.909 8.199 1.00 0.00 C ATOM 949 C PRO A 71 21.078 4.385 9.375 1.00 0.00 C ATOM 950 O PRO A 71 20.526 3.869 10.346 1.00 0.00 O ATOM 951 CB PRO A 71 20.229 3.877 7.068 1.00 0.00 C ATOM 952 CG PRO A 71 21.335 4.281 6.155 1.00 0.00 C ATOM 953 CD PRO A 71 21.406 5.781 6.230 1.00 0.00 C ATOM 0 HA PRO A 71 19.279 5.137 8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.379 2.867 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.268 3.884 6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.279 3.830 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.140 3.950 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.428 6.141 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.809 6.251 5.448 1.00 0.00 H new ATOM 961 N GLY A 72 22.397 4.523 9.281 1.00 0.00 N ATOM 962 CA GLY A 72 23.269 4.059 10.345 1.00 0.00 C ATOM 963 C GLY A 72 23.197 4.938 11.578 1.00 0.00 C ATOM 964 O GLY A 72 23.218 4.443 12.705 1.00 0.00 O ATOM 0 H GLY A 72 22.877 4.948 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.998 3.038 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.296 4.031 9.982 1.00 0.00 H new ATOM 968 N LYS A 73 23.114 6.247 11.365 1.00 0.00 N ATOM 969 CA LYS A 73 23.040 7.199 12.467 1.00 0.00 C ATOM 970 C LYS A 73 21.646 7.207 13.086 1.00 0.00 C ATOM 971 O LYS A 73 21.482 7.504 14.270 1.00 0.00 O ATOM 972 CB LYS A 73 23.402 8.604 11.981 1.00 0.00 C ATOM 973 CG LYS A 73 24.874 8.771 11.644 1.00 0.00 C ATOM 974 CD LYS A 73 25.550 9.761 12.577 1.00 0.00 C ATOM 975 CE LYS A 73 26.733 10.442 11.905 1.00 0.00 C ATOM 976 NZ LYS A 73 27.408 11.407 12.815 1.00 0.00 N ATOM 0 H LYS A 73 23.096 6.673 10.438 1.00 0.00 H new ATOM 0 HA LYS A 73 23.755 6.890 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.807 8.838 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.130 9.327 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.375 7.806 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.976 9.112 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.829 10.513 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.888 9.244 13.475 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.449 9.688 11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.392 10.964 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.208 11.850 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.732 12.142 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.757 10.905 13.657 1.00 0.00 H new ATOM 990 N CYS A 74 20.643 6.878 12.278 1.00 0.00 N ATOM 991 CA CYS A 74 19.263 6.847 12.746 1.00 0.00 C ATOM 992 C CYS A 74 18.948 5.516 13.424 1.00 0.00 C ATOM 993 O CYS A 74 17.813 5.265 13.826 1.00 0.00 O ATOM 994 CB CYS A 74 18.301 7.076 11.578 1.00 0.00 C ATOM 995 SG CYS A 74 18.274 8.791 10.963 1.00 0.00 S ATOM 0 H CYS A 74 20.761 6.629 11.296 1.00 0.00 H new ATOM 0 HA CYS A 74 19.135 7.646 13.476 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.576 6.412 10.759 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.295 6.797 11.890 1.00 0.00 H new ATOM 1000 N GLY A 75 19.964 4.666 13.547 1.00 0.00 N ATOM 1001 CA GLY A 75 19.776 3.372 14.176 1.00 0.00 C ATOM 1002 C GLY A 75 18.957 2.425 13.322 1.00 0.00 C ATOM 1003 O GLY A 75 18.575 1.345 13.771 1.00 0.00 O ATOM 0 H GLY A 75 20.913 4.851 13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.749 2.925 14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.282 3.508 15.138 1.00 0.00 H new ATOM 1007 N VAL A 76 18.684 2.831 12.085 1.00 0.00 N ATOM 1008 CA VAL A 76 17.905 2.011 11.166 1.00 0.00 C ATOM 1009 C VAL A 76 18.720 1.643 9.932 1.00 0.00 C ATOM 1010 O VAL A 76 18.652 2.318 8.906 1.00 0.00 O ATOM 1011 CB VAL A 76 16.619 2.735 10.721 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.940 4.134 10.218 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.897 1.928 9.653 1.00 0.00 C ATOM 0 H VAL A 76 18.991 3.723 11.697 1.00 0.00 H new ATOM 0 HA VAL A 76 17.635 1.102 11.704 1.00 0.00 H new ATOM 0 HB VAL A 76 15.958 2.828 11.583 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.020 4.629 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.411 4.708 11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.620 4.068 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.991 2.453 9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.550 1.802 8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.632 0.949 10.053 1.00 0.00 H new ATOM 1023 N ASN A 77 19.491 0.566 10.039 1.00 0.00 N ATOM 1024 CA ASN A 77 20.321 0.106 8.931 1.00 0.00 C ATOM 1025 C ASN A 77 19.547 -0.855 8.034 1.00 0.00 C ATOM 1026 O ASN A 77 18.672 -1.586 8.499 1.00 0.00 O ATOM 1027 CB ASN A 77 21.583 -0.577 9.460 1.00 0.00 C ATOM 1028 CG ASN A 77 22.718 0.403 9.690 1.00 0.00 C ATOM 1029 OD1 ASN A 77 23.205 0.554 10.810 1.00 0.00 O ATOM 1030 ND2 ASN A 77 23.144 1.074 8.626 1.00 0.00 N ATOM 0 H ASN A 77 19.559 -0.005 10.882 1.00 0.00 H new ATOM 0 HA ASN A 77 20.608 0.976 8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.352 -1.087 10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.904 -1.341 8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 77 23.905 1.747 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.710 0.916 7.716 1.00 0.00 H new ATOM 1037 N ILE A 78 19.877 -0.849 6.747 1.00 0.00 N ATOM 1038 CA ILE A 78 19.214 -1.722 5.785 1.00 0.00 C ATOM 1039 C ILE A 78 20.187 -2.747 5.211 1.00 0.00 C ATOM 1040 O ILE A 78 21.403 -2.555 5.215 1.00 0.00 O ATOM 1041 CB ILE A 78 18.593 -0.917 4.629 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.566 0.162 4.149 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.275 -0.294 5.065 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.420 1.477 4.883 1.00 0.00 C ATOM 0 H ILE A 78 20.599 -0.250 6.346 1.00 0.00 H new ATOM 0 HA ILE A 78 18.420 -2.240 6.324 1.00 0.00 H new ATOM 0 HB ILE A 78 18.395 -1.595 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.587 -0.201 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.412 0.331 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.848 0.272 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.582 -1.081 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.450 0.374 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.141 2.195 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.410 1.863 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.604 1.323 5.946 1.00 0.00 H new ATOM 1056 N PRO A 79 19.641 -3.862 4.704 1.00 0.00 N ATOM 1057 CA PRO A 79 20.442 -4.938 4.114 1.00 0.00 C ATOM 1058 C PRO A 79 21.077 -4.529 2.790 1.00 0.00 C ATOM 1059 O PRO A 79 21.900 -5.257 2.234 1.00 0.00 O ATOM 1060 CB PRO A 79 19.424 -6.060 3.896 1.00 0.00 C ATOM 1061 CG PRO A 79 18.113 -5.362 3.771 1.00 0.00 C ATOM 1062 CD PRO A 79 18.199 -4.157 4.667 1.00 0.00 C ATOM 0 HA PRO A 79 21.278 -5.221 4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 79 19.654 -6.635 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.422 -6.760 4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.924 -5.068 2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.293 -6.014 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.627 -3.319 4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 79 17.806 -4.367 5.662 1.00 0.00 H new ATOM 1070 N TYR A 80 20.689 -3.362 2.289 1.00 0.00 N ATOM 1071 CA TYR A 80 21.220 -2.857 1.028 1.00 0.00 C ATOM 1072 C TYR A 80 21.825 -1.468 1.208 1.00 0.00 C ATOM 1073 O TYR A 80 21.351 -0.671 2.018 1.00 0.00 O ATOM 1074 CB TYR A 80 20.117 -2.811 -0.031 1.00 0.00 C ATOM 1075 CG TYR A 80 18.866 -2.096 0.427 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.843 -0.713 0.563 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.707 -2.802 0.724 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.703 -0.056 0.982 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.562 -2.153 1.142 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.565 -0.780 1.271 1.00 0.00 C ATOM 1081 OH TYR A 80 15.427 -0.128 1.687 1.00 0.00 O ATOM 0 H TYR A 80 20.009 -2.748 2.736 1.00 0.00 H new ATOM 0 HA TYR A 80 22.006 -3.535 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.502 -2.316 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.858 -3.830 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.732 -0.143 0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 80 17.701 -3.878 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.702 1.019 1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.669 -2.718 1.367 1.00 0.00 H new ATOM 0 HH TYR A 80 14.715 -0.782 1.848 1.00 0.00 H new ATOM 1091 N LYS A 81 22.876 -1.185 0.447 1.00 0.00 N ATOM 1092 CA LYS A 81 23.548 0.107 0.519 1.00 0.00 C ATOM 1093 C LYS A 81 22.866 1.126 -0.390 1.00 0.00 C ATOM 1094 O LYS A 81 21.961 0.784 -1.151 1.00 0.00 O ATOM 1095 CB LYS A 81 25.020 -0.037 0.126 1.00 0.00 C ATOM 1096 CG LYS A 81 25.934 0.962 0.815 1.00 0.00 C ATOM 1097 CD LYS A 81 27.196 0.296 1.337 1.00 0.00 C ATOM 1098 CE LYS A 81 27.929 1.189 2.326 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.459 0.416 3.483 1.00 0.00 N ATOM 0 H LYS A 81 23.282 -1.834 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 81 23.486 0.463 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.354 -1.047 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.113 0.083 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 81 26.202 1.754 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.402 1.433 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.938 -0.647 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.855 0.058 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.751 1.694 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.253 1.964 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.952 1.060 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 27.672 -0.046 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.124 -0.307 3.142 1.00 0.00 H new ATOM 1113 N ILE A 82 23.308 2.376 -0.306 1.00 0.00 N ATOM 1114 CA ILE A 82 22.742 3.442 -1.122 1.00 0.00 C ATOM 1115 C ILE A 82 23.795 4.045 -2.047 1.00 0.00 C ATOM 1116 O ILE A 82 24.826 4.539 -1.591 1.00 0.00 O ATOM 1117 CB ILE A 82 22.141 4.560 -0.251 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.054 3.994 0.665 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.578 5.670 -1.126 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.588 3.448 1.971 1.00 0.00 C ATOM 0 H ILE A 82 24.056 2.675 0.319 1.00 0.00 H new ATOM 0 HA ILE A 82 21.949 2.993 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 82 22.932 4.980 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.326 4.777 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.524 3.200 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.157 6.453 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.375 6.089 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.798 5.265 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.762 3.064 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 82 22.294 2.643 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.093 4.244 2.518 1.00 0.00 H new ATOM 1132 N SER A 83 23.527 4.001 -3.348 1.00 0.00 N ATOM 1133 CA SER A 83 24.452 4.541 -4.337 1.00 0.00 C ATOM 1134 C SER A 83 23.895 4.376 -5.748 1.00 0.00 C ATOM 1135 O SER A 83 23.058 3.509 -6.001 1.00 0.00 O ATOM 1136 CB SER A 83 25.811 3.847 -4.228 1.00 0.00 C ATOM 1137 OG SER A 83 26.467 3.810 -5.484 1.00 0.00 O ATOM 0 H SER A 83 22.677 3.597 -3.742 1.00 0.00 H new ATOM 0 HA SER A 83 24.579 5.605 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.434 4.372 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.676 2.832 -3.855 1.00 0.00 H new ATOM 0 HG SER A 83 26.779 2.898 -5.663 1.00 0.00 H new ATOM 1143 N THR A 84 24.367 5.215 -6.666 1.00 0.00 N ATOM 1144 CA THR A 84 23.917 5.164 -8.051 1.00 0.00 C ATOM 1145 C THR A 84 24.365 3.874 -8.728 1.00 0.00 C ATOM 1146 O THR A 84 23.884 3.526 -9.807 1.00 0.00 O ATOM 1147 CB THR A 84 24.447 6.364 -8.858 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.774 6.693 -8.433 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.540 7.574 -8.687 1.00 0.00 C ATOM 0 H THR A 84 25.061 5.938 -6.474 1.00 0.00 H new ATOM 0 HA THR A 84 22.828 5.201 -8.031 1.00 0.00 H new ATOM 0 HB THR A 84 24.462 6.086 -9.912 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.104 7.456 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.934 8.409 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.538 7.330 -9.039 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.498 7.851 -7.634 1.00 0.00 H new ATOM 1157 N THR A 85 25.289 3.164 -8.087 1.00 0.00 N ATOM 1158 CA THR A 85 25.802 1.912 -8.627 1.00 0.00 C ATOM 1159 C THR A 85 25.309 0.720 -7.815 1.00 0.00 C ATOM 1160 O THR A 85 25.926 -0.346 -7.820 1.00 0.00 O ATOM 1161 CB THR A 85 27.342 1.900 -8.652 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.853 1.798 -7.318 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.882 3.160 -9.312 1.00 0.00 C ATOM 0 H THR A 85 25.697 3.436 -7.193 1.00 0.00 H new ATOM 0 HA THR A 85 25.429 1.832 -9.648 1.00 0.00 H new ATOM 0 HB THR A 85 27.667 1.037 -9.232 1.00 0.00 H new ATOM 0 HG1 THR A 85 28.833 1.789 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.972 3.129 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 85 27.515 3.220 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A 85 27.547 4.035 -8.755 1.00 0.00 H new ATOM 1171 N THR A 86 24.193 0.906 -7.117 1.00 0.00 N ATOM 1172 CA THR A 86 23.617 -0.154 -6.299 1.00 0.00 C ATOM 1173 C THR A 86 22.364 -0.730 -6.948 1.00 0.00 C ATOM 1174 O THR A 86 21.573 -0.002 -7.547 1.00 0.00 O ATOM 1175 CB THR A 86 23.264 0.353 -4.888 1.00 0.00 C ATOM 1176 OG1 THR A 86 24.460 0.687 -4.175 1.00 0.00 O ATOM 1177 CG2 THR A 86 22.483 -0.698 -4.115 1.00 0.00 C ATOM 0 H THR A 86 23.670 1.781 -7.102 1.00 0.00 H new ATOM 0 HA THR A 86 24.373 -0.935 -6.217 1.00 0.00 H new ATOM 0 HB THR A 86 22.642 1.242 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 86 24.228 1.010 -3.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.245 -0.317 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.559 -0.929 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 86 23.084 -1.603 -4.022 1.00 0.00 H new ATOM 1185 N ASN A 87 22.188 -2.042 -6.825 1.00 0.00 N ATOM 1186 CA ASN A 87 21.029 -2.715 -7.400 1.00 0.00 C ATOM 1187 C ASN A 87 20.248 -3.465 -6.326 1.00 0.00 C ATOM 1188 O ASN A 87 20.667 -4.527 -5.864 1.00 0.00 O ATOM 1189 CB ASN A 87 21.470 -3.686 -8.497 1.00 0.00 C ATOM 1190 CG ASN A 87 20.309 -4.159 -9.351 1.00 0.00 C ATOM 1191 OD1 ASN A 87 19.151 -3.849 -9.071 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.616 -4.913 -10.400 1.00 0.00 N ATOM 0 H ASN A 87 22.833 -2.660 -6.332 1.00 0.00 H new ATOM 0 HA ASN A 87 20.378 -1.957 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.211 -3.200 -9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.957 -4.548 -8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.878 -5.260 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.590 -5.145 -10.594 1.00 0.00 H new ATOM 1199 N CYS A 88 19.108 -2.906 -5.932 1.00 0.00 N ATOM 1200 CA CYS A 88 18.266 -3.521 -4.913 1.00 0.00 C ATOM 1201 C CYS A 88 17.517 -4.724 -5.479 1.00 0.00 C ATOM 1202 O CYS A 88 17.131 -5.630 -4.742 1.00 0.00 O ATOM 1203 CB CYS A 88 17.270 -2.499 -4.360 1.00 0.00 C ATOM 1204 SG CYS A 88 17.884 -1.567 -2.921 1.00 0.00 S ATOM 0 H CYS A 88 18.746 -2.028 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 88 18.910 -3.865 -4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 88 17.010 -1.796 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 88 16.352 -3.016 -4.080 1.00 0.00 H new