USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 651 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 87 ASN : amide:sc= -1.28 K(o=-2.6,f=-3.6) USER MOD Set 1.2: A 90 THR OG1 : rot 150:sc= -1.33 USER MOD Set 2.1: A 83 SER OG : rot 141:sc= 0.715 USER MOD Set 2.2: A 85 THR OG1 : rot 61:sc= 0.334 USER MOD Set 2.3: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.085 (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 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0511 USER MOD Single : A 19 THR OG1 : rot -85:sc= 1.01 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0675 USER MOD Single : A 27 GLN : amide:sc= -0.0255 K(o=-0.025,f=-1) 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= 0 X(o=0,f=-0.075) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 46 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.62) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.0646 (180deg=-0.325) USER MOD Single : A 54 SER OG : rot 83:sc= 0.436 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= -0.663 K(o=-0.66,f=-3.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.042 K(o=-0.042,f=-0.89) USER MOD Single : A 66 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.5!) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0779 (180deg=-0.351) USER MOD Single : A 77 ASN : amide:sc= -0.0587 X(o=-0.059,f=-0.028) 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 -11:sc= 1.02 USER MOD Single : A 89 ASN : amide:sc= -0.0917 K(o=-0.092,f=-0.83) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.788 0.225 -0.218 1.00 0.00 N ATOM 2 CA ALA A 1 2.170 0.035 -0.643 1.00 0.00 C ATOM 3 C ALA A 1 2.867 1.374 -0.858 1.00 0.00 C ATOM 4 O ALA A 1 2.215 2.411 -0.981 1.00 0.00 O ATOM 5 CB ALA A 1 2.221 -0.800 -1.914 1.00 0.00 C ATOM 0 H1 ALA A 1 0.712 0.052 0.805 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.491 1.200 -0.427 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.173 -0.441 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 1 2.698 -0.496 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.259 -0.934 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.769 -1.774 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.672 -0.291 -2.706 1.00 0.00 H new ATOM 11 N ILE A 2 4.195 1.344 -0.903 1.00 0.00 N ATOM 12 CA ILE A 2 4.980 2.556 -1.104 1.00 0.00 C ATOM 13 C ILE A 2 4.915 3.018 -2.556 1.00 0.00 C ATOM 14 O ILE A 2 5.319 2.295 -3.466 1.00 0.00 O ATOM 15 CB ILE A 2 6.453 2.344 -0.709 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.561 1.992 0.776 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.270 3.588 -1.025 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.401 0.514 1.059 1.00 0.00 C ATOM 0 H ILE A 2 4.750 0.494 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 2 4.547 3.323 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 2 6.853 1.513 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.530 2.323 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.801 2.544 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.309 3.423 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.215 3.797 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.872 4.436 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.489 0.337 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.421 0.182 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.177 -0.043 0.535 1.00 0.00 H new ATOM 30 N SER A 3 4.405 4.227 -2.764 1.00 0.00 N ATOM 31 CA SER A 3 4.285 4.786 -4.105 1.00 0.00 C ATOM 32 C SER A 3 5.485 5.669 -4.435 1.00 0.00 C ATOM 33 O SER A 3 6.372 5.274 -5.193 1.00 0.00 O ATOM 34 CB SER A 3 2.993 5.595 -4.231 1.00 0.00 C ATOM 35 OG SER A 3 3.024 6.433 -5.373 1.00 0.00 O ATOM 0 H SER A 3 4.068 4.839 -2.021 1.00 0.00 H new ATOM 0 HA SER A 3 4.258 3.959 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.141 4.918 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.851 6.200 -3.336 1.00 0.00 H new ATOM 0 HG SER A 3 2.186 6.938 -5.431 1.00 0.00 H new ATOM 41 N CYS A 4 5.506 6.867 -3.860 1.00 0.00 N ATOM 42 CA CYS A 4 6.595 7.807 -4.092 1.00 0.00 C ATOM 43 C CYS A 4 6.420 9.062 -3.241 1.00 0.00 C ATOM 44 O CYS A 4 7.383 9.584 -2.681 1.00 0.00 O ATOM 45 CB CYS A 4 6.663 8.187 -5.572 1.00 0.00 C ATOM 46 SG CYS A 4 8.346 8.161 -6.270 1.00 0.00 S ATOM 0 H CYS A 4 4.781 7.209 -3.230 1.00 0.00 H new ATOM 0 HA CYS A 4 7.528 7.321 -3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.035 7.502 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.244 9.185 -5.700 1.00 0.00 H new ATOM 51 N GLY A 5 5.183 9.541 -3.151 1.00 0.00 N ATOM 52 CA GLY A 5 4.903 10.730 -2.367 1.00 0.00 C ATOM 53 C GLY A 5 5.386 10.608 -0.936 1.00 0.00 C ATOM 54 O GLY A 5 5.704 11.609 -0.293 1.00 0.00 O ATOM 0 H GLY A 5 4.370 9.127 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.379 11.591 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.829 10.919 -2.370 1.00 0.00 H new ATOM 58 N ALA A 6 5.439 9.379 -0.433 1.00 0.00 N ATOM 59 CA ALA A 6 5.886 9.130 0.931 1.00 0.00 C ATOM 60 C ALA A 6 7.408 9.119 1.017 1.00 0.00 C ATOM 61 O ALA A 6 7.985 9.489 2.039 1.00 0.00 O ATOM 62 CB ALA A 6 5.317 7.814 1.441 1.00 0.00 C ATOM 0 H ALA A 6 5.178 8.540 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 6 5.519 9.940 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.659 7.641 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.228 7.858 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.656 6.999 0.801 1.00 0.00 H new ATOM 68 N VAL A 7 8.054 8.692 -0.064 1.00 0.00 N ATOM 69 CA VAL A 7 9.510 8.633 -0.111 1.00 0.00 C ATOM 70 C VAL A 7 10.112 10.025 -0.265 1.00 0.00 C ATOM 71 O VAL A 7 11.086 10.371 0.404 1.00 0.00 O ATOM 72 CB VAL A 7 9.999 7.743 -1.269 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.502 7.526 -1.179 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.259 6.414 -1.268 1.00 0.00 C ATOM 0 H VAL A 7 7.592 8.382 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 7 9.840 8.200 0.834 1.00 0.00 H new ATOM 0 HB VAL A 7 9.786 8.251 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.829 6.895 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.012 8.488 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.743 7.040 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.617 5.798 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.439 5.898 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.190 6.593 -1.386 1.00 0.00 H new ATOM 84 N THR A 8 9.524 10.823 -1.151 1.00 0.00 N ATOM 85 CA THR A 8 10.001 12.178 -1.395 1.00 0.00 C ATOM 86 C THR A 8 9.766 13.071 -0.182 1.00 0.00 C ATOM 87 O THR A 8 10.430 14.093 -0.013 1.00 0.00 O ATOM 88 CB THR A 8 9.311 12.805 -2.621 1.00 0.00 C ATOM 89 OG1 THR A 8 9.281 11.865 -3.700 1.00 0.00 O ATOM 90 CG2 THR A 8 10.035 14.069 -3.062 1.00 0.00 C ATOM 0 H THR A 8 8.716 10.553 -1.712 1.00 0.00 H new ATOM 0 HA THR A 8 11.071 12.106 -1.587 1.00 0.00 H new ATOM 0 HB THR A 8 8.291 13.069 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.839 12.271 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.530 14.494 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.030 14.794 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.064 13.826 -3.325 1.00 0.00 H new ATOM 98 N SER A 9 8.817 12.677 0.662 1.00 0.00 N ATOM 99 CA SER A 9 8.491 13.443 1.859 1.00 0.00 C ATOM 100 C SER A 9 9.662 13.444 2.838 1.00 0.00 C ATOM 101 O SER A 9 10.116 14.500 3.278 1.00 0.00 O ATOM 102 CB SER A 9 7.246 12.868 2.536 1.00 0.00 C ATOM 103 OG SER A 9 6.520 13.880 3.212 1.00 0.00 O ATOM 0 H SER A 9 8.260 11.831 0.538 1.00 0.00 H new ATOM 0 HA SER A 9 8.289 14.471 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.608 12.395 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.538 12.092 3.243 1.00 0.00 H new ATOM 0 HG SER A 9 5.728 13.487 3.635 1.00 0.00 H new ATOM 109 N ASP A 10 10.145 12.253 3.173 1.00 0.00 N ATOM 110 CA ASP A 10 11.263 12.115 4.099 1.00 0.00 C ATOM 111 C ASP A 10 12.578 12.487 3.423 1.00 0.00 C ATOM 112 O ASP A 10 13.558 12.824 4.089 1.00 0.00 O ATOM 113 CB ASP A 10 11.337 10.683 4.633 1.00 0.00 C ATOM 114 CG ASP A 10 9.965 10.082 4.870 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.076 10.809 5.361 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.781 8.885 4.566 1.00 0.00 O ATOM 0 H ASP A 10 9.780 11.369 2.817 1.00 0.00 H new ATOM 0 HA ASP A 10 11.098 12.798 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.885 10.062 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.900 10.675 5.566 1.00 0.00 H new ATOM 121 N LEU A 11 12.594 12.424 2.096 1.00 0.00 N ATOM 122 CA LEU A 11 13.789 12.754 1.328 1.00 0.00 C ATOM 123 C LEU A 11 14.083 14.249 1.393 1.00 0.00 C ATOM 124 O LEU A 11 15.242 14.664 1.400 1.00 0.00 O ATOM 125 CB LEU A 11 13.620 12.319 -0.129 1.00 0.00 C ATOM 126 CG LEU A 11 13.859 10.837 -0.419 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.247 10.449 -1.757 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.348 10.523 -0.401 1.00 0.00 C ATOM 0 H LEU A 11 11.792 12.147 1.529 1.00 0.00 H new ATOM 0 HA LEU A 11 14.631 12.218 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.609 12.573 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.304 12.904 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 11 13.375 10.251 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.427 9.391 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.173 10.636 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.701 11.042 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.499 9.464 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.855 11.118 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.758 10.762 0.580 1.00 0.00 H new ATOM 140 N SER A 12 13.026 15.053 1.443 1.00 0.00 N ATOM 141 CA SER A 12 13.171 16.503 1.507 1.00 0.00 C ATOM 142 C SER A 12 14.069 16.908 2.671 1.00 0.00 C ATOM 143 O SER A 12 15.097 17.563 2.497 1.00 0.00 O ATOM 144 CB SER A 12 11.800 17.167 1.649 1.00 0.00 C ATOM 145 OG SER A 12 11.895 18.380 2.377 1.00 0.00 O ATOM 0 H SER A 12 12.060 14.725 1.440 1.00 0.00 H new ATOM 0 HA SER A 12 13.635 16.839 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.383 17.363 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.114 16.488 2.155 1.00 0.00 H new ATOM 0 HG SER A 12 11.006 18.786 2.453 1.00 0.00 H new ATOM 151 N PRO A 13 13.672 16.511 3.890 1.00 0.00 N ATOM 152 CA PRO A 13 14.427 16.821 5.108 1.00 0.00 C ATOM 153 C PRO A 13 15.746 16.060 5.182 1.00 0.00 C ATOM 154 O PRO A 13 16.681 16.483 5.863 1.00 0.00 O ATOM 155 CB PRO A 13 13.487 16.372 6.230 1.00 0.00 C ATOM 156 CG PRO A 13 12.629 15.324 5.610 1.00 0.00 C ATOM 157 CD PRO A 13 12.458 15.727 4.171 1.00 0.00 C ATOM 0 HA PRO A 13 14.704 17.874 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.045 15.976 7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.889 17.204 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.095 14.342 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.665 15.260 6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.380 14.858 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.554 16.319 4.024 1.00 0.00 H new ATOM 165 N CYS A 14 15.817 14.936 4.477 1.00 0.00 N ATOM 166 CA CYS A 14 17.022 14.116 4.462 1.00 0.00 C ATOM 167 C CYS A 14 18.030 14.649 3.447 1.00 0.00 C ATOM 168 O CYS A 14 19.212 14.308 3.492 1.00 0.00 O ATOM 169 CB CYS A 14 16.672 12.663 4.135 1.00 0.00 C ATOM 170 SG CYS A 14 15.976 11.733 5.538 1.00 0.00 S ATOM 0 H CYS A 14 15.053 14.572 3.908 1.00 0.00 H new ATOM 0 HA CYS A 14 17.473 14.159 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.957 12.649 3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.570 12.154 3.785 1.00 0.00 H new ATOM 175 N LEU A 15 17.553 15.487 2.533 1.00 0.00 N ATOM 176 CA LEU A 15 18.412 16.068 1.506 1.00 0.00 C ATOM 177 C LEU A 15 19.496 16.940 2.132 1.00 0.00 C ATOM 178 O LEU A 15 20.672 16.833 1.785 1.00 0.00 O ATOM 179 CB LEU A 15 17.579 16.895 0.525 1.00 0.00 C ATOM 180 CG LEU A 15 17.051 16.150 -0.701 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.253 17.088 -1.593 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.198 15.520 -1.478 1.00 0.00 C ATOM 0 H LEU A 15 16.577 15.779 2.482 1.00 0.00 H new ATOM 0 HA LEU A 15 18.894 15.253 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.730 17.314 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.185 17.734 0.182 1.00 0.00 H new ATOM 0 HG LEU A 15 16.389 15.354 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.885 16.540 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.409 17.491 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.892 17.906 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.803 14.994 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.886 16.299 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.728 14.815 -0.837 1.00 0.00 H new ATOM 194 N THR A 16 19.091 17.803 3.059 1.00 0.00 N ATOM 195 CA THR A 16 20.027 18.693 3.735 1.00 0.00 C ATOM 196 C THR A 16 21.221 17.921 4.284 1.00 0.00 C ATOM 197 O THR A 16 22.355 18.399 4.241 1.00 0.00 O ATOM 198 CB THR A 16 19.347 19.453 4.889 1.00 0.00 C ATOM 199 OG1 THR A 16 18.072 19.949 4.465 1.00 0.00 O ATOM 200 CG2 THR A 16 20.215 20.609 5.362 1.00 0.00 C ATOM 0 H THR A 16 18.121 17.904 3.359 1.00 0.00 H new ATOM 0 HA THR A 16 20.373 19.411 2.991 1.00 0.00 H new ATOM 0 HB THR A 16 19.209 18.760 5.719 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.645 20.429 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.714 21.131 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.173 20.225 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.381 21.301 4.536 1.00 0.00 H new ATOM 208 N TYR A 17 20.960 16.725 4.799 1.00 0.00 N ATOM 209 CA TYR A 17 22.014 15.887 5.358 1.00 0.00 C ATOM 210 C TYR A 17 22.695 15.067 4.267 1.00 0.00 C ATOM 211 O TYR A 17 23.897 14.806 4.329 1.00 0.00 O ATOM 212 CB TYR A 17 21.440 14.956 6.428 1.00 0.00 C ATOM 213 CG TYR A 17 22.497 14.267 7.261 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.612 14.959 7.717 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.380 12.923 7.593 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.580 14.333 8.477 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.343 12.289 8.355 1.00 0.00 C ATOM 218 CZ TYR A 17 24.441 12.998 8.794 1.00 0.00 C ATOM 219 OH TYR A 17 25.403 12.371 9.552 1.00 0.00 O ATOM 0 H TYR A 17 20.027 16.314 4.841 1.00 0.00 H new ATOM 0 HA TYR A 17 22.758 16.540 5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.788 15.531 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.820 14.200 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.724 16.005 7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.522 12.364 7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.441 14.886 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.236 11.244 8.605 1.00 0.00 H new ATOM 0 HH TYR A 17 25.154 11.433 9.686 1.00 0.00 H new ATOM 229 N LEU A 18 21.918 14.663 3.268 1.00 0.00 N ATOM 230 CA LEU A 18 22.444 13.873 2.161 1.00 0.00 C ATOM 231 C LEU A 18 23.312 14.729 1.244 1.00 0.00 C ATOM 232 O LEU A 18 23.982 14.217 0.347 1.00 0.00 O ATOM 233 CB LEU A 18 21.297 13.251 1.361 1.00 0.00 C ATOM 234 CG LEU A 18 20.787 11.899 1.861 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.615 11.425 1.015 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.907 10.869 1.849 1.00 0.00 C ATOM 0 H LEU A 18 20.921 14.870 3.202 1.00 0.00 H new ATOM 0 HA LEU A 18 23.062 13.078 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.462 13.952 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.623 13.134 0.327 1.00 0.00 H new ATOM 0 HG LEU A 18 20.442 12.019 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.265 10.461 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.805 12.152 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.933 11.321 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.526 9.913 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.282 10.751 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.716 11.204 2.498 1.00 0.00 H new ATOM 248 N THR A 19 23.297 16.038 1.477 1.00 0.00 N ATOM 249 CA THR A 19 24.083 16.966 0.674 1.00 0.00 C ATOM 250 C THR A 19 25.426 17.262 1.332 1.00 0.00 C ATOM 251 O THR A 19 26.330 17.807 0.701 1.00 0.00 O ATOM 252 CB THR A 19 23.331 18.292 0.450 1.00 0.00 C ATOM 253 OG1 THR A 19 22.552 18.615 1.608 1.00 0.00 O ATOM 254 CG2 THR A 19 22.423 18.201 -0.767 1.00 0.00 C ATOM 0 H THR A 19 22.749 16.479 2.216 1.00 0.00 H new ATOM 0 HA THR A 19 24.252 16.485 -0.289 1.00 0.00 H new ATOM 0 HB THR A 19 24.068 19.076 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.685 18.162 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.903 19.149 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.021 17.984 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.693 17.405 -0.618 1.00 0.00 H new ATOM 262 N GLY A 20 25.549 16.897 2.604 1.00 0.00 N ATOM 263 CA GLY A 20 26.786 17.131 3.326 1.00 0.00 C ATOM 264 C GLY A 20 26.628 18.156 4.431 1.00 0.00 C ATOM 265 O GLY A 20 27.607 18.567 5.052 1.00 0.00 O ATOM 0 H GLY A 20 24.815 16.444 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.137 16.192 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.552 17.469 2.628 1.00 0.00 H new ATOM 269 N GLY A 21 25.389 18.572 4.678 1.00 0.00 N ATOM 270 CA GLY A 21 25.128 19.553 5.714 1.00 0.00 C ATOM 271 C GLY A 21 24.969 18.922 7.083 1.00 0.00 C ATOM 272 O GLY A 21 25.326 17.764 7.302 1.00 0.00 O ATOM 0 H GLY A 21 24.562 18.246 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.945 20.273 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.223 20.107 5.465 1.00 0.00 H new ATOM 276 N PRO A 22 24.422 19.693 8.035 1.00 0.00 N ATOM 277 CA PRO A 22 24.204 19.224 9.406 1.00 0.00 C ATOM 278 C PRO A 22 23.105 18.170 9.491 1.00 0.00 C ATOM 279 O PRO A 22 22.074 18.280 8.829 1.00 0.00 O ATOM 280 CB PRO A 22 23.787 20.493 10.154 1.00 0.00 C ATOM 281 CG PRO A 22 23.206 21.377 9.104 1.00 0.00 C ATOM 282 CD PRO A 22 23.973 21.083 7.844 1.00 0.00 C ATOM 0 HA PRO A 22 25.091 18.743 9.817 1.00 0.00 H new ATOM 0 HB2 PRO A 22 23.058 20.272 10.933 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.641 20.964 10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 22 22.143 21.177 8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.300 22.427 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.346 21.185 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.815 21.764 7.718 1.00 0.00 H new ATOM 290 N GLY A 23 23.333 17.149 10.311 1.00 0.00 N ATOM 291 CA GLY A 23 22.352 16.090 10.468 1.00 0.00 C ATOM 292 C GLY A 23 22.949 14.830 11.062 1.00 0.00 C ATOM 293 O GLY A 23 24.064 14.833 11.585 1.00 0.00 O ATOM 0 H GLY A 23 24.179 17.036 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.542 16.441 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.914 15.858 9.497 1.00 0.00 H new ATOM 297 N PRO A 24 22.198 13.722 10.987 1.00 0.00 N ATOM 298 CA PRO A 24 20.869 13.707 10.367 1.00 0.00 C ATOM 299 C PRO A 24 19.837 14.470 11.190 1.00 0.00 C ATOM 300 O PRO A 24 19.795 14.351 12.414 1.00 0.00 O ATOM 301 CB PRO A 24 20.518 12.218 10.316 1.00 0.00 C ATOM 302 CG PRO A 24 21.312 11.604 11.416 1.00 0.00 C ATOM 303 CD PRO A 24 22.586 12.398 11.501 1.00 0.00 C ATOM 0 HA PRO A 24 20.869 14.192 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.450 12.058 10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.777 11.783 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.766 11.641 12.359 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.520 10.554 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.955 12.457 12.525 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.379 11.951 10.901 1.00 0.00 H new ATOM 311 N SER A 25 19.005 15.252 10.510 1.00 0.00 N ATOM 312 CA SER A 25 17.974 16.037 11.179 1.00 0.00 C ATOM 313 C SER A 25 16.958 15.128 11.863 1.00 0.00 C ATOM 314 O SER A 25 16.878 13.929 11.593 1.00 0.00 O ATOM 315 CB SER A 25 17.266 16.949 10.175 1.00 0.00 C ATOM 316 OG SER A 25 17.280 16.385 8.875 1.00 0.00 O ATOM 0 H SER A 25 19.025 15.359 9.496 1.00 0.00 H new ATOM 0 HA SER A 25 18.456 16.651 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.236 17.114 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.754 17.924 10.157 1.00 0.00 H new ATOM 0 HG SER A 25 16.688 16.901 8.288 1.00 0.00 H new ATOM 322 N PRO A 26 16.161 15.710 12.771 1.00 0.00 N ATOM 323 CA PRO A 26 15.135 14.973 13.513 1.00 0.00 C ATOM 324 C PRO A 26 13.972 14.544 12.624 1.00 0.00 C ATOM 325 O PRO A 26 13.524 13.400 12.683 1.00 0.00 O ATOM 326 CB PRO A 26 14.661 15.981 14.563 1.00 0.00 C ATOM 327 CG PRO A 26 14.955 17.314 13.966 1.00 0.00 C ATOM 328 CD PRO A 26 16.201 17.135 13.143 1.00 0.00 C ATOM 0 HA PRO A 26 15.526 14.048 13.937 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.597 15.866 14.771 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.187 15.845 15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.125 17.656 13.348 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.105 18.065 14.742 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.199 17.780 12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 17.098 17.377 13.713 1.00 0.00 H new ATOM 336 N GLN A 27 13.490 15.470 11.801 1.00 0.00 N ATOM 337 CA GLN A 27 12.379 15.186 10.900 1.00 0.00 C ATOM 338 C GLN A 27 12.765 14.120 9.880 1.00 0.00 C ATOM 339 O GLN A 27 11.931 13.315 9.463 1.00 0.00 O ATOM 340 CB GLN A 27 11.940 16.463 10.180 1.00 0.00 C ATOM 341 CG GLN A 27 11.235 17.460 11.086 1.00 0.00 C ATOM 342 CD GLN A 27 11.925 18.809 11.117 1.00 0.00 C ATOM 343 OE1 GLN A 27 13.145 18.892 11.262 1.00 0.00 O ATOM 344 NE2 GLN A 27 11.146 19.876 10.981 1.00 0.00 N ATOM 0 H GLN A 27 13.851 16.422 11.740 1.00 0.00 H new ATOM 0 HA GLN A 27 11.548 14.809 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.815 16.941 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.274 16.197 9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.207 17.590 10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.189 17.056 12.097 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.139 19.761 10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.554 20.811 10.994 1.00 0.00 H new ATOM 353 N CYS A 28 14.032 14.120 9.481 1.00 0.00 N ATOM 354 CA CYS A 28 14.528 13.154 8.508 1.00 0.00 C ATOM 355 C CYS A 28 14.484 11.739 9.077 1.00 0.00 C ATOM 356 O CYS A 28 13.941 10.825 8.456 1.00 0.00 O ATOM 357 CB CYS A 28 15.959 13.505 8.094 1.00 0.00 C ATOM 358 SG CYS A 28 16.835 12.159 7.233 1.00 0.00 S ATOM 0 H CYS A 28 14.735 14.779 9.817 1.00 0.00 H new ATOM 0 HA CYS A 28 13.883 13.195 7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.934 14.381 7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.525 13.783 8.983 1.00 0.00 H new ATOM 363 N CYS A 29 15.060 11.565 10.262 1.00 0.00 N ATOM 364 CA CYS A 29 15.087 10.262 10.916 1.00 0.00 C ATOM 365 C CYS A 29 13.687 9.659 10.985 1.00 0.00 C ATOM 366 O CYS A 29 13.476 8.508 10.605 1.00 0.00 O ATOM 367 CB CYS A 29 15.671 10.387 12.324 1.00 0.00 C ATOM 368 SG CYS A 29 17.468 10.683 12.360 1.00 0.00 S ATOM 0 H CYS A 29 15.515 12.311 10.789 1.00 0.00 H new ATOM 0 HA CYS A 29 15.720 9.600 10.325 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.169 11.203 12.843 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.453 9.474 12.879 1.00 0.00 H new ATOM 373 N GLY A 30 12.733 10.446 11.474 1.00 0.00 N ATOM 374 CA GLY A 30 11.366 9.973 11.584 1.00 0.00 C ATOM 375 C GLY A 30 10.825 9.448 10.269 1.00 0.00 C ATOM 376 O GLY A 30 10.221 8.377 10.221 1.00 0.00 O ATOM 0 H GLY A 30 12.883 11.402 11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.318 9.184 12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.731 10.786 11.936 1.00 0.00 H new ATOM 380 N GLY A 31 11.042 10.205 9.198 1.00 0.00 N ATOM 381 CA GLY A 31 10.564 9.794 7.890 1.00 0.00 C ATOM 382 C GLY A 31 11.274 8.557 7.376 1.00 0.00 C ATOM 383 O GLY A 31 10.652 7.680 6.776 1.00 0.00 O ATOM 0 H GLY A 31 11.540 11.095 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.493 9.599 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.705 10.611 7.182 1.00 0.00 H new ATOM 387 N VAL A 32 12.581 8.487 7.609 1.00 0.00 N ATOM 388 CA VAL A 32 13.376 7.348 7.165 1.00 0.00 C ATOM 389 C VAL A 32 12.805 6.038 7.695 1.00 0.00 C ATOM 390 O VAL A 32 12.463 5.140 6.925 1.00 0.00 O ATOM 391 CB VAL A 32 14.843 7.477 7.618 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.651 6.273 7.160 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.451 8.769 7.093 1.00 0.00 C ATOM 0 H VAL A 32 13.111 9.205 8.102 1.00 0.00 H new ATOM 0 HA VAL A 32 13.339 7.342 6.076 1.00 0.00 H new ATOM 0 HB VAL A 32 14.867 7.507 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.684 6.382 7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.227 5.365 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.622 6.207 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.487 8.844 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.416 8.771 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.886 9.619 7.476 1.00 0.00 H new ATOM 403 N LYS A 33 12.703 5.935 9.015 1.00 0.00 N ATOM 404 CA LYS A 33 12.171 4.735 9.651 1.00 0.00 C ATOM 405 C LYS A 33 10.763 4.432 9.148 1.00 0.00 C ATOM 406 O LYS A 33 10.306 3.290 9.202 1.00 0.00 O ATOM 407 CB LYS A 33 12.155 4.903 11.172 1.00 0.00 C ATOM 408 CG LYS A 33 13.500 4.638 11.827 1.00 0.00 C ATOM 409 CD LYS A 33 13.476 4.978 13.307 1.00 0.00 C ATOM 410 CE LYS A 33 13.506 3.725 14.168 1.00 0.00 C ATOM 411 NZ LYS A 33 12.833 3.936 15.479 1.00 0.00 N ATOM 0 H LYS A 33 12.982 6.669 9.666 1.00 0.00 H new ATOM 0 HA LYS A 33 12.819 3.898 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.836 5.917 11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.414 4.226 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.768 3.589 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.270 5.228 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.331 5.608 13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.580 5.555 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.018 2.908 13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.540 3.424 14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.875 3.059 16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.314 4.699 15.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.839 4.198 15.321 1.00 0.00 H new ATOM 425 N LYS A 34 10.080 5.461 8.658 1.00 0.00 N ATOM 426 CA LYS A 34 8.725 5.305 8.142 1.00 0.00 C ATOM 427 C LYS A 34 8.735 4.587 6.796 1.00 0.00 C ATOM 428 O LYS A 34 7.894 3.726 6.535 1.00 0.00 O ATOM 429 CB LYS A 34 8.052 6.672 7.998 1.00 0.00 C ATOM 430 CG LYS A 34 6.535 6.608 8.023 1.00 0.00 C ATOM 431 CD LYS A 34 5.951 6.653 6.621 1.00 0.00 C ATOM 432 CE LYS A 34 4.458 6.939 6.648 1.00 0.00 C ATOM 433 NZ LYS A 34 3.878 6.991 5.277 1.00 0.00 N ATOM 0 H LYS A 34 10.443 6.413 8.607 1.00 0.00 H new ATOM 0 HA LYS A 34 8.159 4.701 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.393 7.322 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.373 7.129 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.217 5.692 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.145 7.441 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.459 7.422 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.131 5.702 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.951 6.168 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.279 7.888 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.859 7.188 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.344 7.744 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.026 6.077 4.803 1.00 0.00 H new ATOM 447 N LEU A 35 9.691 4.945 5.946 1.00 0.00 N ATOM 448 CA LEU A 35 9.811 4.334 4.627 1.00 0.00 C ATOM 449 C LEU A 35 10.147 2.850 4.743 1.00 0.00 C ATOM 450 O LEU A 35 9.641 2.026 3.980 1.00 0.00 O ATOM 451 CB LEU A 35 10.886 5.049 3.808 1.00 0.00 C ATOM 452 CG LEU A 35 10.903 4.742 2.310 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.629 5.840 1.548 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.553 3.391 2.050 1.00 0.00 C ATOM 0 H LEU A 35 10.395 5.656 6.147 1.00 0.00 H new ATOM 0 HA LEU A 35 8.851 4.432 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.758 6.124 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.861 4.792 4.222 1.00 0.00 H new ATOM 0 HG LEU A 35 9.873 4.702 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.631 5.604 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.121 6.791 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.656 5.913 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.556 3.189 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.578 3.403 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.991 2.612 2.564 1.00 0.00 H new ATOM 466 N LEU A 36 11.002 2.516 5.704 1.00 0.00 N ATOM 467 CA LEU A 36 11.404 1.131 5.922 1.00 0.00 C ATOM 468 C LEU A 36 10.338 0.371 6.705 1.00 0.00 C ATOM 469 O LEU A 36 10.233 -0.851 6.604 1.00 0.00 O ATOM 470 CB LEU A 36 12.738 1.078 6.670 1.00 0.00 C ATOM 471 CG LEU A 36 13.778 2.122 6.261 1.00 0.00 C ATOM 472 CD1 LEU A 36 14.970 2.086 7.205 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.226 1.893 4.825 1.00 0.00 C ATOM 0 H LEU A 36 11.430 3.185 6.344 1.00 0.00 H new ATOM 0 HA LEU A 36 11.521 0.655 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.539 1.191 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.172 0.088 6.530 1.00 0.00 H new ATOM 0 HG LEU A 36 13.320 3.109 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 15.700 2.836 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.636 2.299 8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.430 1.098 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 36 14.966 2.645 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.667 0.900 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.366 1.970 4.159 1.00 0.00 H new ATOM 485 N ALA A 37 9.549 1.104 7.484 1.00 0.00 N ATOM 486 CA ALA A 37 8.489 0.500 8.281 1.00 0.00 C ATOM 487 C ALA A 37 7.266 0.191 7.424 1.00 0.00 C ATOM 488 O ALA A 37 6.509 -0.734 7.716 1.00 0.00 O ATOM 489 CB ALA A 37 8.109 1.415 9.436 1.00 0.00 C ATOM 0 H ALA A 37 9.624 2.117 7.580 1.00 0.00 H new ATOM 0 HA ALA A 37 8.864 -0.440 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.316 0.951 10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.980 1.581 10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.759 2.370 9.044 1.00 0.00 H new ATOM 495 N ALA A 38 7.078 0.973 6.366 1.00 0.00 N ATOM 496 CA ALA A 38 5.948 0.782 5.466 1.00 0.00 C ATOM 497 C ALA A 38 6.250 -0.290 4.425 1.00 0.00 C ATOM 498 O ALA A 38 5.391 -0.645 3.618 1.00 0.00 O ATOM 499 CB ALA A 38 5.588 2.094 4.785 1.00 0.00 C ATOM 0 H ALA A 38 7.694 1.745 6.111 1.00 0.00 H new ATOM 0 HA ALA A 38 5.097 0.447 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.742 1.936 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.321 2.834 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.443 2.453 4.212 1.00 0.00 H new ATOM 505 N ALA A 39 7.476 -0.803 4.449 1.00 0.00 N ATOM 506 CA ALA A 39 7.890 -1.836 3.508 1.00 0.00 C ATOM 507 C ALA A 39 8.427 -3.062 4.239 1.00 0.00 C ATOM 508 O ALA A 39 9.449 -2.991 4.921 1.00 0.00 O ATOM 509 CB ALA A 39 8.939 -1.289 2.551 1.00 0.00 C ATOM 0 H ALA A 39 8.199 -0.520 5.110 1.00 0.00 H new ATOM 0 HA ALA A 39 7.015 -2.142 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.239 -2.071 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.522 -0.449 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.808 -0.954 3.117 1.00 0.00 H new ATOM 515 N ASN A 40 7.731 -4.185 4.093 1.00 0.00 N ATOM 516 CA ASN A 40 8.138 -5.426 4.742 1.00 0.00 C ATOM 517 C ASN A 40 8.483 -6.492 3.707 1.00 0.00 C ATOM 518 O ASN A 40 9.432 -7.258 3.880 1.00 0.00 O ATOM 519 CB ASN A 40 7.026 -5.933 5.662 1.00 0.00 C ATOM 520 CG ASN A 40 7.566 -6.712 6.846 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.372 -6.202 7.624 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.122 -7.956 6.987 1.00 0.00 N ATOM 0 H ASN A 40 6.883 -4.261 3.531 1.00 0.00 H new ATOM 0 HA ASN A 40 9.028 -5.221 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.443 -5.086 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.347 -6.568 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.449 -8.529 7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.454 -8.338 6.318 1.00 0.00 H new ATOM 529 N THR A 41 7.706 -6.537 2.630 1.00 0.00 N ATOM 530 CA THR A 41 7.928 -7.510 1.567 1.00 0.00 C ATOM 531 C THR A 41 8.932 -6.989 0.546 1.00 0.00 C ATOM 532 O THR A 41 9.555 -5.945 0.748 1.00 0.00 O ATOM 533 CB THR A 41 6.614 -7.862 0.844 1.00 0.00 C ATOM 534 OG1 THR A 41 6.151 -6.735 0.092 1.00 0.00 O ATOM 535 CG2 THR A 41 5.545 -8.287 1.840 1.00 0.00 C ATOM 0 H THR A 41 6.917 -5.911 2.470 1.00 0.00 H new ATOM 0 HA THR A 41 8.326 -8.408 2.039 1.00 0.00 H new ATOM 0 HB THR A 41 6.809 -8.694 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.316 -6.968 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.626 -8.531 1.306 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.888 -9.163 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.354 -7.472 2.538 1.00 0.00 H new ATOM 543 N THR A 42 9.086 -7.721 -0.553 1.00 0.00 N ATOM 544 CA THR A 42 10.016 -7.332 -1.606 1.00 0.00 C ATOM 545 C THR A 42 9.410 -6.263 -2.508 1.00 0.00 C ATOM 546 O THR A 42 10.020 -5.230 -2.784 1.00 0.00 O ATOM 547 CB THR A 42 10.426 -8.542 -2.467 1.00 0.00 C ATOM 548 OG1 THR A 42 10.342 -9.744 -1.695 1.00 0.00 O ATOM 549 CG2 THR A 42 11.841 -8.372 -2.999 1.00 0.00 C ATOM 0 H THR A 42 8.579 -8.587 -0.737 1.00 0.00 H new ATOM 0 HA THR A 42 10.901 -6.928 -1.114 1.00 0.00 H new ATOM 0 HB THR A 42 9.742 -8.607 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.603 -10.508 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.109 -9.238 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.894 -7.472 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.536 -8.284 -2.164 1.00 0.00 H new ATOM 557 N PRO A 43 8.179 -6.514 -2.979 1.00 0.00 N ATOM 558 CA PRO A 43 7.463 -5.583 -3.856 1.00 0.00 C ATOM 559 C PRO A 43 7.496 -4.151 -3.333 1.00 0.00 C ATOM 560 O PRO A 43 7.737 -3.209 -4.088 1.00 0.00 O ATOM 561 CB PRO A 43 6.030 -6.121 -3.850 1.00 0.00 C ATOM 562 CG PRO A 43 6.172 -7.573 -3.547 1.00 0.00 C ATOM 563 CD PRO A 43 7.392 -7.724 -2.692 1.00 0.00 C ATOM 0 HA PRO A 43 7.910 -5.533 -4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.421 -5.618 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.544 -5.963 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.289 -7.947 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.271 -8.151 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.133 -7.791 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.946 -8.629 -2.942 1.00 0.00 H new ATOM 571 N ASP A 44 7.252 -3.994 -2.036 1.00 0.00 N ATOM 572 CA ASP A 44 7.256 -2.677 -1.411 1.00 0.00 C ATOM 573 C ASP A 44 8.648 -2.055 -1.461 1.00 0.00 C ATOM 574 O ASP A 44 8.806 -0.890 -1.825 1.00 0.00 O ATOM 575 CB ASP A 44 6.779 -2.775 0.039 1.00 0.00 C ATOM 576 CG ASP A 44 5.278 -2.608 0.167 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.576 -2.753 -0.855 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.805 -2.331 1.290 1.00 0.00 O ATOM 0 H ASP A 44 7.049 -4.763 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 44 6.572 -2.037 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.070 -3.742 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.279 -2.012 0.635 1.00 0.00 H new ATOM 583 N ARG A 45 9.655 -2.841 -1.092 1.00 0.00 N ATOM 584 CA ARG A 45 11.033 -2.367 -1.092 1.00 0.00 C ATOM 585 C ARG A 45 11.472 -1.971 -2.499 1.00 0.00 C ATOM 586 O ARG A 45 12.329 -1.105 -2.670 1.00 0.00 O ATOM 587 CB ARG A 45 11.966 -3.447 -0.541 1.00 0.00 C ATOM 588 CG ARG A 45 11.724 -3.772 0.924 1.00 0.00 C ATOM 589 CD ARG A 45 12.663 -2.993 1.831 1.00 0.00 C ATOM 590 NE ARG A 45 12.653 -3.504 3.199 1.00 0.00 N ATOM 591 CZ ARG A 45 13.232 -2.882 4.220 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.862 -1.732 4.029 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.180 -3.410 5.436 1.00 0.00 N ATOM 0 H ARG A 45 9.542 -3.808 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 45 11.088 -1.487 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.844 -4.356 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.999 -3.121 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.691 -3.540 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.862 -4.841 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.676 -3.044 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.374 -1.942 1.835 1.00 0.00 H new ATOM 0 HE ARG A 45 12.175 -4.387 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.903 -1.322 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.306 -1.257 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.695 -4.294 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.625 -2.932 6.219 1.00 0.00 H new ATOM 607 N GLN A 46 10.878 -2.611 -3.500 1.00 0.00 N ATOM 608 CA GLN A 46 11.208 -2.326 -4.892 1.00 0.00 C ATOM 609 C GLN A 46 10.755 -0.923 -5.282 1.00 0.00 C ATOM 610 O GLN A 46 11.539 -0.130 -5.803 1.00 0.00 O ATOM 611 CB GLN A 46 10.560 -3.359 -5.814 1.00 0.00 C ATOM 612 CG GLN A 46 11.438 -4.570 -6.084 1.00 0.00 C ATOM 613 CD GLN A 46 11.186 -5.183 -7.448 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.866 -4.480 -8.407 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.327 -6.500 -7.541 1.00 0.00 N ATOM 0 H GLN A 46 10.166 -3.330 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 46 12.291 -2.382 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.622 -3.693 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.312 -2.882 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.486 -4.278 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.261 -5.321 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.594 -7.044 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.169 -6.968 -8.433 1.00 0.00 H new ATOM 624 N ALA A 47 9.486 -0.624 -5.027 1.00 0.00 N ATOM 625 CA ALA A 47 8.929 0.684 -5.351 1.00 0.00 C ATOM 626 C ALA A 47 9.747 1.802 -4.714 1.00 0.00 C ATOM 627 O ALA A 47 10.262 2.679 -5.407 1.00 0.00 O ATOM 628 CB ALA A 47 7.478 0.766 -4.899 1.00 0.00 C ATOM 0 H ALA A 47 8.824 -1.270 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 47 8.969 0.811 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.075 1.748 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.895 -0.004 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.423 0.613 -3.821 1.00 0.00 H new ATOM 634 N ALA A 48 9.864 1.764 -3.390 1.00 0.00 N ATOM 635 CA ALA A 48 10.621 2.773 -2.661 1.00 0.00 C ATOM 636 C ALA A 48 12.037 2.901 -3.211 1.00 0.00 C ATOM 637 O ALA A 48 12.488 3.998 -3.543 1.00 0.00 O ATOM 638 CB ALA A 48 10.658 2.435 -1.178 1.00 0.00 C ATOM 0 H ALA A 48 9.444 1.045 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 48 10.120 3.732 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.227 3.197 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.641 2.402 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.133 1.464 -1.038 1.00 0.00 H new ATOM 644 N CYS A 49 12.734 1.774 -3.306 1.00 0.00 N ATOM 645 CA CYS A 49 14.100 1.760 -3.816 1.00 0.00 C ATOM 646 C CYS A 49 14.205 2.556 -5.114 1.00 0.00 C ATOM 647 O CYS A 49 15.172 3.284 -5.331 1.00 0.00 O ATOM 648 CB CYS A 49 14.566 0.321 -4.047 1.00 0.00 C ATOM 649 SG CYS A 49 15.357 -0.447 -2.597 1.00 0.00 S ATOM 0 H CYS A 49 12.375 0.858 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 49 14.744 2.228 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.709 -0.284 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.268 0.307 -4.880 1.00 0.00 H new ATOM 654 N ASN A 50 13.202 2.410 -5.973 1.00 0.00 N ATOM 655 CA ASN A 50 13.180 3.114 -7.250 1.00 0.00 C ATOM 656 C ASN A 50 13.103 4.623 -7.038 1.00 0.00 C ATOM 657 O ASN A 50 13.863 5.385 -7.635 1.00 0.00 O ATOM 658 CB ASN A 50 11.995 2.645 -8.095 1.00 0.00 C ATOM 659 CG ASN A 50 12.071 1.167 -8.429 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.147 0.636 -8.702 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.925 0.496 -8.407 1.00 0.00 N ATOM 0 H ASN A 50 12.393 1.810 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 50 14.106 2.886 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.068 2.846 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.960 3.222 -9.019 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.914 -0.501 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.056 0.978 -8.175 1.00 0.00 H new ATOM 668 N CYS A 51 12.179 5.048 -6.182 1.00 0.00 N ATOM 669 CA CYS A 51 12.000 6.465 -5.890 1.00 0.00 C ATOM 670 C CYS A 51 13.236 7.038 -5.203 1.00 0.00 C ATOM 671 O CYS A 51 13.622 8.182 -5.448 1.00 0.00 O ATOM 672 CB CYS A 51 10.769 6.673 -5.006 1.00 0.00 C ATOM 673 SG CYS A 51 9.184 6.394 -5.860 1.00 0.00 S ATOM 0 H CYS A 51 11.542 4.430 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 51 11.854 6.990 -6.834 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.832 6.001 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.784 7.690 -4.614 1.00 0.00 H new ATOM 678 N LEU A 52 13.853 6.236 -4.342 1.00 0.00 N ATOM 679 CA LEU A 52 15.046 6.663 -3.619 1.00 0.00 C ATOM 680 C LEU A 52 16.241 6.778 -4.560 1.00 0.00 C ATOM 681 O LEU A 52 16.904 7.814 -4.615 1.00 0.00 O ATOM 682 CB LEU A 52 15.363 5.678 -2.492 1.00 0.00 C ATOM 683 CG LEU A 52 14.721 5.979 -1.137 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.011 4.861 -0.148 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.216 7.313 -0.597 1.00 0.00 C ATOM 0 H LEU A 52 13.547 5.287 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 52 14.849 7.645 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.049 4.683 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.444 5.644 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 52 13.642 6.043 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.546 5.093 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.607 3.924 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.088 4.764 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.749 7.511 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.299 7.277 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.956 8.108 -1.296 1.00 0.00 H new ATOM 697 N LYS A 53 16.510 5.708 -5.300 1.00 0.00 N ATOM 698 CA LYS A 53 17.622 5.689 -6.242 1.00 0.00 C ATOM 699 C LYS A 53 17.581 6.908 -7.158 1.00 0.00 C ATOM 700 O LYS A 53 18.609 7.529 -7.428 1.00 0.00 O ATOM 701 CB LYS A 53 17.587 4.407 -7.078 1.00 0.00 C ATOM 702 CG LYS A 53 18.961 3.930 -7.517 1.00 0.00 C ATOM 703 CD LYS A 53 19.075 2.416 -7.443 1.00 0.00 C ATOM 704 CE LYS A 53 18.059 1.736 -8.348 1.00 0.00 C ATOM 705 NZ LYS A 53 18.092 2.287 -9.731 1.00 0.00 N ATOM 0 H LYS A 53 15.972 4.842 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 53 18.550 5.718 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.106 3.619 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.971 4.576 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.153 4.261 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.724 4.385 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.081 2.111 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.924 2.088 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.260 0.665 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.060 1.861 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.569 1.654 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.652 3.229 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.079 2.363 -10.051 1.00 0.00 H new ATOM 719 N SER A 54 16.386 7.245 -7.633 1.00 0.00 N ATOM 720 CA SER A 54 16.211 8.389 -8.521 1.00 0.00 C ATOM 721 C SER A 54 16.383 9.699 -7.759 1.00 0.00 C ATOM 722 O SER A 54 16.797 10.710 -8.326 1.00 0.00 O ATOM 723 CB SER A 54 14.830 8.345 -9.177 1.00 0.00 C ATOM 724 OG SER A 54 14.653 7.148 -9.915 1.00 0.00 O ATOM 0 H SER A 54 15.525 6.742 -7.418 1.00 0.00 H new ATOM 0 HA SER A 54 16.976 8.337 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.058 8.421 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.710 9.204 -9.837 1.00 0.00 H new ATOM 0 HG SER A 54 14.383 6.427 -9.309 1.00 0.00 H new ATOM 730 N ALA A 55 16.063 9.673 -6.469 1.00 0.00 N ATOM 731 CA ALA A 55 16.184 10.858 -5.628 1.00 0.00 C ATOM 732 C ALA A 55 17.645 11.162 -5.316 1.00 0.00 C ATOM 733 O ALA A 55 18.135 12.256 -5.597 1.00 0.00 O ATOM 734 CB ALA A 55 15.394 10.674 -4.341 1.00 0.00 C ATOM 0 H ALA A 55 15.718 8.845 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 55 15.773 11.706 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.493 11.566 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.343 10.513 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.779 9.811 -3.798 1.00 0.00 H new ATOM 740 N ALA A 56 18.336 10.189 -4.733 1.00 0.00 N ATOM 741 CA ALA A 56 19.742 10.353 -4.383 1.00 0.00 C ATOM 742 C ALA A 56 20.602 10.514 -5.632 1.00 0.00 C ATOM 743 O ALA A 56 21.679 11.108 -5.583 1.00 0.00 O ATOM 744 CB ALA A 56 20.222 9.169 -3.558 1.00 0.00 C ATOM 0 H ALA A 56 17.945 9.278 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 56 19.840 11.260 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.273 9.305 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.633 9.101 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.104 8.252 -4.135 1.00 0.00 H new ATOM 750 N GLY A 57 20.120 9.981 -6.751 1.00 0.00 N ATOM 751 CA GLY A 57 20.859 10.075 -7.996 1.00 0.00 C ATOM 752 C GLY A 57 21.086 11.511 -8.427 1.00 0.00 C ATOM 753 O GLY A 57 21.954 11.787 -9.255 1.00 0.00 O ATOM 0 H GLY A 57 19.231 9.486 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.822 9.576 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.316 9.545 -8.779 1.00 0.00 H new ATOM 757 N SER A 58 20.303 12.427 -7.867 1.00 0.00 N ATOM 758 CA SER A 58 20.419 13.841 -8.202 1.00 0.00 C ATOM 759 C SER A 58 21.203 14.591 -7.130 1.00 0.00 C ATOM 760 O SER A 58 21.085 15.810 -6.998 1.00 0.00 O ATOM 761 CB SER A 58 19.031 14.464 -8.365 1.00 0.00 C ATOM 762 OG SER A 58 18.297 13.813 -9.387 1.00 0.00 O ATOM 0 H SER A 58 19.581 12.215 -7.179 1.00 0.00 H new ATOM 0 HA SER A 58 20.959 13.922 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.486 14.398 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 58 19.130 15.523 -8.602 1.00 0.00 H new ATOM 0 HG SER A 58 17.413 14.228 -9.470 1.00 0.00 H new ATOM 768 N ILE A 59 22.003 13.854 -6.367 1.00 0.00 N ATOM 769 CA ILE A 59 22.808 14.449 -5.307 1.00 0.00 C ATOM 770 C ILE A 59 24.213 14.776 -5.801 1.00 0.00 C ATOM 771 O ILE A 59 24.992 13.881 -6.131 1.00 0.00 O ATOM 772 CB ILE A 59 22.909 13.516 -4.086 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.517 13.226 -3.521 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.802 14.133 -3.020 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.840 14.442 -2.929 1.00 0.00 C ATOM 0 H ILE A 59 22.111 12.844 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 59 22.307 15.370 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 59 23.354 12.573 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.889 12.821 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.598 12.456 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.863 13.462 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.800 14.292 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.383 15.088 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.858 14.162 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.447 14.836 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.727 15.206 -3.698 1.00 0.00 H new ATOM 787 N THR A 60 24.533 16.065 -5.848 1.00 0.00 N ATOM 788 CA THR A 60 25.845 16.512 -6.301 1.00 0.00 C ATOM 789 C THR A 60 26.957 15.880 -5.471 1.00 0.00 C ATOM 790 O THR A 60 27.107 16.177 -4.286 1.00 0.00 O ATOM 791 CB THR A 60 25.972 18.045 -6.227 1.00 0.00 C ATOM 792 OG1 THR A 60 27.334 18.434 -6.442 1.00 0.00 O ATOM 793 CG2 THR A 60 25.498 18.564 -4.878 1.00 0.00 C ATOM 0 H THR A 60 23.901 16.819 -5.578 1.00 0.00 H new ATOM 0 HA THR A 60 25.946 16.196 -7.339 1.00 0.00 H new ATOM 0 HB THR A 60 25.343 18.477 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.407 19.410 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.598 19.649 -4.850 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.453 18.292 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.103 18.124 -4.086 1.00 0.00 H new ATOM 801 N LYS A 61 27.735 15.007 -6.101 1.00 0.00 N ATOM 802 CA LYS A 61 28.836 14.334 -5.422 1.00 0.00 C ATOM 803 C LYS A 61 28.332 13.541 -4.221 1.00 0.00 C ATOM 804 O LYS A 61 28.797 13.734 -3.097 1.00 0.00 O ATOM 805 CB LYS A 61 29.884 15.354 -4.970 1.00 0.00 C ATOM 806 CG LYS A 61 30.859 15.751 -6.065 1.00 0.00 C ATOM 807 CD LYS A 61 32.177 16.238 -5.487 1.00 0.00 C ATOM 808 CE LYS A 61 33.350 15.859 -6.378 1.00 0.00 C ATOM 809 NZ LYS A 61 34.645 16.350 -5.831 1.00 0.00 N ATOM 0 H LYS A 61 27.624 14.749 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 61 29.294 13.640 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.376 16.247 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.443 14.941 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.040 14.898 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.418 16.536 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.145 17.321 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.320 15.811 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.389 14.775 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.197 16.272 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.419 16.071 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.618 17.387 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.804 15.936 -4.890 1.00 0.00 H new ATOM 823 N LEU A 62 27.378 12.649 -4.465 1.00 0.00 N ATOM 824 CA LEU A 62 26.811 11.825 -3.403 1.00 0.00 C ATOM 825 C LEU A 62 27.912 11.140 -2.599 1.00 0.00 C ATOM 826 O LEU A 62 28.899 10.665 -3.159 1.00 0.00 O ATOM 827 CB LEU A 62 25.866 10.777 -3.993 1.00 0.00 C ATOM 828 CG LEU A 62 25.319 9.739 -3.013 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.008 10.215 -2.408 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.133 8.397 -3.706 1.00 0.00 C ATOM 0 H LEU A 62 26.981 12.478 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 62 26.249 12.475 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.023 11.294 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.391 10.252 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 62 26.042 9.612 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.634 9.463 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.172 11.152 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.277 10.372 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.743 7.670 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.430 8.508 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.092 8.050 -4.090 1.00 0.00 H new ATOM 842 N ASN A 63 27.733 11.090 -1.283 1.00 0.00 N ATOM 843 CA ASN A 63 28.710 10.461 -0.402 1.00 0.00 C ATOM 844 C ASN A 63 28.167 9.154 0.167 1.00 0.00 C ATOM 845 O ASN A 63 27.330 9.157 1.071 1.00 0.00 O ATOM 846 CB ASN A 63 29.085 11.410 0.738 1.00 0.00 C ATOM 847 CG ASN A 63 30.504 11.194 1.227 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.912 10.067 1.505 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.264 12.278 1.333 1.00 0.00 N ATOM 0 H ASN A 63 26.920 11.478 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 63 29.601 10.239 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.973 12.441 0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.392 11.269 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.228 12.195 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.884 13.193 1.091 1.00 0.00 H new ATOM 856 N THR A 64 28.649 8.036 -0.367 1.00 0.00 N ATOM 857 CA THR A 64 28.212 6.722 0.086 1.00 0.00 C ATOM 858 C THR A 64 28.365 6.583 1.597 1.00 0.00 C ATOM 859 O THR A 64 27.550 5.938 2.255 1.00 0.00 O ATOM 860 CB THR A 64 29.007 5.597 -0.604 1.00 0.00 C ATOM 861 OG1 THR A 64 30.408 5.889 -0.561 1.00 0.00 O ATOM 862 CG2 THR A 64 28.563 5.430 -2.050 1.00 0.00 C ATOM 0 H THR A 64 29.343 8.015 -1.114 1.00 0.00 H new ATOM 0 HA THR A 64 27.159 6.629 -0.181 1.00 0.00 H new ATOM 0 HB THR A 64 28.814 4.666 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 64 30.906 5.168 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.138 4.630 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.503 5.179 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.730 6.361 -2.592 1.00 0.00 H new ATOM 870 N ASN A 65 29.414 7.192 2.140 1.00 0.00 N ATOM 871 CA ASN A 65 29.673 7.135 3.574 1.00 0.00 C ATOM 872 C ASN A 65 28.589 7.876 4.352 1.00 0.00 C ATOM 873 O ASN A 65 28.124 7.405 5.389 1.00 0.00 O ATOM 874 CB ASN A 65 31.044 7.737 3.890 1.00 0.00 C ATOM 875 CG ASN A 65 32.153 6.703 3.845 1.00 0.00 C ATOM 876 OD1 ASN A 65 31.995 5.632 3.259 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.282 7.020 4.468 1.00 0.00 N ATOM 0 H ASN A 65 30.098 7.731 1.609 1.00 0.00 H new ATOM 0 HA ASN A 65 29.664 6.088 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.262 8.531 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.018 8.195 4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.063 6.364 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.368 7.920 4.941 1.00 0.00 H new ATOM 884 N ASN A 66 28.191 9.037 3.842 1.00 0.00 N ATOM 885 CA ASN A 66 27.161 9.842 4.488 1.00 0.00 C ATOM 886 C ASN A 66 25.799 9.163 4.394 1.00 0.00 C ATOM 887 O ASN A 66 25.025 9.164 5.351 1.00 0.00 O ATOM 888 CB ASN A 66 27.096 11.232 3.851 1.00 0.00 C ATOM 889 CG ASN A 66 28.411 11.979 3.957 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.394 11.457 4.485 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.435 13.209 3.456 1.00 0.00 N ATOM 0 H ASN A 66 28.566 9.441 2.984 1.00 0.00 H new ATOM 0 HA ASN A 66 27.423 9.944 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.820 11.135 2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.311 11.814 4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.292 13.761 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.597 13.602 3.027 1.00 0.00 H new ATOM 898 N ALA A 67 25.513 8.582 3.233 1.00 0.00 N ATOM 899 CA ALA A 67 24.246 7.896 3.014 1.00 0.00 C ATOM 900 C ALA A 67 24.042 6.779 4.032 1.00 0.00 C ATOM 901 O ALA A 67 22.938 6.579 4.535 1.00 0.00 O ATOM 902 CB ALA A 67 24.184 7.340 1.599 1.00 0.00 C ATOM 0 H ALA A 67 26.142 8.573 2.430 1.00 0.00 H new ATOM 0 HA ALA A 67 23.443 8.621 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.232 6.830 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.274 8.157 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.001 6.634 1.449 1.00 0.00 H new ATOM 908 N ALA A 68 25.116 6.054 4.330 1.00 0.00 N ATOM 909 CA ALA A 68 25.055 4.958 5.290 1.00 0.00 C ATOM 910 C ALA A 68 25.000 5.484 6.720 1.00 0.00 C ATOM 911 O ALA A 68 24.462 4.828 7.612 1.00 0.00 O ATOM 912 CB ALA A 68 26.249 4.033 5.110 1.00 0.00 C ATOM 0 H ALA A 68 26.038 6.206 3.921 1.00 0.00 H new ATOM 0 HA ALA A 68 24.141 4.394 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.191 3.219 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.242 3.623 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.170 4.593 5.268 1.00 0.00 H new ATOM 918 N ALA A 69 25.562 6.669 6.932 1.00 0.00 N ATOM 919 CA ALA A 69 25.576 7.282 8.255 1.00 0.00 C ATOM 920 C ALA A 69 24.192 7.796 8.636 1.00 0.00 C ATOM 921 O ALA A 69 23.848 7.866 9.817 1.00 0.00 O ATOM 922 CB ALA A 69 26.592 8.414 8.301 1.00 0.00 C ATOM 0 H ALA A 69 26.014 7.224 6.205 1.00 0.00 H new ATOM 0 HA ALA A 69 25.864 6.520 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.592 8.863 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.585 8.021 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.328 9.170 7.561 1.00 0.00 H new ATOM 928 N LEU A 70 23.401 8.155 7.630 1.00 0.00 N ATOM 929 CA LEU A 70 22.053 8.664 7.861 1.00 0.00 C ATOM 930 C LEU A 70 21.240 7.688 8.704 1.00 0.00 C ATOM 931 O LEU A 70 20.743 8.023 9.780 1.00 0.00 O ATOM 932 CB LEU A 70 21.347 8.915 6.527 1.00 0.00 C ATOM 933 CG LEU A 70 19.823 8.789 6.541 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.218 9.746 7.556 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.254 9.050 5.154 1.00 0.00 C ATOM 0 H LEU A 70 23.670 8.103 6.647 1.00 0.00 H new ATOM 0 HA LEU A 70 22.134 9.605 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.606 9.917 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.743 8.215 5.792 1.00 0.00 H new ATOM 0 HG LEU A 70 19.564 7.771 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.133 9.642 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.601 9.513 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.486 10.770 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.168 8.956 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.523 10.057 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.663 8.324 4.451 1.00 0.00 H new ATOM 947 N PRO A 71 21.101 6.449 8.209 1.00 0.00 N ATOM 948 CA PRO A 71 20.351 5.398 8.902 1.00 0.00 C ATOM 949 C PRO A 71 21.058 4.919 10.165 1.00 0.00 C ATOM 950 O PRO A 71 20.417 4.622 11.173 1.00 0.00 O ATOM 951 CB PRO A 71 20.281 4.271 7.868 1.00 0.00 C ATOM 952 CG PRO A 71 21.463 4.491 6.988 1.00 0.00 C ATOM 953 CD PRO A 71 21.667 5.979 6.933 1.00 0.00 C ATOM 0 HA PRO A 71 19.375 5.748 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.320 3.292 8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.351 4.312 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.345 3.991 7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.289 4.084 5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.722 6.237 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.156 6.423 6.079 1.00 0.00 H new ATOM 961 N GLY A 72 22.384 4.846 10.105 1.00 0.00 N ATOM 962 CA GLY A 72 23.156 4.402 11.251 1.00 0.00 C ATOM 963 C GLY A 72 23.023 5.338 12.436 1.00 0.00 C ATOM 964 O GLY A 72 22.814 4.895 13.566 1.00 0.00 O ATOM 0 H GLY A 72 22.938 5.087 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.828 3.404 11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.206 4.323 10.970 1.00 0.00 H new ATOM 968 N LYS A 73 23.146 6.636 12.180 1.00 0.00 N ATOM 969 CA LYS A 73 23.040 7.637 13.235 1.00 0.00 C ATOM 970 C LYS A 73 21.586 7.834 13.654 1.00 0.00 C ATOM 971 O LYS A 73 21.305 8.287 14.764 1.00 0.00 O ATOM 972 CB LYS A 73 23.629 8.969 12.763 1.00 0.00 C ATOM 973 CG LYS A 73 25.132 9.073 12.963 1.00 0.00 C ATOM 974 CD LYS A 73 25.891 8.647 11.718 1.00 0.00 C ATOM 975 CE LYS A 73 27.392 8.616 11.963 1.00 0.00 C ATOM 976 NZ LYS A 73 27.869 9.856 12.636 1.00 0.00 N ATOM 0 H LYS A 73 23.319 7.019 11.251 1.00 0.00 H new ATOM 0 HA LYS A 73 23.604 7.281 14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.401 9.103 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.142 9.783 13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.396 10.099 13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.432 8.449 13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.552 7.660 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.669 9.335 10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.642 7.750 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.913 8.495 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.906 9.908 12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.452 10.687 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.582 9.841 13.636 1.00 0.00 H new ATOM 990 N CYS A 74 20.666 7.488 12.760 1.00 0.00 N ATOM 991 CA CYS A 74 19.241 7.625 13.036 1.00 0.00 C ATOM 992 C CYS A 74 18.720 6.420 13.814 1.00 0.00 C ATOM 993 O CYS A 74 17.529 6.325 14.108 1.00 0.00 O ATOM 994 CB CYS A 74 18.459 7.781 11.731 1.00 0.00 C ATOM 995 SG CYS A 74 18.396 9.489 11.101 1.00 0.00 S ATOM 0 H CYS A 74 20.882 7.110 11.837 1.00 0.00 H new ATOM 0 HA CYS A 74 19.099 8.518 13.645 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.909 7.141 10.972 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.441 7.424 11.885 1.00 0.00 H new ATOM 1000 N GLY A 75 19.621 5.499 14.143 1.00 0.00 N ATOM 1001 CA GLY A 75 19.234 4.313 14.882 1.00 0.00 C ATOM 1002 C GLY A 75 18.353 3.384 14.070 1.00 0.00 C ATOM 1003 O GLY A 75 17.384 2.827 14.585 1.00 0.00 O ATOM 0 H GLY A 75 20.613 5.554 13.910 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.129 3.777 15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.706 4.610 15.788 1.00 0.00 H new ATOM 1007 N VAL A 76 18.689 3.218 12.794 1.00 0.00 N ATOM 1008 CA VAL A 76 17.922 2.352 11.908 1.00 0.00 C ATOM 1009 C VAL A 76 18.828 1.654 10.901 1.00 0.00 C ATOM 1010 O VAL A 76 19.718 2.272 10.318 1.00 0.00 O ATOM 1011 CB VAL A 76 16.841 3.143 11.147 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.482 4.130 10.183 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.907 2.195 10.411 1.00 0.00 C ATOM 0 H VAL A 76 19.488 3.672 12.352 1.00 0.00 H new ATOM 0 HA VAL A 76 17.439 1.604 12.537 1.00 0.00 H new ATOM 0 HB VAL A 76 16.252 3.708 11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.704 4.680 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.106 4.829 10.740 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.097 3.589 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.150 2.771 9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.479 1.601 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.422 1.533 11.128 1.00 0.00 H new ATOM 1023 N ASN A 77 18.596 0.360 10.700 1.00 0.00 N ATOM 1024 CA ASN A 77 19.392 -0.423 9.763 1.00 0.00 C ATOM 1025 C ASN A 77 18.552 -0.859 8.567 1.00 0.00 C ATOM 1026 O ASN A 77 17.402 -1.272 8.721 1.00 0.00 O ATOM 1027 CB ASN A 77 19.980 -1.651 10.462 1.00 0.00 C ATOM 1028 CG ASN A 77 19.063 -2.195 11.541 1.00 0.00 C ATOM 1029 OD1 ASN A 77 17.872 -2.403 11.313 1.00 0.00 O ATOM 1030 ND2 ASN A 77 19.617 -2.428 12.726 1.00 0.00 N ATOM 0 H ASN A 77 17.863 -0.168 11.174 1.00 0.00 H new ATOM 0 HA ASN A 77 20.206 0.206 9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.170 -2.430 9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.941 -1.389 10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.050 -2.794 13.491 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.609 -2.241 12.871 1.00 0.00 H new ATOM 1037 N ILE A 78 19.134 -0.764 7.376 1.00 0.00 N ATOM 1038 CA ILE A 78 18.439 -1.150 6.154 1.00 0.00 C ATOM 1039 C ILE A 78 19.057 -2.402 5.542 1.00 0.00 C ATOM 1040 O ILE A 78 20.254 -2.661 5.672 1.00 0.00 O ATOM 1041 CB ILE A 78 18.463 -0.017 5.111 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.871 0.570 4.996 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.461 1.066 5.482 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.129 1.715 5.949 1.00 0.00 C ATOM 0 H ILE A 78 20.084 -0.423 7.231 1.00 0.00 H new ATOM 0 HA ILE A 78 17.405 -1.356 6.431 1.00 0.00 H new ATOM 0 HB ILE A 78 18.181 -0.429 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.601 -0.218 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.029 0.916 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.490 1.860 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.459 0.638 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.715 1.477 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.146 2.081 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.423 2.521 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.004 1.370 6.975 1.00 0.00 H new ATOM 1056 N PRO A 79 18.224 -3.199 4.857 1.00 0.00 N ATOM 1057 CA PRO A 79 18.667 -4.437 4.209 1.00 0.00 C ATOM 1058 C PRO A 79 19.562 -4.172 3.003 1.00 0.00 C ATOM 1059 O PRO A 79 20.355 -5.027 2.606 1.00 0.00 O ATOM 1060 CB PRO A 79 17.357 -5.095 3.768 1.00 0.00 C ATOM 1061 CG PRO A 79 16.397 -3.966 3.621 1.00 0.00 C ATOM 1062 CD PRO A 79 16.785 -2.953 4.662 1.00 0.00 C ATOM 0 HA PRO A 79 19.267 -5.055 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.481 -5.634 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.009 -5.817 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.450 -3.537 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.371 -4.304 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.594 -1.935 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.225 -3.092 5.587 1.00 0.00 H new ATOM 1070 N TYR A 80 19.430 -2.984 2.424 1.00 0.00 N ATOM 1071 CA TYR A 80 20.226 -2.607 1.262 1.00 0.00 C ATOM 1072 C TYR A 80 20.983 -1.307 1.518 1.00 0.00 C ATOM 1073 O TYR A 80 21.030 -0.814 2.645 1.00 0.00 O ATOM 1074 CB TYR A 80 19.330 -2.455 0.032 1.00 0.00 C ATOM 1075 CG TYR A 80 18.263 -3.521 -0.076 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.562 -4.858 0.155 1.00 0.00 C ATOM 1077 CD2 TYR A 80 16.954 -3.190 -0.407 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.591 -5.835 0.057 1.00 0.00 C ATOM 1079 CE2 TYR A 80 15.976 -4.161 -0.506 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.299 -5.481 -0.274 1.00 0.00 C ATOM 1081 OH TYR A 80 15.328 -6.451 -0.371 1.00 0.00 O ATOM 0 H TYR A 80 18.779 -2.265 2.740 1.00 0.00 H new ATOM 0 HA TYR A 80 20.952 -3.399 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 80 18.852 -1.476 0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.950 -2.481 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.572 -5.138 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 80 16.697 -2.157 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.841 -6.870 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.964 -3.887 -0.764 1.00 0.00 H new ATOM 0 HH TYR A 80 14.473 -6.036 -0.611 1.00 0.00 H new ATOM 1091 N LYS A 81 21.574 -0.757 0.463 1.00 0.00 N ATOM 1092 CA LYS A 81 22.327 0.486 0.570 1.00 0.00 C ATOM 1093 C LYS A 81 21.518 1.661 0.031 1.00 0.00 C ATOM 1094 O LYS A 81 20.408 1.484 -0.471 1.00 0.00 O ATOM 1095 CB LYS A 81 23.650 0.372 -0.192 1.00 0.00 C ATOM 1096 CG LYS A 81 24.678 -0.504 0.502 1.00 0.00 C ATOM 1097 CD LYS A 81 25.360 -1.445 -0.477 1.00 0.00 C ATOM 1098 CE LYS A 81 26.706 -1.919 0.051 1.00 0.00 C ATOM 1099 NZ LYS A 81 27.777 -0.910 -0.176 1.00 0.00 N ATOM 0 H LYS A 81 21.546 -1.153 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 81 22.536 0.665 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 81 23.454 -0.030 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.068 1.369 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.426 0.124 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 81 24.193 -1.084 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 81 24.718 -2.306 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.500 -0.939 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.624 -2.128 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.979 -2.854 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.678 -1.270 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 27.873 -0.729 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.529 -0.025 0.311 1.00 0.00 H new ATOM 1113 N ILE A 82 22.081 2.860 0.137 1.00 0.00 N ATOM 1114 CA ILE A 82 21.412 4.063 -0.343 1.00 0.00 C ATOM 1115 C ILE A 82 22.301 4.839 -1.308 1.00 0.00 C ATOM 1116 O ILE A 82 23.220 5.545 -0.891 1.00 0.00 O ATOM 1117 CB ILE A 82 21.010 4.986 0.823 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.255 4.194 1.893 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.161 6.142 0.315 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.157 3.597 2.950 1.00 0.00 C ATOM 0 H ILE A 82 22.999 3.024 0.551 1.00 0.00 H new ATOM 0 HA ILE A 82 20.512 3.737 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 82 21.915 5.395 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.529 4.849 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 82 19.693 3.394 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 82 19.885 6.785 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 82 20.730 6.719 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.259 5.751 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.555 3.050 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.867 2.916 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.700 4.394 3.457 1.00 0.00 H new ATOM 1132 N SER A 83 22.021 4.705 -2.600 1.00 0.00 N ATOM 1133 CA SER A 83 22.797 5.393 -3.626 1.00 0.00 C ATOM 1134 C SER A 83 22.211 5.140 -5.011 1.00 0.00 C ATOM 1135 O SER A 83 21.231 4.409 -5.160 1.00 0.00 O ATOM 1136 CB SER A 83 24.256 4.933 -3.585 1.00 0.00 C ATOM 1137 OG SER A 83 24.460 3.811 -4.426 1.00 0.00 O ATOM 0 H SER A 83 21.263 4.127 -2.962 1.00 0.00 H new ATOM 0 HA SER A 83 22.755 6.463 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.907 5.749 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.532 4.679 -2.562 1.00 0.00 H new ATOM 0 HG SER A 83 25.327 3.892 -4.875 1.00 0.00 H new ATOM 1143 N THR A 84 22.818 5.750 -6.024 1.00 0.00 N ATOM 1144 CA THR A 84 22.357 5.594 -7.398 1.00 0.00 C ATOM 1145 C THR A 84 22.859 4.286 -8.001 1.00 0.00 C ATOM 1146 O THR A 84 22.573 3.973 -9.157 1.00 0.00 O ATOM 1147 CB THR A 84 22.821 6.765 -8.284 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.447 6.529 -9.645 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.328 6.949 -8.191 1.00 0.00 C ATOM 0 H THR A 84 23.631 6.357 -5.919 1.00 0.00 H new ATOM 0 HA THR A 84 21.268 5.583 -7.366 1.00 0.00 H new ATOM 0 HB THR A 84 22.337 7.675 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.138 5.604 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.633 7.782 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.606 7.159 -7.158 1.00 0.00 H new ATOM 0 HG23 THR A 84 24.827 6.039 -8.523 1.00 0.00 H new ATOM 1157 N THR A 85 23.608 3.525 -7.210 1.00 0.00 N ATOM 1158 CA THR A 85 24.150 2.251 -7.666 1.00 0.00 C ATOM 1159 C THR A 85 23.676 1.103 -6.781 1.00 0.00 C ATOM 1160 O THR A 85 24.473 0.279 -6.334 1.00 0.00 O ATOM 1161 CB THR A 85 25.690 2.269 -7.681 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.192 2.381 -6.345 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.209 3.425 -8.522 1.00 0.00 C ATOM 0 H THR A 85 23.853 3.769 -6.250 1.00 0.00 H new ATOM 0 HA THR A 85 23.785 2.098 -8.682 1.00 0.00 H new ATOM 0 HB THR A 85 26.038 1.335 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 85 25.892 1.611 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.299 3.417 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 85 25.849 3.320 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 85 25.851 4.367 -8.106 1.00 0.00 H new ATOM 1171 N THR A 86 22.370 1.055 -6.532 1.00 0.00 N ATOM 1172 CA THR A 86 21.790 0.008 -5.701 1.00 0.00 C ATOM 1173 C THR A 86 20.788 -0.828 -6.489 1.00 0.00 C ATOM 1174 O THR A 86 20.028 -0.301 -7.301 1.00 0.00 O ATOM 1175 CB THR A 86 21.087 0.599 -4.464 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.060 1.100 -3.540 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.225 -0.451 -3.779 1.00 0.00 C ATOM 0 H THR A 86 21.695 1.729 -6.894 1.00 0.00 H new ATOM 0 HA THR A 86 22.612 -0.628 -5.374 1.00 0.00 H new ATOM 0 HB THR A 86 20.445 1.416 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 86 21.605 1.475 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.739 -0.011 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.467 -0.810 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.851 -1.285 -3.462 1.00 0.00 H new ATOM 1185 N ASN A 87 20.792 -2.134 -6.244 1.00 0.00 N ATOM 1186 CA ASN A 87 19.883 -3.044 -6.932 1.00 0.00 C ATOM 1187 C ASN A 87 19.085 -3.875 -5.932 1.00 0.00 C ATOM 1188 O ASN A 87 19.540 -4.926 -5.478 1.00 0.00 O ATOM 1189 CB ASN A 87 20.664 -3.966 -7.871 1.00 0.00 C ATOM 1190 CG ASN A 87 19.852 -4.377 -9.084 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.622 -4.389 -9.047 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.540 -4.717 -10.168 1.00 0.00 N ATOM 0 H ASN A 87 21.414 -2.586 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 87 19.186 -2.446 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.572 -3.461 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.974 -4.857 -7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 87 20.049 -5.003 -11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.560 -4.692 -10.153 1.00 0.00 H new ATOM 1199 N CYS A 88 17.892 -3.398 -5.592 1.00 0.00 N ATOM 1200 CA CYS A 88 17.030 -4.096 -4.646 1.00 0.00 C ATOM 1201 C CYS A 88 16.280 -5.234 -5.332 1.00 0.00 C ATOM 1202 O CYS A 88 15.669 -6.074 -4.672 1.00 0.00 O ATOM 1203 CB CYS A 88 16.034 -3.120 -4.017 1.00 0.00 C ATOM 1204 SG CYS A 88 16.790 -1.582 -3.398 1.00 0.00 S ATOM 0 H CYS A 88 17.500 -2.530 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 88 17.659 -4.519 -3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.274 -2.867 -4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.524 -3.619 -3.193 1.00 0.00 H new ATOM 1209 N ASN A 89 16.331 -5.254 -6.660 1.00 0.00 N ATOM 1210 CA ASN A 89 15.657 -6.289 -7.435 1.00 0.00 C ATOM 1211 C ASN A 89 16.480 -7.573 -7.462 1.00 0.00 C ATOM 1212 O ASN A 89 15.934 -8.676 -7.423 1.00 0.00 O ATOM 1213 CB ASN A 89 15.404 -5.802 -8.863 1.00 0.00 C ATOM 1214 CG ASN A 89 14.982 -4.346 -8.912 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.277 -3.862 -8.026 1.00 0.00 O ATOM 1216 ND2 ASN A 89 15.414 -3.639 -9.950 1.00 0.00 N ATOM 0 H ASN A 89 16.832 -4.565 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 89 14.702 -6.502 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.310 -5.935 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.630 -6.417 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.163 -2.654 -10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.996 -4.081 -10.661 1.00 0.00 H new ATOM 1223 N THR A 90 17.800 -7.421 -7.528 1.00 0.00 N ATOM 1224 CA THR A 90 18.699 -8.567 -7.561 1.00 0.00 C ATOM 1225 C THR A 90 19.553 -8.633 -6.299 1.00 0.00 C ATOM 1226 O THR A 90 20.781 -8.678 -6.370 1.00 0.00 O ATOM 1227 CB THR A 90 19.625 -8.520 -8.791 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.027 -7.170 -9.050 1.00 0.00 O ATOM 1229 CG2 THR A 90 18.926 -9.090 -10.016 1.00 0.00 C ATOM 0 H THR A 90 18.269 -6.516 -7.560 1.00 0.00 H new ATOM 0 HA THR A 90 18.073 -9.457 -7.620 1.00 0.00 H new ATOM 0 HB THR A 90 20.505 -9.127 -8.579 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.917 -7.167 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.599 -9.046 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.647 -10.126 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.030 -8.506 -10.228 1.00 0.00 H new ATOM 1237 N VAL A 91 18.894 -8.637 -5.145 1.00 0.00 N ATOM 1238 CA VAL A 91 19.593 -8.699 -3.866 1.00 0.00 C ATOM 1239 C VAL A 91 20.130 -10.101 -3.600 1.00 0.00 C ATOM 1240 O VAL A 91 19.404 -11.088 -3.716 1.00 0.00 O ATOM 1241 CB VAL A 91 18.672 -8.285 -2.703 1.00 0.00 C ATOM 1242 CG1 VAL A 91 19.409 -8.388 -1.376 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.143 -6.875 -2.919 1.00 0.00 C ATOM 0 H VAL A 91 17.878 -8.598 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 91 20.427 -7.999 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 91 17.823 -8.967 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.743 -8.092 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 91 19.735 -9.416 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.278 -7.730 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.494 -6.599 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.979 -6.177 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.577 -6.837 -3.850 1.00 0.00 H new ATOM 1253 N LYS A 92 21.407 -10.181 -3.242 1.00 0.00 N ATOM 1254 CA LYS A 92 22.043 -11.462 -2.958 1.00 0.00 C ATOM 1255 C LYS A 92 21.987 -11.778 -1.466 1.00 0.00 C ATOM 1256 O LYS A 92 22.823 -11.313 -0.691 1.00 0.00 O ATOM 1257 CB LYS A 92 23.498 -11.449 -3.433 1.00 0.00 C ATOM 1258 CG LYS A 92 23.661 -11.803 -4.900 1.00 0.00 C ATOM 1259 CD LYS A 92 24.964 -12.544 -5.153 1.00 0.00 C ATOM 1260 CE LYS A 92 25.266 -12.649 -6.641 1.00 0.00 C ATOM 1261 NZ LYS A 92 25.257 -14.062 -7.110 1.00 0.00 N ATOM 0 H LYS A 92 22.022 -9.374 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 92 21.498 -12.237 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.920 -10.459 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.074 -12.152 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.822 -12.420 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.636 -10.893 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.781 -12.027 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.905 -13.543 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.529 -12.075 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 92 26.240 -12.204 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.467 -14.091 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.978 -14.604 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.320 -14.479 -6.938 1.00 0.00 H new ATOM 1275 N PHE A 93 20.997 -12.571 -1.071 1.00 0.00 N ATOM 1276 CA PHE A 93 20.832 -12.949 0.328 1.00 0.00 C ATOM 1277 C PHE A 93 20.787 -11.715 1.223 1.00 0.00 C ATOM 1278 O PHE A 93 20.184 -11.736 2.296 1.00 0.00 O ATOM 1279 CB PHE A 93 21.973 -13.870 0.767 1.00 0.00 C ATOM 1280 CG PHE A 93 21.681 -15.328 0.556 1.00 0.00 C ATOM 1281 CD1 PHE A 93 21.380 -15.812 -0.707 1.00 0.00 C ATOM 1282 CD2 PHE A 93 21.708 -16.215 1.620 1.00 0.00 C ATOM 1283 CE1 PHE A 93 21.111 -17.154 -0.905 1.00 0.00 C ATOM 1284 CE2 PHE A 93 21.441 -17.557 1.429 1.00 0.00 C ATOM 1285 CZ PHE A 93 21.141 -18.027 0.165 1.00 0.00 C ATOM 0 H PHE A 93 20.297 -12.965 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 93 19.886 -13.481 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 93 22.876 -13.605 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 93 22.182 -13.699 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 93 21.355 -15.133 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 93 21.941 -15.853 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 93 20.878 -17.519 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 93 21.467 -18.238 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 93 20.930 -19.075 0.014 1.00 0.00 H new TER 1295 PHE A 93