USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 40 THR OG1 : rot -63:sc= 0.646 USER MOD Set 1.2: A 78 SER OG : rot 160:sc= 0.705 USER MOD Set 2.1: A 26 THR OG1 : rot -172:sc= 0.733 USER MOD Set 2.2: A 28 SER OG : rot -68:sc= 0.812 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.889) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.852) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -62:sc= 0.821 USER MOD Single : A 29 SER OG : rot 158:sc= 0.867 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.962 (180deg=0.917) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.599 (180deg=0.497) USER MOD Single : A 35 HIS : no HE2:sc= 0.881 K(o=0.88,f=-3!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -155:sc=-0.00427 (180deg=-0.902) USER MOD Single : A 46 GLN : amide:sc= 0.859 K(o=0.86,f=-0.8) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.564 USER MOD Single : A 49 TYR OH : rot 102:sc= 0.879 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.73) USER MOD Single : A 62 ASN : amide:sc= 1.09 K(o=1.1,f=-6!) USER MOD Single : A 64 TYR OH : rot 60:sc= 0.24 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 70 SER OG : rot 58:sc= -0.076 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc=-0.00461 K(o=-0.0046,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.058 20.903 2.952 1.00 0.00 N ATOM 2 CA ALA A 1 -9.251 20.888 4.166 1.00 0.00 C ATOM 3 C ALA A 1 -8.752 19.480 4.475 1.00 0.00 C ATOM 4 O ALA A 1 -9.545 18.550 4.629 1.00 0.00 O ATOM 5 CB ALA A 1 -10.050 21.437 5.338 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.385 21.872 2.764 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.485 20.569 2.150 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.880 20.278 3.074 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.382 21.526 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.435 21.420 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.352 22.462 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.937 20.823 5.493 1.00 0.00 H new ATOM 11 N ALA A 2 -7.435 19.330 4.564 1.00 0.00 N ATOM 12 CA ALA A 2 -6.832 18.039 4.871 1.00 0.00 C ATOM 13 C ALA A 2 -6.686 17.847 6.378 1.00 0.00 C ATOM 14 O ALA A 2 -5.854 18.490 7.018 1.00 0.00 O ATOM 15 CB ALA A 2 -5.480 17.911 4.188 1.00 0.00 C ATOM 0 H ALA A 2 -6.765 20.087 4.428 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.492 17.258 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.042 16.942 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.608 17.995 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.819 18.704 4.538 1.00 0.00 H new ATOM 21 N VAL A 3 -7.501 16.958 6.937 1.00 0.00 N ATOM 22 CA VAL A 3 -7.468 16.688 8.370 1.00 0.00 C ATOM 23 C VAL A 3 -7.294 15.199 8.645 1.00 0.00 C ATOM 24 O VAL A 3 -8.223 14.411 8.471 1.00 0.00 O ATOM 25 CB VAL A 3 -8.748 17.185 9.068 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.695 16.880 10.558 1.00 0.00 C ATOM 27 CG2 VAL A 3 -8.937 18.676 8.838 1.00 0.00 C ATOM 0 H VAL A 3 -8.191 16.413 6.420 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.613 17.230 8.773 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.600 16.659 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.607 17.238 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.606 15.804 10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.834 17.380 11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.846 19.009 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.082 19.218 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.019 18.872 7.769 1.00 0.00 H new ATOM 37 N ARG A 4 -6.096 14.820 9.078 1.00 0.00 N ATOM 38 CA ARG A 4 -5.781 13.416 9.322 1.00 0.00 C ATOM 39 C ARG A 4 -5.825 12.615 8.025 1.00 0.00 C ATOM 40 O ARG A 4 -6.032 11.401 8.039 1.00 0.00 O ATOM 41 CB ARG A 4 -6.675 12.803 10.390 1.00 0.00 C ATOM 42 CG ARG A 4 -6.615 13.488 11.746 1.00 0.00 C ATOM 43 CD ARG A 4 -7.559 12.939 12.752 1.00 0.00 C ATOM 44 NE ARG A 4 -7.623 13.693 13.993 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.425 13.390 15.032 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.258 12.374 14.971 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.370 14.155 16.108 1.00 0.00 N ATOM 0 H ARG A 4 -5.328 15.464 9.267 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.763 13.374 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.705 12.822 10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.400 11.756 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.600 13.407 12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.822 14.550 11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.556 12.901 12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.271 11.913 12.980 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.018 14.509 14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.304 11.802 14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.858 12.158 15.767 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.732 14.950 16.136 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.965 13.950 16.910 1.00 0.00 H new ATOM 61 N LYS A 5 -5.633 13.302 6.904 1.00 0.00 N ATOM 62 CA LYS A 5 -5.540 12.641 5.607 1.00 0.00 C ATOM 63 C LYS A 5 -4.100 12.634 5.102 1.00 0.00 C ATOM 64 O LYS A 5 -3.353 13.591 5.312 1.00 0.00 O ATOM 65 CB LYS A 5 -6.453 13.325 4.589 1.00 0.00 C ATOM 66 CG LYS A 5 -7.938 13.234 4.915 1.00 0.00 C ATOM 67 CD LYS A 5 -8.779 13.963 3.877 1.00 0.00 C ATOM 68 CE LYS A 5 -10.261 13.891 4.215 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.099 14.567 3.187 1.00 0.00 N ATOM 0 H LYS A 5 -5.539 14.317 6.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.866 11.608 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.173 14.376 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.281 12.881 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.239 12.187 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.123 13.661 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.467 15.006 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.607 13.525 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.563 12.847 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.435 14.354 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.101 14.495 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.828 15.569 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.953 14.109 2.265 1.00 0.00 H new ATOM 83 N ILE A 6 -3.718 11.550 4.434 1.00 0.00 N ATOM 84 CA ILE A 6 -2.366 11.416 3.907 1.00 0.00 C ATOM 85 C ILE A 6 -2.382 10.850 2.490 1.00 0.00 C ATOM 86 O ILE A 6 -3.293 10.111 2.117 1.00 0.00 O ATOM 87 CB ILE A 6 -1.497 10.514 4.802 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.126 9.124 4.929 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.314 11.145 6.174 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.268 8.132 5.681 1.00 0.00 C ATOM 0 H ILE A 6 -4.326 10.753 4.245 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.934 12.416 3.890 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.516 10.408 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.087 9.215 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.327 8.734 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.697 10.495 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.826 12.114 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.288 11.280 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.780 7.171 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.316 8.010 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.088 8.499 6.692 1.00 0.00 H new ATOM 102 N HIS A 7 -1.367 11.201 1.708 1.00 0.00 N ATOM 103 CA HIS A 7 -1.172 10.598 0.394 1.00 0.00 C ATOM 104 C HIS A 7 -0.073 9.542 0.439 1.00 0.00 C ATOM 105 O HIS A 7 0.897 9.670 1.187 1.00 0.00 O ATOM 106 CB HIS A 7 -0.832 11.667 -0.650 1.00 0.00 C ATOM 107 CG HIS A 7 -1.952 12.623 -0.919 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.987 12.331 -1.782 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.199 13.864 -0.440 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.823 13.354 -1.822 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.368 14.297 -1.017 1.00 0.00 N ATOM 0 H HIS A 7 -0.667 11.899 1.960 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.106 10.115 0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.039 12.228 -0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.553 11.176 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.591 14.412 0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.725 13.409 -2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.812 15.200 -0.851 1.00 0.00 H new ATOM 118 N VAL A 8 -0.231 8.495 -0.367 1.00 0.00 N ATOM 119 CA VAL A 8 0.771 7.440 -0.453 1.00 0.00 C ATOM 120 C VAL A 8 1.211 7.216 -1.896 1.00 0.00 C ATOM 121 O VAL A 8 0.382 7.095 -2.798 1.00 0.00 O ATOM 122 CB VAL A 8 0.245 6.112 0.124 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.303 5.025 0.011 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.178 6.292 1.574 1.00 0.00 C ATOM 0 H VAL A 8 -1.043 8.356 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 8 1.625 7.769 0.139 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.626 5.807 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.914 4.094 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.562 4.877 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.192 5.324 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.547 5.344 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.677 6.620 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.968 7.041 1.632 1.00 0.00 H new ATOM 134 N THR A 9 2.522 7.161 -2.107 1.00 0.00 N ATOM 135 CA THR A 9 3.074 6.935 -3.436 1.00 0.00 C ATOM 136 C THR A 9 3.244 5.445 -3.715 1.00 0.00 C ATOM 137 O THR A 9 3.983 4.754 -3.014 1.00 0.00 O ATOM 138 CB THR A 9 4.432 7.640 -3.612 1.00 0.00 C ATOM 139 OG1 THR A 9 4.263 9.055 -3.460 1.00 0.00 O ATOM 140 CG2 THR A 9 5.010 7.347 -4.988 1.00 0.00 C ATOM 0 H THR A 9 3.222 7.270 -1.373 1.00 0.00 H new ATOM 0 HA THR A 9 2.364 7.356 -4.147 1.00 0.00 H new ATOM 0 HB THR A 9 5.119 7.266 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.128 9.502 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.969 7.853 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.152 6.272 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.323 7.705 -5.755 1.00 0.00 H new ATOM 148 N VAL A 10 2.556 4.958 -4.741 1.00 0.00 N ATOM 149 CA VAL A 10 2.583 3.538 -5.073 1.00 0.00 C ATOM 150 C VAL A 10 3.580 3.254 -6.190 1.00 0.00 C ATOM 151 O VAL A 10 3.400 3.693 -7.327 1.00 0.00 O ATOM 152 CB VAL A 10 1.192 3.031 -5.498 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.225 1.531 -5.749 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.154 3.369 -4.437 1.00 0.00 C ATOM 0 H VAL A 10 1.973 5.525 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 10 2.892 3.009 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 10 0.913 3.530 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.234 1.190 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.939 1.310 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.526 1.016 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.823 3.003 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.430 2.896 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.110 4.450 -4.302 1.00 0.00 H new ATOM 164 N LYS A 11 4.634 2.515 -5.861 1.00 0.00 N ATOM 165 CA LYS A 11 5.709 2.249 -6.810 1.00 0.00 C ATOM 166 C LYS A 11 5.627 0.820 -7.339 1.00 0.00 C ATOM 167 O LYS A 11 5.725 -0.142 -6.576 1.00 0.00 O ATOM 168 CB LYS A 11 7.072 2.494 -6.161 1.00 0.00 C ATOM 169 CG LYS A 11 7.322 3.938 -5.749 1.00 0.00 C ATOM 170 CD LYS A 11 8.706 4.109 -5.141 1.00 0.00 C ATOM 171 CE LYS A 11 8.964 5.556 -4.748 1.00 0.00 C ATOM 172 NZ LYS A 11 10.351 5.758 -4.247 1.00 0.00 N ATOM 0 H LYS A 11 4.767 2.089 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 11 5.593 2.934 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.161 1.857 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.853 2.187 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.221 4.589 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.565 4.249 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.801 3.469 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.462 3.784 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.792 6.202 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.253 5.855 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.431 6.702 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.571 5.034 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.021 5.679 -5.039 1.00 0.00 H new ATOM 186 N PHE A 12 5.449 0.689 -8.650 1.00 0.00 N ATOM 187 CA PHE A 12 5.668 -0.585 -9.326 1.00 0.00 C ATOM 188 C PHE A 12 6.973 -0.562 -10.119 1.00 0.00 C ATOM 189 O PHE A 12 7.541 0.494 -10.395 1.00 0.00 O ATOM 190 CB PHE A 12 4.494 -0.909 -10.252 1.00 0.00 C ATOM 191 CG PHE A 12 3.182 -1.062 -9.535 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.805 -2.285 -9.002 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.324 0.018 -9.391 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.599 -2.428 -8.344 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.118 -0.122 -8.731 1.00 0.00 C ATOM 196 CZ PHE A 12 0.755 -1.344 -8.207 1.00 0.00 C ATOM 0 H PHE A 12 5.154 1.448 -9.264 1.00 0.00 H new ATOM 0 HA PHE A 12 5.740 -1.363 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.401 -0.118 -10.996 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.712 -1.830 -10.792 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.462 -3.136 -9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.601 0.979 -9.799 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.316 -3.388 -7.937 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.459 0.727 -8.626 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.187 -1.453 -7.691 1.00 0.00 H new ATOM 206 N PRO A 13 7.458 -1.755 -10.491 1.00 0.00 N ATOM 207 CA PRO A 13 8.726 -1.903 -11.214 1.00 0.00 C ATOM 208 C PRO A 13 8.775 -1.048 -12.476 1.00 0.00 C ATOM 209 O PRO A 13 9.827 -0.521 -12.838 1.00 0.00 O ATOM 210 CB PRO A 13 8.793 -3.398 -11.539 1.00 0.00 C ATOM 211 CG PRO A 13 8.017 -4.051 -10.447 1.00 0.00 C ATOM 212 CD PRO A 13 6.884 -3.107 -10.143 1.00 0.00 C ATOM 0 HA PRO A 13 9.577 -1.563 -10.624 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.360 -3.612 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.823 -3.754 -11.562 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.643 -5.026 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.639 -4.215 -9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.000 -3.334 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.586 -3.160 -9.096 1.00 0.00 H new ATOM 220 N SER A 14 7.632 -0.914 -13.140 1.00 0.00 N ATOM 221 CA SER A 14 7.589 -0.334 -14.477 1.00 0.00 C ATOM 222 C SER A 14 6.671 0.884 -14.511 1.00 0.00 C ATOM 223 O SER A 14 6.579 1.579 -15.524 1.00 0.00 O ATOM 224 CB SER A 14 7.131 -1.372 -15.484 1.00 0.00 C ATOM 225 OG SER A 14 5.835 -1.831 -15.215 1.00 0.00 O ATOM 0 H SER A 14 6.723 -1.199 -12.774 1.00 0.00 H new ATOM 0 HA SER A 14 8.595 -0.008 -14.743 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.163 -0.943 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.823 -2.214 -15.476 1.00 0.00 H new ATOM 0 HG SER A 14 5.578 -2.496 -15.887 1.00 0.00 H new ATOM 231 N LYS A 15 5.993 1.138 -13.397 1.00 0.00 N ATOM 232 CA LYS A 15 4.960 2.165 -13.346 1.00 0.00 C ATOM 233 C LYS A 15 4.728 2.634 -11.914 1.00 0.00 C ATOM 234 O LYS A 15 5.109 1.954 -10.960 1.00 0.00 O ATOM 235 CB LYS A 15 3.655 1.644 -13.949 1.00 0.00 C ATOM 236 CG LYS A 15 3.018 0.497 -13.175 1.00 0.00 C ATOM 237 CD LYS A 15 1.769 -0.018 -13.876 1.00 0.00 C ATOM 238 CE LYS A 15 1.082 -1.101 -13.058 1.00 0.00 C ATOM 239 NZ LYS A 15 -0.182 -1.562 -13.696 1.00 0.00 N ATOM 0 H LYS A 15 6.141 0.646 -12.516 1.00 0.00 H new ATOM 0 HA LYS A 15 5.303 3.016 -13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.942 2.467 -14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.847 1.315 -14.970 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.737 -0.315 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.761 0.832 -12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.077 0.808 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.037 -0.414 -14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.757 -1.948 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.867 -0.720 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.781 -2.027 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.688 -0.745 -14.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.039 -2.237 -14.456 1.00 0.00 H new ATOM 253 N GLN A 16 4.101 3.797 -11.771 1.00 0.00 N ATOM 254 CA GLN A 16 3.806 4.347 -10.452 1.00 0.00 C ATOM 255 C GLN A 16 2.442 5.029 -10.442 1.00 0.00 C ATOM 256 O GLN A 16 1.987 5.546 -11.462 1.00 0.00 O ATOM 257 CB GLN A 16 4.888 5.344 -10.030 1.00 0.00 C ATOM 258 CG GLN A 16 6.270 4.733 -9.871 1.00 0.00 C ATOM 259 CD GLN A 16 7.296 5.739 -9.387 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.975 6.905 -9.139 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.540 5.295 -9.253 1.00 0.00 N ATOM 0 H GLN A 16 3.788 4.376 -12.550 1.00 0.00 H new ATOM 0 HA GLN A 16 3.789 3.521 -9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.939 6.143 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.595 5.803 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.218 3.903 -9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.593 4.320 -10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.761 4.323 -9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.275 5.926 -8.934 1.00 0.00 H new ATOM 270 N PHE A 17 1.794 5.028 -9.281 1.00 0.00 N ATOM 271 CA PHE A 17 0.543 5.758 -9.103 1.00 0.00 C ATOM 272 C PHE A 17 0.506 6.447 -7.743 1.00 0.00 C ATOM 273 O PHE A 17 1.194 6.040 -6.807 1.00 0.00 O ATOM 274 CB PHE A 17 -0.652 4.815 -9.251 1.00 0.00 C ATOM 275 CG PHE A 17 -0.741 4.154 -10.597 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.328 4.808 -11.669 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.234 2.878 -10.795 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.411 4.202 -12.908 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.314 2.271 -12.033 1.00 0.00 C ATOM 280 CZ PHE A 17 -0.903 2.931 -13.089 1.00 0.00 C ATOM 0 H PHE A 17 2.114 4.530 -8.450 1.00 0.00 H new ATOM 0 HA PHE A 17 0.484 6.523 -9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.592 4.045 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.569 5.375 -9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.725 5.803 -11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.228 2.353 -9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.873 4.722 -13.734 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.086 1.278 -12.173 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.967 2.455 -14.056 1.00 0.00 H new ATOM 290 N THR A 18 -0.304 7.498 -7.641 1.00 0.00 N ATOM 291 CA THR A 18 -0.555 8.148 -6.361 1.00 0.00 C ATOM 292 C THR A 18 -1.950 7.821 -5.840 1.00 0.00 C ATOM 293 O THR A 18 -2.923 7.834 -6.594 1.00 0.00 O ATOM 294 CB THR A 18 -0.403 9.677 -6.465 1.00 0.00 C ATOM 295 OG1 THR A 18 0.931 10.000 -6.877 1.00 0.00 O ATOM 296 CG2 THR A 18 -0.689 10.334 -5.124 1.00 0.00 C ATOM 0 H THR A 18 -0.797 7.916 -8.430 1.00 0.00 H new ATOM 0 HA THR A 18 0.189 7.764 -5.663 1.00 0.00 H new ATOM 0 HB THR A 18 -1.117 10.049 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.026 10.973 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.577 11.414 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.708 10.100 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.012 9.959 -4.378 1.00 0.00 H new ATOM 304 N VAL A 19 -2.040 7.525 -4.547 1.00 0.00 N ATOM 305 CA VAL A 19 -3.323 7.237 -3.917 1.00 0.00 C ATOM 306 C VAL A 19 -3.522 8.085 -2.665 1.00 0.00 C ATOM 307 O VAL A 19 -2.558 8.569 -2.073 1.00 0.00 O ATOM 308 CB VAL A 19 -3.448 5.748 -3.544 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.370 4.879 -4.790 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.363 5.355 -2.553 1.00 0.00 C ATOM 0 H VAL A 19 -1.240 7.478 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.095 7.483 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.419 5.591 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.460 3.830 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.181 5.143 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.413 5.040 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.466 4.300 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.383 5.527 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.461 5.956 -1.649 1.00 0.00 H new ATOM 320 N GLU A 20 -4.779 8.257 -2.269 1.00 0.00 N ATOM 321 CA GLU A 20 -5.104 9.048 -1.086 1.00 0.00 C ATOM 322 C GLU A 20 -5.802 8.191 -0.035 1.00 0.00 C ATOM 323 O GLU A 20 -6.794 7.520 -0.323 1.00 0.00 O ATOM 324 CB GLU A 20 -5.984 10.242 -1.464 1.00 0.00 C ATOM 325 CG GLU A 20 -6.370 11.133 -0.291 1.00 0.00 C ATOM 326 CD GLU A 20 -7.233 12.280 -0.738 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.556 12.338 -1.901 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.663 13.036 0.100 1.00 0.00 O ATOM 0 H GLU A 20 -5.588 7.861 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.172 9.421 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.459 10.845 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.893 9.872 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.902 10.544 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.470 11.518 0.188 1.00 0.00 H new ATOM 335 N VAL A 21 -5.276 8.217 1.185 1.00 0.00 N ATOM 336 CA VAL A 21 -5.810 7.396 2.266 1.00 0.00 C ATOM 337 C VAL A 21 -5.933 8.198 3.556 1.00 0.00 C ATOM 338 O VAL A 21 -5.453 9.330 3.643 1.00 0.00 O ATOM 339 CB VAL A 21 -4.930 6.158 2.524 1.00 0.00 C ATOM 340 CG1 VAL A 21 -4.880 5.274 1.287 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.527 6.577 2.935 1.00 0.00 C ATOM 0 H VAL A 21 -4.480 8.798 1.450 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.800 7.066 1.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.371 5.586 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.254 4.404 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.888 4.945 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.462 5.838 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.920 5.690 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.077 7.171 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.577 7.171 3.847 1.00 0.00 H new ATOM 351 N ASP A 22 -6.578 7.608 4.555 1.00 0.00 N ATOM 352 CA ASP A 22 -6.713 8.244 5.861 1.00 0.00 C ATOM 353 C ASP A 22 -5.610 7.784 6.807 1.00 0.00 C ATOM 354 O ASP A 22 -5.183 6.630 6.765 1.00 0.00 O ATOM 355 CB ASP A 22 -8.087 7.942 6.466 1.00 0.00 C ATOM 356 CG ASP A 22 -8.479 8.851 7.622 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.809 8.824 8.627 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.343 9.675 7.437 1.00 0.00 O ATOM 0 H ASP A 22 -7.016 6.690 4.486 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.620 9.321 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.841 8.024 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.099 6.909 6.812 1.00 0.00 H new ATOM 363 N ARG A 23 -5.151 8.696 7.658 1.00 0.00 N ATOM 364 CA ARG A 23 -4.053 8.402 8.573 1.00 0.00 C ATOM 365 C ARG A 23 -4.465 7.347 9.596 1.00 0.00 C ATOM 366 O ARG A 23 -3.653 6.521 10.013 1.00 0.00 O ATOM 367 CB ARG A 23 -3.515 9.656 9.248 1.00 0.00 C ATOM 368 CG ARG A 23 -2.346 9.423 10.192 1.00 0.00 C ATOM 369 CD ARG A 23 -1.751 10.665 10.748 1.00 0.00 C ATOM 370 NE ARG A 23 -0.754 10.444 11.783 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.134 11.424 12.469 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.375 12.690 12.209 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.744 11.079 13.395 1.00 0.00 N ATOM 0 H ARG A 23 -5.521 9.643 7.733 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.236 7.994 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.206 10.362 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.325 10.127 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.680 8.794 11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.571 8.869 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.294 11.229 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.550 11.284 11.156 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.507 9.480 12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.040 12.943 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.103 13.419 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.936 10.093 13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.229 11.798 13.931 1.00 0.00 H new ATOM 387 N THR A 24 -5.733 7.381 9.996 1.00 0.00 N ATOM 388 CA THR A 24 -6.215 6.531 11.079 1.00 0.00 C ATOM 389 C THR A 24 -6.696 5.188 10.547 1.00 0.00 C ATOM 390 O THR A 24 -7.025 4.286 11.320 1.00 0.00 O ATOM 391 CB THR A 24 -7.360 7.204 11.858 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.489 7.383 10.994 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.917 8.557 12.395 1.00 0.00 C ATOM 0 H THR A 24 -6.444 7.987 9.587 1.00 0.00 H new ATOM 0 HA THR A 24 -5.374 6.372 11.755 1.00 0.00 H new ATOM 0 HB THR A 24 -7.634 6.564 12.697 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.243 7.975 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.739 9.018 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.066 8.423 13.063 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.628 9.201 11.565 1.00 0.00 H new ATOM 401 N GLU A 25 -6.736 5.057 9.226 1.00 0.00 N ATOM 402 CA GLU A 25 -7.160 3.813 8.593 1.00 0.00 C ATOM 403 C GLU A 25 -6.037 2.780 8.614 1.00 0.00 C ATOM 404 O GLU A 25 -4.860 3.128 8.717 1.00 0.00 O ATOM 405 CB GLU A 25 -7.615 4.070 7.155 1.00 0.00 C ATOM 406 CG GLU A 25 -9.029 4.620 7.031 1.00 0.00 C ATOM 407 CD GLU A 25 -10.054 3.563 7.329 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.691 2.414 7.402 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.180 3.914 7.595 1.00 0.00 O ATOM 0 H GLU A 25 -6.480 5.797 8.572 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.001 3.416 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.923 4.771 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.551 3.137 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.157 5.457 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.184 5.006 6.024 1.00 0.00 H new ATOM 416 N THR A 26 -6.409 1.507 8.519 1.00 0.00 N ATOM 417 CA THR A 26 -5.435 0.424 8.524 1.00 0.00 C ATOM 418 C THR A 26 -4.900 0.159 7.121 1.00 0.00 C ATOM 419 O THR A 26 -5.406 0.703 6.140 1.00 0.00 O ATOM 420 CB THR A 26 -6.038 -0.877 9.087 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.153 -1.277 8.280 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.501 -0.673 10.521 1.00 0.00 C ATOM 0 H THR A 26 -7.379 1.201 8.438 1.00 0.00 H new ATOM 0 HA THR A 26 -4.616 0.741 9.169 1.00 0.00 H new ATOM 0 HB THR A 26 -5.272 -1.652 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.613 -2.030 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.924 -1.602 10.902 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.652 -0.380 11.139 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.259 0.110 10.551 1.00 0.00 H new ATOM 430 N VAL A 27 -3.874 -0.681 7.033 1.00 0.00 N ATOM 431 CA VAL A 27 -3.263 -1.009 5.751 1.00 0.00 C ATOM 432 C VAL A 27 -4.270 -1.671 4.815 1.00 0.00 C ATOM 433 O VAL A 27 -4.189 -1.523 3.596 1.00 0.00 O ATOM 434 CB VAL A 27 -2.048 -1.942 5.925 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.593 -2.481 4.578 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.909 -1.209 6.616 1.00 0.00 C ATOM 0 H VAL A 27 -3.448 -1.147 7.834 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.927 -0.069 5.313 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.347 -2.783 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.735 -3.138 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.406 -3.041 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.312 -1.651 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.060 -1.882 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.612 -0.349 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.238 -0.869 7.598 1.00 0.00 H new ATOM 446 N SER A 28 -5.219 -2.398 5.396 1.00 0.00 N ATOM 447 CA SER A 28 -6.196 -3.146 4.613 1.00 0.00 C ATOM 448 C SER A 28 -6.987 -2.214 3.699 1.00 0.00 C ATOM 449 O SER A 28 -7.438 -2.615 2.626 1.00 0.00 O ATOM 450 CB SER A 28 -7.130 -3.909 5.530 1.00 0.00 C ATOM 451 OG SER A 28 -7.975 -3.056 6.251 1.00 0.00 O ATOM 0 H SER A 28 -5.332 -2.485 6.406 1.00 0.00 H new ATOM 0 HA SER A 28 -5.661 -3.860 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.732 -4.600 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.544 -4.510 6.225 1.00 0.00 H new ATOM 0 HG SER A 28 -7.447 -2.543 6.898 1.00 0.00 H new ATOM 457 N SER A 29 -7.151 -0.969 4.133 1.00 0.00 N ATOM 458 CA SER A 29 -7.771 0.056 3.300 1.00 0.00 C ATOM 459 C SER A 29 -6.835 0.476 2.170 1.00 0.00 C ATOM 460 O SER A 29 -7.269 0.696 1.039 1.00 0.00 O ATOM 461 CB SER A 29 -8.157 1.254 4.144 1.00 0.00 C ATOM 462 OG SER A 29 -9.183 0.952 5.050 1.00 0.00 O ATOM 0 H SER A 29 -6.863 -0.645 5.056 1.00 0.00 H new ATOM 0 HA SER A 29 -8.673 -0.362 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.283 1.608 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.477 2.068 3.493 1.00 0.00 H new ATOM 0 HG SER A 29 -9.165 1.594 5.790 1.00 0.00 H new ATOM 468 N LEU A 30 -5.549 0.586 2.487 1.00 0.00 N ATOM 469 CA LEU A 30 -4.549 0.966 1.494 1.00 0.00 C ATOM 470 C LEU A 30 -4.444 -0.088 0.397 1.00 0.00 C ATOM 471 O LEU A 30 -4.445 0.237 -0.791 1.00 0.00 O ATOM 472 CB LEU A 30 -3.186 1.176 2.167 1.00 0.00 C ATOM 473 CG LEU A 30 -2.020 1.448 1.209 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.284 2.721 0.414 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.727 1.566 2.000 1.00 0.00 C ATOM 0 H LEU A 30 -5.175 0.418 3.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.862 1.903 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.267 2.012 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.951 0.291 2.758 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.926 0.619 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.451 2.906 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.202 2.606 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.389 3.563 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.101 1.759 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.810 2.387 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.544 0.636 2.538 1.00 0.00 H new ATOM 487 N LYS A 31 -4.356 -1.350 0.800 1.00 0.00 N ATOM 488 CA LYS A 31 -4.173 -2.444 -0.144 1.00 0.00 C ATOM 489 C LYS A 31 -5.426 -2.650 -0.988 1.00 0.00 C ATOM 490 O LYS A 31 -5.342 -2.987 -2.169 1.00 0.00 O ATOM 491 CB LYS A 31 -3.815 -3.736 0.593 1.00 0.00 C ATOM 492 CG LYS A 31 -4.982 -4.390 1.321 1.00 0.00 C ATOM 493 CD LYS A 31 -4.547 -5.661 2.033 1.00 0.00 C ATOM 494 CE LYS A 31 -5.733 -6.378 2.661 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.330 -7.645 3.328 1.00 0.00 N ATOM 0 H LYS A 31 -4.409 -1.641 1.776 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.350 -2.180 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.406 -4.447 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.027 -3.522 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.400 -3.690 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.773 -4.623 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.051 -6.325 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.817 -5.416 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.210 -5.721 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.475 -6.593 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.178 -8.151 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.808 -8.241 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.721 -7.430 4.143 1.00 0.00 H new ATOM 509 N ASP A 32 -6.588 -2.443 -0.377 1.00 0.00 N ATOM 510 CA ASP A 32 -7.853 -2.494 -1.100 1.00 0.00 C ATOM 511 C ASP A 32 -7.868 -1.478 -2.239 1.00 0.00 C ATOM 512 O ASP A 32 -8.293 -1.785 -3.353 1.00 0.00 O ATOM 513 CB ASP A 32 -9.026 -2.241 -0.149 1.00 0.00 C ATOM 514 CG ASP A 32 -10.399 -2.378 -0.795 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.714 -3.449 -1.254 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.177 -1.461 -0.685 1.00 0.00 O ATOM 0 H ASP A 32 -6.679 -2.238 0.618 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.959 -3.491 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.959 -2.939 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.932 -1.238 0.266 1.00 0.00 H new ATOM 521 N LYS A 33 -7.402 -0.268 -1.951 1.00 0.00 N ATOM 522 CA LYS A 33 -7.390 0.802 -2.942 1.00 0.00 C ATOM 523 C LYS A 33 -6.363 0.521 -4.033 1.00 0.00 C ATOM 524 O LYS A 33 -6.596 0.810 -5.207 1.00 0.00 O ATOM 525 CB LYS A 33 -7.099 2.147 -2.275 1.00 0.00 C ATOM 526 CG LYS A 33 -8.263 2.719 -1.475 1.00 0.00 C ATOM 527 CD LYS A 33 -7.860 3.989 -0.743 1.00 0.00 C ATOM 528 CE LYS A 33 -9.041 4.600 -0.003 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.616 5.690 0.919 1.00 0.00 N ATOM 0 H LYS A 33 -7.028 -0.003 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.377 0.846 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.241 2.032 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.815 2.866 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.097 2.932 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.612 1.978 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.061 3.766 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.462 4.711 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.757 4.994 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.554 3.824 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.457 6.158 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.048 5.289 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.046 6.385 0.396 1.00 0.00 H new ATOM 543 N ILE A 34 -5.226 -0.044 -3.638 1.00 0.00 N ATOM 544 CA ILE A 34 -4.242 -0.527 -4.598 1.00 0.00 C ATOM 545 C ILE A 34 -4.823 -1.630 -5.475 1.00 0.00 C ATOM 546 O ILE A 34 -4.532 -1.706 -6.669 1.00 0.00 O ATOM 547 CB ILE A 34 -2.978 -1.053 -3.893 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.233 0.093 -3.205 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.070 -1.761 -4.888 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.159 -0.366 -2.245 1.00 0.00 C ATOM 0 H ILE A 34 -4.965 -0.178 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.969 0.322 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.280 -1.772 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.779 0.728 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.952 0.708 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.181 -2.127 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.603 -2.601 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.774 -1.063 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.676 0.502 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.608 -0.976 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.417 -0.956 -2.784 1.00 0.00 H new ATOM 562 N HIS A 35 -5.647 -2.482 -4.876 1.00 0.00 N ATOM 563 CA HIS A 35 -6.323 -3.541 -5.616 1.00 0.00 C ATOM 564 C HIS A 35 -7.324 -2.957 -6.608 1.00 0.00 C ATOM 565 O HIS A 35 -7.473 -3.458 -7.723 1.00 0.00 O ATOM 566 CB HIS A 35 -7.032 -4.506 -4.660 1.00 0.00 C ATOM 567 CG HIS A 35 -7.979 -5.443 -5.343 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.553 -6.442 -6.193 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.329 -5.531 -5.305 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.602 -7.106 -6.647 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.691 -6.574 -6.123 1.00 0.00 N ATOM 0 H HIS A 35 -5.863 -2.460 -3.879 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.566 -4.095 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.283 -5.088 -4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.580 -3.929 -3.915 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.581 -6.638 -6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.997 -4.900 -4.738 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.573 -7.942 -7.330 1.00 0.00 H new ATOM 578 N ILE A 36 -8.009 -1.895 -6.195 1.00 0.00 N ATOM 579 CA ILE A 36 -8.932 -1.192 -7.076 1.00 0.00 C ATOM 580 C ILE A 36 -8.199 -0.589 -8.271 1.00 0.00 C ATOM 581 O ILE A 36 -8.698 -0.616 -9.395 1.00 0.00 O ATOM 582 CB ILE A 36 -9.685 -0.075 -6.329 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.664 -0.676 -5.317 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.416 0.824 -7.314 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.237 0.333 -4.349 1.00 0.00 C ATOM 0 H ILE A 36 -7.942 -1.503 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.654 -1.928 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.959 0.531 -5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.482 -1.153 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.155 -1.458 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.943 1.608 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.697 1.277 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.133 0.233 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.921 -0.168 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.428 0.793 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.776 1.102 -4.902 1.00 0.00 H new ATOM 597 N VAL A 37 -7.012 -0.047 -8.020 1.00 0.00 N ATOM 598 CA VAL A 37 -6.205 0.553 -9.076 1.00 0.00 C ATOM 599 C VAL A 37 -5.684 -0.508 -10.039 1.00 0.00 C ATOM 600 O VAL A 37 -5.657 -0.300 -11.250 1.00 0.00 O ATOM 601 CB VAL A 37 -5.013 1.339 -8.498 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.056 1.746 -9.608 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.499 2.564 -7.739 1.00 0.00 C ATOM 0 H VAL A 37 -6.587 -0.011 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.854 1.242 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.479 0.692 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.220 2.300 -9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.682 0.854 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.580 2.375 -10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.643 3.107 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.056 3.213 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.147 2.251 -6.920 1.00 0.00 H new ATOM 613 N GLU A 38 -5.272 -1.646 -9.490 1.00 0.00 N ATOM 614 CA GLU A 38 -4.665 -2.704 -10.290 1.00 0.00 C ATOM 615 C GLU A 38 -5.694 -3.771 -10.652 1.00 0.00 C ATOM 616 O GLU A 38 -6.870 -3.656 -10.307 1.00 0.00 O ATOM 617 CB GLU A 38 -3.490 -3.336 -9.542 1.00 0.00 C ATOM 618 CG GLU A 38 -2.311 -2.399 -9.316 1.00 0.00 C ATOM 619 CD GLU A 38 -1.748 -1.906 -10.620 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.410 -2.720 -11.444 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.761 -0.717 -10.838 1.00 0.00 O ATOM 0 H GLU A 38 -5.347 -1.859 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.293 -2.258 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.842 -3.697 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.145 -4.206 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.629 -1.550 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.534 -2.918 -8.755 1.00 0.00 H new ATOM 628 N ASN A 39 -5.243 -4.807 -11.350 1.00 0.00 N ATOM 629 CA ASN A 39 -6.102 -5.939 -11.678 1.00 0.00 C ATOM 630 C ASN A 39 -5.600 -7.215 -11.009 1.00 0.00 C ATOM 631 O ASN A 39 -5.894 -8.324 -11.457 1.00 0.00 O ATOM 632 CB ASN A 39 -6.210 -6.140 -13.179 1.00 0.00 C ATOM 633 CG ASN A 39 -6.855 -4.987 -13.898 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.697 -4.275 -13.340 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.526 -4.853 -15.157 1.00 0.00 N ATOM 0 H ASN A 39 -4.288 -4.887 -11.700 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.097 -5.713 -11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.212 -6.300 -13.588 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.784 -7.046 -13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.971 -4.134 -15.727 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.824 -5.468 -15.569 1.00 0.00 H new ATOM 642 N THR A 40 -4.840 -7.051 -9.929 1.00 0.00 N ATOM 643 CA THR A 40 -4.255 -8.186 -9.226 1.00 0.00 C ATOM 644 C THR A 40 -4.921 -8.394 -7.872 1.00 0.00 C ATOM 645 O THR A 40 -5.045 -7.473 -7.066 1.00 0.00 O ATOM 646 CB THR A 40 -2.739 -8.004 -9.021 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.086 -7.942 -10.295 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.167 -9.162 -8.218 1.00 0.00 C ATOM 0 H THR A 40 -4.616 -6.143 -9.523 1.00 0.00 H new ATOM 0 HA THR A 40 -4.423 -9.064 -9.849 1.00 0.00 H new ATOM 0 HB THR A 40 -2.570 -7.077 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.210 -8.791 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.095 -9.017 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.653 -9.204 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.342 -10.096 -8.751 1.00 0.00 H new ATOM 656 N PRO A 41 -5.359 -9.634 -7.611 1.00 0.00 N ATOM 657 CA PRO A 41 -6.012 -9.996 -6.348 1.00 0.00 C ATOM 658 C PRO A 41 -5.175 -9.609 -5.132 1.00 0.00 C ATOM 659 O PRO A 41 -3.948 -9.700 -5.159 1.00 0.00 O ATOM 660 CB PRO A 41 -6.199 -11.512 -6.450 1.00 0.00 C ATOM 661 CG PRO A 41 -6.281 -11.779 -7.915 1.00 0.00 C ATOM 662 CD PRO A 41 -5.328 -10.803 -8.552 1.00 0.00 C ATOM 0 HA PRO A 41 -6.954 -9.466 -6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.365 -12.047 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.104 -11.836 -5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.001 -12.807 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.296 -11.635 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.325 -11.220 -8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.649 -10.522 -9.555 1.00 0.00 H new ATOM 670 N ILE A 42 -5.848 -9.180 -4.070 1.00 0.00 N ATOM 671 CA ILE A 42 -5.165 -8.773 -2.849 1.00 0.00 C ATOM 672 C ILE A 42 -4.330 -9.915 -2.279 1.00 0.00 C ATOM 673 O ILE A 42 -3.234 -9.700 -1.761 1.00 0.00 O ATOM 674 CB ILE A 42 -6.162 -8.293 -1.778 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.803 -6.968 -2.201 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.468 -8.147 -0.433 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.973 -6.553 -1.339 1.00 0.00 C ATOM 0 H ILE A 42 -6.864 -9.105 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.508 -7.945 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.950 -9.040 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.046 -6.184 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.137 -7.051 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.187 -7.807 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.058 -9.110 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.661 -7.419 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.373 -5.606 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.749 -7.317 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.641 -6.436 -0.307 1.00 0.00 H new ATOM 689 N LYS A 43 -4.855 -11.131 -2.377 1.00 0.00 N ATOM 690 CA LYS A 43 -4.180 -12.303 -1.832 1.00 0.00 C ATOM 691 C LYS A 43 -2.873 -12.571 -2.569 1.00 0.00 C ATOM 692 O LYS A 43 -1.982 -13.244 -2.049 1.00 0.00 O ATOM 693 CB LYS A 43 -5.090 -13.531 -1.907 1.00 0.00 C ATOM 694 CG LYS A 43 -6.297 -13.477 -0.979 1.00 0.00 C ATOM 695 CD LYS A 43 -7.163 -14.718 -1.125 1.00 0.00 C ATOM 696 CE LYS A 43 -8.351 -14.680 -0.176 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.221 -15.879 -0.324 1.00 0.00 N ATOM 0 H LYS A 43 -5.747 -11.331 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.949 -12.102 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.440 -13.646 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.503 -14.418 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.960 -13.385 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.890 -12.589 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.518 -14.797 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.564 -15.607 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.993 -14.617 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.937 -13.781 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.018 -15.813 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.584 -15.926 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.669 -16.736 -0.119 1.00 0.00 H new ATOM 711 N ARG A 44 -2.763 -12.039 -3.782 1.00 0.00 N ATOM 712 CA ARG A 44 -1.585 -12.263 -4.611 1.00 0.00 C ATOM 713 C ARG A 44 -0.650 -11.059 -4.563 1.00 0.00 C ATOM 714 O ARG A 44 0.572 -11.207 -4.610 1.00 0.00 O ATOM 715 CB ARG A 44 -1.949 -12.633 -6.041 1.00 0.00 C ATOM 716 CG ARG A 44 -2.776 -13.901 -6.183 1.00 0.00 C ATOM 717 CD ARG A 44 -2.054 -15.147 -5.819 1.00 0.00 C ATOM 718 NE ARG A 44 -2.841 -16.361 -5.955 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.405 -17.596 -5.639 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.178 -17.790 -5.206 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.234 -18.612 -5.799 1.00 0.00 N ATOM 0 H ARG A 44 -3.476 -11.450 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.054 -13.119 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.501 -11.805 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.030 -12.749 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.664 -13.814 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.120 -13.983 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.166 -15.233 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.711 -15.065 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.791 -16.272 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.542 -16.999 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.863 -18.731 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.177 -18.450 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.931 -19.558 -5.568 1.00 0.00 H new ATOM 735 N MET A 45 -1.231 -9.868 -4.471 1.00 0.00 N ATOM 736 CA MET A 45 -0.450 -8.636 -4.460 1.00 0.00 C ATOM 737 C MET A 45 0.335 -8.501 -3.159 1.00 0.00 C ATOM 738 O MET A 45 -0.205 -8.706 -2.073 1.00 0.00 O ATOM 739 CB MET A 45 -1.364 -7.427 -4.655 1.00 0.00 C ATOM 740 CG MET A 45 -0.640 -6.088 -4.687 1.00 0.00 C ATOM 741 SD MET A 45 -0.386 -5.396 -3.040 1.00 0.00 S ATOM 742 CE MET A 45 -2.035 -4.815 -2.659 1.00 0.00 C ATOM 0 H MET A 45 -2.239 -9.729 -4.403 1.00 0.00 H new ATOM 0 HA MET A 45 0.261 -8.676 -5.285 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.915 -7.550 -5.587 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.099 -7.409 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.325 -6.213 -5.177 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.214 -5.383 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.977 -4.006 -1.931 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.512 -4.450 -3.569 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.623 -5.634 -2.245 1.00 0.00 H new ATOM 752 N GLN A 46 1.613 -8.156 -3.279 1.00 0.00 N ATOM 753 CA GLN A 46 2.461 -7.947 -2.111 1.00 0.00 C ATOM 754 C GLN A 46 2.735 -6.464 -1.897 1.00 0.00 C ATOM 755 O GLN A 46 3.055 -5.738 -2.838 1.00 0.00 O ATOM 756 CB GLN A 46 3.784 -8.703 -2.264 1.00 0.00 C ATOM 757 CG GLN A 46 4.676 -8.649 -1.036 1.00 0.00 C ATOM 758 CD GLN A 46 5.936 -9.479 -1.200 1.00 0.00 C ATOM 759 OE1 GLN A 46 6.188 -10.046 -2.266 1.00 0.00 O ATOM 760 NE2 GLN A 46 6.733 -9.559 -0.141 1.00 0.00 N ATOM 0 H GLN A 46 2.084 -8.015 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 46 1.931 -8.333 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.569 -9.746 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.329 -8.292 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.950 -7.613 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.119 -9.006 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.486 -9.074 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.593 -10.106 -0.190 1.00 0.00 H new ATOM 769 N LEU A 47 2.610 -6.018 -0.651 1.00 0.00 N ATOM 770 CA LEU A 47 2.697 -4.597 -0.334 1.00 0.00 C ATOM 771 C LEU A 47 3.847 -4.323 0.629 1.00 0.00 C ATOM 772 O LEU A 47 3.831 -4.773 1.774 1.00 0.00 O ATOM 773 CB LEU A 47 1.372 -4.102 0.260 1.00 0.00 C ATOM 774 CG LEU A 47 1.399 -2.673 0.818 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.775 -1.690 -0.283 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.038 -2.330 1.405 1.00 0.00 C ATOM 0 H LEU A 47 2.448 -6.621 0.156 1.00 0.00 H new ATOM 0 HA LEU A 47 2.892 -4.053 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.603 -4.160 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.074 -4.781 1.059 1.00 0.00 H new ATOM 0 HG LEU A 47 2.148 -2.605 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.792 -0.678 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.761 -1.941 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.041 -1.746 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.058 -1.315 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.722 -2.401 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.198 -3.028 2.208 1.00 0.00 H new ATOM 788 N TYR A 48 4.843 -3.581 0.158 1.00 0.00 N ATOM 789 CA TYR A 48 5.997 -3.236 0.980 1.00 0.00 C ATOM 790 C TYR A 48 6.080 -1.728 1.196 1.00 0.00 C ATOM 791 O TYR A 48 5.800 -0.943 0.291 1.00 0.00 O ATOM 792 CB TYR A 48 7.287 -3.749 0.337 1.00 0.00 C ATOM 793 CG TYR A 48 8.547 -3.245 1.005 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.004 -3.813 2.186 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.278 -2.205 0.451 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.154 -3.356 2.799 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.430 -1.740 1.055 1.00 0.00 C ATOM 798 CZ TYR A 48 10.865 -2.319 2.230 1.00 0.00 C ATOM 799 OH TYR A 48 12.012 -1.860 2.836 1.00 0.00 O ATOM 0 H TYR A 48 4.874 -3.206 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 48 5.875 -3.716 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.285 -4.839 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.301 -3.454 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.451 -4.626 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.941 -1.751 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.495 -3.808 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.987 -0.928 0.611 1.00 0.00 H new ATOM 0 HH TYR A 48 12.517 -1.307 2.204 1.00 0.00 H new ATOM 809 N TYR A 49 6.467 -1.329 2.403 1.00 0.00 N ATOM 810 CA TYR A 49 6.668 0.080 2.717 1.00 0.00 C ATOM 811 C TYR A 49 8.124 0.355 3.078 1.00 0.00 C ATOM 812 O TYR A 49 8.731 -0.380 3.857 1.00 0.00 O ATOM 813 CB TYR A 49 5.748 0.510 3.862 1.00 0.00 C ATOM 814 CG TYR A 49 6.178 1.789 4.544 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.179 2.997 3.862 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.580 1.786 5.872 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.571 4.168 4.481 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.974 2.950 6.502 1.00 0.00 C ATOM 819 CZ TYR A 49 6.967 4.140 5.803 1.00 0.00 C ATOM 820 OH TYR A 49 7.358 5.303 6.425 1.00 0.00 O ATOM 0 H TYR A 49 6.648 -1.963 3.181 1.00 0.00 H new ATOM 0 HA TYR A 49 6.419 0.663 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.737 0.638 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.707 -0.289 4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.868 3.022 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.585 0.857 6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.568 5.099 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.286 2.929 7.536 1.00 0.00 H new ATOM 0 HH TYR A 49 6.631 5.629 6.996 1.00 0.00 H new ATOM 830 N SER A 50 8.677 1.421 2.509 1.00 0.00 N ATOM 831 CA SER A 50 10.009 1.884 2.885 1.00 0.00 C ATOM 832 C SER A 50 10.358 1.439 4.302 1.00 0.00 C ATOM 833 O SER A 50 9.891 2.022 5.280 1.00 0.00 O ATOM 834 CB SER A 50 10.090 3.394 2.767 1.00 0.00 C ATOM 835 OG SER A 50 11.353 3.883 3.128 1.00 0.00 O ATOM 0 H SER A 50 8.224 1.981 1.786 1.00 0.00 H new ATOM 0 HA SER A 50 10.734 1.440 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.866 3.690 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.330 3.848 3.403 1.00 0.00 H new ATOM 0 HG SER A 50 11.364 4.859 3.037 1.00 0.00 H new ATOM 841 N GLY A 51 11.183 0.402 4.404 1.00 0.00 N ATOM 842 CA GLY A 51 11.602 -0.087 5.704 1.00 0.00 C ATOM 843 C GLY A 51 10.795 -1.288 6.159 1.00 0.00 C ATOM 844 O GLY A 51 11.250 -2.427 6.051 1.00 0.00 O ATOM 0 H GLY A 51 11.569 -0.108 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.658 -0.356 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.504 0.712 6.438 1.00 0.00 H new ATOM 848 N ILE A 52 9.596 -1.033 6.671 1.00 0.00 N ATOM 849 CA ILE A 52 8.755 -2.093 7.212 1.00 0.00 C ATOM 850 C ILE A 52 7.712 -2.543 6.194 1.00 0.00 C ATOM 851 O ILE A 52 7.024 -1.720 5.592 1.00 0.00 O ATOM 852 CB ILE A 52 8.042 -1.646 8.502 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.067 -1.239 9.565 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.142 -2.755 9.023 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.459 -0.555 10.769 1.00 0.00 C ATOM 0 H ILE A 52 9.185 -0.101 6.723 1.00 0.00 H new ATOM 0 HA ILE A 52 9.414 -2.929 7.445 1.00 0.00 H new ATOM 0 HB ILE A 52 7.421 -0.780 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.605 -2.127 9.897 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.801 -0.572 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.646 -2.423 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.392 -2.999 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.742 -3.639 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.246 -0.297 11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.945 0.352 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.746 -1.227 11.248 1.00 0.00 H new ATOM 867 N GLU A 53 7.603 -3.855 6.008 1.00 0.00 N ATOM 868 CA GLU A 53 6.607 -4.417 5.102 1.00 0.00 C ATOM 869 C GLU A 53 5.219 -4.394 5.736 1.00 0.00 C ATOM 870 O GLU A 53 5.061 -4.695 6.920 1.00 0.00 O ATOM 871 CB GLU A 53 6.985 -5.846 4.708 1.00 0.00 C ATOM 872 CG GLU A 53 6.095 -6.459 3.636 1.00 0.00 C ATOM 873 CD GLU A 53 6.581 -7.826 3.238 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.519 -8.298 3.834 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.946 -8.445 2.417 1.00 0.00 O ATOM 0 H GLU A 53 8.191 -4.548 6.472 1.00 0.00 H new ATOM 0 HA GLU A 53 6.584 -3.801 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.016 -5.852 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.950 -6.476 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.072 -6.528 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.075 -5.809 2.761 1.00 0.00 H new ATOM 882 N LEU A 54 4.218 -4.036 4.941 1.00 0.00 N ATOM 883 CA LEU A 54 2.884 -3.767 5.466 1.00 0.00 C ATOM 884 C LEU A 54 2.042 -5.038 5.495 1.00 0.00 C ATOM 885 O LEU A 54 1.044 -5.150 4.783 1.00 0.00 O ATOM 886 CB LEU A 54 2.190 -2.685 4.627 1.00 0.00 C ATOM 887 CG LEU A 54 2.947 -1.355 4.524 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.149 -0.364 3.689 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.200 -0.803 5.919 1.00 0.00 C ATOM 0 H LEU A 54 4.304 -3.925 3.931 1.00 0.00 H new ATOM 0 HA LEU A 54 2.987 -3.406 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.031 -3.074 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.205 -2.493 5.053 1.00 0.00 H new ATOM 0 HG LEU A 54 3.906 -1.520 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.695 0.577 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.999 -0.769 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.181 -0.189 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.738 0.142 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.248 -0.640 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.796 -1.515 6.490 1.00 0.00 H new ATOM 901 N ALA A 55 2.452 -5.995 6.322 1.00 0.00 N ATOM 902 CA ALA A 55 1.882 -7.335 6.280 1.00 0.00 C ATOM 903 C ALA A 55 0.672 -7.448 7.200 1.00 0.00 C ATOM 904 O ALA A 55 -0.159 -8.342 7.043 1.00 0.00 O ATOM 905 CB ALA A 55 2.935 -8.367 6.661 1.00 0.00 C ATOM 0 H ALA A 55 3.176 -5.866 7.028 1.00 0.00 H new ATOM 0 HA ALA A 55 1.548 -7.529 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.497 -9.364 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.768 -8.312 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.295 -8.164 7.670 1.00 0.00 H new ATOM 911 N ASP A 56 0.579 -6.536 8.161 1.00 0.00 N ATOM 912 CA ASP A 56 -0.433 -6.626 9.206 1.00 0.00 C ATOM 913 C ASP A 56 -1.691 -5.857 8.814 1.00 0.00 C ATOM 914 O ASP A 56 -1.667 -4.634 8.686 1.00 0.00 O ATOM 915 CB ASP A 56 0.117 -6.098 10.534 1.00 0.00 C ATOM 916 CG ASP A 56 -0.832 -6.257 11.715 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.964 -6.619 11.497 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.379 -6.167 12.831 1.00 0.00 O ATOM 0 H ASP A 56 1.193 -5.725 8.238 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.697 -7.676 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.049 -6.617 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.360 -5.042 10.418 1.00 0.00 H new ATOM 923 N ASP A 57 -2.786 -6.585 8.622 1.00 0.00 N ATOM 924 CA ASP A 57 -4.032 -5.982 8.160 1.00 0.00 C ATOM 925 C ASP A 57 -4.579 -5.006 9.197 1.00 0.00 C ATOM 926 O ASP A 57 -5.153 -3.974 8.849 1.00 0.00 O ATOM 927 CB ASP A 57 -5.070 -7.064 7.852 1.00 0.00 C ATOM 928 CG ASP A 57 -4.781 -7.873 6.595 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.956 -7.455 5.819 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.269 -8.975 6.498 1.00 0.00 O ATOM 0 H ASP A 57 -2.837 -7.592 8.779 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.821 -5.429 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.131 -7.744 8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.048 -6.594 7.750 1.00 0.00 H new ATOM 935 N TYR A 58 -4.400 -5.341 10.470 1.00 0.00 N ATOM 936 CA TYR A 58 -5.106 -4.656 11.546 1.00 0.00 C ATOM 937 C TYR A 58 -4.247 -3.545 12.141 1.00 0.00 C ATOM 938 O TYR A 58 -4.717 -2.748 12.952 1.00 0.00 O ATOM 939 CB TYR A 58 -5.513 -5.648 12.638 1.00 0.00 C ATOM 940 CG TYR A 58 -6.498 -6.699 12.175 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.855 -6.420 12.107 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.070 -7.967 11.809 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.760 -7.374 11.685 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.965 -8.929 11.384 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.311 -8.628 11.325 1.00 0.00 C ATOM 946 OH TYR A 58 -9.209 -9.584 10.904 1.00 0.00 O ATOM 0 H TYR A 58 -3.772 -6.082 10.782 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.006 -4.207 11.125 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.619 -6.144 13.017 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.949 -5.097 13.471 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.210 -5.440 12.389 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.018 -8.206 11.857 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.813 -7.140 11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.614 -9.910 11.100 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.729 -10.411 10.687 1.00 0.00 H new ATOM 956 N ARG A 59 -2.984 -3.500 11.731 1.00 0.00 N ATOM 957 CA ARG A 59 -2.083 -2.429 12.144 1.00 0.00 C ATOM 958 C ARG A 59 -2.330 -1.166 11.326 1.00 0.00 C ATOM 959 O ARG A 59 -2.464 -1.221 10.104 1.00 0.00 O ATOM 960 CB ARG A 59 -0.623 -2.853 12.094 1.00 0.00 C ATOM 961 CG ARG A 59 0.364 -1.805 12.583 1.00 0.00 C ATOM 962 CD ARG A 59 1.761 -2.294 12.714 1.00 0.00 C ATOM 963 NE ARG A 59 2.721 -1.274 13.104 1.00 0.00 N ATOM 964 CZ ARG A 59 4.032 -1.500 13.317 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.536 -2.710 13.216 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.796 -0.475 13.654 1.00 0.00 N ATOM 0 H ARG A 59 -2.561 -4.192 11.113 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.304 -2.203 13.187 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.501 -3.755 12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.371 -3.117 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.350 -0.961 11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.030 -1.432 13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.784 -3.098 13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.073 -2.724 11.762 1.00 0.00 H new ATOM 0 HE ARG A 59 2.378 -0.321 13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.932 -3.495 12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.531 -2.863 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.389 0.456 13.746 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.792 -0.615 13.822 1.00 0.00 H new ATOM 980 N ASN A 60 -2.390 -0.027 12.009 1.00 0.00 N ATOM 981 CA ASN A 60 -2.813 1.220 11.381 1.00 0.00 C ATOM 982 C ASN A 60 -1.685 1.816 10.545 1.00 0.00 C ATOM 983 O ASN A 60 -0.506 1.569 10.805 1.00 0.00 O ATOM 984 CB ASN A 60 -3.295 2.226 12.410 1.00 0.00 C ATOM 985 CG ASN A 60 -4.602 1.855 13.054 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.632 1.724 12.383 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.582 1.765 14.359 1.00 0.00 N ATOM 0 H ASN A 60 -2.151 0.058 12.997 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.650 0.986 10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.536 2.332 13.185 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.400 3.200 11.931 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.444 1.578 14.871 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.704 1.881 14.865 1.00 0.00 H new ATOM 994 N LEU A 61 -2.054 2.602 9.539 1.00 0.00 N ATOM 995 CA LEU A 61 -1.075 3.316 8.728 1.00 0.00 C ATOM 996 C LEU A 61 -0.210 4.229 9.592 1.00 0.00 C ATOM 997 O LEU A 61 1.002 4.309 9.405 1.00 0.00 O ATOM 998 CB LEU A 61 -1.782 4.127 7.633 1.00 0.00 C ATOM 999 CG LEU A 61 -2.484 3.292 6.554 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.315 4.196 5.653 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.445 2.531 5.743 1.00 0.00 C ATOM 0 H LEU A 61 -3.024 2.761 9.266 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.423 2.581 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.519 4.778 8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.049 4.773 7.150 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.153 2.574 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.809 3.594 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.066 4.714 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.665 4.928 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.944 1.938 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.764 3.238 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.881 1.871 6.402 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.845 4.912 10.540 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.121 5.728 11.507 1.00 0.00 C ATOM 1015 C ASN A 62 0.870 4.883 12.300 1.00 0.00 C ATOM 1016 O ASN A 62 2.005 5.298 12.534 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.070 6.449 12.447 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.375 7.280 13.489 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.374 8.211 13.173 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.554 6.897 14.727 1.00 0.00 N ATOM 0 H ASN A 62 -1.858 4.916 10.658 1.00 0.00 H new ATOM 0 HA ASN A 62 0.434 6.480 10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.728 7.092 11.862 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.703 5.714 12.944 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.064 7.373 15.484 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.184 6.122 14.935 1.00 0.00 H new ATOM 1027 N GLU A 63 0.433 3.697 12.708 1.00 0.00 N ATOM 1028 CA GLU A 63 1.260 2.820 13.530 1.00 0.00 C ATOM 1029 C GLU A 63 2.468 2.318 12.743 1.00 0.00 C ATOM 1030 O GLU A 63 3.526 2.050 13.312 1.00 0.00 O ATOM 1031 CB GLU A 63 0.440 1.636 14.048 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.527 1.985 15.170 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.432 0.829 15.493 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.458 -0.109 14.732 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.012 0.832 16.552 1.00 0.00 O ATOM 0 H GLU A 63 -0.488 3.321 12.484 1.00 0.00 H new ATOM 0 HA GLU A 63 1.618 3.397 14.382 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.124 1.209 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.123 0.863 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.034 2.270 16.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.126 2.848 14.881 1.00 0.00 H new ATOM 1042 N TYR A 64 2.302 2.195 11.431 1.00 0.00 N ATOM 1043 CA TYR A 64 3.387 1.750 10.562 1.00 0.00 C ATOM 1044 C TYR A 64 4.364 2.888 10.284 1.00 0.00 C ATOM 1045 O TYR A 64 5.508 2.658 9.895 1.00 0.00 O ATOM 1046 CB TYR A 64 2.829 1.201 9.246 1.00 0.00 C ATOM 1047 CG TYR A 64 2.677 -0.304 9.226 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.785 -1.132 9.332 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.427 -0.891 9.098 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.652 -2.507 9.313 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.283 -2.266 9.080 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.399 -3.071 9.187 1.00 0.00 C ATOM 1053 OH TYR A 64 2.261 -4.439 9.168 1.00 0.00 O ATOM 0 H TYR A 64 1.428 2.397 10.945 1.00 0.00 H new ATOM 0 HA TYR A 64 3.925 0.953 11.076 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.857 1.657 9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.487 1.501 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.768 -0.695 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.552 -0.264 9.011 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.525 -3.138 9.396 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.302 -2.708 8.983 1.00 0.00 H new ATOM 0 HH TYR A 64 2.608 -4.814 10.004 1.00 0.00 H new ATOM 1063 N GLY A 65 3.903 4.119 10.488 1.00 0.00 N ATOM 1064 CA GLY A 65 4.713 5.278 10.163 1.00 0.00 C ATOM 1065 C GLY A 65 4.454 5.791 8.760 1.00 0.00 C ATOM 1066 O GLY A 65 5.336 6.378 8.134 1.00 0.00 O ATOM 0 H GLY A 65 2.983 4.334 10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.509 6.073 10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.767 5.020 10.264 1.00 0.00 H new ATOM 1070 N ILE A 66 3.240 5.570 8.267 1.00 0.00 N ATOM 1071 CA ILE A 66 2.876 5.989 6.919 1.00 0.00 C ATOM 1072 C ILE A 66 2.535 7.475 6.878 1.00 0.00 C ATOM 1073 O ILE A 66 1.526 7.908 7.436 1.00 0.00 O ATOM 1074 CB ILE A 66 1.681 5.183 6.378 1.00 0.00 C ATOM 1075 CG1 ILE A 66 1.981 3.683 6.436 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.352 5.608 4.955 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.171 3.264 5.602 1.00 0.00 C ATOM 0 H ILE A 66 2.492 5.103 8.780 1.00 0.00 H new ATOM 0 HA ILE A 66 3.744 5.800 6.287 1.00 0.00 H new ATOM 0 HB ILE A 66 0.813 5.386 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.158 3.398 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.102 3.133 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.505 5.028 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.099 6.668 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.216 5.433 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.320 2.188 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.990 3.517 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.062 3.785 5.952 1.00 0.00 H new ATOM 1089 N THR A 67 3.383 8.253 6.213 1.00 0.00 N ATOM 1090 CA THR A 67 3.260 9.706 6.228 1.00 0.00 C ATOM 1091 C THR A 67 2.641 10.219 4.933 1.00 0.00 C ATOM 1092 O THR A 67 2.282 9.436 4.055 1.00 0.00 O ATOM 1093 CB THR A 67 4.626 10.386 6.438 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.445 10.187 5.278 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.329 9.805 7.655 1.00 0.00 C ATOM 0 H THR A 67 4.163 7.901 5.657 1.00 0.00 H new ATOM 0 HA THR A 67 2.607 9.958 7.064 1.00 0.00 H new ATOM 0 HB THR A 67 4.464 11.452 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.313 10.622 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.292 10.297 7.788 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.714 9.965 8.541 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.485 8.736 7.509 1.00 0.00 H new ATOM 1103 N GLU A 68 2.520 11.538 4.822 1.00 0.00 N ATOM 1104 CA GLU A 68 1.987 12.156 3.614 1.00 0.00 C ATOM 1105 C GLU A 68 2.912 11.912 2.425 1.00 0.00 C ATOM 1106 O GLU A 68 2.511 12.069 1.270 1.00 0.00 O ATOM 1107 CB GLU A 68 1.782 13.658 3.825 1.00 0.00 C ATOM 1108 CG GLU A 68 0.641 14.010 4.769 1.00 0.00 C ATOM 1109 CD GLU A 68 0.567 15.493 5.005 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.414 16.198 4.514 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.401 15.934 5.580 1.00 0.00 O ATOM 0 H GLU A 68 2.784 12.198 5.553 1.00 0.00 H new ATOM 0 HA GLU A 68 1.022 11.698 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.705 14.087 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.596 14.126 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.302 13.658 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.780 13.495 5.719 1.00 0.00 H new ATOM 1118 N PHE A 69 4.150 11.527 2.715 1.00 0.00 N ATOM 1119 CA PHE A 69 5.148 11.311 1.672 1.00 0.00 C ATOM 1120 C PHE A 69 5.511 9.834 1.565 1.00 0.00 C ATOM 1121 O PHE A 69 6.549 9.478 1.008 1.00 0.00 O ATOM 1122 CB PHE A 69 6.400 12.146 1.948 1.00 0.00 C ATOM 1123 CG PHE A 69 6.140 13.623 2.021 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.004 14.376 0.865 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.029 14.262 3.247 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.767 15.736 0.930 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.791 15.622 3.316 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.660 16.359 2.157 1.00 0.00 C ATOM 0 H PHE A 69 4.487 11.358 3.663 1.00 0.00 H new ATOM 0 HA PHE A 69 4.719 11.628 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.844 11.818 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.133 11.954 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.084 13.894 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.130 13.691 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.666 16.311 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.708 16.108 4.277 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.474 17.422 2.210 1.00 0.00 H new ATOM 1138 N SER A 70 4.647 8.978 2.103 1.00 0.00 N ATOM 1139 CA SER A 70 4.930 7.549 2.172 1.00 0.00 C ATOM 1140 C SER A 70 5.325 7.006 0.801 1.00 0.00 C ATOM 1141 O SER A 70 4.638 7.242 -0.191 1.00 0.00 O ATOM 1142 CB SER A 70 3.726 6.803 2.713 1.00 0.00 C ATOM 1143 OG SER A 70 3.926 5.417 2.723 1.00 0.00 O ATOM 0 H SER A 70 3.746 9.249 2.497 1.00 0.00 H new ATOM 0 HA SER A 70 5.770 7.397 2.850 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.513 7.145 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.852 7.038 2.106 1.00 0.00 H new ATOM 0 HG SER A 70 4.717 5.204 3.262 1.00 0.00 H new ATOM 1149 N GLU A 71 6.436 6.277 0.758 1.00 0.00 N ATOM 1150 CA GLU A 71 6.839 5.572 -0.453 1.00 0.00 C ATOM 1151 C GLU A 71 6.734 4.062 -0.264 1.00 0.00 C ATOM 1152 O GLU A 71 7.459 3.475 0.540 1.00 0.00 O ATOM 1153 CB GLU A 71 8.265 5.959 -0.851 1.00 0.00 C ATOM 1154 CG GLU A 71 8.443 7.427 -1.209 1.00 0.00 C ATOM 1155 CD GLU A 71 9.868 7.732 -1.576 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.731 7.515 -0.759 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.109 8.073 -2.710 1.00 0.00 O ATOM 0 H GLU A 71 7.072 6.159 1.547 1.00 0.00 H new ATOM 0 HA GLU A 71 6.161 5.865 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.937 5.714 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.569 5.351 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.788 7.682 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.142 8.048 -0.365 1.00 0.00 H new ATOM 1164 N ILE A 72 5.828 3.438 -1.010 1.00 0.00 N ATOM 1165 CA ILE A 72 5.600 2.004 -0.892 1.00 0.00 C ATOM 1166 C ILE A 72 5.864 1.296 -2.216 1.00 0.00 C ATOM 1167 O ILE A 72 5.573 1.829 -3.287 1.00 0.00 O ATOM 1168 CB ILE A 72 4.162 1.697 -0.434 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.150 2.280 -1.423 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.921 2.246 0.965 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.732 1.809 -1.194 1.00 0.00 C ATOM 0 H ILE A 72 5.241 3.903 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 72 6.297 1.634 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 72 4.031 0.615 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.177 3.368 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.452 2.015 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.900 2.021 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.621 1.785 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.069 3.326 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.073 2.265 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.689 0.724 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.410 2.098 -0.194 1.00 0.00 H new ATOM 1183 N VAL A 73 6.417 0.089 -2.135 1.00 0.00 N ATOM 1184 CA VAL A 73 6.670 -0.717 -3.323 1.00 0.00 C ATOM 1185 C VAL A 73 5.721 -1.909 -3.390 1.00 0.00 C ATOM 1186 O VAL A 73 5.581 -2.660 -2.425 1.00 0.00 O ATOM 1187 CB VAL A 73 8.122 -1.225 -3.363 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.353 -2.084 -4.598 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.097 -0.058 -3.340 1.00 0.00 C ATOM 0 H VAL A 73 6.698 -0.351 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 73 6.499 -0.071 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 73 8.295 -1.837 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.385 -2.434 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.679 -2.941 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.160 -1.493 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.119 -0.437 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.922 0.580 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.950 0.521 -2.428 1.00 0.00 H new ATOM 1199 N VAL A 74 5.070 -2.077 -4.537 1.00 0.00 N ATOM 1200 CA VAL A 74 4.022 -3.080 -4.682 1.00 0.00 C ATOM 1201 C VAL A 74 4.370 -4.084 -5.775 1.00 0.00 C ATOM 1202 O VAL A 74 4.736 -3.704 -6.888 1.00 0.00 O ATOM 1203 CB VAL A 74 2.661 -2.434 -5.004 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.589 -3.501 -5.164 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.269 -1.446 -3.916 1.00 0.00 C ATOM 0 H VAL A 74 5.250 -1.531 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 74 3.948 -3.599 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 74 2.752 -1.892 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.634 -3.026 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.863 -4.173 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.500 -4.069 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.305 -0.999 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.196 -1.966 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.024 -0.663 -3.846 1.00 0.00 H new ATOM 1215 N PHE A 75 4.253 -5.367 -5.451 1.00 0.00 N ATOM 1216 CA PHE A 75 4.591 -6.428 -6.392 1.00 0.00 C ATOM 1217 C PHE A 75 3.344 -7.197 -6.817 1.00 0.00 C ATOM 1218 O PHE A 75 2.498 -7.537 -5.988 1.00 0.00 O ATOM 1219 CB PHE A 75 5.617 -7.382 -5.779 1.00 0.00 C ATOM 1220 CG PHE A 75 6.913 -6.720 -5.407 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.931 -6.582 -6.340 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.118 -6.234 -4.125 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.124 -5.975 -6.000 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.310 -5.624 -3.782 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.313 -5.495 -4.719 1.00 0.00 C ATOM 0 H PHE A 75 3.926 -5.697 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 75 5.028 -5.966 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.186 -7.842 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.820 -8.186 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.789 -6.954 -7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.337 -6.333 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.909 -5.876 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.456 -5.248 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.245 -5.019 -4.452 1.00 0.00 H new ATOM 1235 N LEU A 76 3.233 -7.467 -8.113 1.00 0.00 N ATOM 1236 CA LEU A 76 2.029 -8.073 -8.669 1.00 0.00 C ATOM 1237 C LEU A 76 2.258 -9.546 -8.991 1.00 0.00 C ATOM 1238 O LEU A 76 3.262 -9.909 -9.605 1.00 0.00 O ATOM 1239 CB LEU A 76 1.582 -7.313 -9.924 1.00 0.00 C ATOM 1240 CG LEU A 76 1.239 -5.833 -9.703 1.00 0.00 C ATOM 1241 CD1 LEU A 76 0.899 -5.174 -11.033 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.075 -5.721 -8.731 1.00 0.00 C ATOM 0 H LEU A 76 3.963 -7.275 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 76 1.239 -8.010 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.374 -7.379 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.708 -7.814 -10.341 1.00 0.00 H new ATOM 0 HG LEU A 76 2.100 -5.318 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.657 -4.124 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.754 -5.248 -11.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.042 -5.678 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.168 -4.670 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.793 -6.237 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.351 -6.175 -7.779 1.00 0.00 H new ATOM 1254 N LYS A 77 1.321 -10.390 -8.577 1.00 0.00 N ATOM 1255 CA LYS A 77 1.396 -11.819 -8.861 1.00 0.00 C ATOM 1256 C LYS A 77 0.102 -12.317 -9.498 1.00 0.00 C ATOM 1257 O LYS A 77 -0.670 -13.042 -8.871 1.00 0.00 O ATOM 1258 CB LYS A 77 1.693 -12.605 -7.583 1.00 0.00 C ATOM 1259 CG LYS A 77 3.055 -12.313 -6.966 1.00 0.00 C ATOM 1260 CD LYS A 77 3.307 -13.183 -5.744 1.00 0.00 C ATOM 1261 CE LYS A 77 4.660 -12.878 -5.116 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.921 -13.723 -3.920 1.00 0.00 N ATOM 0 H LYS A 77 0.499 -10.110 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 77 2.210 -11.980 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.920 -12.384 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.628 -13.671 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.836 -12.487 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.111 -11.262 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.518 -13.020 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.265 -14.234 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.447 -13.040 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.700 -11.826 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.852 -13.484 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.185 -13.551 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.909 -14.726 -4.194 1.00 0.00 H new ATOM 1276 N SER A 78 -0.127 -11.923 -10.746 1.00 0.00 N ATOM 1277 CA SER A 78 -1.224 -12.474 -11.532 1.00 0.00 C ATOM 1278 C SER A 78 -0.982 -12.268 -13.025 1.00 0.00 C ATOM 1279 O SER A 78 -0.170 -11.431 -13.422 1.00 0.00 O ATOM 1280 CB SER A 78 -2.536 -11.840 -11.114 1.00 0.00 C ATOM 1281 OG SER A 78 -2.624 -10.499 -11.512 1.00 0.00 O ATOM 0 H SER A 78 0.433 -11.224 -11.235 1.00 0.00 H new ATOM 0 HA SER A 78 -1.277 -13.546 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.364 -12.401 -11.547 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.640 -11.904 -10.031 1.00 0.00 H new ATOM 0 HG SER A 78 -3.564 -10.222 -11.521 1.00 0.00 H new ATOM 1287 N ILE A 79 -1.690 -13.037 -13.844 1.00 0.00 N ATOM 1288 CA ILE A 79 -1.610 -12.885 -15.291 1.00 0.00 C ATOM 1289 C ILE A 79 -2.942 -12.419 -15.870 1.00 0.00 C ATOM 1290 O ILE A 79 -2.989 -11.487 -16.671 1.00 0.00 O ATOM 1291 CB ILE A 79 -1.194 -14.201 -15.975 1.00 0.00 C ATOM 1292 CG1 ILE A 79 0.196 -14.632 -15.502 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -1.219 -14.044 -17.488 1.00 0.00 C ATOM 1294 CD1 ILE A 79 0.609 -16.002 -15.988 1.00 0.00 C ATOM 0 H ILE A 79 -2.325 -13.771 -13.531 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.849 -12.130 -15.487 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.908 -14.977 -15.698 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.928 -13.900 -15.843 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.218 -14.622 -14.412 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.923 -14.983 -17.956 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.226 -13.780 -17.810 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.526 -13.256 -17.784 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.605 -16.237 -15.612 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.100 -16.746 -15.625 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.621 -16.013 -17.078 1.00 0.00 H new ATOM 1306 N ASN A 80 -4.022 -13.074 -15.456 1.00 0.00 N ATOM 1307 CA ASN A 80 -5.360 -12.695 -15.894 1.00 0.00 C ATOM 1308 C ASN A 80 -5.765 -11.347 -15.302 1.00 0.00 C ATOM 1309 O ASN A 80 -5.211 -10.911 -14.293 1.00 0.00 O ATOM 1310 CB ASN A 80 -6.384 -13.756 -15.537 1.00 0.00 C ATOM 1311 CG ASN A 80 -6.266 -15.011 -16.357 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -5.663 -15.016 -17.436 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.908 -16.052 -15.891 1.00 0.00 N ATOM 0 H ASN A 80 -3.996 -13.869 -14.818 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.334 -12.605 -16.980 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.278 -14.010 -14.482 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.384 -13.341 -15.666 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.926 -16.921 -16.425 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.390 -15.994 -14.994 1.00 0.00 H new ATOM 1320 N ARG A 81 -6.734 -10.696 -15.935 1.00 0.00 N ATOM 1321 CA ARG A 81 -7.182 -9.379 -15.498 1.00 0.00 C ATOM 1322 C ARG A 81 -8.634 -9.428 -15.030 1.00 0.00 C ATOM 1323 O ARG A 81 -9.370 -10.359 -15.353 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.974 -8.316 -16.565 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.524 -8.078 -16.957 1.00 0.00 C ATOM 1326 CD ARG A 81 -5.338 -7.082 -18.044 1.00 0.00 C ATOM 1327 NE ARG A 81 -3.952 -6.849 -18.416 1.00 0.00 N ATOM 1328 CZ ARG A 81 -3.557 -6.072 -19.443 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -4.435 -5.485 -20.226 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -2.260 -5.936 -19.660 1.00 0.00 N ATOM 0 H ARG A 81 -7.225 -11.059 -16.753 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.562 -9.090 -14.649 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.534 -8.601 -17.456 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.398 -7.377 -16.209 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.972 -7.745 -16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.085 -9.025 -17.270 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.886 -7.417 -18.925 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.782 -6.136 -17.733 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.228 -7.306 -17.861 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.433 -5.615 -20.060 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.118 -4.900 -20.999 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.589 -6.413 -19.057 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.930 -5.354 -20.430 1.00 0.00 H new ATOM 1344 N ALA A 82 -9.038 -8.418 -14.267 1.00 0.00 N ATOM 1345 CA ALA A 82 -10.409 -8.330 -13.780 1.00 0.00 C ATOM 1346 C ALA A 82 -10.778 -6.890 -13.435 1.00 0.00 C ATOM 1347 O ALA A 82 -9.927 -6.102 -13.022 1.00 0.00 O ATOM 1348 CB ALA A 82 -10.598 -9.230 -12.567 1.00 0.00 C ATOM 0 H ALA A 82 -8.436 -7.649 -13.973 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.073 -8.667 -14.576 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.627 -9.154 -12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.385 -10.263 -12.843 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.918 -8.919 -11.774 1.00 0.00 H new ATOM 1354 N LYS A 83 -12.051 -6.553 -13.608 1.00 0.00 N ATOM 1355 CA LYS A 83 -12.543 -5.223 -13.269 1.00 0.00 C ATOM 1356 C LYS A 83 -12.359 -4.939 -11.780 1.00 0.00 C ATOM 1357 O LYS A 83 -11.614 -4.037 -11.398 1.00 0.00 O ATOM 1358 CB LYS A 83 -14.016 -5.080 -13.655 1.00 0.00 C ATOM 1359 CG LYS A 83 -14.612 -3.708 -13.369 1.00 0.00 C ATOM 1360 CD LYS A 83 -16.061 -3.627 -13.823 1.00 0.00 C ATOM 1361 CE LYS A 83 -16.661 -2.261 -13.528 1.00 0.00 C ATOM 1362 NZ LYS A 83 -18.083 -2.172 -13.955 1.00 0.00 N ATOM 0 H LYS A 83 -12.761 -7.183 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.961 -4.494 -13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.123 -5.294 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.594 -5.833 -13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.552 -3.499 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -14.026 -2.942 -13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.120 -3.828 -14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.645 -4.398 -13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.590 -2.057 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.081 -1.492 -14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.453 -1.225 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.149 -2.341 -14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.643 -2.888 -13.449 1.00 0.00 H new ATOM 1376 N ASP A 84 -13.042 -5.714 -10.947 1.00 0.00 N ATOM 1377 CA ASP A 84 -12.894 -5.598 -9.500 1.00 0.00 C ATOM 1378 C ASP A 84 -11.922 -6.646 -8.967 1.00 0.00 C ATOM 1379 O ASP A 84 -12.361 -7.617 -8.353 1.00 0.00 O ATOM 1380 CB ASP A 84 -14.252 -5.736 -8.806 1.00 0.00 C ATOM 1381 CG ASP A 84 -15.189 -4.554 -9.018 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -14.730 -3.530 -9.465 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -16.376 -4.732 -8.882 1.00 0.00 O ATOM 1384 OXT ASP A 84 -10.743 -6.519 -9.149 1.00 0.00 O ATOM 0 H ASP A 84 -13.704 -6.430 -11.247 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.489 -4.610 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.741 -6.641 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.088 -5.867 -7.736 1.00 0.00 H new TER 1389 ASP A 84