USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 752 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 51 THR OG1 : rot 88:sc= 0.378 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -138:sc= 0.0197 (180deg=-0.697) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.622 USER MOD Set 2.2: A 55 SER OG : rot -1:sc= -4.81! USER MOD Set 3.1: A 38 GLN : amide:sc= -2.11! C(o=-3.9!,f=-3.2!) USER MOD Set 3.2: A 43 SER OG : rot 90:sc= -1.76! USER MOD Set 4.1: A 12 TYR OH : rot 126:sc= 0.00177 USER MOD Set 4.2: A 90 GLN : amide:sc= -5.12! C(o=-5.1!,f=-5.4!) USER MOD Set 5.1: A 10 THR OG1 : rot -16:sc= 0.456 USER MOD Set 5.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A -4 THR OG1 : rot 68:sc= -0.837 USER MOD Set 6.2: A -5 LYS NZ :NH3+ -151:sc= 0.194 (180deg=0) USER MOD Set 7.1: A -3 THR OG1 : rot -31:sc= 0.119 USER MOD Set 7.2: A -6 SER OG : rot 105:sc= 1.76 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 146:sc= -1.37 (180deg=-2.49!) USER MOD Single : A -6 SER N :NH3+ 148:sc= 0.0482 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.451 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -128:sc= -1.48 USER MOD Single : A 23 THR OG1 : rot 5:sc= 0.693! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 32 THR OG1 : rot 115:sc= 0.175 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.116 (180deg=0.0556) USER MOD Single : A 41 SER OG : rot 60:sc= 0.405 USER MOD Single : A 42 THR OG1 : rot 59:sc= 0.847 USER MOD Single : A 46 HIS : no HE2:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 47 GLN : amide:sc= -3.23 K(o=-3.2,f=-4.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -159:sc= -3.07! USER MOD Single : A 60 SER OG : rot 19:sc= -0.765 USER MOD Single : A 61 SER OG : rot 18:sc= -0.821! USER MOD Single : A 63 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.6!) USER MOD Single : A 65 SER OG : rot 71:sc= -0.687 USER MOD Single : A 69 ASN : amide:sc= -4.44! C(o=-4.4!,f=-8.3!) USER MOD Single : A 70 TYR OH : rot -100:sc= 0.14 USER MOD Single : A 71 SER OG : rot 63:sc= 0.132 USER MOD Single : A 76 ASN : amide:sc= -3.24! C(o=-3.2!,f=-11!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.626 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.4!) USER MOD Single : A 86 THR OG1 : rot 31:sc= 0.613 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -1.51! (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 27.566 -0.588 -0.348 1.00 0.00 N ATOM 2 CA SER A -6 26.953 0.683 0.137 1.00 0.00 C ATOM 3 C SER A -6 27.940 1.437 1.034 1.00 0.00 C ATOM 4 O SER A -6 28.826 0.853 1.623 1.00 0.00 O ATOM 5 CB SER A -6 25.727 0.248 0.938 1.00 0.00 C ATOM 6 OG SER A -6 25.360 1.284 1.840 1.00 0.00 O ATOM 0 H1 SER A -6 26.825 -1.308 -0.465 1.00 0.00 H new ATOM 0 H2 SER A -6 28.034 -0.421 -1.262 1.00 0.00 H new ATOM 0 H3 SER A -6 28.267 -0.921 0.344 1.00 0.00 H new ATOM 0 HA SER A -6 26.690 1.354 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A -6 24.899 0.027 0.265 1.00 0.00 H new ATOM 0 HB3 SER A -6 25.944 -0.668 1.488 1.00 0.00 H new ATOM 0 HG SER A -6 24.565 1.746 1.502 1.00 0.00 H new ATOM 12 N LYS A -5 27.788 2.728 1.147 1.00 0.00 N ATOM 13 CA LYS A -5 28.720 3.515 2.015 1.00 0.00 C ATOM 14 C LYS A -5 27.956 4.142 3.186 1.00 0.00 C ATOM 15 O LYS A -5 28.419 5.072 3.815 1.00 0.00 O ATOM 16 CB LYS A -5 29.349 4.608 1.127 1.00 0.00 C ATOM 17 CG LYS A -5 28.341 5.151 0.104 1.00 0.00 C ATOM 18 CD LYS A -5 27.133 5.748 0.827 1.00 0.00 C ATOM 19 CE LYS A -5 26.521 6.857 -0.035 1.00 0.00 C ATOM 20 NZ LYS A -5 25.639 7.625 0.888 1.00 0.00 N ATOM 0 H LYS A -5 27.063 3.273 0.680 1.00 0.00 H new ATOM 0 HA LYS A -5 29.493 2.874 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A -5 29.709 5.424 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A -5 30.215 4.201 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A -5 28.815 5.910 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A -5 28.018 4.350 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A -5 26.392 4.973 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A -5 27.436 6.149 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A -5 27.294 7.495 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A -5 25.953 6.441 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 24.852 8.041 0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 25.261 6.987 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 26.188 8.383 1.342 1.00 0.00 H new ATOM 34 N THR A -4 26.795 3.629 3.490 1.00 0.00 N ATOM 35 CA THR A -4 26.004 4.180 4.628 1.00 0.00 C ATOM 36 C THR A -4 25.115 3.081 5.215 1.00 0.00 C ATOM 37 O THR A -4 25.074 2.871 6.411 1.00 0.00 O ATOM 38 CB THR A -4 25.144 5.310 4.040 1.00 0.00 C ATOM 39 OG1 THR A -4 24.966 5.113 2.642 1.00 0.00 O ATOM 40 CG2 THR A -4 25.832 6.654 4.282 1.00 0.00 C ATOM 0 H THR A -4 26.359 2.849 2.998 1.00 0.00 H new ATOM 0 HA THR A -4 26.645 4.550 5.428 1.00 0.00 H new ATOM 0 HB THR A -4 24.169 5.304 4.527 1.00 0.00 H new ATOM 0 HG1 THR A -4 24.411 4.319 2.492 1.00 0.00 H new ATOM 0 HG21 THR A -4 25.222 7.455 3.865 1.00 0.00 H new ATOM 0 HG22 THR A -4 25.955 6.812 5.353 1.00 0.00 H new ATOM 0 HG23 THR A -4 26.810 6.654 3.800 1.00 0.00 H new ATOM 48 N THR A -3 24.409 2.375 4.376 1.00 0.00 N ATOM 49 CA THR A -3 23.525 1.285 4.870 1.00 0.00 C ATOM 50 C THR A -3 22.565 1.816 5.932 1.00 0.00 C ATOM 51 O THR A -3 22.897 1.906 7.097 1.00 0.00 O ATOM 52 CB THR A -3 24.467 0.240 5.475 1.00 0.00 C ATOM 53 OG1 THR A -3 25.679 0.179 4.726 1.00 0.00 O ATOM 54 CG2 THR A -3 23.779 -1.122 5.450 1.00 0.00 C ATOM 0 H THR A -3 24.407 2.508 3.365 1.00 0.00 H new ATOM 0 HA THR A -3 22.914 0.866 4.071 1.00 0.00 H new ATOM 0 HB THR A -3 24.704 0.517 6.502 1.00 0.00 H new ATOM 0 HG1 THR A -3 25.496 0.399 3.789 1.00 0.00 H new ATOM 0 HG21 THR A -3 24.443 -1.873 5.879 1.00 0.00 H new ATOM 0 HG22 THR A -3 22.859 -1.076 6.032 1.00 0.00 H new ATOM 0 HG23 THR A -3 23.543 -1.392 4.421 1.00 0.00 H new ATOM 62 N LEU A -2 21.375 2.168 5.538 1.00 0.00 N ATOM 63 CA LEU A -2 20.394 2.689 6.517 1.00 0.00 C ATOM 64 C LEU A -2 19.353 1.606 6.844 1.00 0.00 C ATOM 65 O LEU A -2 19.590 0.755 7.678 1.00 0.00 O ATOM 66 CB LEU A -2 19.788 3.914 5.818 1.00 0.00 C ATOM 67 CG LEU A -2 18.990 4.764 6.813 1.00 0.00 C ATOM 68 CD1 LEU A -2 18.728 6.125 6.183 1.00 0.00 C ATOM 69 CD2 LEU A -2 17.645 4.104 7.131 1.00 0.00 C ATOM 0 H LEU A -2 21.042 2.116 4.575 1.00 0.00 H new ATOM 0 HA LEU A -2 20.829 2.964 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A -2 20.581 4.515 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A -2 19.138 3.591 5.005 1.00 0.00 H new ATOM 0 HG LEU A -2 19.561 4.863 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A -2 18.160 6.744 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A -2 19.678 6.610 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A -2 18.158 5.996 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A -2 17.094 4.723 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A -2 17.066 3.999 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A -2 17.817 3.120 7.567 1.00 0.00 H new ATOM 81 N ALA A -1 18.208 1.636 6.202 1.00 0.00 N ATOM 82 CA ALA A -1 17.123 0.639 6.456 1.00 0.00 C ATOM 83 C ALA A -1 15.806 1.197 5.915 1.00 0.00 C ATOM 84 O ALA A -1 15.623 2.388 5.791 1.00 0.00 O ATOM 85 CB ALA A -1 17.013 0.462 7.978 1.00 0.00 C ATOM 0 H ALA A -1 17.977 2.331 5.493 1.00 0.00 H new ATOM 0 HA ALA A -1 17.338 -0.313 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A -1 16.229 -0.261 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A -1 17.963 0.102 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A -1 16.769 1.419 8.439 1.00 0.00 H new ATOM 91 N ALA A 0 14.893 0.344 5.599 1.00 0.00 N ATOM 92 CA ALA A 0 13.584 0.802 5.067 1.00 0.00 C ATOM 93 C ALA A 0 12.603 1.049 6.214 1.00 0.00 C ATOM 94 O ALA A 0 12.078 0.129 6.809 1.00 0.00 O ATOM 95 CB ALA A 0 13.100 -0.348 4.193 1.00 0.00 C ATOM 0 H ALA A 0 14.992 -0.668 5.685 1.00 0.00 H new ATOM 0 HA ALA A 0 13.665 1.737 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.134 -0.093 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 0 13.821 -0.527 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 0 12.998 -1.248 4.799 1.00 0.00 H new ATOM 101 N ARG A 1 12.354 2.288 6.524 1.00 0.00 N ATOM 102 CA ARG A 1 11.408 2.607 7.629 1.00 0.00 C ATOM 103 C ARG A 1 10.216 3.382 7.076 1.00 0.00 C ATOM 104 O ARG A 1 10.233 3.842 5.953 1.00 0.00 O ATOM 105 CB ARG A 1 12.200 3.484 8.603 1.00 0.00 C ATOM 106 CG ARG A 1 13.540 2.823 8.936 1.00 0.00 C ATOM 107 CD ARG A 1 14.147 3.498 10.167 1.00 0.00 C ATOM 108 NE ARG A 1 15.302 4.278 9.643 1.00 0.00 N ATOM 109 CZ ARG A 1 16.492 4.096 10.145 1.00 0.00 C ATOM 110 NH1 ARG A 1 16.957 2.886 10.302 1.00 0.00 N ATOM 111 NH2 ARG A 1 17.220 5.123 10.491 1.00 0.00 N ATOM 0 H ARG A 1 12.766 3.097 6.059 1.00 0.00 H new ATOM 0 HA ARG A 1 11.024 1.710 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.370 4.467 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.625 3.638 9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.396 1.759 9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.220 2.907 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.423 4.147 10.660 1.00 0.00 H new ATOM 0 HD3 ARG A 1 14.469 2.762 10.904 1.00 0.00 H new ATOM 0 HE ARG A 1 15.163 4.954 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.390 2.083 10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.888 2.744 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.858 6.069 10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 1 18.150 4.980 10.883 1.00 0.00 H new ATOM 125 N ILE A 2 9.185 3.541 7.854 1.00 0.00 N ATOM 126 CA ILE A 2 8.002 4.299 7.368 1.00 0.00 C ATOM 127 C ILE A 2 7.813 5.558 8.214 1.00 0.00 C ATOM 128 O ILE A 2 7.597 5.494 9.408 1.00 0.00 O ATOM 129 CB ILE A 2 6.820 3.346 7.525 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.053 2.116 6.633 1.00 0.00 C ATOM 131 CG2 ILE A 2 5.534 4.068 7.109 1.00 0.00 C ATOM 132 CD1 ILE A 2 5.786 1.258 6.567 1.00 0.00 C ATOM 0 H ILE A 2 9.110 3.179 8.805 1.00 0.00 H new ATOM 0 HA ILE A 2 8.110 4.626 6.334 1.00 0.00 H new ATOM 0 HB ILE A 2 6.726 3.025 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.337 2.435 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.880 1.525 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.686 3.392 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.386 4.942 7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.614 4.384 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.967 0.391 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.520 0.924 7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.968 1.848 6.152 1.00 0.00 H new ATOM 144 N LEU A 3 7.913 6.702 7.600 1.00 0.00 N ATOM 145 CA LEU A 3 7.763 7.971 8.346 1.00 0.00 C ATOM 146 C LEU A 3 6.405 8.606 8.045 1.00 0.00 C ATOM 147 O LEU A 3 5.861 9.347 8.840 1.00 0.00 O ATOM 148 CB LEU A 3 8.927 8.829 7.839 1.00 0.00 C ATOM 149 CG LEU A 3 8.757 9.190 6.357 1.00 0.00 C ATOM 150 CD1 LEU A 3 9.114 10.660 6.152 1.00 0.00 C ATOM 151 CD2 LEU A 3 9.700 8.337 5.506 1.00 0.00 C ATOM 0 H LEU A 3 8.094 6.809 6.602 1.00 0.00 H new ATOM 0 HA LEU A 3 7.791 7.848 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.993 9.742 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.865 8.291 7.978 1.00 0.00 H new ATOM 0 HG LEU A 3 7.724 9.007 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.994 10.920 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.455 11.282 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.148 10.829 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.576 8.596 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.731 8.524 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.466 7.282 5.649 1.00 0.00 H new ATOM 163 N THR A 4 5.857 8.314 6.904 1.00 0.00 N ATOM 164 CA THR A 4 4.528 8.890 6.539 1.00 0.00 C ATOM 165 C THR A 4 3.630 7.806 5.931 1.00 0.00 C ATOM 166 O THR A 4 3.213 7.908 4.799 1.00 0.00 O ATOM 167 CB THR A 4 4.835 9.973 5.503 1.00 0.00 C ATOM 168 OG1 THR A 4 6.085 10.577 5.808 1.00 0.00 O ATOM 169 CG2 THR A 4 3.734 11.034 5.529 1.00 0.00 C ATOM 0 H THR A 4 6.270 7.699 6.202 1.00 0.00 H new ATOM 0 HA THR A 4 4.001 9.291 7.405 1.00 0.00 H new ATOM 0 HB THR A 4 4.880 9.524 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.284 11.270 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.954 11.805 4.790 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.776 10.570 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.686 11.484 6.520 1.00 0.00 H new ATOM 177 N LYS A 5 3.341 6.771 6.676 1.00 0.00 N ATOM 178 CA LYS A 5 2.481 5.667 6.159 1.00 0.00 C ATOM 179 C LYS A 5 1.236 6.211 5.440 1.00 0.00 C ATOM 180 O LYS A 5 0.961 7.394 5.481 1.00 0.00 O ATOM 181 CB LYS A 5 2.073 4.885 7.408 1.00 0.00 C ATOM 182 CG LYS A 5 1.287 5.802 8.348 1.00 0.00 C ATOM 183 CD LYS A 5 -0.046 5.145 8.709 1.00 0.00 C ATOM 184 CE LYS A 5 -0.595 5.774 9.992 1.00 0.00 C ATOM 185 NZ LYS A 5 -0.946 4.622 10.868 1.00 0.00 N ATOM 0 H LYS A 5 3.669 6.643 7.633 1.00 0.00 H new ATOM 0 HA LYS A 5 3.007 5.054 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.465 4.024 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.958 4.499 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.865 5.995 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.111 6.766 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.759 5.273 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.091 4.072 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.147 6.417 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.468 6.393 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.330 4.975 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.659 4.031 10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.094 4.055 11.053 1.00 0.00 H new ATOM 199 N PRO A 6 0.518 5.313 4.806 1.00 0.00 N ATOM 200 CA PRO A 6 -0.710 5.690 4.074 1.00 0.00 C ATOM 201 C PRO A 6 -1.916 5.680 5.016 1.00 0.00 C ATOM 202 O PRO A 6 -1.957 4.940 5.979 1.00 0.00 O ATOM 203 CB PRO A 6 -0.839 4.597 3.014 1.00 0.00 C ATOM 204 CG PRO A 6 -0.090 3.410 3.556 1.00 0.00 C ATOM 205 CD PRO A 6 0.774 3.874 4.712 1.00 0.00 C ATOM 0 HA PRO A 6 -0.667 6.692 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.885 4.350 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.419 4.923 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.788 2.642 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.528 2.964 2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.508 3.362 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.828 3.670 4.527 1.00 0.00 H new ATOM 213 N ARG A 7 -2.900 6.490 4.745 1.00 0.00 N ATOM 214 CA ARG A 7 -4.102 6.520 5.625 1.00 0.00 C ATOM 215 C ARG A 7 -5.134 5.506 5.130 1.00 0.00 C ATOM 216 O ARG A 7 -4.973 4.902 4.087 1.00 0.00 O ATOM 217 CB ARG A 7 -4.646 7.943 5.503 1.00 0.00 C ATOM 218 CG ARG A 7 -3.786 8.891 6.342 1.00 0.00 C ATOM 219 CD ARG A 7 -4.590 10.150 6.672 1.00 0.00 C ATOM 220 NE ARG A 7 -5.238 9.859 7.981 1.00 0.00 N ATOM 221 CZ ARG A 7 -5.101 10.690 8.978 1.00 0.00 C ATOM 222 NH1 ARG A 7 -4.009 10.676 9.693 1.00 0.00 N ATOM 223 NH2 ARG A 7 -6.056 11.533 9.260 1.00 0.00 N ATOM 0 H ARG A 7 -2.925 7.132 3.953 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.869 6.262 6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.641 8.258 4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.681 7.978 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.471 8.396 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.881 9.157 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.944 11.026 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.332 10.358 5.901 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.790 9.009 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.263 10.016 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.901 11.325 10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.909 11.542 8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.949 12.183 10.039 1.00 0.00 H new ATOM 237 N SER A 8 -6.192 5.308 5.865 1.00 0.00 N ATOM 238 CA SER A 8 -7.224 4.330 5.427 1.00 0.00 C ATOM 239 C SER A 8 -8.346 5.046 4.672 1.00 0.00 C ATOM 240 O SER A 8 -8.244 6.212 4.346 1.00 0.00 O ATOM 241 CB SER A 8 -7.753 3.709 6.714 1.00 0.00 C ATOM 242 OG SER A 8 -6.668 3.488 7.604 1.00 0.00 O ATOM 0 H SER A 8 -6.386 5.780 6.748 1.00 0.00 H new ATOM 0 HA SER A 8 -6.819 3.578 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.489 4.368 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.259 2.768 6.497 1.00 0.00 H new ATOM 0 HG SER A 8 -7.002 3.090 8.435 1.00 0.00 H new ATOM 248 N MET A 9 -9.412 4.352 4.386 1.00 0.00 N ATOM 249 CA MET A 9 -10.541 4.979 3.645 1.00 0.00 C ATOM 250 C MET A 9 -11.685 3.980 3.491 1.00 0.00 C ATOM 251 O MET A 9 -11.585 2.835 3.883 1.00 0.00 O ATOM 252 CB MET A 9 -9.975 5.335 2.274 1.00 0.00 C ATOM 253 CG MET A 9 -10.723 6.539 1.703 1.00 0.00 C ATOM 254 SD MET A 9 -9.730 7.303 0.398 1.00 0.00 S ATOM 255 CE MET A 9 -8.564 8.166 1.480 1.00 0.00 C ATOM 0 H MET A 9 -9.550 3.373 4.635 1.00 0.00 H new ATOM 0 HA MET A 9 -10.935 5.852 4.165 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.912 5.561 2.357 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.068 4.484 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.688 6.225 1.304 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.925 7.263 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.581 8.192 1.009 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.912 9.185 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.495 7.641 2.433 1.00 0.00 H new ATOM 265 N THR A 10 -12.769 4.406 2.914 1.00 0.00 N ATOM 266 CA THR A 10 -13.923 3.481 2.724 1.00 0.00 C ATOM 267 C THR A 10 -14.758 3.890 1.512 1.00 0.00 C ATOM 268 O THR A 10 -15.272 4.989 1.438 1.00 0.00 O ATOM 269 CB THR A 10 -14.745 3.600 4.006 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.948 3.209 5.114 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.974 2.695 3.914 1.00 0.00 C ATOM 0 H THR A 10 -12.909 5.354 2.565 1.00 0.00 H new ATOM 0 HA THR A 10 -13.594 2.458 2.541 1.00 0.00 H new ATOM 0 HB THR A 10 -15.068 4.633 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.160 2.721 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.559 2.782 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.585 2.997 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.655 1.661 3.783 1.00 0.00 H new ATOM 279 N VAL A 11 -14.910 3.004 0.574 1.00 0.00 N ATOM 280 CA VAL A 11 -15.725 3.318 -0.626 1.00 0.00 C ATOM 281 C VAL A 11 -16.698 2.171 -0.891 1.00 0.00 C ATOM 282 O VAL A 11 -16.921 1.334 -0.044 1.00 0.00 O ATOM 283 CB VAL A 11 -14.719 3.449 -1.764 1.00 0.00 C ATOM 284 CG1 VAL A 11 -13.717 4.554 -1.436 1.00 0.00 C ATOM 285 CG2 VAL A 11 -13.971 2.131 -1.943 1.00 0.00 C ATOM 0 H VAL A 11 -14.502 2.069 0.587 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.317 4.226 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.249 3.695 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.998 4.647 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.246 5.499 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.191 4.306 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.253 2.228 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.444 1.884 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.681 1.339 -2.178 1.00 0.00 H new ATOM 295 N TYR A 12 -17.271 2.119 -2.058 1.00 0.00 N ATOM 296 CA TYR A 12 -18.218 1.012 -2.375 1.00 0.00 C ATOM 297 C TYR A 12 -17.536 0.015 -3.314 1.00 0.00 C ATOM 298 O TYR A 12 -17.932 -1.127 -3.430 1.00 0.00 O ATOM 299 CB TYR A 12 -19.388 1.686 -3.081 1.00 0.00 C ATOM 300 CG TYR A 12 -20.692 1.141 -2.548 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.226 -0.037 -3.085 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.375 1.818 -1.528 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.442 -0.538 -2.605 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.590 1.314 -1.047 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.125 0.138 -1.587 1.00 0.00 C ATOM 306 OH TYR A 12 -24.323 -0.355 -1.113 1.00 0.00 O ATOM 0 H TYR A 12 -17.126 2.795 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.539 0.465 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.344 2.764 -2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.324 1.514 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.699 -0.559 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -20.965 2.727 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.853 -1.446 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.115 1.833 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.271 -0.462 -0.140 1.00 0.00 H new ATOM 316 N GLU A 13 -16.514 0.452 -3.992 1.00 0.00 N ATOM 317 CA GLU A 13 -15.791 -0.452 -4.934 1.00 0.00 C ATOM 318 C GLU A 13 -14.494 0.223 -5.404 1.00 0.00 C ATOM 319 O GLU A 13 -13.478 0.142 -4.743 1.00 0.00 O ATOM 320 CB GLU A 13 -16.753 -0.721 -6.111 1.00 0.00 C ATOM 321 CG GLU A 13 -17.607 0.519 -6.426 1.00 0.00 C ATOM 322 CD GLU A 13 -18.105 0.439 -7.870 1.00 0.00 C ATOM 323 OE1 GLU A 13 -18.917 -0.428 -8.146 1.00 0.00 O ATOM 324 OE2 GLU A 13 -17.664 1.244 -8.674 1.00 0.00 O ATOM 0 H GLU A 13 -16.144 1.401 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.507 -1.392 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.181 -1.006 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.403 -1.561 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.453 0.576 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.019 1.425 -6.282 1.00 0.00 H new ATOM 331 N GLY A 14 -14.512 0.893 -6.525 1.00 0.00 N ATOM 332 CA GLY A 14 -13.273 1.567 -7.000 1.00 0.00 C ATOM 333 C GLY A 14 -13.548 3.057 -7.201 1.00 0.00 C ATOM 334 O GLY A 14 -13.262 3.616 -8.242 1.00 0.00 O ATOM 0 H GLY A 14 -15.327 1.002 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.471 1.429 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.938 1.119 -7.935 1.00 0.00 H new ATOM 338 N GLU A 15 -14.095 3.709 -6.212 1.00 0.00 N ATOM 339 CA GLU A 15 -14.379 5.164 -6.357 1.00 0.00 C ATOM 340 C GLU A 15 -13.104 5.910 -6.746 1.00 0.00 C ATOM 341 O GLU A 15 -12.891 6.244 -7.894 1.00 0.00 O ATOM 342 CB GLU A 15 -14.873 5.618 -4.982 1.00 0.00 C ATOM 343 CG GLU A 15 -16.323 6.094 -5.092 1.00 0.00 C ATOM 344 CD GLU A 15 -16.345 7.543 -5.586 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.379 7.950 -6.210 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.327 8.219 -5.332 1.00 0.00 O ATOM 0 H GLU A 15 -14.356 3.300 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.116 5.365 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.802 4.797 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.242 6.423 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.876 5.455 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.816 6.021 -4.123 1.00 0.00 H new ATOM 353 N SER A 16 -12.252 6.174 -5.796 1.00 0.00 N ATOM 354 CA SER A 16 -10.979 6.901 -6.100 1.00 0.00 C ATOM 355 C SER A 16 -10.212 7.175 -4.807 1.00 0.00 C ATOM 356 O SER A 16 -9.942 8.309 -4.464 1.00 0.00 O ATOM 357 CB SER A 16 -11.399 8.222 -6.752 1.00 0.00 C ATOM 358 OG SER A 16 -12.685 8.595 -6.275 1.00 0.00 O ATOM 0 H SER A 16 -12.379 5.918 -4.817 1.00 0.00 H new ATOM 0 HA SER A 16 -10.328 6.319 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.673 9.001 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.418 8.115 -7.837 1.00 0.00 H new ATOM 0 HG SER A 16 -12.955 9.441 -6.690 1.00 0.00 H new ATOM 364 N ALA A 17 -9.859 6.147 -4.086 1.00 0.00 N ATOM 365 CA ALA A 17 -9.107 6.353 -2.815 1.00 0.00 C ATOM 366 C ALA A 17 -7.601 6.245 -3.072 1.00 0.00 C ATOM 367 O ALA A 17 -7.083 5.175 -3.314 1.00 0.00 O ATOM 368 CB ALA A 17 -9.578 5.227 -1.896 1.00 0.00 C ATOM 0 H ALA A 17 -10.058 5.175 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.284 7.336 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.070 5.306 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.655 5.306 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.345 4.264 -2.351 1.00 0.00 H new ATOM 374 N ARG A 18 -6.896 7.345 -3.027 1.00 0.00 N ATOM 375 CA ARG A 18 -5.424 7.299 -3.277 1.00 0.00 C ATOM 376 C ARG A 18 -4.653 7.295 -1.952 1.00 0.00 C ATOM 377 O ARG A 18 -5.109 7.819 -0.955 1.00 0.00 O ATOM 378 CB ARG A 18 -5.117 8.570 -4.071 1.00 0.00 C ATOM 379 CG ARG A 18 -5.552 9.796 -3.266 1.00 0.00 C ATOM 380 CD ARG A 18 -4.622 10.972 -3.581 1.00 0.00 C ATOM 381 NE ARG A 18 -5.498 11.999 -4.210 1.00 0.00 N ATOM 382 CZ ARG A 18 -4.976 12.931 -4.960 1.00 0.00 C ATOM 383 NH1 ARG A 18 -4.387 12.613 -6.080 1.00 0.00 N ATOM 384 NH2 ARG A 18 -5.043 14.181 -4.591 1.00 0.00 N ATOM 0 H ARG A 18 -7.274 8.271 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.128 6.398 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.051 8.626 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.638 8.548 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.582 10.058 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.524 9.572 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.151 11.356 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.820 10.671 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.506 11.974 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.335 11.636 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.979 13.341 -6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.504 14.430 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.635 14.909 -5.178 1.00 0.00 H new ATOM 398 N PHE A 19 -3.485 6.705 -1.937 1.00 0.00 N ATOM 399 CA PHE A 19 -2.680 6.660 -0.677 1.00 0.00 C ATOM 400 C PHE A 19 -1.200 6.886 -0.967 1.00 0.00 C ATOM 401 O PHE A 19 -0.735 6.706 -2.073 1.00 0.00 O ATOM 402 CB PHE A 19 -2.862 5.247 -0.124 1.00 0.00 C ATOM 403 CG PHE A 19 -4.324 4.963 0.052 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.108 5.826 0.815 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.893 3.843 -0.557 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.471 5.573 0.972 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.255 3.586 -0.401 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.048 4.453 0.363 1.00 0.00 C ATOM 0 H PHE A 19 -3.053 6.252 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.005 7.434 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.419 4.519 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.344 5.149 0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.661 6.690 1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.280 3.178 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.080 6.241 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.698 2.719 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.103 4.257 0.482 1.00 0.00 H new ATOM 418 N SER A 20 -0.451 7.250 0.031 1.00 0.00 N ATOM 419 CA SER A 20 1.006 7.446 -0.175 1.00 0.00 C ATOM 420 C SER A 20 1.753 7.199 1.126 1.00 0.00 C ATOM 421 O SER A 20 1.495 7.820 2.137 1.00 0.00 O ATOM 422 CB SER A 20 1.181 8.887 -0.632 1.00 0.00 C ATOM 423 OG SER A 20 2.441 9.379 -0.184 1.00 0.00 O ATOM 0 H SER A 20 -0.784 7.420 0.980 1.00 0.00 H new ATOM 0 HA SER A 20 1.405 6.751 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.122 8.945 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.376 9.505 -0.236 1.00 0.00 H new ATOM 0 HG SER A 20 2.554 10.307 -0.480 1.00 0.00 H new ATOM 429 N CYS A 21 2.694 6.318 1.094 1.00 0.00 N ATOM 430 CA CYS A 21 3.491 6.036 2.307 1.00 0.00 C ATOM 431 C CYS A 21 4.953 6.339 2.012 1.00 0.00 C ATOM 432 O CYS A 21 5.552 5.756 1.136 1.00 0.00 O ATOM 433 CB CYS A 21 3.280 4.556 2.600 1.00 0.00 C ATOM 434 SG CYS A 21 3.766 3.568 1.167 1.00 0.00 S ATOM 0 H CYS A 21 2.951 5.773 0.271 1.00 0.00 H new ATOM 0 HA CYS A 21 3.196 6.642 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.866 4.262 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.234 4.370 2.842 1.00 0.00 H new ATOM 0 HG CYS A 21 2.796 2.766 0.844 1.00 0.00 H new ATOM 440 N ASP A 22 5.532 7.259 2.717 1.00 0.00 N ATOM 441 CA ASP A 22 6.948 7.600 2.447 1.00 0.00 C ATOM 442 C ASP A 22 7.858 6.773 3.340 1.00 0.00 C ATOM 443 O ASP A 22 7.760 6.816 4.545 1.00 0.00 O ATOM 444 CB ASP A 22 7.075 9.080 2.781 1.00 0.00 C ATOM 445 CG ASP A 22 6.131 9.896 1.890 1.00 0.00 C ATOM 446 OD1 ASP A 22 4.969 9.532 1.797 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.587 10.870 1.317 1.00 0.00 O ATOM 0 H ASP A 22 5.088 7.789 3.467 1.00 0.00 H new ATOM 0 HA ASP A 22 7.233 7.394 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.834 9.247 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.104 9.409 2.634 1.00 0.00 H new ATOM 452 N THR A 23 8.739 6.023 2.758 1.00 0.00 N ATOM 453 CA THR A 23 9.663 5.201 3.576 1.00 0.00 C ATOM 454 C THR A 23 11.109 5.524 3.212 1.00 0.00 C ATOM 455 O THR A 23 11.500 5.482 2.063 1.00 0.00 O ATOM 456 CB THR A 23 9.348 3.748 3.239 1.00 0.00 C ATOM 457 OG1 THR A 23 9.774 3.469 1.912 1.00 0.00 O ATOM 458 CG2 THR A 23 7.843 3.496 3.359 1.00 0.00 C ATOM 0 H THR A 23 8.861 5.942 1.749 1.00 0.00 H new ATOM 0 HA THR A 23 9.539 5.398 4.641 1.00 0.00 H new ATOM 0 HB THR A 23 9.873 3.096 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.245 4.248 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.628 2.455 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.519 3.705 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.309 4.148 2.668 1.00 0.00 H new ATOM 466 N ASP A 24 11.901 5.839 4.189 1.00 0.00 N ATOM 467 CA ASP A 24 13.336 6.163 3.915 1.00 0.00 C ATOM 468 C ASP A 24 14.162 4.878 3.879 1.00 0.00 C ATOM 469 O ASP A 24 13.698 3.832 4.272 1.00 0.00 O ATOM 470 CB ASP A 24 13.779 7.045 5.082 1.00 0.00 C ATOM 471 CG ASP A 24 13.813 8.508 4.636 1.00 0.00 C ATOM 472 OD1 ASP A 24 14.582 8.816 3.742 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.068 9.294 5.198 1.00 0.00 O ATOM 0 H ASP A 24 11.624 5.889 5.170 1.00 0.00 H new ATOM 0 HA ASP A 24 13.470 6.662 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.094 6.926 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.765 6.737 5.430 1.00 0.00 H new ATOM 478 N GLY A 25 15.381 4.942 3.421 1.00 0.00 N ATOM 479 CA GLY A 25 16.218 3.707 3.382 1.00 0.00 C ATOM 480 C GLY A 25 17.285 3.809 2.291 1.00 0.00 C ATOM 481 O GLY A 25 17.107 4.471 1.289 1.00 0.00 O ATOM 0 H GLY A 25 15.833 5.788 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.695 3.555 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.585 2.839 3.198 1.00 0.00 H new ATOM 485 N GLU A 26 18.396 3.148 2.484 1.00 0.00 N ATOM 486 CA GLU A 26 19.491 3.185 1.471 1.00 0.00 C ATOM 487 C GLU A 26 20.028 1.757 1.231 1.00 0.00 C ATOM 488 O GLU A 26 20.315 1.060 2.183 1.00 0.00 O ATOM 489 CB GLU A 26 20.575 4.055 2.107 1.00 0.00 C ATOM 490 CG GLU A 26 21.617 4.431 1.054 1.00 0.00 C ATOM 491 CD GLU A 26 22.501 3.220 0.746 1.00 0.00 C ATOM 492 OE1 GLU A 26 23.344 2.905 1.568 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.321 2.631 -0.306 1.00 0.00 O ATOM 0 H GLU A 26 18.593 2.579 3.307 1.00 0.00 H new ATOM 0 HA GLU A 26 19.160 3.575 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.130 4.956 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.051 3.518 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.122 4.773 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.229 5.258 1.414 1.00 0.00 H new ATOM 500 N PRO A 27 20.156 1.346 -0.021 1.00 0.00 N ATOM 501 CA PRO A 27 19.805 2.202 -1.190 1.00 0.00 C ATOM 502 C PRO A 27 18.290 2.388 -1.273 1.00 0.00 C ATOM 503 O PRO A 27 17.575 2.109 -0.330 1.00 0.00 O ATOM 504 CB PRO A 27 20.324 1.411 -2.388 1.00 0.00 C ATOM 505 CG PRO A 27 20.354 -0.008 -1.926 1.00 0.00 C ATOM 506 CD PRO A 27 20.628 0.022 -0.445 1.00 0.00 C ATOM 0 HA PRO A 27 20.233 3.203 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.672 1.531 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.316 1.751 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.405 -0.502 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.127 -0.569 -2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.098 -0.776 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.689 -0.110 -0.233 1.00 0.00 H new ATOM 514 N VAL A 28 17.804 2.873 -2.386 1.00 0.00 N ATOM 515 CA VAL A 28 16.333 3.104 -2.549 1.00 0.00 C ATOM 516 C VAL A 28 15.520 1.945 -1.942 1.00 0.00 C ATOM 517 O VAL A 28 15.740 0.797 -2.272 1.00 0.00 O ATOM 518 CB VAL A 28 16.108 3.193 -4.056 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.613 3.352 -4.338 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.855 4.410 -4.604 1.00 0.00 C ATOM 0 H VAL A 28 18.368 3.122 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 28 16.006 4.007 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 28 16.476 2.286 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.450 3.416 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.074 2.492 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.248 4.262 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.698 4.479 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.480 5.314 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.920 4.306 -4.399 1.00 0.00 H new ATOM 530 N PRO A 29 14.620 2.288 -1.050 1.00 0.00 N ATOM 531 CA PRO A 29 13.793 1.261 -0.368 1.00 0.00 C ATOM 532 C PRO A 29 12.752 0.672 -1.326 1.00 0.00 C ATOM 533 O PRO A 29 12.576 1.133 -2.436 1.00 0.00 O ATOM 534 CB PRO A 29 13.099 2.048 0.743 1.00 0.00 C ATOM 535 CG PRO A 29 13.057 3.451 0.245 1.00 0.00 C ATOM 536 CD PRO A 29 14.288 3.645 -0.591 1.00 0.00 C ATOM 0 HA PRO A 29 14.382 0.420 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.096 1.665 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.649 1.977 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.157 3.626 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.037 4.157 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.100 4.316 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.101 4.081 -0.010 1.00 0.00 H new ATOM 544 N THR A 30 12.052 -0.336 -0.887 1.00 0.00 N ATOM 545 CA THR A 30 11.005 -0.965 -1.739 1.00 0.00 C ATOM 546 C THR A 30 9.669 -0.944 -0.992 1.00 0.00 C ATOM 547 O THR A 30 9.581 -0.465 0.120 1.00 0.00 O ATOM 548 CB THR A 30 11.477 -2.403 -1.959 1.00 0.00 C ATOM 549 OG1 THR A 30 10.488 -3.119 -2.687 1.00 0.00 O ATOM 550 CG2 THR A 30 11.707 -3.080 -0.608 1.00 0.00 C ATOM 0 H THR A 30 12.162 -0.756 0.036 1.00 0.00 H new ATOM 0 HA THR A 30 10.861 -0.444 -2.686 1.00 0.00 H new ATOM 0 HB THR A 30 12.410 -2.396 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.790 -4.040 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.043 -4.105 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.466 -2.531 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.776 -3.088 -0.042 1.00 0.00 H new ATOM 558 N VAL A 31 8.626 -1.449 -1.589 1.00 0.00 N ATOM 559 CA VAL A 31 7.304 -1.437 -0.898 1.00 0.00 C ATOM 560 C VAL A 31 6.449 -2.628 -1.356 1.00 0.00 C ATOM 561 O VAL A 31 6.465 -3.001 -2.512 1.00 0.00 O ATOM 562 CB VAL A 31 6.679 -0.094 -1.311 1.00 0.00 C ATOM 563 CG1 VAL A 31 6.103 -0.195 -2.721 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.559 0.293 -0.346 1.00 0.00 C ATOM 0 H VAL A 31 8.630 -1.867 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 31 7.385 -1.532 0.185 1.00 0.00 H new ATOM 0 HB VAL A 31 7.459 0.667 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.663 0.761 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.898 -0.450 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.336 -0.969 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.128 1.246 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.786 -0.476 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.963 0.385 0.662 1.00 0.00 H new ATOM 574 N THR A 32 5.693 -3.217 -0.471 1.00 0.00 N ATOM 575 CA THR A 32 4.837 -4.358 -0.883 1.00 0.00 C ATOM 576 C THR A 32 3.472 -4.216 -0.225 1.00 0.00 C ATOM 577 O THR A 32 3.332 -4.348 0.962 1.00 0.00 O ATOM 578 CB THR A 32 5.554 -5.604 -0.379 1.00 0.00 C ATOM 579 OG1 THR A 32 6.902 -5.592 -0.832 1.00 0.00 O ATOM 580 CG2 THR A 32 4.845 -6.852 -0.908 1.00 0.00 C ATOM 0 H THR A 32 5.633 -2.957 0.514 1.00 0.00 H new ATOM 0 HA THR A 32 4.681 -4.403 -1.961 1.00 0.00 H new ATOM 0 HB THR A 32 5.539 -5.616 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.505 -5.512 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.359 -7.743 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.813 -6.861 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.857 -6.843 -1.998 1.00 0.00 H new ATOM 588 N TRP A 33 2.470 -3.939 -0.988 1.00 0.00 N ATOM 589 CA TRP A 33 1.111 -3.775 -0.399 1.00 0.00 C ATOM 590 C TRP A 33 0.409 -5.131 -0.339 1.00 0.00 C ATOM 591 O TRP A 33 0.120 -5.720 -1.349 1.00 0.00 O ATOM 592 CB TRP A 33 0.388 -2.843 -1.362 1.00 0.00 C ATOM 593 CG TRP A 33 1.135 -1.559 -1.482 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.169 -1.348 -2.313 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.921 -0.318 -0.768 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.612 -0.042 -2.163 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.870 0.632 -1.211 1.00 0.00 C ATOM 598 CE3 TRP A 33 0.003 0.063 0.211 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.901 1.926 -0.693 1.00 0.00 C ATOM 600 CZ3 TRP A 33 0.026 1.364 0.742 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.975 2.294 0.289 1.00 0.00 C ATOM 0 H TRP A 33 2.524 -3.817 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 33 1.134 -3.379 0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.299 -3.315 -2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.625 -2.653 -1.006 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.588 -2.078 -2.989 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.385 0.368 -2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.731 -0.647 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.633 2.637 -1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.688 1.649 1.500 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.990 3.293 0.698 1.00 0.00 H new ATOM 612 N LEU A 34 0.145 -5.645 0.831 1.00 0.00 N ATOM 613 CA LEU A 34 -0.544 -6.974 0.915 1.00 0.00 C ATOM 614 C LEU A 34 -1.290 -7.113 2.242 1.00 0.00 C ATOM 615 O LEU A 34 -0.978 -6.439 3.206 1.00 0.00 O ATOM 616 CB LEU A 34 0.565 -8.020 0.802 1.00 0.00 C ATOM 617 CG LEU A 34 1.529 -7.887 1.979 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.108 -9.260 2.316 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.659 -6.935 1.596 1.00 0.00 C ATOM 0 H LEU A 34 0.372 -5.212 1.726 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.288 -7.093 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.133 -9.020 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.104 -7.891 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 34 1.000 -7.494 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.797 -9.168 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.299 -9.940 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.642 -9.652 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.351 -6.836 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.191 -7.331 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.244 -5.957 1.351 1.00 0.00 H new ATOM 631 N ARG A 35 -2.263 -7.983 2.316 1.00 0.00 N ATOM 632 CA ARG A 35 -2.990 -8.144 3.603 1.00 0.00 C ATOM 633 C ARG A 35 -3.757 -9.466 3.624 1.00 0.00 C ATOM 634 O ARG A 35 -3.809 -10.159 4.619 1.00 0.00 O ATOM 635 CB ARG A 35 -3.944 -6.952 3.650 1.00 0.00 C ATOM 636 CG ARG A 35 -4.949 -7.127 4.793 1.00 0.00 C ATOM 637 CD ARG A 35 -4.203 -7.328 6.115 1.00 0.00 C ATOM 638 NE ARG A 35 -5.263 -7.294 7.162 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.940 -7.395 8.422 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.780 -6.962 8.835 1.00 0.00 N ATOM 641 NH2 ARG A 35 -5.777 -7.928 9.270 1.00 0.00 N ATOM 0 H ARG A 35 -2.580 -8.579 1.552 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.322 -8.169 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.380 -6.030 3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.473 -6.862 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.594 -6.251 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.593 -7.984 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.667 -8.277 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.464 -6.543 6.275 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.242 -7.192 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.126 -6.545 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.527 -7.041 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.684 -8.266 8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.524 -8.007 10.255 1.00 0.00 H new ATOM 655 N LYS A 36 -4.360 -9.799 2.525 1.00 0.00 N ATOM 656 CA LYS A 36 -5.152 -11.065 2.437 1.00 0.00 C ATOM 657 C LYS A 36 -5.775 -11.196 1.043 1.00 0.00 C ATOM 658 O LYS A 36 -6.066 -12.283 0.586 1.00 0.00 O ATOM 659 CB LYS A 36 -6.252 -10.937 3.496 1.00 0.00 C ATOM 660 CG LYS A 36 -6.348 -12.241 4.291 1.00 0.00 C ATOM 661 CD LYS A 36 -7.820 -12.607 4.496 1.00 0.00 C ATOM 662 CE LYS A 36 -8.170 -12.501 5.983 1.00 0.00 C ATOM 663 NZ LYS A 36 -9.533 -11.899 6.016 1.00 0.00 N ATOM 0 H LYS A 36 -4.342 -9.246 1.668 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.532 -11.946 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.032 -10.106 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.207 -10.718 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.834 -13.042 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.852 -12.129 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.456 -11.941 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.007 -13.620 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.159 -13.480 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.450 -11.878 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.747 -11.577 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.571 -11.089 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.234 -12.610 5.725 1.00 0.00 H new ATOM 677 N GLY A 37 -5.993 -10.092 0.370 1.00 0.00 N ATOM 678 CA GLY A 37 -6.595 -10.145 -0.986 1.00 0.00 C ATOM 679 C GLY A 37 -5.496 -10.354 -2.036 1.00 0.00 C ATOM 680 O GLY A 37 -5.412 -9.621 -2.995 1.00 0.00 O ATOM 0 H GLY A 37 -5.776 -9.155 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.321 -10.956 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.135 -9.220 -1.190 1.00 0.00 H new ATOM 684 N GLN A 38 -4.651 -11.339 -1.836 1.00 0.00 N ATOM 685 CA GLN A 38 -3.533 -11.631 -2.793 1.00 0.00 C ATOM 686 C GLN A 38 -2.819 -10.347 -3.210 1.00 0.00 C ATOM 687 O GLN A 38 -2.910 -9.891 -4.329 1.00 0.00 O ATOM 688 CB GLN A 38 -4.156 -12.391 -3.987 1.00 0.00 C ATOM 689 CG GLN A 38 -5.051 -11.493 -4.856 1.00 0.00 C ATOM 690 CD GLN A 38 -4.863 -11.870 -6.328 1.00 0.00 C ATOM 691 OE1 GLN A 38 -5.823 -12.051 -7.048 1.00 0.00 O ATOM 692 NE2 GLN A 38 -3.655 -11.991 -6.807 1.00 0.00 N ATOM 0 H GLN A 38 -4.690 -11.966 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.762 -12.247 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.359 -12.809 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.743 -13.230 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.095 -11.612 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.795 -10.445 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.849 -11.839 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.517 -12.238 -7.787 1.00 0.00 H new ATOM 701 N VAL A 39 -2.098 -9.779 -2.283 1.00 0.00 N ATOM 702 CA VAL A 39 -1.339 -8.519 -2.534 1.00 0.00 C ATOM 703 C VAL A 39 -2.229 -7.468 -3.205 1.00 0.00 C ATOM 704 O VAL A 39 -3.378 -7.702 -3.522 1.00 0.00 O ATOM 705 CB VAL A 39 -0.108 -8.887 -3.397 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.545 -10.159 -2.850 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.492 -9.117 -4.865 1.00 0.00 C ATOM 0 H VAL A 39 -2.000 -10.145 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.006 -8.071 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 39 0.589 -8.050 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.411 -10.415 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.863 -9.991 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.174 -10.978 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.399 -9.373 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.212 -9.933 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.936 -8.208 -5.272 1.00 0.00 H new ATOM 717 N LEU A 40 -1.698 -6.300 -3.386 1.00 0.00 N ATOM 718 CA LEU A 40 -2.472 -5.187 -3.999 1.00 0.00 C ATOM 719 C LEU A 40 -1.779 -4.751 -5.291 1.00 0.00 C ATOM 720 O LEU A 40 -2.380 -4.177 -6.171 1.00 0.00 O ATOM 721 CB LEU A 40 -2.407 -4.053 -2.964 1.00 0.00 C ATOM 722 CG LEU A 40 -3.379 -4.299 -1.799 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.083 -5.633 -1.115 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.202 -3.192 -0.764 1.00 0.00 C ATOM 0 H LEU A 40 -0.740 -6.061 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.498 -5.465 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.391 -3.967 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.647 -3.105 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.394 -4.313 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.784 -5.784 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.189 -6.443 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.065 -5.624 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.888 -3.358 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.176 -3.199 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.415 -2.227 -1.223 1.00 0.00 H new ATOM 736 N SER A 41 -0.504 -5.013 -5.393 1.00 0.00 N ATOM 737 CA SER A 41 0.267 -4.617 -6.606 1.00 0.00 C ATOM 738 C SER A 41 -0.488 -4.958 -7.892 1.00 0.00 C ATOM 739 O SER A 41 -0.350 -6.038 -8.429 1.00 0.00 O ATOM 740 CB SER A 41 1.558 -5.422 -6.525 1.00 0.00 C ATOM 741 OG SER A 41 1.241 -6.790 -6.304 1.00 0.00 O ATOM 0 H SER A 41 0.043 -5.491 -4.677 1.00 0.00 H new ATOM 0 HA SER A 41 0.440 -3.541 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.128 -5.313 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.185 -5.046 -5.717 1.00 0.00 H new ATOM 0 HG SER A 41 0.687 -7.121 -7.042 1.00 0.00 H new ATOM 747 N THR A 42 -1.250 -4.010 -8.387 1.00 0.00 N ATOM 748 CA THR A 42 -2.029 -4.170 -9.659 1.00 0.00 C ATOM 749 C THR A 42 -2.349 -5.637 -9.976 1.00 0.00 C ATOM 750 O THR A 42 -2.074 -6.128 -11.051 1.00 0.00 O ATOM 751 CB THR A 42 -1.134 -3.568 -10.741 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.081 -4.473 -11.041 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.545 -2.229 -10.269 1.00 0.00 C ATOM 0 H THR A 42 -1.368 -3.099 -7.945 1.00 0.00 H new ATOM 0 HA THR A 42 -2.999 -3.678 -9.587 1.00 0.00 H new ATOM 0 HB THR A 42 -1.733 -3.390 -11.634 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.458 -5.324 -11.346 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.090 -1.815 -11.052 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.354 -1.532 -10.051 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.048 -2.390 -9.368 1.00 0.00 H new ATOM 761 N SER A 43 -2.924 -6.332 -9.040 1.00 0.00 N ATOM 762 CA SER A 43 -3.263 -7.767 -9.273 1.00 0.00 C ATOM 763 C SER A 43 -4.324 -7.891 -10.372 1.00 0.00 C ATOM 764 O SER A 43 -4.094 -8.487 -11.404 1.00 0.00 O ATOM 765 CB SER A 43 -3.810 -8.260 -7.934 1.00 0.00 C ATOM 766 OG SER A 43 -3.536 -9.647 -7.792 1.00 0.00 O ATOM 0 H SER A 43 -3.176 -5.971 -8.120 1.00 0.00 H new ATOM 0 HA SER A 43 -2.403 -8.350 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.354 -7.703 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.884 -8.083 -7.881 1.00 0.00 H new ATOM 0 HG SER A 43 -2.666 -9.766 -7.357 1.00 0.00 H new ATOM 772 N ALA A 44 -5.482 -7.332 -10.152 1.00 0.00 N ATOM 773 CA ALA A 44 -6.570 -7.408 -11.177 1.00 0.00 C ATOM 774 C ALA A 44 -7.811 -6.674 -10.663 1.00 0.00 C ATOM 775 O ALA A 44 -8.922 -7.147 -10.790 1.00 0.00 O ATOM 776 CB ALA A 44 -6.864 -8.900 -11.351 1.00 0.00 C ATOM 0 H ALA A 44 -5.726 -6.822 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.283 -6.945 -12.121 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.654 -9.031 -12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.963 -9.411 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.185 -9.321 -10.398 1.00 0.00 H new ATOM 782 N ARG A 45 -7.621 -5.519 -10.080 1.00 0.00 N ATOM 783 CA ARG A 45 -8.781 -4.734 -9.540 1.00 0.00 C ATOM 784 C ARG A 45 -8.291 -3.459 -8.839 1.00 0.00 C ATOM 785 O ARG A 45 -9.000 -2.478 -8.749 1.00 0.00 O ATOM 786 CB ARG A 45 -9.488 -5.655 -8.535 1.00 0.00 C ATOM 787 CG ARG A 45 -8.467 -6.293 -7.586 1.00 0.00 C ATOM 788 CD ARG A 45 -9.160 -7.358 -6.735 1.00 0.00 C ATOM 789 NE ARG A 45 -8.216 -7.630 -5.616 1.00 0.00 N ATOM 790 CZ ARG A 45 -7.877 -8.859 -5.331 1.00 0.00 C ATOM 791 NH1 ARG A 45 -7.652 -9.713 -6.292 1.00 0.00 N ATOM 792 NH2 ARG A 45 -7.765 -9.232 -4.087 1.00 0.00 N ATOM 0 H ARG A 45 -6.709 -5.080 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.453 -4.423 -10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.220 -5.085 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.035 -6.433 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.654 -6.741 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.024 -5.531 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.121 -7.003 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.356 -8.260 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.834 -6.856 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.741 -9.421 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.387 -10.673 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.942 -8.564 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.500 -10.192 -3.864 1.00 0.00 H new ATOM 806 N HIS A 46 -7.081 -3.462 -8.354 1.00 0.00 N ATOM 807 CA HIS A 46 -6.530 -2.247 -7.675 1.00 0.00 C ATOM 808 C HIS A 46 -5.263 -1.806 -8.414 1.00 0.00 C ATOM 809 O HIS A 46 -4.788 -2.501 -9.290 1.00 0.00 O ATOM 810 CB HIS A 46 -6.216 -2.649 -6.218 1.00 0.00 C ATOM 811 CG HIS A 46 -5.728 -4.075 -6.125 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.175 -4.941 -5.137 1.00 0.00 N ATOM 813 CD2 HIS A 46 -4.838 -4.797 -6.878 1.00 0.00 C ATOM 814 CE1 HIS A 46 -5.556 -6.121 -5.323 1.00 0.00 C ATOM 815 NE2 HIS A 46 -4.730 -6.088 -6.370 1.00 0.00 N ATOM 0 H HIS A 46 -6.443 -4.257 -8.397 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.233 -1.414 -7.683 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.460 -1.978 -5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.111 -2.530 -5.607 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.850 -4.723 -4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.302 -4.420 -7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.709 -6.990 -4.700 1.00 0.00 H new ATOM 823 N GLN A 47 -4.714 -0.660 -8.098 1.00 0.00 N ATOM 824 CA GLN A 47 -3.491 -0.216 -8.828 1.00 0.00 C ATOM 825 C GLN A 47 -2.488 0.445 -7.879 1.00 0.00 C ATOM 826 O GLN A 47 -2.787 1.423 -7.224 1.00 0.00 O ATOM 827 CB GLN A 47 -3.997 0.795 -9.859 1.00 0.00 C ATOM 828 CG GLN A 47 -2.828 1.281 -10.717 1.00 0.00 C ATOM 829 CD GLN A 47 -2.177 2.497 -10.053 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.853 3.435 -9.681 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.883 2.519 -9.887 1.00 0.00 N ATOM 0 H GLN A 47 -5.054 -0.023 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.968 -1.055 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.758 0.336 -10.490 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.467 1.639 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.095 0.483 -10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.180 1.543 -11.715 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.315 1.731 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.439 3.324 -9.445 1.00 0.00 H new ATOM 840 N VAL A 48 -1.293 -0.077 -7.809 1.00 0.00 N ATOM 841 CA VAL A 48 -0.271 0.530 -6.915 1.00 0.00 C ATOM 842 C VAL A 48 0.906 1.058 -7.743 1.00 0.00 C ATOM 843 O VAL A 48 1.078 0.716 -8.897 1.00 0.00 O ATOM 844 CB VAL A 48 0.164 -0.609 -5.955 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.630 -1.027 -6.174 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.008 -0.126 -4.516 1.00 0.00 C ATOM 0 H VAL A 48 -0.983 -0.896 -8.332 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.657 1.383 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.468 -1.474 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.888 -1.826 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.759 -1.380 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.282 -0.171 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.311 -0.918 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.635 0.751 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.034 0.135 -4.331 1.00 0.00 H new ATOM 856 N THR A 49 1.731 1.855 -7.139 1.00 0.00 N ATOM 857 CA THR A 49 2.929 2.380 -7.849 1.00 0.00 C ATOM 858 C THR A 49 4.031 2.635 -6.823 1.00 0.00 C ATOM 859 O THR A 49 3.779 2.663 -5.635 1.00 0.00 O ATOM 860 CB THR A 49 2.479 3.681 -8.516 1.00 0.00 C ATOM 861 OG1 THR A 49 3.548 4.204 -9.293 1.00 0.00 O ATOM 862 CG2 THR A 49 2.082 4.692 -7.448 1.00 0.00 C ATOM 0 H THR A 49 1.629 2.171 -6.174 1.00 0.00 H new ATOM 0 HA THR A 49 3.323 1.687 -8.592 1.00 0.00 H new ATOM 0 HB THR A 49 1.622 3.483 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.263 5.037 -9.723 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.762 5.618 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.263 4.289 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.937 4.893 -6.802 1.00 0.00 H new ATOM 870 N THR A 50 5.246 2.815 -7.253 1.00 0.00 N ATOM 871 CA THR A 50 6.337 3.056 -6.268 1.00 0.00 C ATOM 872 C THR A 50 7.433 3.934 -6.877 1.00 0.00 C ATOM 873 O THR A 50 7.747 3.834 -8.046 1.00 0.00 O ATOM 874 CB THR A 50 6.876 1.666 -5.943 1.00 0.00 C ATOM 875 OG1 THR A 50 5.786 0.790 -5.697 1.00 0.00 O ATOM 876 CG2 THR A 50 7.757 1.740 -4.700 1.00 0.00 C ATOM 0 H THR A 50 5.531 2.806 -8.232 1.00 0.00 H new ATOM 0 HA THR A 50 5.984 3.580 -5.380 1.00 0.00 H new ATOM 0 HB THR A 50 7.464 1.295 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.126 -0.105 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.142 0.747 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.590 2.418 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.169 2.107 -3.859 1.00 0.00 H new ATOM 884 N THR A 51 8.019 4.793 -6.088 1.00 0.00 N ATOM 885 CA THR A 51 9.097 5.681 -6.610 1.00 0.00 C ATOM 886 C THR A 51 10.429 5.327 -5.931 1.00 0.00 C ATOM 887 O THR A 51 10.758 4.168 -5.773 1.00 0.00 O ATOM 888 CB THR A 51 8.640 7.096 -6.245 1.00 0.00 C ATOM 889 OG1 THR A 51 7.227 7.178 -6.367 1.00 0.00 O ATOM 890 CG2 THR A 51 9.295 8.110 -7.183 1.00 0.00 C ATOM 0 H THR A 51 7.797 4.918 -5.100 1.00 0.00 H new ATOM 0 HA THR A 51 9.258 5.579 -7.683 1.00 0.00 H new ATOM 0 HB THR A 51 8.933 7.318 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.810 6.908 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.966 9.115 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.379 8.046 -7.088 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.007 7.893 -8.212 1.00 0.00 H new ATOM 898 N LYS A 52 11.202 6.302 -5.527 1.00 0.00 N ATOM 899 CA LYS A 52 12.498 5.992 -4.866 1.00 0.00 C ATOM 900 C LYS A 52 12.278 5.682 -3.382 1.00 0.00 C ATOM 901 O LYS A 52 12.409 4.554 -2.949 1.00 0.00 O ATOM 902 CB LYS A 52 13.335 7.255 -5.035 1.00 0.00 C ATOM 903 CG LYS A 52 14.486 6.977 -6.000 1.00 0.00 C ATOM 904 CD LYS A 52 13.929 6.729 -7.403 1.00 0.00 C ATOM 905 CE LYS A 52 14.836 7.398 -8.438 1.00 0.00 C ATOM 906 NZ LYS A 52 15.586 6.278 -9.071 1.00 0.00 N ATOM 0 H LYS A 52 10.990 7.295 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 52 12.986 5.119 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.715 8.067 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.725 7.578 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.174 7.822 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.054 6.109 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.866 5.658 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.917 7.127 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.254 7.950 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.513 8.111 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.231 6.657 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.136 5.775 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.916 5.619 -9.516 1.00 0.00 H new ATOM 920 N TYR A 53 11.943 6.671 -2.598 1.00 0.00 N ATOM 921 CA TYR A 53 11.715 6.419 -1.142 1.00 0.00 C ATOM 922 C TYR A 53 10.257 6.645 -0.775 1.00 0.00 C ATOM 923 O TYR A 53 9.945 6.941 0.355 1.00 0.00 O ATOM 924 CB TYR A 53 12.558 7.439 -0.395 1.00 0.00 C ATOM 925 CG TYR A 53 13.976 7.422 -0.895 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.903 6.527 -0.351 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.365 8.311 -1.897 1.00 0.00 C ATOM 928 CE1 TYR A 53 16.223 6.524 -0.817 1.00 0.00 C ATOM 929 CE2 TYR A 53 15.681 8.311 -2.364 1.00 0.00 C ATOM 930 CZ TYR A 53 16.613 7.416 -1.825 1.00 0.00 C ATOM 931 OH TYR A 53 17.914 7.413 -2.284 1.00 0.00 O ATOM 0 H TYR A 53 11.817 7.638 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 53 11.977 5.391 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.133 8.434 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.541 7.221 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.601 5.840 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.646 9.001 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.941 5.834 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.979 9.000 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 53 18.016 8.092 -2.983 1.00 0.00 H new ATOM 941 N LYS A 54 9.367 6.544 -1.711 1.00 0.00 N ATOM 942 CA LYS A 54 7.929 6.784 -1.380 1.00 0.00 C ATOM 943 C LYS A 54 7.010 6.002 -2.325 1.00 0.00 C ATOM 944 O LYS A 54 7.087 6.128 -3.528 1.00 0.00 O ATOM 945 CB LYS A 54 7.703 8.303 -1.523 1.00 0.00 C ATOM 946 CG LYS A 54 8.607 8.900 -2.616 1.00 0.00 C ATOM 947 CD LYS A 54 8.093 10.287 -3.009 1.00 0.00 C ATOM 948 CE LYS A 54 6.777 10.153 -3.786 1.00 0.00 C ATOM 949 NZ LYS A 54 7.156 10.168 -5.231 1.00 0.00 N ATOM 0 H LYS A 54 9.561 6.308 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 54 7.695 6.444 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.658 8.497 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.905 8.795 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.633 8.971 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.620 8.246 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.939 10.894 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.836 10.801 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.262 9.228 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.098 10.973 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.482 10.756 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.114 10.560 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.137 9.198 -5.605 1.00 0.00 H new ATOM 963 N SER A 55 6.125 5.209 -1.784 1.00 0.00 N ATOM 964 CA SER A 55 5.188 4.438 -2.646 1.00 0.00 C ATOM 965 C SER A 55 3.789 5.040 -2.544 1.00 0.00 C ATOM 966 O SER A 55 3.533 5.881 -1.715 1.00 0.00 O ATOM 967 CB SER A 55 5.168 3.019 -2.078 1.00 0.00 C ATOM 968 OG SER A 55 4.733 2.137 -3.093 1.00 0.00 O ATOM 0 H SER A 55 6.011 5.063 -0.781 1.00 0.00 H new ATOM 0 HA SER A 55 5.496 4.454 -3.691 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.161 2.736 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.501 2.965 -1.217 1.00 0.00 H new ATOM 0 HG SER A 55 4.530 2.647 -3.905 1.00 0.00 H new ATOM 974 N THR A 56 2.874 4.600 -3.360 1.00 0.00 N ATOM 975 CA THR A 56 1.481 5.134 -3.270 1.00 0.00 C ATOM 976 C THR A 56 0.508 4.068 -3.751 1.00 0.00 C ATOM 977 O THR A 56 0.792 3.315 -4.667 1.00 0.00 O ATOM 978 CB THR A 56 1.382 6.394 -4.154 1.00 0.00 C ATOM 979 OG1 THR A 56 1.031 6.025 -5.474 1.00 0.00 O ATOM 980 CG2 THR A 56 2.703 7.163 -4.171 1.00 0.00 C ATOM 0 H THR A 56 3.026 3.897 -4.083 1.00 0.00 H new ATOM 0 HA THR A 56 1.234 5.395 -2.241 1.00 0.00 H new ATOM 0 HB THR A 56 0.613 7.043 -3.735 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.287 6.741 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.602 8.046 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.959 7.470 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.492 6.523 -4.566 1.00 0.00 H new ATOM 988 N PHE A 57 -0.631 3.990 -3.136 1.00 0.00 N ATOM 989 CA PHE A 57 -1.621 2.964 -3.549 1.00 0.00 C ATOM 990 C PHE A 57 -2.993 3.592 -3.772 1.00 0.00 C ATOM 991 O PHE A 57 -3.550 4.216 -2.894 1.00 0.00 O ATOM 992 CB PHE A 57 -1.666 1.977 -2.380 1.00 0.00 C ATOM 993 CG PHE A 57 -2.709 0.915 -2.638 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.865 0.385 -3.922 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.508 0.450 -1.586 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.817 -0.610 -4.160 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.464 -0.544 -1.824 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.617 -1.076 -3.110 1.00 0.00 C ATOM 0 H PHE A 57 -0.921 4.591 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.346 2.484 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.689 1.513 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.896 2.506 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.248 0.745 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.387 0.858 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.935 -1.019 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.084 -0.901 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.352 -1.846 -3.292 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.554 3.416 -4.934 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.897 3.995 -5.197 1.00 0.00 C ATOM 1010 C GLU A 58 -5.823 2.905 -5.747 1.00 0.00 C ATOM 1011 O GLU A 58 -5.468 2.185 -6.659 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.663 5.102 -6.234 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.313 4.490 -7.596 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.595 4.273 -8.408 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.639 4.738 -7.975 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.513 3.643 -9.449 1.00 0.00 O ATOM 0 H GLU A 58 -3.142 2.898 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.370 4.393 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.556 5.720 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.856 5.755 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.634 5.149 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.794 3.542 -7.457 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.999 2.767 -5.204 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.919 1.711 -5.717 1.00 0.00 C ATOM 1025 C ILE A 59 -9.095 2.350 -6.451 1.00 0.00 C ATOM 1026 O ILE A 59 -9.793 3.197 -5.928 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.415 0.932 -4.497 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.250 0.662 -3.529 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.009 -0.398 -4.966 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.708 -0.248 -2.384 1.00 0.00 C ATOM 0 H ILE A 59 -7.362 3.332 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.410 1.053 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.173 1.518 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.424 0.195 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.877 1.604 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.366 -0.961 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.841 -0.206 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.244 -0.975 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.873 -0.430 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.519 0.234 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.059 -1.196 -2.791 1.00 0.00 H new ATOM 1042 N SER A 60 -9.306 1.941 -7.662 1.00 0.00 N ATOM 1043 CA SER A 60 -10.429 2.498 -8.471 1.00 0.00 C ATOM 1044 C SER A 60 -10.925 1.465 -9.496 1.00 0.00 C ATOM 1045 O SER A 60 -11.660 1.786 -10.408 1.00 0.00 O ATOM 1046 CB SER A 60 -9.836 3.713 -9.178 1.00 0.00 C ATOM 1047 OG SER A 60 -9.836 4.819 -8.284 1.00 0.00 O ATOM 0 H SER A 60 -8.744 1.235 -8.138 1.00 0.00 H new ATOM 0 HA SER A 60 -11.289 2.759 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.820 3.497 -9.508 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.417 3.950 -10.069 1.00 0.00 H new ATOM 0 HG SER A 60 -9.920 4.495 -7.363 1.00 0.00 H new ATOM 1053 N SER A 61 -10.525 0.229 -9.353 1.00 0.00 N ATOM 1054 CA SER A 61 -10.960 -0.829 -10.312 1.00 0.00 C ATOM 1055 C SER A 61 -11.534 -2.033 -9.552 1.00 0.00 C ATOM 1056 O SER A 61 -11.919 -3.021 -10.145 1.00 0.00 O ATOM 1057 CB SER A 61 -9.679 -1.217 -11.034 1.00 0.00 C ATOM 1058 OG SER A 61 -9.734 -2.584 -11.421 1.00 0.00 O ATOM 0 H SER A 61 -9.910 -0.096 -8.606 1.00 0.00 H new ATOM 0 HA SER A 61 -11.741 -0.489 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.542 -0.587 -11.913 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.820 -1.049 -10.384 1.00 0.00 H new ATOM 0 HG SER A 61 -10.663 -2.894 -11.396 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.575 -1.949 -8.242 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.103 -3.065 -7.390 1.00 0.00 C ATOM 1066 C VAL A 62 -13.272 -3.801 -8.075 1.00 0.00 C ATOM 1067 O VAL A 62 -14.280 -3.214 -8.417 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.520 -2.351 -6.082 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.915 -2.785 -5.601 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -11.498 -2.685 -4.994 1.00 0.00 C ATOM 0 H VAL A 62 -11.257 -1.135 -7.716 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.372 -3.853 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.554 -1.280 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.163 -2.257 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.654 -2.547 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.918 -3.859 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.779 -2.188 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.474 -3.763 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.511 -2.342 -5.304 1.00 0.00 H new ATOM 1080 N GLN A 63 -13.130 -5.085 -8.269 1.00 0.00 N ATOM 1081 CA GLN A 63 -14.214 -5.874 -8.920 1.00 0.00 C ATOM 1082 C GLN A 63 -15.476 -5.840 -8.051 1.00 0.00 C ATOM 1083 O GLN A 63 -15.785 -4.841 -7.431 1.00 0.00 O ATOM 1084 CB GLN A 63 -13.651 -7.296 -9.018 1.00 0.00 C ATOM 1085 CG GLN A 63 -13.481 -7.883 -7.612 1.00 0.00 C ATOM 1086 CD GLN A 63 -12.425 -8.989 -7.638 1.00 0.00 C ATOM 1087 OE1 GLN A 63 -12.005 -9.423 -8.693 1.00 0.00 O ATOM 1088 NE2 GLN A 63 -11.978 -9.466 -6.510 1.00 0.00 N ATOM 0 H GLN A 63 -12.305 -5.623 -8.003 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.496 -5.483 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.321 -7.923 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.692 -7.283 -9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.184 -7.100 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.431 -8.283 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.332 -9.100 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.275 -10.205 -6.512 1.00 0.00 H new ATOM 1097 N ALA A 64 -16.206 -6.922 -7.985 1.00 0.00 N ATOM 1098 CA ALA A 64 -17.432 -6.932 -7.141 1.00 0.00 C ATOM 1099 C ALA A 64 -17.086 -6.492 -5.720 1.00 0.00 C ATOM 1100 O ALA A 64 -17.909 -5.965 -4.998 1.00 0.00 O ATOM 1101 CB ALA A 64 -17.920 -8.380 -7.155 1.00 0.00 C ATOM 0 H ALA A 64 -16.006 -7.793 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.197 -6.249 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.824 -8.465 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.138 -8.681 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.147 -9.029 -6.744 1.00 0.00 H new ATOM 1107 N SER A 65 -15.861 -6.699 -5.324 1.00 0.00 N ATOM 1108 CA SER A 65 -15.419 -6.292 -3.950 1.00 0.00 C ATOM 1109 C SER A 65 -14.012 -6.824 -3.654 1.00 0.00 C ATOM 1110 O SER A 65 -13.590 -7.832 -4.183 1.00 0.00 O ATOM 1111 CB SER A 65 -16.427 -6.915 -2.977 1.00 0.00 C ATOM 1112 OG SER A 65 -17.132 -5.878 -2.308 1.00 0.00 O ATOM 0 H SER A 65 -15.137 -7.136 -5.895 1.00 0.00 H new ATOM 0 HA SER A 65 -15.383 -5.207 -3.856 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.124 -7.555 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.910 -7.546 -2.253 1.00 0.00 H new ATOM 0 HG SER A 65 -17.741 -5.438 -2.937 1.00 0.00 H new ATOM 1118 N ASP A 66 -13.295 -6.153 -2.796 1.00 0.00 N ATOM 1119 CA ASP A 66 -11.921 -6.606 -2.432 1.00 0.00 C ATOM 1120 C ASP A 66 -11.883 -6.934 -0.942 1.00 0.00 C ATOM 1121 O ASP A 66 -11.897 -8.081 -0.542 1.00 0.00 O ATOM 1122 CB ASP A 66 -11.014 -5.420 -2.755 1.00 0.00 C ATOM 1123 CG ASP A 66 -9.925 -5.863 -3.731 1.00 0.00 C ATOM 1124 OD1 ASP A 66 -9.291 -6.868 -3.459 1.00 0.00 O ATOM 1125 OD2 ASP A 66 -9.746 -5.192 -4.733 1.00 0.00 O ATOM 0 H ASP A 66 -13.604 -5.302 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.608 -7.501 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.599 -4.609 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.563 -5.034 -1.841 1.00 0.00 H new ATOM 1130 N GLU A 67 -11.853 -5.926 -0.122 1.00 0.00 N ATOM 1131 CA GLU A 67 -11.832 -6.132 1.342 1.00 0.00 C ATOM 1132 C GLU A 67 -11.819 -4.793 2.047 1.00 0.00 C ATOM 1133 O GLU A 67 -11.836 -3.761 1.423 1.00 0.00 O ATOM 1134 CB GLU A 67 -10.553 -6.897 1.632 1.00 0.00 C ATOM 1135 CG GLU A 67 -10.915 -8.149 2.404 1.00 0.00 C ATOM 1136 CD GLU A 67 -9.655 -8.959 2.710 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -8.702 -8.841 1.958 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -9.664 -9.684 3.691 1.00 0.00 O ATOM 0 H GLU A 67 -11.842 -4.949 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.709 -6.677 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.046 -7.157 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.864 -6.280 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.419 -7.880 3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.614 -8.753 1.826 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.796 -4.819 3.343 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.790 -3.560 4.127 1.00 0.00 C ATOM 1147 C GLY A 68 -10.388 -3.288 4.650 1.00 0.00 C ATOM 1148 O GLY A 68 -9.955 -2.171 4.694 1.00 0.00 O ATOM 0 H GLY A 68 -11.781 -5.672 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.123 -2.730 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.491 -3.635 4.959 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.684 -4.298 5.060 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.310 -4.087 5.594 1.00 0.00 C ATOM 1154 C ASN A 69 -7.232 -4.418 4.548 1.00 0.00 C ATOM 1155 O ASN A 69 -7.296 -5.413 3.854 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.207 -5.039 6.779 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.871 -4.408 8.003 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -9.857 -3.708 7.881 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.370 -4.628 9.188 1.00 0.00 N ATOM 0 H ASN A 69 -10.000 -5.268 5.050 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.146 -3.045 5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.689 -5.987 6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.161 -5.258 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.806 -4.213 10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.543 -5.215 9.291 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.233 -3.581 4.460 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.103 -3.796 3.504 1.00 0.00 C ATOM 1168 C TYR A 70 -3.839 -3.169 4.112 1.00 0.00 C ATOM 1169 O TYR A 70 -3.940 -2.267 4.921 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.509 -3.058 2.228 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.248 -4.000 1.306 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.677 -5.227 0.948 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.506 -3.642 0.806 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.366 -6.096 0.088 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.196 -4.509 -0.053 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.627 -5.738 -0.413 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.304 -6.598 -1.263 1.00 0.00 O ATOM 0 H TYR A 70 -6.150 -2.736 5.024 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.901 -4.848 3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.142 -2.206 2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.624 -2.664 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.707 -5.505 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.946 -2.695 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.925 -7.042 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.166 -4.230 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.183 -6.304 -2.190 1.00 0.00 H new ATOM 1187 N SER A 71 -2.652 -3.612 3.763 1.00 0.00 N ATOM 1188 CA SER A 71 -1.450 -2.972 4.387 1.00 0.00 C ATOM 1189 C SER A 71 -0.254 -2.926 3.435 1.00 0.00 C ATOM 1190 O SER A 71 -0.366 -3.198 2.258 1.00 0.00 O ATOM 1191 CB SER A 71 -1.111 -3.803 5.626 1.00 0.00 C ATOM 1192 OG SER A 71 -1.835 -5.027 5.611 1.00 0.00 O ATOM 0 H SER A 71 -2.467 -4.362 3.097 1.00 0.00 H new ATOM 0 HA SER A 71 -1.672 -1.935 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.040 -4.006 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.353 -3.240 6.527 1.00 0.00 H new ATOM 0 HG SER A 71 -1.562 -5.559 4.835 1.00 0.00 H new ATOM 1198 N VAL A 72 0.889 -2.548 3.950 1.00 0.00 N ATOM 1199 CA VAL A 72 2.112 -2.441 3.086 1.00 0.00 C ATOM 1200 C VAL A 72 3.382 -2.804 3.863 1.00 0.00 C ATOM 1201 O VAL A 72 3.868 -2.038 4.664 1.00 0.00 O ATOM 1202 CB VAL A 72 2.158 -0.966 2.675 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.119 -0.095 3.928 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.449 -0.663 1.901 1.00 0.00 C ATOM 0 H VAL A 72 1.031 -2.308 4.931 1.00 0.00 H new ATOM 0 HA VAL A 72 2.066 -3.123 2.237 1.00 0.00 H new ATOM 0 HB VAL A 72 1.301 -0.753 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.152 0.956 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.200 -0.292 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.978 -0.326 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.465 0.389 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.311 -0.882 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.489 -1.281 1.004 1.00 0.00 H new ATOM 1214 N VAL A 73 3.946 -3.946 3.602 1.00 0.00 N ATOM 1215 CA VAL A 73 5.200 -4.329 4.302 1.00 0.00 C ATOM 1216 C VAL A 73 6.396 -3.826 3.493 1.00 0.00 C ATOM 1217 O VAL A 73 6.839 -4.450 2.550 1.00 0.00 O ATOM 1218 CB VAL A 73 5.192 -5.860 4.387 1.00 0.00 C ATOM 1219 CG1 VAL A 73 3.948 -6.324 5.146 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.185 -6.476 2.986 1.00 0.00 C ATOM 0 H VAL A 73 3.593 -4.632 2.934 1.00 0.00 H new ATOM 0 HA VAL A 73 5.270 -3.894 5.299 1.00 0.00 H new ATOM 0 HB VAL A 73 6.091 -6.184 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.943 -7.412 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.958 -5.905 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.054 -5.986 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.179 -7.563 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.296 -6.147 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.075 -6.157 2.444 1.00 0.00 H new ATOM 1230 N VAL A 74 6.911 -2.689 3.856 1.00 0.00 N ATOM 1231 CA VAL A 74 8.066 -2.121 3.116 1.00 0.00 C ATOM 1232 C VAL A 74 9.374 -2.651 3.728 1.00 0.00 C ATOM 1233 O VAL A 74 9.394 -3.161 4.825 1.00 0.00 O ATOM 1234 CB VAL A 74 7.898 -0.597 3.298 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.256 0.116 3.381 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.116 -0.038 2.110 1.00 0.00 C ATOM 0 H VAL A 74 6.579 -2.125 4.639 1.00 0.00 H new ATOM 0 HA VAL A 74 8.104 -2.391 2.061 1.00 0.00 H new ATOM 0 HB VAL A 74 7.364 -0.423 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.098 1.187 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.819 -0.271 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.816 -0.061 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.992 1.038 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.661 -0.240 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.136 -0.513 2.064 1.00 0.00 H new ATOM 1246 N GLU A 75 10.463 -2.530 3.027 1.00 0.00 N ATOM 1247 CA GLU A 75 11.765 -3.018 3.571 1.00 0.00 C ATOM 1248 C GLU A 75 12.874 -2.715 2.566 1.00 0.00 C ATOM 1249 O GLU A 75 12.673 -1.966 1.636 1.00 0.00 O ATOM 1250 CB GLU A 75 11.602 -4.525 3.771 1.00 0.00 C ATOM 1251 CG GLU A 75 11.115 -5.171 2.479 1.00 0.00 C ATOM 1252 CD GLU A 75 9.603 -5.397 2.559 1.00 0.00 C ATOM 1253 OE1 GLU A 75 9.114 -5.621 3.653 1.00 0.00 O ATOM 1254 OE2 GLU A 75 8.959 -5.343 1.524 1.00 0.00 O ATOM 0 H GLU A 75 10.512 -2.113 2.097 1.00 0.00 H new ATOM 0 HA GLU A 75 12.031 -2.533 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.553 -4.965 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.892 -4.719 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.353 -4.532 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.627 -6.120 2.319 1.00 0.00 H new ATOM 1261 N ASN A 76 14.044 -3.269 2.738 1.00 0.00 N ATOM 1262 CA ASN A 76 15.132 -2.968 1.767 1.00 0.00 C ATOM 1263 C ASN A 76 16.349 -3.857 1.989 1.00 0.00 C ATOM 1264 O ASN A 76 16.269 -4.939 2.534 1.00 0.00 O ATOM 1265 CB ASN A 76 15.470 -1.480 1.995 1.00 0.00 C ATOM 1266 CG ASN A 76 16.524 -1.288 3.095 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.287 -1.612 4.240 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.680 -0.766 2.789 1.00 0.00 N ATOM 0 H ASN A 76 14.290 -3.906 3.496 1.00 0.00 H new ATOM 0 HA ASN A 76 14.820 -3.162 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.835 -1.045 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.563 -0.940 2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.386 -0.630 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.878 -0.494 1.826 1.00 0.00 H new ATOM 1275 N SER A 77 17.477 -3.376 1.561 1.00 0.00 N ATOM 1276 CA SER A 77 18.742 -4.147 1.706 1.00 0.00 C ATOM 1277 C SER A 77 19.063 -4.451 3.175 1.00 0.00 C ATOM 1278 O SER A 77 19.966 -5.215 3.460 1.00 0.00 O ATOM 1279 CB SER A 77 19.811 -3.240 1.094 1.00 0.00 C ATOM 1280 OG SER A 77 21.063 -3.482 1.724 1.00 0.00 O ATOM 0 H SER A 77 17.580 -2.467 1.109 1.00 0.00 H new ATOM 0 HA SER A 77 18.680 -5.119 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.890 -3.426 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.528 -2.195 1.216 1.00 0.00 H new ATOM 0 HG SER A 77 21.746 -2.900 1.329 1.00 0.00 H new ATOM 1286 N GLU A 78 18.357 -3.875 4.114 1.00 0.00 N ATOM 1287 CA GLU A 78 18.689 -4.178 5.544 1.00 0.00 C ATOM 1288 C GLU A 78 17.644 -3.630 6.523 1.00 0.00 C ATOM 1289 O GLU A 78 17.935 -3.420 7.685 1.00 0.00 O ATOM 1290 CB GLU A 78 20.042 -3.509 5.789 1.00 0.00 C ATOM 1291 CG GLU A 78 19.994 -2.046 5.340 1.00 0.00 C ATOM 1292 CD GLU A 78 20.878 -1.865 4.104 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.937 -2.468 4.065 1.00 0.00 O ATOM 1294 OE2 GLU A 78 20.480 -1.127 3.218 1.00 0.00 O ATOM 0 H GLU A 78 17.585 -3.225 3.963 1.00 0.00 H new ATOM 0 HA GLU A 78 18.709 -5.255 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.298 -3.565 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.823 -4.039 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.968 -1.757 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.337 -1.396 6.145 1.00 0.00 H new ATOM 1301 N GLY A 79 16.437 -3.412 6.088 1.00 0.00 N ATOM 1302 CA GLY A 79 15.402 -2.897 7.036 1.00 0.00 C ATOM 1303 C GLY A 79 14.037 -3.466 6.653 1.00 0.00 C ATOM 1304 O GLY A 79 13.667 -3.482 5.502 1.00 0.00 O ATOM 0 H GLY A 79 16.120 -3.564 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.654 -3.182 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.376 -1.808 7.007 1.00 0.00 H new ATOM 1308 N LYS A 80 13.286 -3.948 7.604 1.00 0.00 N ATOM 1309 CA LYS A 80 11.953 -4.527 7.267 1.00 0.00 C ATOM 1310 C LYS A 80 10.847 -3.890 8.124 1.00 0.00 C ATOM 1311 O LYS A 80 10.617 -4.288 9.249 1.00 0.00 O ATOM 1312 CB LYS A 80 12.086 -6.013 7.603 1.00 0.00 C ATOM 1313 CG LYS A 80 11.333 -6.845 6.564 1.00 0.00 C ATOM 1314 CD LYS A 80 12.208 -7.018 5.322 1.00 0.00 C ATOM 1315 CE LYS A 80 12.790 -8.433 5.299 1.00 0.00 C ATOM 1316 NZ LYS A 80 13.456 -8.552 3.972 1.00 0.00 N ATOM 0 H LYS A 80 13.534 -3.967 8.593 1.00 0.00 H new ATOM 0 HA LYS A 80 11.682 -4.351 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.138 -6.299 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.687 -6.208 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.075 -7.819 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.397 -6.354 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.619 -6.841 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.013 -6.283 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.500 -8.581 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.009 -9.184 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.880 -9.497 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.754 -8.413 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.199 -7.829 3.891 1.00 0.00 H new ATOM 1330 N GLN A 81 10.153 -2.915 7.600 1.00 0.00 N ATOM 1331 CA GLN A 81 9.054 -2.269 8.387 1.00 0.00 C ATOM 1332 C GLN A 81 7.754 -2.259 7.574 1.00 0.00 C ATOM 1333 O GLN A 81 7.744 -2.571 6.404 1.00 0.00 O ATOM 1334 CB GLN A 81 9.527 -0.842 8.661 1.00 0.00 C ATOM 1335 CG GLN A 81 8.551 -0.170 9.629 1.00 0.00 C ATOM 1336 CD GLN A 81 9.137 1.151 10.126 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.337 1.336 10.129 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.331 2.082 10.553 1.00 0.00 N ATOM 0 H GLN A 81 10.297 -2.536 6.664 1.00 0.00 H new ATOM 0 HA GLN A 81 8.848 -2.807 9.312 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.531 -0.853 9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.582 -0.278 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.598 0.009 9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.351 -0.830 10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.323 1.925 10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.708 2.968 10.890 1.00 0.00 H new ATOM 1347 N GLU A 82 6.651 -1.918 8.182 1.00 0.00 N ATOM 1348 CA GLU A 82 5.366 -1.913 7.420 1.00 0.00 C ATOM 1349 C GLU A 82 4.392 -0.878 7.976 1.00 0.00 C ATOM 1350 O GLU A 82 4.592 -0.299 9.026 1.00 0.00 O ATOM 1351 CB GLU A 82 4.800 -3.320 7.604 1.00 0.00 C ATOM 1352 CG GLU A 82 4.579 -3.592 9.094 1.00 0.00 C ATOM 1353 CD GLU A 82 3.623 -4.774 9.261 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.589 -4.773 8.613 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.941 -5.662 10.036 1.00 0.00 O ATOM 0 H GLU A 82 6.581 -1.645 9.162 1.00 0.00 H new ATOM 0 HA GLU A 82 5.522 -1.654 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.859 -3.418 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.487 -4.057 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.530 -3.809 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.168 -2.707 9.579 1.00 0.00 H new ATOM 1362 N ALA A 83 3.327 -0.668 7.264 1.00 0.00 N ATOM 1363 CA ALA A 83 2.284 0.295 7.691 1.00 0.00 C ATOM 1364 C ALA A 83 0.942 -0.419 7.604 1.00 0.00 C ATOM 1365 O ALA A 83 0.778 -1.318 6.803 1.00 0.00 O ATOM 1366 CB ALA A 83 2.362 1.434 6.675 1.00 0.00 C ATOM 0 H ALA A 83 3.131 -1.137 6.380 1.00 0.00 H new ATOM 0 HA ALA A 83 2.411 0.670 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.619 2.192 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.357 1.879 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.166 1.044 5.676 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.014 -0.063 8.410 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.313 -0.780 8.328 1.00 0.00 C ATOM 1374 C GLU A 84 -2.482 0.196 8.185 1.00 0.00 C ATOM 1375 O GLU A 84 -2.518 1.250 8.789 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.420 -1.562 9.638 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.814 -2.955 9.452 1.00 0.00 C ATOM 1378 CD GLU A 84 -1.833 -3.874 8.772 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.774 -3.357 8.193 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -1.649 -5.079 8.832 1.00 0.00 O ATOM 0 H GLU A 84 0.043 0.678 9.109 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.356 -1.430 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.899 -1.031 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.464 -1.645 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.092 -2.891 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.525 -3.368 10.418 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.441 -0.176 7.389 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.643 0.674 7.172 1.00 0.00 C ATOM 1389 C PHE A 85 -5.749 -0.220 6.630 1.00 0.00 C ATOM 1390 O PHE A 85 -5.563 -1.408 6.489 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.224 1.710 6.126 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.734 1.009 4.879 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.647 0.403 4.006 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.364 0.967 4.595 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.188 -0.244 2.850 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.907 0.321 3.438 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.819 -0.283 2.567 1.00 0.00 C ATOM 0 H PHE A 85 -3.443 -1.053 6.868 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.003 1.162 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.067 2.357 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.438 2.349 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.704 0.434 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.659 1.433 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.892 -0.712 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.850 0.290 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.466 -0.780 1.675 1.00 0.00 H new ATOM 1407 N THR A 86 -6.890 0.318 6.319 1.00 0.00 N ATOM 1408 CA THR A 86 -7.971 -0.542 5.778 1.00 0.00 C ATOM 1409 C THR A 86 -8.820 0.234 4.773 1.00 0.00 C ATOM 1410 O THR A 86 -9.357 1.283 5.066 1.00 0.00 O ATOM 1411 CB THR A 86 -8.796 -0.971 6.992 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.405 0.171 7.579 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.886 -1.655 8.012 1.00 0.00 C ATOM 0 H THR A 86 -7.120 1.307 6.415 1.00 0.00 H new ATOM 0 HA THR A 86 -7.578 -1.406 5.242 1.00 0.00 H new ATOM 0 HB THR A 86 -9.571 -1.670 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.595 0.834 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.474 -1.961 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.426 -2.532 7.558 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.108 -0.960 8.329 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.958 -0.301 3.592 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.785 0.354 2.546 1.00 0.00 C ATOM 1423 C LEU A 87 -10.942 -0.579 2.228 1.00 0.00 C ATOM 1424 O LEU A 87 -10.729 -1.729 1.912 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.854 0.480 1.330 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.957 1.746 1.365 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -8.236 2.661 2.568 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.496 1.306 1.412 1.00 0.00 C ATOM 0 H LEU A 87 -8.525 -1.179 3.305 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.185 1.324 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.219 -0.404 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.456 0.496 0.422 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.181 2.323 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.574 3.526 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.273 2.996 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.060 2.111 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.852 2.185 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.325 0.706 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.266 0.713 0.527 1.00 0.00 H new ATOM 1440 N THR A 88 -12.159 -0.123 2.331 1.00 0.00 N ATOM 1441 CA THR A 88 -13.293 -1.052 2.053 1.00 0.00 C ATOM 1442 C THR A 88 -14.073 -0.662 0.802 1.00 0.00 C ATOM 1443 O THR A 88 -13.735 0.265 0.093 1.00 0.00 O ATOM 1444 CB THR A 88 -14.192 -1.030 3.290 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.480 -0.499 4.402 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.630 -2.469 3.599 1.00 0.00 C ATOM 0 H THR A 88 -12.416 0.830 2.589 1.00 0.00 H new ATOM 0 HA THR A 88 -12.912 -2.054 1.857 1.00 0.00 H new ATOM 0 HB THR A 88 -15.063 -0.402 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.064 -0.487 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.273 -2.473 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.178 -2.873 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.750 -3.084 3.789 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.109 -1.404 0.524 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.925 -1.150 -0.688 1.00 0.00 C ATOM 1456 C ILE A 89 -17.408 -1.319 -0.367 1.00 0.00 C ATOM 1457 O ILE A 89 -18.155 -1.868 -1.149 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.484 -2.199 -1.714 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.503 -3.612 -1.078 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -14.085 -1.852 -2.233 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.278 -3.851 -0.185 1.00 0.00 C ATOM 0 H ILE A 89 -15.426 -2.186 1.096 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.785 -0.136 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.179 -2.198 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.412 -3.733 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.531 -4.365 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.772 -2.599 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.105 -0.870 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.381 -1.840 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.329 -4.853 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.370 -3.756 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.264 -3.114 0.618 1.00 0.00 H new ATOM 1473 N GLN A 90 -17.805 -0.844 0.790 1.00 0.00 N ATOM 1474 CA GLN A 90 -19.236 -0.919 1.275 1.00 0.00 C ATOM 1475 C GLN A 90 -20.224 -1.382 0.195 1.00 0.00 C ATOM 1476 O GLN A 90 -20.799 -0.582 -0.507 1.00 0.00 O ATOM 1477 CB GLN A 90 -19.565 0.519 1.681 1.00 0.00 C ATOM 1478 CG GLN A 90 -20.633 0.527 2.779 1.00 0.00 C ATOM 1479 CD GLN A 90 -21.868 -0.252 2.318 1.00 0.00 C ATOM 1480 OE1 GLN A 90 -22.458 0.064 1.305 1.00 0.00 O ATOM 1481 NE2 GLN A 90 -22.287 -1.266 3.025 1.00 0.00 N ATOM 0 H GLN A 90 -17.175 -0.388 1.449 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.329 -1.648 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -18.664 1.020 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -19.919 1.077 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -20.232 0.082 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -20.910 1.553 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -21.793 -1.533 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.109 -1.791 2.726 1.00 0.00 H new ATOM 1490 N LYS A 91 -20.424 -2.661 0.063 1.00 0.00 N ATOM 1491 CA LYS A 91 -21.378 -3.168 -0.967 1.00 0.00 C ATOM 1492 C LYS A 91 -21.865 -4.570 -0.585 1.00 0.00 C ATOM 1493 O LYS A 91 -21.140 -5.258 0.114 1.00 0.00 O ATOM 1494 CB LYS A 91 -20.572 -3.212 -2.267 1.00 0.00 C ATOM 1495 CG LYS A 91 -21.423 -3.827 -3.383 1.00 0.00 C ATOM 1496 CD LYS A 91 -20.516 -4.264 -4.535 1.00 0.00 C ATOM 1497 CE LYS A 91 -20.718 -3.329 -5.729 1.00 0.00 C ATOM 1498 NZ LYS A 91 -19.390 -2.688 -5.945 1.00 0.00 N ATOM 1499 OXT LYS A 91 -22.954 -4.929 -1.000 1.00 0.00 O ATOM 0 H LYS A 91 -19.969 -3.381 0.624 1.00 0.00 H new ATOM 0 HA LYS A 91 -22.263 -2.538 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.260 -2.206 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.664 -3.798 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.980 -4.682 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.155 -3.102 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.473 -4.245 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.744 -5.291 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -21.038 -3.881 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.487 -2.585 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.492 -1.892 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.021 -2.340 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.729 -3.385 -6.343 1.00 0.00 H new TER 1513 LYS A 91