USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Single : A 30 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.7!) USER MOD Single : A 43 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.1!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.288 X(o=0.29,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc=-0.00274 (180deg=-0.078) USER MOD Single : A 60 THR OG1 : rot 67:sc= 1.05 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.00808) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc=-0.000394 (180deg=-0.0862) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 75 SER OG : rot 93:sc= 0.0111 USER MOD Single : A 79 TYR OH : rot -158:sc= 0.894 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 81 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.77) USER MOD Single : A 90 MET CE :methyl -159:sc= -0.182 (180deg=-0.785) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 33.696 -4.522 -5.863 1.00 0.00 N ATOM 2 CA ASP A 28 32.714 -3.928 -4.947 1.00 0.00 C ATOM 3 C ASP A 28 31.888 -2.914 -5.672 1.00 0.00 C ATOM 4 O ASP A 28 32.413 -1.895 -6.129 1.00 0.00 O ATOM 5 CB ASP A 28 33.404 -3.268 -3.744 1.00 0.00 C ATOM 6 CG ASP A 28 32.473 -2.556 -2.812 1.00 0.00 C ATOM 7 OD1 ASP A 28 31.816 -3.224 -1.989 1.00 0.00 O ATOM 8 OD2 ASP A 28 32.412 -1.320 -2.862 1.00 0.00 O ATOM 0 HA ASP A 28 32.071 -4.727 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 28 33.944 -4.033 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 28 34.146 -2.558 -4.110 1.00 0.00 H new ATOM 13 N PRO A 29 30.591 -3.193 -5.849 1.00 0.00 N ATOM 14 CA PRO A 29 29.659 -2.241 -6.449 1.00 0.00 C ATOM 15 C PRO A 29 29.597 -0.972 -5.613 1.00 0.00 C ATOM 16 O PRO A 29 29.952 -0.988 -4.433 1.00 0.00 O ATOM 17 CB PRO A 29 28.305 -2.962 -6.388 1.00 0.00 C ATOM 18 CG PRO A 29 28.634 -4.405 -6.235 1.00 0.00 C ATOM 19 CD PRO A 29 29.932 -4.466 -5.497 1.00 0.00 C ATOM 0 HA PRO A 29 29.947 -1.951 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 29 27.706 -2.604 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.724 -2.785 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 29 27.850 -4.926 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.717 -4.890 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 29 29.778 -4.554 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 29 30.528 -5.325 -5.805 1.00 0.00 H new ATOM 27 N ASN A 30 29.111 0.107 -6.209 1.00 0.00 N ATOM 28 CA ASN A 30 29.014 1.400 -5.582 1.00 0.00 C ATOM 29 C ASN A 30 28.242 1.360 -4.263 1.00 0.00 C ATOM 30 O ASN A 30 28.369 2.270 -3.431 1.00 0.00 O ATOM 31 CB ASN A 30 28.401 2.373 -6.558 1.00 0.00 C ATOM 32 CG ASN A 30 29.321 2.721 -7.732 1.00 0.00 C ATOM 33 OD1 ASN A 30 30.168 1.923 -8.150 1.00 0.00 O ATOM 34 ND2 ASN A 30 29.157 3.899 -8.276 1.00 0.00 N ATOM 0 H ASN A 30 28.766 0.098 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 30 30.019 1.732 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 30 27.474 1.951 -6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 30 28.138 3.289 -6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 30 29.736 4.181 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 30 28.450 4.536 -7.909 1.00 0.00 H new ATOM 41 N ALA A 31 27.435 0.313 -4.100 1.00 0.00 N ATOM 42 CA ALA A 31 26.756 -0.001 -2.862 1.00 0.00 C ATOM 43 C ALA A 31 25.732 1.059 -2.464 1.00 0.00 C ATOM 44 O ALA A 31 25.995 1.917 -1.625 1.00 0.00 O ATOM 45 CB ALA A 31 27.770 -0.304 -1.732 1.00 0.00 C ATOM 0 H ALA A 31 27.236 -0.351 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 31 26.180 -0.910 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.232 -0.537 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.388 -1.156 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 31 28.405 0.567 -1.570 1.00 0.00 H new ATOM 51 N GLU A 32 24.591 1.038 -3.136 1.00 0.00 N ATOM 52 CA GLU A 32 23.507 1.951 -2.861 1.00 0.00 C ATOM 53 C GLU A 32 22.757 1.518 -1.602 1.00 0.00 C ATOM 54 O GLU A 32 22.133 2.319 -0.913 1.00 0.00 O ATOM 55 CB GLU A 32 22.542 1.969 -4.049 1.00 0.00 C ATOM 56 CG GLU A 32 21.850 0.630 -4.323 1.00 0.00 C ATOM 57 CD GLU A 32 20.906 0.683 -5.494 1.00 0.00 C ATOM 58 OE1 GLU A 32 19.791 1.219 -5.354 1.00 0.00 O ATOM 59 OE2 GLU A 32 21.260 0.173 -6.573 1.00 0.00 O ATOM 0 H GLU A 32 24.396 0.380 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 32 23.916 2.949 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.780 2.728 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 32 23.090 2.270 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.607 -0.132 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 32 21.300 0.323 -3.434 1.00 0.00 H new ATOM 66 N PHE A 33 22.842 0.252 -1.334 1.00 0.00 N ATOM 67 CA PHE A 33 22.156 -0.383 -0.236 1.00 0.00 C ATOM 68 C PHE A 33 22.898 -0.201 1.077 1.00 0.00 C ATOM 69 O PHE A 33 24.131 -0.048 1.108 1.00 0.00 O ATOM 70 CB PHE A 33 21.967 -1.884 -0.540 1.00 0.00 C ATOM 71 CG PHE A 33 23.262 -2.617 -0.815 1.00 0.00 C ATOM 72 CD1 PHE A 33 23.824 -2.602 -2.085 1.00 0.00 C ATOM 73 CD2 PHE A 33 23.922 -3.303 0.194 1.00 0.00 C ATOM 74 CE1 PHE A 33 25.009 -3.250 -2.341 1.00 0.00 C ATOM 75 CE2 PHE A 33 25.112 -3.953 -0.062 1.00 0.00 C ATOM 76 CZ PHE A 33 25.653 -3.923 -1.331 1.00 0.00 C ATOM 0 H PHE A 33 23.406 -0.394 -1.886 1.00 0.00 H new ATOM 0 HA PHE A 33 21.182 0.094 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 33 21.465 -2.356 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.309 -1.991 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 33 23.323 -2.074 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.501 -3.329 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 33 25.433 -3.230 -3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 33 25.619 -4.484 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 33 26.585 -4.430 -1.531 1.00 0.00 H new ATOM 86 N ASP A 34 22.147 -0.206 2.142 1.00 0.00 N ATOM 87 CA ASP A 34 22.687 -0.145 3.478 1.00 0.00 C ATOM 88 C ASP A 34 22.394 -1.471 4.140 1.00 0.00 C ATOM 89 O ASP A 34 21.235 -1.805 4.348 1.00 0.00 O ATOM 90 CB ASP A 34 22.030 0.979 4.271 1.00 0.00 C ATOM 91 CG ASP A 34 22.613 1.135 5.658 1.00 0.00 C ATOM 92 OD1 ASP A 34 22.166 0.448 6.588 1.00 0.00 O ATOM 93 OD2 ASP A 34 23.522 1.971 5.826 1.00 0.00 O ATOM 0 H ASP A 34 21.129 -0.253 2.110 1.00 0.00 H new ATOM 0 HA ASP A 34 23.759 0.051 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.144 1.916 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.961 0.784 4.351 1.00 0.00 H new ATOM 98 N PRO A 35 23.420 -2.252 4.472 1.00 0.00 N ATOM 99 CA PRO A 35 23.242 -3.615 5.008 1.00 0.00 C ATOM 100 C PRO A 35 22.684 -3.644 6.428 1.00 0.00 C ATOM 101 O PRO A 35 22.297 -4.702 6.932 1.00 0.00 O ATOM 102 CB PRO A 35 24.657 -4.181 4.974 1.00 0.00 C ATOM 103 CG PRO A 35 25.519 -2.981 5.151 1.00 0.00 C ATOM 104 CD PRO A 35 24.848 -1.892 4.370 1.00 0.00 C ATOM 0 HA PRO A 35 22.515 -4.183 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.816 -4.910 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.864 -4.687 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.608 -2.712 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.528 -3.164 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.049 -0.908 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.187 -1.869 3.334 1.00 0.00 H new ATOM 112 N ASP A 36 22.635 -2.504 7.060 1.00 0.00 N ATOM 113 CA ASP A 36 22.134 -2.421 8.408 1.00 0.00 C ATOM 114 C ASP A 36 20.642 -2.151 8.388 1.00 0.00 C ATOM 115 O ASP A 36 19.899 -2.582 9.278 1.00 0.00 O ATOM 116 CB ASP A 36 22.883 -1.347 9.186 1.00 0.00 C ATOM 117 CG ASP A 36 22.412 -1.211 10.616 1.00 0.00 C ATOM 118 OD1 ASP A 36 22.736 -2.104 11.452 1.00 0.00 O ATOM 119 OD2 ASP A 36 21.718 -0.223 10.931 1.00 0.00 O ATOM 0 H ASP A 36 22.937 -1.614 6.663 1.00 0.00 H new ATOM 0 HA ASP A 36 22.300 -3.373 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.948 -1.580 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.764 -0.390 8.678 1.00 0.00 H new ATOM 124 N LEU A 37 20.203 -1.474 7.364 1.00 0.00 N ATOM 125 CA LEU A 37 18.800 -1.177 7.190 1.00 0.00 C ATOM 126 C LEU A 37 18.054 -2.385 6.629 1.00 0.00 C ATOM 127 O LEU A 37 18.609 -3.146 5.828 1.00 0.00 O ATOM 128 CB LEU A 37 18.594 0.035 6.279 1.00 0.00 C ATOM 129 CG LEU A 37 19.096 1.380 6.801 1.00 0.00 C ATOM 130 CD1 LEU A 37 18.826 2.466 5.784 1.00 0.00 C ATOM 131 CD2 LEU A 37 18.436 1.725 8.129 1.00 0.00 C ATOM 0 H LEU A 37 20.804 -1.111 6.624 1.00 0.00 H new ATOM 0 HA LEU A 37 18.394 -0.938 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.088 -0.166 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.528 0.127 6.072 1.00 0.00 H new ATOM 0 HG LEU A 37 20.171 1.306 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.188 3.421 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.341 2.229 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.754 2.532 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.809 2.687 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.356 1.782 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.670 0.954 8.863 1.00 0.00 H new ATOM 143 N PRO A 38 16.793 -2.589 7.056 1.00 0.00 N ATOM 144 CA PRO A 38 15.967 -3.698 6.580 1.00 0.00 C ATOM 145 C PRO A 38 15.808 -3.684 5.062 1.00 0.00 C ATOM 146 O PRO A 38 15.360 -2.682 4.473 1.00 0.00 O ATOM 147 CB PRO A 38 14.614 -3.466 7.266 1.00 0.00 C ATOM 148 CG PRO A 38 14.938 -2.643 8.460 1.00 0.00 C ATOM 149 CD PRO A 38 16.071 -1.760 8.045 1.00 0.00 C ATOM 0 HA PRO A 38 16.411 -4.666 6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.917 -2.950 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.146 -4.409 7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.077 -2.054 8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.220 -3.272 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.716 -0.827 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.706 -1.495 8.890 1.00 0.00 H new ATOM 157 N GLY A 39 16.226 -4.773 4.431 1.00 0.00 N ATOM 158 CA GLY A 39 16.120 -4.910 2.991 1.00 0.00 C ATOM 159 C GLY A 39 17.059 -3.982 2.272 1.00 0.00 C ATOM 160 O GLY A 39 16.772 -3.534 1.146 1.00 0.00 O ATOM 0 H GLY A 39 16.643 -5.577 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.338 -5.940 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.096 -4.703 2.680 1.00 0.00 H new ATOM 164 N GLY A 40 18.159 -3.642 2.939 1.00 0.00 N ATOM 165 CA GLY A 40 19.149 -2.751 2.372 1.00 0.00 C ATOM 166 C GLY A 40 18.656 -1.324 2.340 1.00 0.00 C ATOM 167 O GLY A 40 19.308 -0.431 1.771 1.00 0.00 O ATOM 0 H GLY A 40 18.381 -3.976 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.067 -2.807 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.395 -3.075 1.361 1.00 0.00 H new ATOM 171 N GLY A 41 17.494 -1.107 2.950 1.00 0.00 N ATOM 172 CA GLY A 41 16.859 0.178 2.932 1.00 0.00 C ATOM 173 C GLY A 41 16.218 0.458 1.585 1.00 0.00 C ATOM 174 O GLY A 41 15.713 1.549 1.342 1.00 0.00 O ATOM 0 H GLY A 41 16.980 -1.822 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.101 0.222 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.593 0.952 3.156 1.00 0.00 H new ATOM 178 N LEU A 42 16.232 -0.540 0.710 1.00 0.00 N ATOM 179 CA LEU A 42 15.729 -0.388 -0.619 1.00 0.00 C ATOM 180 C LEU A 42 14.260 -0.736 -0.708 1.00 0.00 C ATOM 181 O LEU A 42 13.507 -0.105 -1.446 1.00 0.00 O ATOM 182 CB LEU A 42 16.542 -1.242 -1.584 1.00 0.00 C ATOM 183 CG LEU A 42 18.045 -0.934 -1.677 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.713 -1.850 -2.688 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.289 0.530 -2.033 1.00 0.00 C ATOM 0 H LEU A 42 16.595 -1.470 0.917 1.00 0.00 H new ATOM 0 HA LEU A 42 15.829 0.661 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.426 -2.287 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.110 -1.136 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 42 18.487 -1.116 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.777 -1.619 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.582 -2.888 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.260 -1.702 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.361 0.716 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.829 0.752 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.851 1.169 -1.266 1.00 0.00 H new ATOM 197 N HIS A 43 13.845 -1.711 0.054 1.00 0.00 N ATOM 198 CA HIS A 43 12.470 -2.155 0.005 1.00 0.00 C ATOM 199 C HIS A 43 11.716 -1.449 1.062 1.00 0.00 C ATOM 200 O HIS A 43 11.735 -1.835 2.228 1.00 0.00 O ATOM 201 CB HIS A 43 12.295 -3.663 0.174 1.00 0.00 C ATOM 202 CG HIS A 43 13.084 -4.504 -0.784 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.637 -4.833 -2.040 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.286 -5.112 -0.646 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.517 -5.613 -2.630 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.531 -5.794 -1.806 1.00 0.00 N ATOM 0 H HIS A 43 14.434 -2.215 0.716 1.00 0.00 H new ATOM 0 HA HIS A 43 12.092 -1.921 -0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.578 -3.935 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.238 -3.906 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.931 -5.067 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.425 -6.034 -3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.362 -6.352 -2.002 1.00 0.00 H new ATOM 215 N ARG A 44 11.127 -0.395 0.682 1.00 0.00 N ATOM 216 CA ARG A 44 10.389 0.408 1.578 1.00 0.00 C ATOM 217 C ARG A 44 9.146 0.917 0.937 1.00 0.00 C ATOM 218 O ARG A 44 9.044 1.002 -0.288 1.00 0.00 O ATOM 219 CB ARG A 44 11.244 1.588 2.031 1.00 0.00 C ATOM 220 CG ARG A 44 11.738 2.475 0.893 1.00 0.00 C ATOM 221 CD ARG A 44 12.703 3.557 1.362 1.00 0.00 C ATOM 222 NE ARG A 44 12.156 4.420 2.425 1.00 0.00 N ATOM 223 CZ ARG A 44 11.910 5.737 2.295 1.00 0.00 C ATOM 224 NH1 ARG A 44 11.964 6.318 1.103 1.00 0.00 N ATOM 225 NH2 ARG A 44 11.605 6.464 3.350 1.00 0.00 N ATOM 0 H ARG A 44 11.139 -0.052 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 44 10.112 -0.203 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.665 2.196 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.105 1.208 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.231 1.856 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.883 2.944 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.616 3.085 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.981 4.177 0.510 1.00 0.00 H new ATOM 0 HE ARG A 44 11.949 3.987 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.193 5.766 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.776 7.317 1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.554 6.029 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.420 7.462 3.246 1.00 0.00 H new ATOM 239 N CYS A 45 8.215 1.232 1.748 1.00 0.00 N ATOM 240 CA CYS A 45 7.022 1.900 1.304 1.00 0.00 C ATOM 241 C CYS A 45 7.283 3.348 1.537 1.00 0.00 C ATOM 242 O CYS A 45 7.497 3.752 2.676 1.00 0.00 O ATOM 243 CB CYS A 45 5.776 1.410 2.072 1.00 0.00 C ATOM 244 SG CYS A 45 4.211 2.323 1.737 1.00 0.00 S ATOM 0 H CYS A 45 8.243 1.040 2.749 1.00 0.00 H new ATOM 0 HA CYS A 45 6.807 1.693 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.618 0.358 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.986 1.468 3.140 1.00 0.00 H new ATOM 249 N LEU A 46 7.299 4.113 0.480 1.00 0.00 N ATOM 250 CA LEU A 46 7.699 5.511 0.535 1.00 0.00 C ATOM 251 C LEU A 46 6.777 6.312 1.446 1.00 0.00 C ATOM 252 O LEU A 46 7.241 7.058 2.297 1.00 0.00 O ATOM 253 CB LEU A 46 7.731 6.093 -0.886 1.00 0.00 C ATOM 254 CG LEU A 46 8.633 5.369 -1.883 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.532 5.989 -3.262 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.076 5.349 -1.417 1.00 0.00 C ATOM 0 H LEU A 46 7.036 3.792 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 46 8.700 5.576 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.715 6.095 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.051 7.133 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 46 8.284 4.338 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.185 5.453 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.503 5.926 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.836 7.035 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.688 4.826 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.437 6.372 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.142 4.835 -0.458 1.00 0.00 H new ATOM 268 N ALA A 47 5.484 6.081 1.307 1.00 0.00 N ATOM 269 CA ALA A 47 4.478 6.791 2.085 1.00 0.00 C ATOM 270 C ALA A 47 4.566 6.469 3.579 1.00 0.00 C ATOM 271 O ALA A 47 4.135 7.265 4.414 1.00 0.00 O ATOM 272 CB ALA A 47 3.092 6.485 1.562 1.00 0.00 C ATOM 0 H ALA A 47 5.100 5.398 0.654 1.00 0.00 H new ATOM 0 HA ALA A 47 4.677 7.857 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.352 7.024 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.019 6.797 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.904 5.414 1.634 1.00 0.00 H new ATOM 278 N CYS A 48 5.109 5.305 3.915 1.00 0.00 N ATOM 279 CA CYS A 48 5.253 4.935 5.312 1.00 0.00 C ATOM 280 C CYS A 48 6.654 5.175 5.824 1.00 0.00 C ATOM 281 O CYS A 48 6.879 5.215 7.035 1.00 0.00 O ATOM 282 CB CYS A 48 4.775 3.491 5.586 1.00 0.00 C ATOM 283 SG CYS A 48 3.080 3.292 5.264 1.00 0.00 S ATOM 0 H CYS A 48 5.451 4.613 3.249 1.00 0.00 H new ATOM 0 HA CYS A 48 4.595 5.595 5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.345 2.797 4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.979 3.233 6.625 1.00 0.00 H new ATOM 288 N ALA A 49 7.594 5.338 4.889 1.00 0.00 N ATOM 289 CA ALA A 49 9.010 5.562 5.180 1.00 0.00 C ATOM 290 C ALA A 49 9.606 4.398 5.989 1.00 0.00 C ATOM 291 O ALA A 49 10.653 4.522 6.612 1.00 0.00 O ATOM 292 CB ALA A 49 9.202 6.896 5.904 1.00 0.00 C ATOM 0 H ALA A 49 7.387 5.317 3.890 1.00 0.00 H new ATOM 0 HA ALA A 49 9.548 5.607 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.261 7.047 6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.837 7.707 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.645 6.885 6.841 1.00 0.00 H new ATOM 298 N ARG A 50 8.971 3.251 5.914 1.00 0.00 N ATOM 299 CA ARG A 50 9.404 2.106 6.680 1.00 0.00 C ATOM 300 C ARG A 50 10.088 1.136 5.776 1.00 0.00 C ATOM 301 O ARG A 50 9.714 1.002 4.610 1.00 0.00 O ATOM 302 CB ARG A 50 8.225 1.432 7.371 1.00 0.00 C ATOM 303 CG ARG A 50 7.437 2.353 8.290 1.00 0.00 C ATOM 304 CD ARG A 50 8.312 2.958 9.376 1.00 0.00 C ATOM 305 NE ARG A 50 8.887 1.936 10.241 1.00 0.00 N ATOM 306 CZ ARG A 50 9.883 2.133 11.102 1.00 0.00 C ATOM 307 NH1 ARG A 50 10.476 3.323 11.179 1.00 0.00 N ATOM 308 NH2 ARG A 50 10.282 1.139 11.887 1.00 0.00 N ATOM 0 H ARG A 50 8.152 3.086 5.329 1.00 0.00 H new ATOM 0 HA ARG A 50 10.098 2.444 7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.553 1.031 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.593 0.585 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.985 3.152 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.622 1.795 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.113 3.538 8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.721 3.650 9.975 1.00 0.00 H new ATOM 0 HE ARG A 50 8.496 0.996 10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.167 4.087 10.577 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.239 3.471 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.826 0.229 11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.045 1.286 12.548 1.00 0.00 H new ATOM 322 N TYR A 51 11.072 0.462 6.307 1.00 0.00 N ATOM 323 CA TYR A 51 11.892 -0.417 5.557 1.00 0.00 C ATOM 324 C TYR A 51 11.516 -1.850 5.861 1.00 0.00 C ATOM 325 O TYR A 51 11.218 -2.192 7.017 1.00 0.00 O ATOM 326 CB TYR A 51 13.332 -0.181 5.969 1.00 0.00 C ATOM 327 CG TYR A 51 13.800 1.253 5.825 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.153 1.769 4.592 1.00 0.00 C ATOM 329 CD2 TYR A 51 13.886 2.090 6.933 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.575 3.075 4.460 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.309 3.397 6.810 1.00 0.00 C ATOM 332 CZ TYR A 51 14.651 3.882 5.571 1.00 0.00 C ATOM 333 OH TYR A 51 15.061 5.184 5.434 1.00 0.00 O ATOM 0 H TYR A 51 11.322 0.518 7.294 1.00 0.00 H new ATOM 0 HA TYR A 51 11.762 -0.234 4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.454 -0.487 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.978 -0.823 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.097 1.138 3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 51 13.617 1.709 7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.845 3.462 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.371 4.034 7.680 1.00 0.00 H new ATOM 0 HH TYR A 51 15.060 5.621 6.311 1.00 0.00 H new ATOM 343 N PHE A 52 11.525 -2.673 4.852 1.00 0.00 N ATOM 344 CA PHE A 52 11.169 -4.064 4.986 1.00 0.00 C ATOM 345 C PHE A 52 12.319 -4.920 4.550 1.00 0.00 C ATOM 346 O PHE A 52 13.052 -4.558 3.627 1.00 0.00 O ATOM 347 CB PHE A 52 9.946 -4.392 4.145 1.00 0.00 C ATOM 348 CG PHE A 52 8.721 -3.616 4.514 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.543 -2.322 4.053 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.745 -4.177 5.311 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.420 -1.607 4.379 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.620 -3.465 5.641 1.00 0.00 C ATOM 353 CZ PHE A 52 6.459 -2.176 5.171 1.00 0.00 C ATOM 0 H PHE A 52 11.781 -2.399 3.903 1.00 0.00 H new ATOM 0 HA PHE A 52 10.935 -4.262 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.179 -4.205 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.730 -5.456 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.299 -1.870 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.868 -5.185 5.678 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.294 -0.599 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.862 -3.911 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.573 -1.616 5.429 1.00 0.00 H new ATOM 363 N ILE A 53 12.459 -6.060 5.190 1.00 0.00 N ATOM 364 CA ILE A 53 13.548 -6.968 4.944 1.00 0.00 C ATOM 365 C ILE A 53 13.507 -7.566 3.539 1.00 0.00 C ATOM 366 O ILE A 53 14.530 -8.002 3.012 1.00 0.00 O ATOM 367 CB ILE A 53 13.572 -8.093 5.988 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.265 -8.899 5.957 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.827 -7.518 7.375 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.229 -10.058 6.923 1.00 0.00 C ATOM 0 H ILE A 53 11.808 -6.383 5.906 1.00 0.00 H new ATOM 0 HA ILE A 53 14.462 -6.380 5.026 1.00 0.00 H new ATOM 0 HB ILE A 53 14.386 -8.775 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.434 -8.230 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.109 -9.278 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.842 -8.326 8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.787 -7.002 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.035 -6.814 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.272 -10.574 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.037 -10.751 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.351 -9.687 7.941 1.00 0.00 H new ATOM 382 N ASP A 54 12.343 -7.588 2.938 1.00 0.00 N ATOM 383 CA ASP A 54 12.196 -8.103 1.594 1.00 0.00 C ATOM 384 C ASP A 54 11.035 -7.453 0.902 1.00 0.00 C ATOM 385 O ASP A 54 10.203 -6.793 1.544 1.00 0.00 O ATOM 386 CB ASP A 54 12.079 -9.643 1.546 1.00 0.00 C ATOM 387 CG ASP A 54 10.900 -10.207 2.302 1.00 0.00 C ATOM 388 OD1 ASP A 54 9.788 -10.198 1.782 1.00 0.00 O ATOM 389 OD2 ASP A 54 11.080 -10.668 3.424 1.00 0.00 O ATOM 0 H ASP A 54 11.477 -7.253 3.360 1.00 0.00 H new ATOM 0 HA ASP A 54 13.112 -7.849 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.010 -9.957 0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.994 -10.077 1.950 1.00 0.00 H new ATOM 394 N SER A 55 10.972 -7.629 -0.400 1.00 0.00 N ATOM 395 CA SER A 55 9.949 -7.022 -1.210 1.00 0.00 C ATOM 396 C SER A 55 8.600 -7.706 -0.984 1.00 0.00 C ATOM 397 O SER A 55 7.552 -7.090 -1.147 1.00 0.00 O ATOM 398 CB SER A 55 10.368 -7.049 -2.699 1.00 0.00 C ATOM 399 OG SER A 55 9.414 -6.412 -3.532 1.00 0.00 O ATOM 0 H SER A 55 11.634 -8.201 -0.925 1.00 0.00 H new ATOM 0 HA SER A 55 9.832 -5.980 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.334 -6.557 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.497 -8.083 -3.020 1.00 0.00 H new ATOM 0 HG SER A 55 9.716 -6.449 -4.463 1.00 0.00 H new ATOM 405 N THR A 56 8.629 -8.960 -0.571 1.00 0.00 N ATOM 406 CA THR A 56 7.416 -9.687 -0.318 1.00 0.00 C ATOM 407 C THR A 56 6.722 -9.144 0.948 1.00 0.00 C ATOM 408 O THR A 56 5.515 -8.923 0.946 1.00 0.00 O ATOM 409 CB THR A 56 7.688 -11.190 -0.212 1.00 0.00 C ATOM 410 OG1 THR A 56 8.334 -11.638 -1.425 1.00 0.00 O ATOM 411 CG2 THR A 56 6.401 -11.976 -0.008 1.00 0.00 C ATOM 0 H THR A 56 9.485 -9.490 -0.406 1.00 0.00 H new ATOM 0 HA THR A 56 6.741 -9.541 -1.161 1.00 0.00 H new ATOM 0 HB THR A 56 8.331 -11.363 0.651 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.513 -12.600 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.631 -13.039 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.916 -11.648 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.733 -11.805 -0.852 1.00 0.00 H new ATOM 419 N ASN A 57 7.505 -8.897 2.006 1.00 0.00 N ATOM 420 CA ASN A 57 7.014 -8.282 3.227 1.00 0.00 C ATOM 421 C ASN A 57 6.410 -6.933 2.931 1.00 0.00 C ATOM 422 O ASN A 57 5.315 -6.606 3.397 1.00 0.00 O ATOM 423 CB ASN A 57 8.141 -8.127 4.254 1.00 0.00 C ATOM 424 CG ASN A 57 8.205 -9.239 5.282 1.00 0.00 C ATOM 425 OD1 ASN A 57 7.546 -9.161 6.314 1.00 0.00 O ATOM 426 ND2 ASN A 57 9.018 -10.236 5.061 1.00 0.00 N ATOM 0 H ASN A 57 8.500 -9.122 2.030 1.00 0.00 H new ATOM 0 HA ASN A 57 6.247 -8.935 3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.094 -8.080 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.017 -7.176 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.118 -10.976 5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.553 -10.275 4.194 1.00 0.00 H new ATOM 433 N LEU A 58 7.120 -6.169 2.141 1.00 0.00 N ATOM 434 CA LEU A 58 6.681 -4.868 1.711 1.00 0.00 C ATOM 435 C LEU A 58 5.368 -4.964 0.923 1.00 0.00 C ATOM 436 O LEU A 58 4.419 -4.225 1.179 1.00 0.00 O ATOM 437 CB LEU A 58 7.842 -4.177 0.936 1.00 0.00 C ATOM 438 CG LEU A 58 7.573 -2.863 0.198 1.00 0.00 C ATOM 439 CD1 LEU A 58 6.947 -3.100 -1.148 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.733 -1.931 1.043 1.00 0.00 C ATOM 0 H LEU A 58 8.033 -6.438 1.773 1.00 0.00 H new ATOM 0 HA LEU A 58 6.446 -4.238 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.647 -3.994 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.219 -4.892 0.205 1.00 0.00 H new ATOM 0 HG LEU A 58 8.534 -2.380 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.771 -2.144 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.616 -3.706 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.999 -3.623 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.556 -1.005 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.779 -2.406 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.258 -1.709 1.972 1.00 0.00 H new ATOM 452 N LYS A 59 5.332 -5.855 -0.013 1.00 0.00 N ATOM 453 CA LYS A 59 4.117 -6.106 -0.800 1.00 0.00 C ATOM 454 C LYS A 59 2.926 -6.578 0.094 1.00 0.00 C ATOM 455 O LYS A 59 1.767 -6.223 -0.165 1.00 0.00 O ATOM 456 CB LYS A 59 4.405 -7.090 -1.952 1.00 0.00 C ATOM 457 CG LYS A 59 3.236 -7.308 -2.915 1.00 0.00 C ATOM 458 CD LYS A 59 3.641 -8.163 -4.121 1.00 0.00 C ATOM 459 CE LYS A 59 4.028 -9.588 -3.738 1.00 0.00 C ATOM 460 NZ LYS A 59 2.886 -10.342 -3.178 1.00 0.00 N ATOM 0 H LYS A 59 6.127 -6.439 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 59 3.808 -5.160 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.261 -6.724 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.692 -8.052 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.415 -7.792 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.866 -6.343 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.814 -8.195 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.480 -7.689 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.410 -10.108 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.837 -9.560 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.154 -11.340 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.624 -9.940 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.076 -10.277 -3.827 1.00 0.00 H new ATOM 474 N THR A 60 3.222 -7.355 1.150 1.00 0.00 N ATOM 475 CA THR A 60 2.199 -7.795 2.110 1.00 0.00 C ATOM 476 C THR A 60 1.659 -6.589 2.880 1.00 0.00 C ATOM 477 O THR A 60 0.494 -6.538 3.265 1.00 0.00 O ATOM 478 CB THR A 60 2.771 -8.825 3.098 1.00 0.00 C ATOM 479 OG1 THR A 60 3.315 -9.926 2.371 1.00 0.00 O ATOM 480 CG2 THR A 60 1.701 -9.345 4.057 1.00 0.00 C ATOM 0 H THR A 60 4.162 -7.691 1.359 1.00 0.00 H new ATOM 0 HA THR A 60 1.391 -8.268 1.552 1.00 0.00 H new ATOM 0 HB THR A 60 3.545 -8.330 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.100 -9.628 1.865 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.145 -10.070 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.290 -8.513 4.629 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.904 -9.823 3.488 1.00 0.00 H new ATOM 488 N HIS A 61 2.511 -5.619 3.070 1.00 0.00 N ATOM 489 CA HIS A 61 2.156 -4.374 3.707 1.00 0.00 C ATOM 490 C HIS A 61 1.046 -3.628 2.937 1.00 0.00 C ATOM 491 O HIS A 61 0.260 -2.897 3.527 1.00 0.00 O ATOM 492 CB HIS A 61 3.423 -3.506 3.931 1.00 0.00 C ATOM 493 CG HIS A 61 3.157 -2.064 4.200 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.579 -1.593 5.344 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.323 -0.991 3.400 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.398 -0.301 5.214 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.839 0.074 4.071 1.00 0.00 N ATOM 0 H HIS A 61 3.488 -5.669 2.783 1.00 0.00 H new ATOM 0 HA HIS A 61 1.734 -4.595 4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.985 -3.919 4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.060 -3.585 3.050 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.330 -2.151 6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.760 -0.986 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.948 0.345 5.953 1.00 0.00 H new ATOM 505 N PHE A 62 0.962 -3.821 1.630 1.00 0.00 N ATOM 506 CA PHE A 62 -0.077 -3.131 0.885 1.00 0.00 C ATOM 507 C PHE A 62 -1.330 -3.994 0.789 1.00 0.00 C ATOM 508 O PHE A 62 -2.210 -3.708 0.026 1.00 0.00 O ATOM 509 CB PHE A 62 0.352 -2.715 -0.521 1.00 0.00 C ATOM 510 CG PHE A 62 1.697 -2.089 -0.621 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.000 -0.907 0.034 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.665 -2.703 -1.366 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.264 -0.356 -0.065 1.00 0.00 C ATOM 514 CE2 PHE A 62 3.915 -2.176 -1.468 1.00 0.00 C ATOM 515 CZ PHE A 62 4.234 -1.003 -0.824 1.00 0.00 C ATOM 0 H PHE A 62 1.574 -4.425 1.081 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.284 -2.218 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.331 -3.595 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.385 -2.015 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.244 -0.413 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.433 -3.623 -1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.496 0.569 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.663 -2.683 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.228 -0.588 -0.907 1.00 0.00 H new ATOM 525 N ARG A 63 -1.404 -5.054 1.570 1.00 0.00 N ATOM 526 CA ARG A 63 -2.638 -5.849 1.612 1.00 0.00 C ATOM 527 C ARG A 63 -3.751 -5.047 2.277 1.00 0.00 C ATOM 528 O ARG A 63 -4.939 -5.357 2.136 1.00 0.00 O ATOM 529 CB ARG A 63 -2.433 -7.183 2.316 1.00 0.00 C ATOM 530 CG ARG A 63 -1.563 -8.172 1.556 1.00 0.00 C ATOM 531 CD ARG A 63 -2.232 -8.638 0.272 1.00 0.00 C ATOM 532 NE ARG A 63 -3.510 -9.311 0.537 1.00 0.00 N ATOM 533 CZ ARG A 63 -4.207 -10.022 -0.353 1.00 0.00 C ATOM 534 NH1 ARG A 63 -3.737 -10.206 -1.582 1.00 0.00 N ATOM 535 NH2 ARG A 63 -5.370 -10.569 -0.003 1.00 0.00 N ATOM 0 H ARG A 63 -0.652 -5.387 2.173 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.927 -6.074 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.984 -6.999 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.407 -7.638 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.605 -7.708 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.352 -9.033 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.400 -7.782 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.566 -9.318 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.897 -9.229 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.839 -9.803 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.274 -10.750 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.728 -10.445 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.903 -11.112 -0.682 1.00 0.00 H new ATOM 549 N SER A 64 -3.356 -4.022 3.005 1.00 0.00 N ATOM 550 CA SER A 64 -4.277 -3.114 3.592 1.00 0.00 C ATOM 551 C SER A 64 -4.744 -2.136 2.499 1.00 0.00 C ATOM 552 O SER A 64 -4.030 -1.192 2.126 1.00 0.00 O ATOM 553 CB SER A 64 -3.599 -2.387 4.747 1.00 0.00 C ATOM 554 OG SER A 64 -3.043 -3.334 5.668 1.00 0.00 O ATOM 0 H SER A 64 -2.377 -3.808 3.198 1.00 0.00 H new ATOM 0 HA SER A 64 -5.146 -3.635 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.813 -1.735 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.320 -1.750 5.259 1.00 0.00 H new ATOM 0 HG SER A 64 -2.608 -2.857 6.405 1.00 0.00 H new ATOM 560 N LYS A 65 -5.914 -2.405 1.958 1.00 0.00 N ATOM 561 CA LYS A 65 -6.478 -1.638 0.850 1.00 0.00 C ATOM 562 C LYS A 65 -6.787 -0.195 1.243 1.00 0.00 C ATOM 563 O LYS A 65 -6.814 0.701 0.386 1.00 0.00 O ATOM 564 CB LYS A 65 -7.711 -2.339 0.291 1.00 0.00 C ATOM 565 CG LYS A 65 -8.810 -2.551 1.309 1.00 0.00 C ATOM 566 CD LYS A 65 -9.965 -3.299 0.710 1.00 0.00 C ATOM 567 CE LYS A 65 -11.069 -3.492 1.723 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.206 -4.245 1.164 1.00 0.00 N ATOM 0 H LYS A 65 -6.512 -3.169 2.273 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.723 -1.590 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.106 -1.752 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.414 -3.306 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.418 -3.104 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.153 -1.587 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.349 -2.753 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.626 -4.269 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.676 -4.021 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.415 -2.519 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.941 -4.355 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.598 -3.729 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.882 -5.184 0.854 1.00 0.00 H new ATOM 582 N ASP A 66 -7.013 0.017 2.534 1.00 0.00 N ATOM 583 CA ASP A 66 -7.255 1.351 3.100 1.00 0.00 C ATOM 584 C ASP A 66 -6.081 2.264 2.767 1.00 0.00 C ATOM 585 O ASP A 66 -6.243 3.429 2.415 1.00 0.00 O ATOM 586 CB ASP A 66 -7.371 1.236 4.622 1.00 0.00 C ATOM 587 CG ASP A 66 -7.668 2.549 5.319 1.00 0.00 C ATOM 588 OD1 ASP A 66 -6.743 3.370 5.520 1.00 0.00 O ATOM 589 OD2 ASP A 66 -8.824 2.763 5.714 1.00 0.00 O ATOM 0 H ASP A 66 -7.035 -0.732 3.226 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.174 1.762 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.159 0.522 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.440 0.829 5.017 1.00 0.00 H new ATOM 594 N HIS A 67 -4.913 1.694 2.845 1.00 0.00 N ATOM 595 CA HIS A 67 -3.660 2.387 2.602 1.00 0.00 C ATOM 596 C HIS A 67 -3.546 2.795 1.190 1.00 0.00 C ATOM 597 O HIS A 67 -3.150 3.903 0.881 1.00 0.00 O ATOM 598 CB HIS A 67 -2.531 1.447 2.899 1.00 0.00 C ATOM 599 CG HIS A 67 -1.206 1.989 2.795 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.942 3.277 3.174 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.086 1.346 2.729 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.307 3.392 3.396 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.870 2.250 3.147 1.00 0.00 N ATOM 0 H HIS A 67 -4.792 0.710 3.085 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.626 3.273 3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.664 1.061 3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.607 0.597 2.221 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.632 4.023 3.264 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.068 0.324 2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.810 4.286 3.733 1.00 0.00 H new ATOM 611 N LYS A 68 -3.870 1.895 0.355 1.00 0.00 N ATOM 612 CA LYS A 68 -3.744 2.078 -1.040 1.00 0.00 C ATOM 613 C LYS A 68 -4.744 3.120 -1.510 1.00 0.00 C ATOM 614 O LYS A 68 -4.513 3.829 -2.479 1.00 0.00 O ATOM 615 CB LYS A 68 -3.884 0.750 -1.702 1.00 0.00 C ATOM 616 CG LYS A 68 -2.883 -0.287 -1.140 1.00 0.00 C ATOM 617 CD LYS A 68 -3.147 -1.661 -1.755 1.00 0.00 C ATOM 618 CE LYS A 68 -2.991 -1.693 -3.267 1.00 0.00 C ATOM 619 NZ LYS A 68 -1.613 -1.428 -3.692 1.00 0.00 N ATOM 0 H LYS A 68 -4.241 0.984 0.623 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.763 2.468 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.901 0.383 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.726 0.861 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.862 0.027 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.975 -0.342 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.463 -2.385 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.157 -1.977 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.303 -2.668 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.655 -0.953 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.590 -0.572 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.013 -1.287 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.257 -2.237 -4.241 1.00 0.00 H new ATOM 633 N LYS A 69 -5.850 3.207 -0.791 1.00 0.00 N ATOM 634 CA LYS A 69 -6.806 4.277 -0.972 1.00 0.00 C ATOM 635 C LYS A 69 -6.140 5.637 -0.703 1.00 0.00 C ATOM 636 O LYS A 69 -6.303 6.580 -1.489 1.00 0.00 O ATOM 637 CB LYS A 69 -7.995 4.096 -0.039 1.00 0.00 C ATOM 638 CG LYS A 69 -8.921 5.285 -0.009 1.00 0.00 C ATOM 639 CD LYS A 69 -10.083 5.058 0.944 1.00 0.00 C ATOM 640 CE LYS A 69 -10.971 6.288 1.052 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.569 6.679 -0.246 1.00 0.00 N ATOM 0 H LYS A 69 -6.107 2.536 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.159 4.248 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.558 3.215 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.629 3.904 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.366 6.173 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.303 5.476 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.676 4.210 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.699 4.799 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.768 6.094 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.386 7.120 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.267 7.435 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.822 7.022 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.038 5.856 -0.674 1.00 0.00 H new ATOM 655 N ARG A 70 -5.358 5.722 0.400 1.00 0.00 N ATOM 656 CA ARG A 70 -4.645 6.963 0.747 1.00 0.00 C ATOM 657 C ARG A 70 -3.661 7.258 -0.379 1.00 0.00 C ATOM 658 O ARG A 70 -3.472 8.394 -0.766 1.00 0.00 O ATOM 659 CB ARG A 70 -3.896 6.789 2.118 1.00 0.00 C ATOM 660 CG ARG A 70 -3.298 8.076 2.794 1.00 0.00 C ATOM 661 CD ARG A 70 -2.292 8.809 1.912 1.00 0.00 C ATOM 662 NE ARG A 70 -1.571 9.918 2.589 1.00 0.00 N ATOM 663 CZ ARG A 70 -1.269 11.110 2.000 1.00 0.00 C ATOM 664 NH1 ARG A 70 -1.832 11.446 0.835 1.00 0.00 N ATOM 665 NH2 ARG A 70 -0.450 11.973 2.601 1.00 0.00 N ATOM 0 H ARG A 70 -5.209 4.953 1.054 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.342 7.793 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.590 6.332 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.082 6.080 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.111 8.756 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.814 7.795 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.561 8.090 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.814 9.209 1.043 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.283 9.778 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.490 10.810 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.604 12.338 0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.044 11.744 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.229 12.863 2.154 1.00 0.00 H new ATOM 679 N LEU A 71 -3.096 6.210 -0.928 1.00 0.00 N ATOM 680 CA LEU A 71 -2.103 6.307 -1.960 1.00 0.00 C ATOM 681 C LEU A 71 -2.719 6.776 -3.273 1.00 0.00 C ATOM 682 O LEU A 71 -2.097 7.512 -4.040 1.00 0.00 O ATOM 683 CB LEU A 71 -1.433 4.958 -2.135 1.00 0.00 C ATOM 684 CG LEU A 71 -0.693 4.396 -0.911 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.020 3.078 -1.238 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.317 5.391 -0.377 1.00 0.00 C ATOM 0 H LEU A 71 -3.320 5.251 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.358 7.047 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.193 4.236 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.722 5.034 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.435 4.216 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.496 2.704 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.771 2.354 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.700 3.227 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.825 4.965 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.049 5.618 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.195 6.307 -0.083 1.00 0.00 H new ATOM 698 N LYS A 72 -3.924 6.341 -3.519 1.00 0.00 N ATOM 699 CA LYS A 72 -4.677 6.725 -4.691 1.00 0.00 C ATOM 700 C LYS A 72 -5.009 8.215 -4.635 1.00 0.00 C ATOM 701 O LYS A 72 -4.759 8.963 -5.584 1.00 0.00 O ATOM 702 CB LYS A 72 -5.958 5.894 -4.758 1.00 0.00 C ATOM 703 CG LYS A 72 -6.823 6.160 -5.975 1.00 0.00 C ATOM 704 CD LYS A 72 -8.108 5.343 -5.943 1.00 0.00 C ATOM 705 CE LYS A 72 -8.978 5.726 -4.751 1.00 0.00 C ATOM 706 NZ LYS A 72 -10.266 5.009 -4.748 1.00 0.00 N ATOM 0 H LYS A 72 -4.423 5.699 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.082 6.540 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.691 4.837 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.547 6.086 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.068 7.221 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.263 5.921 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.664 5.500 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.866 4.281 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.441 5.509 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.162 6.800 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.824 5.301 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.791 5.235 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.093 3.984 -4.705 1.00 0.00 H new ATOM 720 N GLN A 73 -5.538 8.643 -3.504 1.00 0.00 N ATOM 721 CA GLN A 73 -5.911 10.033 -3.303 1.00 0.00 C ATOM 722 C GLN A 73 -4.685 10.933 -3.139 1.00 0.00 C ATOM 723 O GLN A 73 -4.767 12.135 -3.338 1.00 0.00 O ATOM 724 CB GLN A 73 -6.911 10.198 -2.153 1.00 0.00 C ATOM 725 CG GLN A 73 -6.399 9.750 -0.812 1.00 0.00 C ATOM 726 CD GLN A 73 -7.442 9.870 0.273 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.203 8.937 0.528 1.00 0.00 O ATOM 728 NE2 GLN A 73 -7.500 11.009 0.905 1.00 0.00 N ATOM 0 H GLN A 73 -5.721 8.041 -2.701 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.422 10.361 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.198 11.247 -2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.814 9.635 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.068 8.714 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.527 10.346 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.852 11.759 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.194 11.150 1.639 1.00 0.00 H new ATOM 737 N LEU A 74 -3.546 10.316 -2.799 1.00 0.00 N ATOM 738 CA LEU A 74 -2.255 10.994 -2.561 1.00 0.00 C ATOM 739 C LEU A 74 -1.814 11.794 -3.783 1.00 0.00 C ATOM 740 O LEU A 74 -1.046 12.743 -3.669 1.00 0.00 O ATOM 741 CB LEU A 74 -1.211 9.923 -2.152 1.00 0.00 C ATOM 742 CG LEU A 74 0.239 10.327 -1.750 1.00 0.00 C ATOM 743 CD1 LEU A 74 0.901 9.143 -1.066 1.00 0.00 C ATOM 744 CD2 LEU A 74 1.088 10.703 -2.963 1.00 0.00 C ATOM 0 H LEU A 74 -3.490 9.305 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.358 11.718 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.633 9.371 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.128 9.224 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 74 0.172 11.193 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.918 9.411 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.332 8.872 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.929 8.296 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.090 10.977 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.149 9.853 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.631 11.548 -3.479 1.00 0.00 H new ATOM 756 N SER A 75 -2.315 11.426 -4.944 1.00 0.00 N ATOM 757 CA SER A 75 -2.030 12.159 -6.157 1.00 0.00 C ATOM 758 C SER A 75 -2.517 13.616 -6.035 1.00 0.00 C ATOM 759 O SER A 75 -1.924 14.532 -6.596 1.00 0.00 O ATOM 760 CB SER A 75 -2.702 11.464 -7.324 1.00 0.00 C ATOM 761 OG SER A 75 -2.277 10.114 -7.393 1.00 0.00 O ATOM 0 H SER A 75 -2.925 10.619 -5.072 1.00 0.00 H new ATOM 0 HA SER A 75 -0.953 12.182 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.785 11.508 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.459 11.979 -8.254 1.00 0.00 H new ATOM 0 HG SER A 75 -2.902 9.548 -6.893 1.00 0.00 H new ATOM 767 N VAL A 76 -3.580 13.810 -5.270 1.00 0.00 N ATOM 768 CA VAL A 76 -4.136 15.124 -5.042 1.00 0.00 C ATOM 769 C VAL A 76 -3.852 15.573 -3.613 1.00 0.00 C ATOM 770 O VAL A 76 -3.454 16.709 -3.379 1.00 0.00 O ATOM 771 CB VAL A 76 -5.660 15.139 -5.295 1.00 0.00 C ATOM 772 CG1 VAL A 76 -6.253 16.521 -5.042 1.00 0.00 C ATOM 773 CG2 VAL A 76 -5.971 14.680 -6.705 1.00 0.00 C ATOM 0 H VAL A 76 -4.077 13.058 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.663 15.813 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.119 14.444 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.327 16.496 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.072 16.811 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.785 17.245 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.049 14.697 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.488 15.347 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.600 13.665 -6.847 1.00 0.00 H new ATOM 783 N GLU A 77 -4.050 14.673 -2.675 1.00 0.00 N ATOM 784 CA GLU A 77 -3.838 14.956 -1.271 1.00 0.00 C ATOM 785 C GLU A 77 -2.329 14.893 -0.955 1.00 0.00 C ATOM 786 O GLU A 77 -1.730 13.808 -1.010 1.00 0.00 O ATOM 787 CB GLU A 77 -4.619 13.944 -0.417 1.00 0.00 C ATOM 788 CG GLU A 77 -4.591 14.223 1.077 1.00 0.00 C ATOM 789 CD GLU A 77 -5.265 15.521 1.444 1.00 0.00 C ATOM 790 OE1 GLU A 77 -4.606 16.574 1.446 1.00 0.00 O ATOM 791 OE2 GLU A 77 -6.469 15.503 1.750 1.00 0.00 O ATOM 0 H GLU A 77 -4.364 13.721 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.200 15.957 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.656 13.930 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.213 12.948 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.080 13.404 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.556 14.248 1.418 1.00 0.00 H new ATOM 798 N PRO A 78 -1.721 16.075 -0.637 1.00 0.00 N ATOM 799 CA PRO A 78 -0.285 16.269 -0.381 1.00 0.00 C ATOM 800 C PRO A 78 0.487 15.119 0.269 1.00 0.00 C ATOM 801 O PRO A 78 -0.007 14.378 1.151 1.00 0.00 O ATOM 802 CB PRO A 78 -0.275 17.479 0.529 1.00 0.00 C ATOM 803 CG PRO A 78 -1.371 18.323 0.001 1.00 0.00 C ATOM 804 CD PRO A 78 -2.429 17.369 -0.507 1.00 0.00 C ATOM 0 HA PRO A 78 0.235 16.363 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.449 17.200 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.683 17.998 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.773 18.972 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.013 18.970 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.266 17.297 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.836 17.698 -1.463 1.00 0.00 H new ATOM 812 N TYR A 79 1.711 15.009 -0.167 1.00 0.00 N ATOM 813 CA TYR A 79 2.649 14.058 0.326 1.00 0.00 C ATOM 814 C TYR A 79 3.413 14.775 1.443 1.00 0.00 C ATOM 815 O TYR A 79 3.327 16.011 1.546 1.00 0.00 O ATOM 816 CB TYR A 79 3.564 13.675 -0.843 1.00 0.00 C ATOM 817 CG TYR A 79 4.427 12.456 -0.659 1.00 0.00 C ATOM 818 CD1 TYR A 79 3.864 11.239 -0.316 1.00 0.00 C ATOM 819 CD2 TYR A 79 5.791 12.510 -0.873 1.00 0.00 C ATOM 820 CE1 TYR A 79 4.638 10.109 -0.183 1.00 0.00 C ATOM 821 CE2 TYR A 79 6.574 11.382 -0.755 1.00 0.00 C ATOM 822 CZ TYR A 79 5.990 10.183 -0.405 1.00 0.00 C ATOM 823 OH TYR A 79 6.754 9.048 -0.314 1.00 0.00 O ATOM 0 H TYR A 79 2.090 15.605 -0.903 1.00 0.00 H new ATOM 0 HA TYR A 79 2.199 13.145 0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.942 13.521 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.215 14.523 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.799 11.175 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.251 13.451 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.184 9.169 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.637 11.437 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 79 7.688 9.295 -0.149 1.00 0.00 H new ATOM 833 N SER A 80 4.145 14.062 2.255 1.00 0.00 N ATOM 834 CA SER A 80 4.777 14.677 3.394 1.00 0.00 C ATOM 835 C SER A 80 6.052 15.461 3.055 1.00 0.00 C ATOM 836 O SER A 80 7.163 14.966 3.230 1.00 0.00 O ATOM 837 CB SER A 80 4.985 13.650 4.501 1.00 0.00 C ATOM 838 OG SER A 80 5.554 12.460 3.970 1.00 0.00 O ATOM 0 H SER A 80 4.319 13.062 2.152 1.00 0.00 H new ATOM 0 HA SER A 80 4.093 15.441 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.638 14.062 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.032 13.423 4.980 1.00 0.00 H new ATOM 0 HG SER A 80 5.684 11.809 4.691 1.00 0.00 H new ATOM 844 N GLN A 81 5.863 16.668 2.489 1.00 0.00 N ATOM 845 CA GLN A 81 6.961 17.588 2.170 1.00 0.00 C ATOM 846 C GLN A 81 7.943 16.937 1.164 1.00 0.00 C ATOM 847 O GLN A 81 9.167 17.090 1.258 1.00 0.00 O ATOM 848 CB GLN A 81 7.652 18.015 3.497 1.00 0.00 C ATOM 849 CG GLN A 81 8.777 19.031 3.342 1.00 0.00 C ATOM 850 CD GLN A 81 8.328 20.287 2.638 1.00 0.00 C ATOM 851 OE1 GLN A 81 7.168 20.697 2.736 1.00 0.00 O ATOM 852 NE2 GLN A 81 9.221 20.882 1.898 1.00 0.00 N ATOM 0 H GLN A 81 4.942 17.029 2.241 1.00 0.00 H new ATOM 0 HA GLN A 81 6.578 18.484 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.897 18.431 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.052 17.125 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.167 19.290 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.596 18.579 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.169 20.510 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.972 21.720 1.372 1.00 0.00 H new ATOM 861 N GLU A 82 7.372 16.220 0.167 1.00 0.00 N ATOM 862 CA GLU A 82 8.163 15.491 -0.853 1.00 0.00 C ATOM 863 C GLU A 82 9.026 14.440 -0.173 1.00 0.00 C ATOM 864 O GLU A 82 10.040 13.990 -0.726 1.00 0.00 O ATOM 865 CB GLU A 82 9.039 16.469 -1.660 1.00 0.00 C ATOM 866 CG GLU A 82 8.255 17.478 -2.473 1.00 0.00 C ATOM 867 CD GLU A 82 7.393 16.814 -3.506 1.00 0.00 C ATOM 868 OE1 GLU A 82 7.907 16.471 -4.580 1.00 0.00 O ATOM 869 OE2 GLU A 82 6.184 16.628 -3.258 1.00 0.00 O ATOM 0 H GLU A 82 6.363 16.131 0.047 1.00 0.00 H new ATOM 0 HA GLU A 82 7.481 14.998 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.695 17.004 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.679 15.897 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.631 18.074 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.945 18.165 -2.963 1.00 0.00 H new ATOM 876 N GLU A 83 8.569 14.044 1.017 1.00 0.00 N ATOM 877 CA GLU A 83 9.230 13.130 1.906 1.00 0.00 C ATOM 878 C GLU A 83 10.459 13.855 2.474 1.00 0.00 C ATOM 879 O GLU A 83 11.572 13.774 1.942 1.00 0.00 O ATOM 880 CB GLU A 83 9.522 11.789 1.205 1.00 0.00 C ATOM 881 CG GLU A 83 9.936 10.628 2.083 1.00 0.00 C ATOM 882 CD GLU A 83 10.158 9.378 1.249 1.00 0.00 C ATOM 883 OE1 GLU A 83 9.215 8.893 0.616 1.00 0.00 O ATOM 884 OE2 GLU A 83 11.305 8.883 1.190 1.00 0.00 O ATOM 0 H GLU A 83 7.681 14.378 1.391 1.00 0.00 H new ATOM 0 HA GLU A 83 8.598 12.845 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.629 11.494 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.310 11.956 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.850 10.880 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.167 10.440 2.832 1.00 0.00 H new ATOM 891 N ALA A 84 10.175 14.699 3.483 1.00 0.00 N ATOM 892 CA ALA A 84 11.158 15.580 4.133 1.00 0.00 C ATOM 893 C ALA A 84 12.348 14.808 4.652 1.00 0.00 C ATOM 894 O ALA A 84 12.181 13.854 5.414 1.00 0.00 O ATOM 895 CB ALA A 84 10.493 16.371 5.247 1.00 0.00 C ATOM 0 H ALA A 84 9.238 14.788 3.875 1.00 0.00 H new ATOM 0 HA ALA A 84 11.533 16.276 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.229 17.020 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.688 16.978 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.084 15.683 5.987 1.00 0.00 H new ATOM 901 N GLU A 85 13.553 15.259 4.253 1.00 0.00 N ATOM 902 CA GLU A 85 14.802 14.581 4.521 1.00 0.00 C ATOM 903 C GLU A 85 14.705 13.186 3.974 1.00 0.00 C ATOM 904 O GLU A 85 14.369 12.231 4.683 1.00 0.00 O ATOM 905 CB GLU A 85 15.183 14.579 5.994 1.00 0.00 C ATOM 906 CG GLU A 85 16.529 13.954 6.236 1.00 0.00 C ATOM 907 CD GLU A 85 16.895 13.898 7.680 1.00 0.00 C ATOM 908 OE1 GLU A 85 16.572 12.895 8.349 1.00 0.00 O ATOM 909 OE2 GLU A 85 17.515 14.853 8.180 1.00 0.00 O ATOM 0 H GLU A 85 13.670 16.124 3.726 1.00 0.00 H new ATOM 0 HA GLU A 85 15.604 15.127 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.189 15.603 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.426 14.037 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.533 12.944 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.288 14.520 5.696 1.00 0.00 H new ATOM 916 N ARG A 86 14.929 13.067 2.711 1.00 0.00 N ATOM 917 CA ARG A 86 14.678 11.833 2.082 1.00 0.00 C ATOM 918 C ARG A 86 15.900 10.948 2.109 1.00 0.00 C ATOM 919 O ARG A 86 16.983 11.356 1.696 1.00 0.00 O ATOM 920 CB ARG A 86 14.157 12.042 0.670 1.00 0.00 C ATOM 921 CG ARG A 86 13.397 10.855 0.166 1.00 0.00 C ATOM 922 CD ARG A 86 12.702 11.120 -1.143 1.00 0.00 C ATOM 923 NE ARG A 86 11.591 10.184 -1.303 1.00 0.00 N ATOM 924 CZ ARG A 86 10.685 10.198 -2.275 1.00 0.00 C ATOM 925 NH1 ARG A 86 10.849 10.975 -3.334 1.00 0.00 N ATOM 926 NH2 ARG A 86 9.602 9.431 -2.170 1.00 0.00 N ATOM 0 H ARG A 86 15.283 13.807 2.104 1.00 0.00 H new ATOM 0 HA ARG A 86 13.899 11.317 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.512 12.920 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.994 12.246 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.082 10.016 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.658 10.559 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.334 12.146 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.405 11.011 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 86 11.503 9.449 -0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.675 11.568 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.149 10.980 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.473 8.840 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.901 9.435 -2.911 1.00 0.00 H new ATOM 940 N ALA A 87 15.704 9.729 2.575 1.00 0.00 N ATOM 941 CA ALA A 87 16.745 8.708 2.698 1.00 0.00 C ATOM 942 C ALA A 87 17.067 8.073 1.336 1.00 0.00 C ATOM 943 O ALA A 87 17.702 7.016 1.245 1.00 0.00 O ATOM 944 CB ALA A 87 16.283 7.651 3.674 1.00 0.00 C ATOM 0 H ALA A 87 14.790 9.405 2.890 1.00 0.00 H new ATOM 0 HA ALA A 87 17.658 9.177 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.053 6.885 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 87 16.100 8.109 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.363 7.196 3.308 1.00 0.00 H new ATOM 950 N ALA A 88 16.662 8.747 0.307 1.00 0.00 N ATOM 951 CA ALA A 88 16.881 8.365 -1.033 1.00 0.00 C ATOM 952 C ALA A 88 17.354 9.591 -1.756 1.00 0.00 C ATOM 953 O ALA A 88 16.567 10.351 -2.320 1.00 0.00 O ATOM 954 CB ALA A 88 15.619 7.791 -1.671 1.00 0.00 C ATOM 0 H ALA A 88 16.144 9.622 0.394 1.00 0.00 H new ATOM 0 HA ALA A 88 17.625 7.570 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.829 7.509 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.297 6.912 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.829 8.542 -1.654 1.00 0.00 H new ATOM 960 N GLY A 89 18.607 9.852 -1.600 1.00 0.00 N ATOM 961 CA GLY A 89 19.214 10.979 -2.227 1.00 0.00 C ATOM 962 C GLY A 89 20.240 10.561 -3.231 1.00 0.00 C ATOM 963 O GLY A 89 21.300 10.046 -2.870 1.00 0.00 O ATOM 0 H GLY A 89 19.242 9.290 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.448 11.580 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 89 19.680 11.610 -1.470 1.00 0.00 H new ATOM 967 N MET A 90 19.936 10.749 -4.472 1.00 0.00 N ATOM 968 CA MET A 90 20.851 10.425 -5.526 1.00 0.00 C ATOM 969 C MET A 90 21.115 11.658 -6.355 1.00 0.00 C ATOM 970 O MET A 90 20.176 12.305 -6.842 1.00 0.00 O ATOM 971 CB MET A 90 20.315 9.271 -6.386 1.00 0.00 C ATOM 972 CG MET A 90 21.241 8.858 -7.529 1.00 0.00 C ATOM 973 SD MET A 90 20.625 7.431 -8.456 1.00 0.00 S ATOM 974 CE MET A 90 20.643 6.164 -7.181 1.00 0.00 C ATOM 0 H MET A 90 19.045 11.132 -4.789 1.00 0.00 H new ATOM 0 HA MET A 90 21.792 10.087 -5.093 1.00 0.00 H new ATOM 0 HB2 MET A 90 20.139 8.407 -5.745 1.00 0.00 H new ATOM 0 HB3 MET A 90 19.350 9.561 -6.802 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.367 9.700 -8.210 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.226 8.624 -7.125 1.00 0.00 H new ATOM 0 HE1 MET A 90 20.657 5.179 -7.647 1.00 0.00 H new ATOM 0 HE2 MET A 90 21.531 6.285 -6.560 1.00 0.00 H new ATOM 0 HE3 MET A 90 19.751 6.259 -6.561 1.00 0.00 H new ATOM 984 N GLY A 91 22.365 12.014 -6.476 1.00 0.00 N ATOM 985 CA GLY A 91 22.723 13.182 -7.235 1.00 0.00 C ATOM 986 C GLY A 91 23.979 12.972 -8.019 1.00 0.00 C ATOM 987 O GLY A 91 24.097 13.445 -9.155 1.00 0.00 O ATOM 0 H GLY A 91 23.151 11.514 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 91 21.909 13.438 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.853 14.028 -6.560 1.00 0.00 H new ATOM 991 N SER A 92 24.920 12.260 -7.432 1.00 0.00 N ATOM 992 CA SER A 92 26.170 11.979 -8.072 1.00 0.00 C ATOM 993 C SER A 92 25.970 11.127 -9.322 1.00 0.00 C ATOM 994 O SER A 92 25.162 10.175 -9.335 1.00 0.00 O ATOM 995 CB SER A 92 27.132 11.318 -7.079 1.00 0.00 C ATOM 996 OG SER A 92 26.542 10.170 -6.465 1.00 0.00 O ATOM 0 H SER A 92 24.830 11.864 -6.496 1.00 0.00 H new ATOM 0 HA SER A 92 26.615 12.919 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 92 28.046 11.026 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 92 27.415 12.038 -6.311 1.00 0.00 H new ATOM 0 HG SER A 92 27.180 9.770 -5.839 1.00 0.00 H new ATOM 1002 N TYR A 93 26.654 11.487 -10.366 1.00 0.00 N ATOM 1003 CA TYR A 93 26.574 10.808 -11.596 1.00 0.00 C ATOM 1004 C TYR A 93 27.493 9.603 -11.565 1.00 0.00 C ATOM 1005 O TYR A 93 28.558 9.640 -10.932 1.00 0.00 O ATOM 1006 CB TYR A 93 26.989 11.756 -12.708 1.00 0.00 C ATOM 1007 CG TYR A 93 26.123 12.996 -12.832 1.00 0.00 C ATOM 1008 CD1 TYR A 93 24.928 12.967 -13.537 1.00 0.00 C ATOM 1009 CD2 TYR A 93 26.504 14.194 -12.238 1.00 0.00 C ATOM 1010 CE1 TYR A 93 24.139 14.097 -13.646 1.00 0.00 C ATOM 1011 CE2 TYR A 93 25.722 15.322 -12.343 1.00 0.00 C ATOM 1012 CZ TYR A 93 24.542 15.271 -13.047 1.00 0.00 C ATOM 1013 OH TYR A 93 23.757 16.404 -13.156 1.00 0.00 O ATOM 0 H TYR A 93 27.294 12.281 -10.372 1.00 0.00 H new ATOM 0 HA TYR A 93 25.554 10.468 -11.773 1.00 0.00 H new ATOM 0 HB2 TYR A 93 28.021 12.064 -12.540 1.00 0.00 H new ATOM 0 HB3 TYR A 93 26.968 11.217 -13.655 1.00 0.00 H new ATOM 0 HD1 TYR A 93 24.610 12.048 -14.007 1.00 0.00 H new ATOM 0 HD2 TYR A 93 27.430 14.240 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.211 14.060 -14.198 1.00 0.00 H new ATOM 0 HE2 TYR A 93 26.034 16.244 -11.874 1.00 0.00 H new ATOM 0 HH TYR A 93 24.183 17.145 -12.676 1.00 0.00 H new ATOM 1023 N VAL A 94 27.083 8.540 -12.180 1.00 0.00 N ATOM 1024 CA VAL A 94 27.895 7.365 -12.249 1.00 0.00 C ATOM 1025 C VAL A 94 28.167 6.989 -13.715 1.00 0.00 C ATOM 1026 O VAL A 94 27.413 6.196 -14.307 1.00 0.00 O ATOM 1027 CB VAL A 94 27.306 6.181 -11.395 1.00 0.00 C ATOM 1028 CG1 VAL A 94 25.877 5.805 -11.797 1.00 0.00 C ATOM 1029 CG2 VAL A 94 28.229 4.971 -11.414 1.00 0.00 C ATOM 0 H VAL A 94 26.180 8.461 -12.647 1.00 0.00 H new ATOM 0 HA VAL A 94 28.860 7.586 -11.792 1.00 0.00 H new ATOM 0 HB VAL A 94 27.246 6.543 -10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 94 25.528 4.983 -11.172 1.00 0.00 H new ATOM 0 HG12 VAL A 94 25.223 6.666 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 94 25.862 5.497 -12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 94 27.793 4.171 -10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 94 28.357 4.627 -12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 94 29.199 5.247 -11.000 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.745 1.919 3.470 1.00 0.00 ZN