USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= -0.89 K(o=-0.89,f=-2.5!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 TYR OH : rot -28:sc= 1.23 USER MOD Set 2.2: A 110 HEC O2D : rot -29:sc= -1.01 USER MOD Set 3.1: A 63 THR OG1 : rot 123:sc= -2.1! USER MOD Set 3.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 48 TYR OH : rot 24:sc= -0.0537! USER MOD Set 4.2: A 52 ASN : amide:sc= 0.853 K(o=1.5,f=-0.84) USER MOD Set 4.3: A 110 HEC O2A : rot -90:sc= 0.669 USER MOD Set 5.1: A 16 GLN : amide:sc= 0.207 K(o=0.43,f=-0.13) USER MOD Set 5.2: A 27 LYS NZ :NH3+ -144:sc= 0.22 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.39 (180deg=0.0103) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 1.01 (180deg=-0.044!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -129:sc= -0.0795 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=-0.18) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00459 USER MOD Single : A 31 ASN : amide:sc= -0.296 K(o=-0.3,f=-2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.62) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 125:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -0.536 (180deg=-2.86!) USER MOD Single : A 58 THR OG1 : rot 51:sc= 0.501 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.904) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 79 LYS NZ :NH3+ -105:sc= -2.3 (180deg=-7.71!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.3 USER MOD Single : A 103 ASN : amide:sc= -0.0593 K(o=-0.059,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.607 -4.829 -15.491 1.00 10.00 N ATOM 2 CA GLY A 1 -4.239 -4.376 -15.339 1.00 10.00 C ATOM 3 C GLY A 1 -3.439 -5.666 -15.483 1.00 10.00 C ATOM 4 O GLY A 1 -4.006 -6.742 -15.290 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.987 -4.487 -16.396 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.632 -5.869 -15.476 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.185 -4.457 -14.710 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.968 -3.645 -16.100 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.074 -3.904 -14.371 1.00 10.00 H new ATOM 10 N ASP A 2 -2.232 -5.582 -15.983 1.00 10.00 N ATOM 11 CA ASP A 2 -1.378 -6.737 -16.195 1.00 10.00 C ATOM 12 C ASP A 2 -0.972 -7.334 -14.847 1.00 10.00 C ATOM 13 O ASP A 2 -0.258 -6.694 -14.080 1.00 10.00 O ATOM 14 CB ASP A 2 -0.123 -6.357 -16.981 1.00 10.00 C ATOM 15 CG ASP A 2 0.660 -7.603 -17.370 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.253 -8.706 -16.943 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.732 -7.436 -17.983 1.00 10.00 O ATOM 0 H ASP A 2 -1.803 -4.699 -16.260 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.938 -7.472 -16.772 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.402 -5.801 -17.876 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.504 -5.699 -16.380 1.00 10.00 H new ATOM 22 N VAL A 3 -1.396 -8.562 -14.554 1.00 10.00 N ATOM 23 CA VAL A 3 -0.935 -9.274 -13.372 1.00 10.00 C ATOM 24 C VAL A 3 0.569 -9.550 -13.471 1.00 10.00 C ATOM 25 O VAL A 3 1.280 -9.433 -12.472 1.00 10.00 O ATOM 26 CB VAL A 3 -1.760 -10.561 -13.188 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.236 -11.434 -12.037 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.236 -10.208 -12.937 1.00 10.00 C ATOM 0 H VAL A 3 -2.061 -9.084 -15.125 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.086 -8.658 -12.486 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.664 -11.138 -14.108 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.852 -12.329 -11.949 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.204 -11.722 -12.239 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.279 -10.871 -11.105 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.812 -11.124 -12.808 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.316 -9.599 -12.037 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.627 -9.650 -13.788 1.00 10.00 H new ATOM 38 N GLU A 4 1.070 -9.921 -14.653 1.00 10.00 N ATOM 39 CA GLU A 4 2.478 -10.247 -14.812 1.00 10.00 C ATOM 40 C GLU A 4 3.316 -9.010 -14.533 1.00 10.00 C ATOM 41 O GLU A 4 4.172 -9.027 -13.647 1.00 10.00 O ATOM 42 CB GLU A 4 2.759 -10.776 -16.220 1.00 10.00 C ATOM 43 CG GLU A 4 2.703 -12.305 -16.290 1.00 10.00 C ATOM 44 CD GLU A 4 4.098 -12.912 -16.262 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.849 -12.556 -15.321 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.418 -13.686 -17.185 1.00 10.00 O ATOM 0 H GLU A 4 0.518 -10.001 -15.507 1.00 10.00 H new ATOM 0 HA GLU A 4 2.742 -11.031 -14.102 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.032 -10.356 -16.915 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.743 -10.436 -16.544 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.121 -12.688 -15.452 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.189 -12.611 -17.202 1.00 10.00 H new ATOM 53 N LYS A 5 3.089 -7.930 -15.280 1.00 10.00 N ATOM 54 CA LYS A 5 3.813 -6.711 -15.007 1.00 10.00 C ATOM 55 C LYS A 5 3.535 -6.247 -13.589 1.00 10.00 C ATOM 56 O LYS A 5 4.488 -5.979 -12.874 1.00 10.00 O ATOM 57 CB LYS A 5 3.625 -5.636 -16.075 1.00 10.00 C ATOM 58 CG LYS A 5 4.530 -5.912 -17.287 1.00 10.00 C ATOM 59 CD LYS A 5 5.292 -4.654 -17.719 1.00 10.00 C ATOM 60 CE LYS A 5 4.339 -3.612 -18.322 1.00 10.00 C ATOM 61 NZ LYS A 5 5.056 -2.667 -19.203 1.00 10.00 N ATOM 0 H LYS A 5 2.427 -7.882 -16.055 1.00 10.00 H new ATOM 0 HA LYS A 5 4.879 -6.929 -15.067 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.582 -5.609 -16.392 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.857 -4.656 -15.657 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.240 -6.701 -17.040 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.926 -6.276 -18.118 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.809 -4.225 -16.861 1.00 10.00 H new ATOM 0 HD3 LYS A 5 6.055 -4.920 -18.450 1.00 10.00 H new ATOM 0 HE2 LYS A 5 3.557 -4.118 -18.889 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.846 -3.061 -17.521 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 4.383 -1.977 -19.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.785 -2.167 -18.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.505 -3.191 -19.981 1.00 10.00 H new ATOM 75 N GLY A 6 2.284 -6.236 -13.137 1.00 10.00 N ATOM 76 CA GLY A 6 1.944 -5.906 -11.764 1.00 10.00 C ATOM 77 C GLY A 6 2.833 -6.617 -10.736 1.00 10.00 C ATOM 78 O GLY A 6 3.280 -5.999 -9.766 1.00 10.00 O ATOM 0 H GLY A 6 1.476 -6.458 -13.719 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.028 -4.828 -11.624 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.903 -6.171 -11.580 1.00 10.00 H new ATOM 82 N LYS A 7 3.103 -7.910 -10.953 1.00 10.00 N ATOM 83 CA LYS A 7 3.904 -8.738 -10.078 1.00 10.00 C ATOM 84 C LYS A 7 5.302 -8.151 -10.015 1.00 10.00 C ATOM 85 O LYS A 7 5.818 -7.855 -8.938 1.00 10.00 O ATOM 86 CB LYS A 7 3.865 -10.188 -10.581 1.00 10.00 C ATOM 87 CG LYS A 7 4.584 -11.143 -9.622 1.00 10.00 C ATOM 88 CD LYS A 7 4.328 -12.610 -9.997 1.00 10.00 C ATOM 89 CE LYS A 7 5.175 -13.002 -11.213 1.00 10.00 C ATOM 90 NZ LYS A 7 4.881 -14.368 -11.698 1.00 10.00 N ATOM 0 H LYS A 7 2.754 -8.413 -11.769 1.00 10.00 H new ATOM 0 HA LYS A 7 3.513 -8.755 -9.061 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.828 -10.504 -10.699 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.329 -10.244 -11.566 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.655 -10.942 -9.641 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.244 -10.962 -8.602 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.570 -13.256 -9.153 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.271 -12.757 -10.218 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.998 -12.289 -12.018 1.00 10.00 H new ATOM 0 HE3 LYS A 7 6.231 -12.933 -10.952 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 5.481 -14.581 -12.520 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 5.075 -15.054 -10.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 3.880 -14.430 -11.974 1.00 10.00 H new ATOM 104 N LYS A 8 5.908 -7.963 -11.185 1.00 10.00 N ATOM 105 CA LYS A 8 7.264 -7.459 -11.238 1.00 10.00 C ATOM 106 C LYS A 8 7.325 -6.003 -10.767 1.00 10.00 C ATOM 107 O LYS A 8 8.305 -5.611 -10.148 1.00 10.00 O ATOM 108 CB LYS A 8 7.883 -7.641 -12.631 1.00 10.00 C ATOM 109 CG LYS A 8 8.389 -9.066 -12.912 1.00 10.00 C ATOM 110 CD LYS A 8 7.305 -10.145 -12.778 1.00 10.00 C ATOM 111 CE LYS A 8 7.596 -11.380 -13.645 1.00 10.00 C ATOM 112 NZ LYS A 8 6.999 -11.273 -14.995 1.00 10.00 N ATOM 0 H LYS A 8 5.483 -8.151 -12.093 1.00 10.00 H new ATOM 0 HA LYS A 8 7.867 -8.051 -10.550 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.141 -7.375 -13.384 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.713 -6.944 -12.742 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.803 -9.103 -13.920 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.203 -9.295 -12.225 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.225 -10.448 -11.734 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.341 -9.724 -13.062 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.674 -11.511 -13.737 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.208 -12.269 -13.148 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 7.503 -11.906 -15.649 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 5.996 -11.545 -14.954 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.078 -10.293 -15.333 1.00 10.00 H new ATOM 126 N ILE A 9 6.295 -5.199 -11.037 1.00 10.00 N ATOM 127 CA ILE A 9 6.198 -3.817 -10.618 1.00 10.00 C ATOM 128 C ILE A 9 6.226 -3.791 -9.100 1.00 10.00 C ATOM 129 O ILE A 9 7.160 -3.241 -8.537 1.00 10.00 O ATOM 130 CB ILE A 9 4.934 -3.164 -11.208 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.113 -2.914 -12.715 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.604 -1.824 -10.542 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.802 -2.463 -13.365 1.00 10.00 C ATOM 0 H ILE A 9 5.484 -5.511 -11.571 1.00 10.00 H new ATOM 0 HA ILE A 9 7.037 -3.230 -10.991 1.00 10.00 H new ATOM 0 HB ILE A 9 4.115 -3.860 -11.024 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.879 -2.154 -12.871 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.466 -3.826 -13.197 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.705 -1.405 -10.994 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.436 -1.979 -9.476 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.436 -1.134 -10.682 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.963 -2.295 -14.430 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.044 -3.235 -13.230 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.464 -1.538 -12.899 1.00 10.00 H new ATOM 145 N PHE A 10 5.230 -4.375 -8.436 1.00 10.00 N ATOM 146 CA PHE A 10 5.162 -4.412 -6.979 1.00 10.00 C ATOM 147 C PHE A 10 6.541 -4.690 -6.359 1.00 10.00 C ATOM 148 O PHE A 10 6.993 -3.999 -5.444 1.00 10.00 O ATOM 149 CB PHE A 10 4.136 -5.473 -6.583 1.00 10.00 C ATOM 150 CG PHE A 10 4.223 -5.857 -5.127 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.728 -4.985 -4.143 1.00 10.00 C ATOM 152 CD2 PHE A 10 4.998 -6.971 -4.756 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.965 -5.258 -2.788 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.247 -7.237 -3.404 1.00 10.00 C ATOM 155 CZ PHE A 10 4.713 -6.390 -2.422 1.00 10.00 C ATOM 0 H PHE A 10 4.446 -4.837 -8.896 1.00 10.00 H new ATOM 0 HA PHE A 10 4.851 -3.441 -6.595 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.134 -5.100 -6.796 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.283 -6.361 -7.198 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.167 -4.108 -4.429 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.402 -7.623 -5.516 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.573 -4.599 -2.027 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.846 -8.089 -3.119 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.878 -6.609 -1.377 1.00 10.00 H new ATOM 165 N VAL A 11 7.250 -5.675 -6.907 1.00 10.00 N ATOM 166 CA VAL A 11 8.602 -5.973 -6.479 1.00 10.00 C ATOM 167 C VAL A 11 9.539 -4.784 -6.783 1.00 10.00 C ATOM 168 O VAL A 11 10.123 -4.188 -5.885 1.00 10.00 O ATOM 169 CB VAL A 11 9.041 -7.301 -7.124 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.483 -7.708 -6.799 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.127 -8.441 -6.652 1.00 10.00 C ATOM 0 H VAL A 11 6.902 -6.279 -7.652 1.00 10.00 H new ATOM 0 HA VAL A 11 8.651 -6.108 -5.398 1.00 10.00 H new ATOM 0 HB VAL A 11 8.972 -7.134 -8.199 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.714 -8.653 -7.291 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.167 -6.938 -7.154 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.594 -7.823 -5.721 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.444 -9.376 -7.113 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.189 -8.532 -5.568 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.098 -8.225 -6.940 1.00 10.00 H new ATOM 181 N GLN A 12 9.677 -4.405 -8.053 1.00 10.00 N ATOM 182 CA GLN A 12 10.589 -3.365 -8.527 1.00 10.00 C ATOM 183 C GLN A 12 10.272 -1.979 -7.955 1.00 10.00 C ATOM 184 O GLN A 12 11.066 -1.056 -8.115 1.00 10.00 O ATOM 185 CB GLN A 12 10.525 -3.315 -10.056 1.00 10.00 C ATOM 186 CG GLN A 12 11.067 -4.615 -10.675 1.00 10.00 C ATOM 187 CD GLN A 12 12.579 -4.560 -10.868 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.065 -3.864 -11.752 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.337 -5.288 -10.053 1.00 10.00 N ATOM 0 H GLN A 12 9.137 -4.829 -8.807 1.00 10.00 H new ATOM 0 HA GLN A 12 11.590 -3.624 -8.181 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.495 -3.158 -10.375 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.104 -2.466 -10.420 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.813 -5.458 -10.032 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.583 -4.790 -11.636 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.903 -5.858 -9.326 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.352 -5.277 -10.155 1.00 10.00 H new ATOM 198 N LYS A 13 9.091 -1.809 -7.362 1.00 10.00 N ATOM 199 CA LYS A 13 8.625 -0.564 -6.788 1.00 10.00 C ATOM 200 C LYS A 13 8.708 -0.578 -5.267 1.00 10.00 C ATOM 201 O LYS A 13 9.016 0.452 -4.668 1.00 10.00 O ATOM 202 CB LYS A 13 7.184 -0.320 -7.229 1.00 10.00 C ATOM 203 CG LYS A 13 7.016 -0.174 -8.742 1.00 10.00 C ATOM 204 CD LYS A 13 7.889 0.951 -9.293 1.00 10.00 C ATOM 205 CE LYS A 13 7.490 1.289 -10.730 1.00 10.00 C ATOM 206 NZ LYS A 13 8.008 0.289 -11.681 1.00 10.00 N ATOM 0 H LYS A 13 8.414 -2.566 -7.269 1.00 10.00 H new ATOM 0 HA LYS A 13 9.269 0.241 -7.143 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.563 -1.146 -6.882 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.813 0.583 -6.743 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.278 -1.112 -9.231 1.00 10.00 H new ATOM 0 HG3 LYS A 13 5.970 0.027 -8.976 1.00 10.00 H new ATOM 0 HD2 LYS A 13 7.790 1.836 -8.665 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.937 0.654 -9.262 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.404 1.337 -10.806 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.872 2.275 -10.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 7.720 0.547 -12.647 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.046 0.261 -11.625 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 7.623 -0.648 -11.444 1.00 10.00 H new ATOM 220 N CYS A 14 8.387 -1.715 -4.647 1.00 10.00 N ATOM 221 CA CYS A 14 8.311 -1.831 -3.204 1.00 10.00 C ATOM 222 C CYS A 14 9.248 -2.960 -2.745 1.00 10.00 C ATOM 223 O CYS A 14 10.258 -2.670 -2.111 1.00 10.00 O ATOM 224 CB CYS A 14 6.867 -1.949 -2.732 1.00 10.00 C ATOM 225 SG CYS A 14 5.577 -1.587 -3.999 1.00 10.00 S ATOM 0 H CYS A 14 8.173 -2.581 -5.141 1.00 10.00 H new ATOM 0 HA CYS A 14 8.667 -0.920 -2.722 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.708 -2.960 -2.358 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.723 -1.272 -1.890 1.00 10.00 H new ATOM 230 N ALA A 15 8.937 -4.222 -3.075 1.00 10.00 N ATOM 231 CA ALA A 15 9.651 -5.439 -2.661 1.00 10.00 C ATOM 232 C ALA A 15 10.180 -5.416 -1.235 1.00 10.00 C ATOM 233 O ALA A 15 9.554 -5.962 -0.341 1.00 10.00 O ATOM 234 CB ALA A 15 10.810 -5.806 -3.598 1.00 10.00 C ATOM 0 H ALA A 15 8.136 -4.433 -3.671 1.00 10.00 H new ATOM 0 HA ALA A 15 8.873 -6.200 -2.718 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.296 -6.713 -3.238 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.425 -5.976 -4.604 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.533 -4.991 -3.619 1.00 10.00 H new ATOM 240 N GLN A 16 11.359 -4.843 -1.001 1.00 10.00 N ATOM 241 CA GLN A 16 12.076 -4.898 0.257 1.00 10.00 C ATOM 242 C GLN A 16 11.474 -3.970 1.322 1.00 10.00 C ATOM 243 O GLN A 16 12.183 -3.376 2.135 1.00 10.00 O ATOM 244 CB GLN A 16 13.549 -4.593 -0.054 1.00 10.00 C ATOM 245 CG GLN A 16 14.478 -5.632 0.570 1.00 10.00 C ATOM 246 CD GLN A 16 15.417 -4.983 1.576 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.194 -5.057 2.786 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.450 -4.316 1.067 1.00 10.00 N ATOM 0 H GLN A 16 11.854 -4.309 -1.715 1.00 10.00 H new ATOM 0 HA GLN A 16 11.991 -5.890 0.702 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.697 -4.572 -1.134 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.804 -3.602 0.322 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.888 -6.405 1.063 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.058 -6.123 -0.211 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.590 -4.286 0.057 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.102 -3.835 1.687 1.00 10.00 H new ATOM 257 N CYS A 17 10.147 -3.919 1.358 1.00 10.00 N ATOM 258 CA CYS A 17 9.343 -3.161 2.290 1.00 10.00 C ATOM 259 C CYS A 17 7.953 -3.782 2.409 1.00 10.00 C ATOM 260 O CYS A 17 7.427 -3.793 3.513 1.00 10.00 O ATOM 261 CB CYS A 17 9.272 -1.694 1.927 1.00 10.00 C ATOM 262 SG CYS A 17 9.153 -0.770 3.490 1.00 10.00 S ATOM 0 H CYS A 17 9.576 -4.441 0.693 1.00 10.00 H new ATOM 0 HA CYS A 17 9.828 -3.208 3.265 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.156 -1.392 1.366 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.408 -1.494 1.293 1.00 10.00 H new ATOM 267 N HIS A 18 7.357 -4.293 1.319 1.00 10.00 N ATOM 268 CA HIS A 18 6.081 -4.995 1.377 1.00 10.00 C ATOM 269 C HIS A 18 6.267 -6.469 1.071 1.00 10.00 C ATOM 270 O HIS A 18 7.367 -6.911 0.773 1.00 10.00 O ATOM 271 CB HIS A 18 5.112 -4.360 0.381 1.00 10.00 C ATOM 272 CG HIS A 18 4.408 -3.203 1.001 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.545 -3.297 2.055 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.487 -1.895 0.634 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.088 -2.062 2.300 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.629 -1.166 1.465 1.00 10.00 N ATOM 0 H HIS A 18 7.751 -4.227 0.380 1.00 10.00 H new ATOM 0 HA HIS A 18 5.671 -4.911 2.384 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.656 -4.030 -0.504 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.384 -5.101 0.050 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.295 -4.147 2.560 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.102 -1.492 -0.157 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.374 -1.820 3.073 1.00 10.00 H new ATOM 284 N THR A 19 5.168 -7.222 1.105 1.00 10.00 N ATOM 285 CA THR A 19 5.227 -8.641 0.820 1.00 10.00 C ATOM 286 C THR A 19 4.011 -9.110 0.026 1.00 10.00 C ATOM 287 O THR A 19 4.160 -9.835 -0.949 1.00 10.00 O ATOM 288 CB THR A 19 5.422 -9.411 2.130 1.00 10.00 C ATOM 289 OG1 THR A 19 6.390 -8.783 2.956 1.00 10.00 O ATOM 290 CG2 THR A 19 5.874 -10.821 1.779 1.00 10.00 C ATOM 0 H THR A 19 4.237 -6.870 1.326 1.00 10.00 H new ATOM 0 HA THR A 19 6.084 -8.846 0.179 1.00 10.00 H new ATOM 0 HB THR A 19 4.484 -9.431 2.685 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.054 -9.444 3.242 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.021 -11.394 2.694 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.114 -11.305 1.166 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.811 -10.775 1.225 1.00 10.00 H new ATOM 298 N VAL A 20 2.820 -8.678 0.444 1.00 10.00 N ATOM 299 CA VAL A 20 1.534 -9.048 -0.139 1.00 10.00 C ATOM 300 C VAL A 20 1.313 -10.559 -0.132 1.00 10.00 C ATOM 301 O VAL A 20 0.558 -11.062 -0.957 1.00 10.00 O ATOM 302 CB VAL A 20 1.255 -8.393 -1.514 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.349 -6.869 -1.451 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.091 -8.887 -2.696 1.00 10.00 C ATOM 0 H VAL A 20 2.724 -8.035 1.230 1.00 10.00 H new ATOM 0 HA VAL A 20 0.777 -8.622 0.520 1.00 10.00 H new ATOM 0 HB VAL A 20 0.235 -8.718 -1.717 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.146 -6.451 -2.437 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.618 -6.489 -0.738 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.350 -6.579 -1.133 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.799 -8.350 -3.598 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.147 -8.709 -2.494 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.924 -9.955 -2.839 1.00 10.00 H new ATOM 314 N GLU A 21 1.907 -11.270 0.830 1.00 10.00 N ATOM 315 CA GLU A 21 1.735 -12.703 0.959 1.00 10.00 C ATOM 316 C GLU A 21 1.980 -13.136 2.400 1.00 10.00 C ATOM 317 O GLU A 21 2.639 -12.446 3.174 1.00 10.00 O ATOM 318 CB GLU A 21 2.608 -13.463 -0.049 1.00 10.00 C ATOM 319 CG GLU A 21 4.106 -13.207 0.143 1.00 10.00 C ATOM 320 CD GLU A 21 4.980 -13.980 -0.836 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.439 -14.426 -1.870 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.184 -14.108 -0.526 1.00 10.00 O ATOM 0 H GLU A 21 2.518 -10.861 1.536 1.00 10.00 H new ATOM 0 HA GLU A 21 0.703 -12.958 0.716 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.413 -14.531 0.043 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.322 -13.173 -1.060 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.303 -12.141 0.031 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.386 -13.477 1.161 1.00 10.00 H new ATOM 329 N LYS A 22 1.409 -14.273 2.786 1.00 10.00 N ATOM 330 CA LYS A 22 1.605 -14.822 4.115 1.00 10.00 C ATOM 331 C LYS A 22 3.092 -15.074 4.384 1.00 10.00 C ATOM 332 O LYS A 22 3.879 -15.243 3.458 1.00 10.00 O ATOM 333 CB LYS A 22 0.777 -16.102 4.248 1.00 10.00 C ATOM 334 CG LYS A 22 1.292 -17.249 3.365 1.00 10.00 C ATOM 335 CD LYS A 22 2.461 -17.997 4.030 1.00 10.00 C ATOM 336 CE LYS A 22 2.233 -19.511 3.991 1.00 10.00 C ATOM 337 NZ LYS A 22 3.169 -20.226 4.882 1.00 10.00 N ATOM 0 H LYS A 22 0.802 -14.833 2.188 1.00 10.00 H new ATOM 0 HA LYS A 22 1.267 -14.107 4.865 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.781 -16.423 5.289 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.259 -15.886 3.985 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.480 -17.948 3.165 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.615 -16.851 2.403 1.00 10.00 H new ATOM 0 HD2 LYS A 22 3.392 -17.752 3.519 1.00 10.00 H new ATOM 0 HD3 LYS A 22 2.568 -17.668 5.064 1.00 10.00 H new ATOM 0 HE2 LYS A 22 1.208 -19.733 4.287 1.00 10.00 H new ATOM 0 HE3 LYS A 22 2.355 -19.872 2.970 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 2.985 -21.248 4.830 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 4.147 -20.034 4.584 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 3.035 -19.900 5.860 1.00 10.00 H new ATOM 351 N GLY A 23 3.478 -15.148 5.661 1.00 10.00 N ATOM 352 CA GLY A 23 4.868 -15.392 6.033 1.00 10.00 C ATOM 353 C GLY A 23 5.790 -14.297 5.503 1.00 10.00 C ATOM 354 O GLY A 23 6.977 -14.530 5.289 1.00 10.00 O ATOM 0 H GLY A 23 2.844 -15.042 6.453 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.951 -15.445 7.119 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.186 -16.358 5.641 1.00 10.00 H new ATOM 358 N GLY A 24 5.252 -13.084 5.349 1.00 10.00 N ATOM 359 CA GLY A 24 5.962 -11.970 4.757 1.00 10.00 C ATOM 360 C GLY A 24 6.690 -11.117 5.791 1.00 10.00 C ATOM 361 O GLY A 24 7.076 -9.992 5.481 1.00 10.00 O ATOM 0 H GLY A 24 4.301 -12.856 5.638 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.683 -12.348 4.032 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.257 -11.345 4.209 1.00 10.00 H new ATOM 365 N LYS A 25 6.870 -11.659 7.002 1.00 10.00 N ATOM 366 CA LYS A 25 7.479 -11.012 8.154 1.00 10.00 C ATOM 367 C LYS A 25 6.683 -9.774 8.583 1.00 10.00 C ATOM 368 O LYS A 25 5.478 -9.720 8.359 1.00 10.00 O ATOM 369 CB LYS A 25 8.983 -10.790 7.919 1.00 10.00 C ATOM 370 CG LYS A 25 9.661 -12.128 7.587 1.00 10.00 C ATOM 371 CD LYS A 25 11.184 -11.958 7.511 1.00 10.00 C ATOM 372 CE LYS A 25 11.861 -13.331 7.386 1.00 10.00 C ATOM 373 NZ LYS A 25 13.309 -13.221 7.107 1.00 10.00 N ATOM 0 H LYS A 25 6.576 -12.614 7.208 1.00 10.00 H new ATOM 0 HA LYS A 25 7.427 -11.672 9.020 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.132 -10.084 7.102 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.438 -10.352 8.807 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.410 -12.868 8.347 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.284 -12.507 6.637 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.446 -11.335 6.656 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.546 -11.445 8.402 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.713 -13.892 8.309 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.382 -13.898 6.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.721 -14.173 7.031 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.452 -12.709 6.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.773 -12.703 7.880 1.00 10.00 H new ATOM 387 N HIS A 26 7.326 -8.811 9.248 1.00 10.00 N ATOM 388 CA HIS A 26 6.732 -7.517 9.548 1.00 10.00 C ATOM 389 C HIS A 26 7.528 -6.460 8.791 1.00 10.00 C ATOM 390 O HIS A 26 7.067 -5.977 7.764 1.00 10.00 O ATOM 391 CB HIS A 26 6.676 -7.292 11.067 1.00 10.00 C ATOM 392 CG HIS A 26 5.652 -8.168 11.752 1.00 10.00 C ATOM 393 ND1 HIS A 26 4.403 -8.489 11.266 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.786 -8.779 12.971 1.00 10.00 C ATOM 395 CE1 HIS A 26 3.802 -9.274 12.175 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.611 -9.493 13.225 1.00 10.00 N ATOM 0 H HIS A 26 8.280 -8.913 9.594 1.00 10.00 H new ATOM 0 HA HIS A 26 5.695 -7.460 9.217 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.659 -7.488 11.495 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.444 -6.246 11.266 1.00 10.00 H new ATOM 0 HD2 HIS A 26 6.647 -8.720 13.621 1.00 10.00 H new ATOM 0 HE1 HIS A 26 2.804 -9.675 12.075 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.408 -10.066 14.044 1.00 10.00 H new ATOM 404 N LYS A 27 8.737 -6.138 9.263 1.00 10.00 N ATOM 405 CA LYS A 27 9.528 -5.042 8.714 1.00 10.00 C ATOM 406 C LYS A 27 8.720 -3.731 8.740 1.00 10.00 C ATOM 407 O LYS A 27 7.697 -3.633 9.414 1.00 10.00 O ATOM 408 CB LYS A 27 10.123 -5.411 7.333 1.00 10.00 C ATOM 409 CG LYS A 27 11.458 -6.146 7.516 1.00 10.00 C ATOM 410 CD LYS A 27 12.013 -6.710 6.194 1.00 10.00 C ATOM 411 CE LYS A 27 13.260 -5.996 5.629 1.00 10.00 C ATOM 412 NZ LYS A 27 12.982 -4.698 4.970 1.00 10.00 N ATOM 0 H LYS A 27 9.189 -6.630 10.033 1.00 10.00 H new ATOM 0 HA LYS A 27 10.397 -4.866 9.349 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.424 -6.041 6.783 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.273 -4.509 6.740 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.188 -5.462 7.949 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.324 -6.962 8.227 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.257 -7.762 6.344 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.223 -6.669 5.444 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.968 -5.832 6.441 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.746 -6.656 4.911 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 13.617 -4.580 4.155 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.994 -4.678 4.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.140 -3.924 5.647 1.00 10.00 H new ATOM 426 N THR A 28 9.213 -2.706 8.044 1.00 10.00 N ATOM 427 CA THR A 28 8.534 -1.440 7.860 1.00 10.00 C ATOM 428 C THR A 28 7.134 -1.647 7.266 1.00 10.00 C ATOM 429 O THR A 28 6.146 -1.494 7.977 1.00 10.00 O ATOM 430 CB THR A 28 9.438 -0.556 6.997 1.00 10.00 C ATOM 431 OG1 THR A 28 10.729 -0.514 7.569 1.00 10.00 O ATOM 432 CG2 THR A 28 8.884 0.861 6.831 1.00 10.00 C ATOM 0 H THR A 28 10.122 -2.743 7.583 1.00 10.00 H new ATOM 0 HA THR A 28 8.364 -0.940 8.814 1.00 10.00 H new ATOM 0 HB THR A 28 9.483 -0.994 6.000 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.312 0.050 7.019 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.563 1.447 6.211 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.905 0.815 6.354 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.789 1.332 7.810 1.00 10.00 H new ATOM 440 N GLY A 29 7.027 -1.940 5.964 1.00 10.00 N ATOM 441 CA GLY A 29 5.736 -2.054 5.304 1.00 10.00 C ATOM 442 C GLY A 29 5.041 -3.323 5.762 1.00 10.00 C ATOM 443 O GLY A 29 5.610 -4.403 5.629 1.00 10.00 O ATOM 0 H GLY A 29 7.826 -2.102 5.351 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.120 -1.186 5.536 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.869 -2.070 4.222 1.00 10.00 H new ATOM 447 N PRO A 30 3.840 -3.227 6.347 1.00 10.00 N ATOM 448 CA PRO A 30 3.309 -4.362 7.056 1.00 10.00 C ATOM 449 C PRO A 30 2.922 -5.474 6.114 1.00 10.00 C ATOM 450 O PRO A 30 2.754 -5.262 4.913 1.00 10.00 O ATOM 451 CB PRO A 30 2.143 -3.822 7.897 1.00 10.00 C ATOM 452 CG PRO A 30 1.704 -2.550 7.161 1.00 10.00 C ATOM 453 CD PRO A 30 3.000 -2.051 6.521 1.00 10.00 C ATOM 0 HA PRO A 30 4.050 -4.823 7.709 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.330 -4.545 7.961 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.456 -3.603 8.918 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.941 -2.761 6.412 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.284 -1.813 7.846 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.802 -1.568 5.564 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.489 -1.312 7.156 1.00 10.00 H new ATOM 461 N ASN A 31 2.865 -6.694 6.655 1.00 10.00 N ATOM 462 CA ASN A 31 2.619 -7.829 5.803 1.00 10.00 C ATOM 463 C ASN A 31 1.191 -7.787 5.303 1.00 10.00 C ATOM 464 O ASN A 31 0.247 -8.246 5.937 1.00 10.00 O ATOM 465 CB ASN A 31 2.909 -9.173 6.439 1.00 10.00 C ATOM 466 CG ASN A 31 2.616 -10.245 5.395 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.603 -9.955 4.201 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.372 -11.481 5.805 1.00 10.00 N ATOM 0 H ASN A 31 2.983 -6.904 7.646 1.00 10.00 H new ATOM 0 HA ASN A 31 3.324 -7.742 4.977 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.948 -9.228 6.764 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.290 -9.320 7.324 1.00 10.00 H new ATOM 0 HD21 ASN A 31 2.168 -12.213 5.125 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.388 -11.700 6.801 1.00 10.00 H new ATOM 475 N LEU A 32 1.122 -7.212 4.123 1.00 10.00 N ATOM 476 CA LEU A 32 -0.012 -6.810 3.377 1.00 10.00 C ATOM 477 C LEU A 32 -1.150 -7.849 3.335 1.00 10.00 C ATOM 478 O LEU A 32 -2.239 -7.560 3.823 1.00 10.00 O ATOM 479 CB LEU A 32 0.620 -6.321 2.033 1.00 10.00 C ATOM 480 CG LEU A 32 0.635 -4.800 1.860 1.00 10.00 C ATOM 481 CD1 LEU A 32 0.233 -4.233 0.488 1.00 10.00 C ATOM 482 CD2 LEU A 32 0.672 -3.781 3.013 1.00 10.00 C ATOM 0 H LEU A 32 1.979 -6.996 3.615 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.594 -6.005 3.826 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.643 -6.692 1.970 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.069 -6.764 1.204 1.00 10.00 H new ATOM 0 HG LEU A 32 1.705 -4.961 1.990 1.00 10.00 H new ATOM 0 HD11 LEU A 32 0.290 -3.145 0.513 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.910 -4.614 -0.276 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.787 -4.537 0.253 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.676 -2.770 2.605 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.206 -3.914 3.645 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.573 -3.936 3.607 1.00 10.00 H new ATOM 494 N HIS A 33 -0.894 -9.036 2.777 1.00 10.00 N ATOM 495 CA HIS A 33 -1.682 -10.267 2.903 1.00 10.00 C ATOM 496 C HIS A 33 -3.136 -10.101 3.395 1.00 10.00 C ATOM 497 O HIS A 33 -3.481 -10.483 4.512 1.00 10.00 O ATOM 498 CB HIS A 33 -0.890 -11.225 3.797 1.00 10.00 C ATOM 499 CG HIS A 33 -1.461 -12.616 3.822 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.824 -13.375 2.732 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.826 -13.297 4.949 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.399 -14.496 3.202 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.413 -14.500 4.547 1.00 10.00 N ATOM 0 H HIS A 33 -0.075 -9.172 2.185 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.821 -10.662 1.897 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.142 -11.268 3.448 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.867 -10.830 4.813 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.686 -12.965 5.967 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.796 -15.287 2.583 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.779 -15.235 5.153 1.00 10.00 H new ATOM 511 N GLY A 34 -3.990 -9.557 2.528 1.00 10.00 N ATOM 512 CA GLY A 34 -5.402 -9.293 2.793 1.00 10.00 C ATOM 513 C GLY A 34 -5.680 -7.795 2.819 1.00 10.00 C ATOM 514 O GLY A 34 -6.450 -7.314 3.648 1.00 10.00 O ATOM 0 H GLY A 34 -3.706 -9.279 1.589 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.015 -9.767 2.026 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.686 -9.736 3.747 1.00 10.00 H new ATOM 518 N LEU A 35 -5.069 -7.056 1.887 1.00 10.00 N ATOM 519 CA LEU A 35 -5.255 -5.622 1.784 1.00 10.00 C ATOM 520 C LEU A 35 -6.717 -5.333 1.423 1.00 10.00 C ATOM 521 O LEU A 35 -7.420 -4.595 2.113 1.00 10.00 O ATOM 522 CB LEU A 35 -4.274 -5.077 0.729 1.00 10.00 C ATOM 523 CG LEU A 35 -4.393 -3.577 0.425 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.964 -2.707 1.609 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.523 -3.245 -0.783 1.00 10.00 C ATOM 0 H LEU A 35 -4.435 -7.443 1.188 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.045 -5.124 2.731 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.257 -5.282 1.064 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.422 -5.630 -0.198 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.442 -3.361 0.222 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.067 -1.655 1.343 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.595 -2.927 2.470 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.924 -2.919 1.858 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.601 -2.181 -1.006 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.485 -3.494 -0.563 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.860 -3.822 -1.644 1.00 10.00 H new ATOM 537 N PHE A 36 -7.175 -5.939 0.325 1.00 10.00 N ATOM 538 CA PHE A 36 -8.531 -5.776 -0.173 1.00 10.00 C ATOM 539 C PHE A 36 -9.509 -6.573 0.685 1.00 10.00 C ATOM 540 O PHE A 36 -9.844 -7.708 0.354 1.00 10.00 O ATOM 541 CB PHE A 36 -8.621 -6.200 -1.643 1.00 10.00 C ATOM 542 CG PHE A 36 -7.569 -5.564 -2.523 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.709 -4.238 -2.956 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.392 -6.266 -2.809 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.718 -3.647 -3.756 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.352 -5.634 -3.505 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.539 -4.349 -4.041 1.00 10.00 C ATOM 0 H PHE A 36 -6.603 -6.562 -0.245 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.801 -4.722 -0.110 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.528 -7.284 -1.706 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.608 -5.942 -2.027 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.582 -3.669 -2.673 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.285 -7.293 -2.494 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.864 -2.653 -4.151 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.404 -6.137 -3.629 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.780 -3.905 -4.668 1.00 10.00 H new ATOM 557 N GLY A 37 -9.978 -5.965 1.773 1.00 10.00 N ATOM 558 CA GLY A 37 -11.005 -6.536 2.633 1.00 10.00 C ATOM 559 C GLY A 37 -10.717 -6.224 4.095 1.00 10.00 C ATOM 560 O GLY A 37 -10.787 -7.104 4.953 1.00 10.00 O ATOM 0 H GLY A 37 -9.649 -5.051 2.083 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -11.981 -6.137 2.356 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.049 -7.615 2.488 1.00 10.00 H new ATOM 564 N ARG A 38 -10.398 -4.962 4.385 1.00 10.00 N ATOM 565 CA ARG A 38 -10.087 -4.499 5.721 1.00 10.00 C ATOM 566 C ARG A 38 -10.131 -2.972 5.696 1.00 10.00 C ATOM 567 O ARG A 38 -10.410 -2.382 4.653 1.00 10.00 O ATOM 568 CB ARG A 38 -8.702 -5.014 6.151 1.00 10.00 C ATOM 569 CG ARG A 38 -8.669 -5.506 7.608 1.00 10.00 C ATOM 570 CD ARG A 38 -8.780 -7.033 7.755 1.00 10.00 C ATOM 571 NE ARG A 38 -10.133 -7.487 8.120 1.00 10.00 N ATOM 572 CZ ARG A 38 -10.421 -8.752 8.470 1.00 10.00 C ATOM 573 NH1 ARG A 38 -9.471 -9.692 8.396 1.00 10.00 N ATOM 574 NH2 ARG A 38 -11.644 -9.077 8.905 1.00 10.00 N ATOM 0 H ARG A 38 -10.350 -4.227 3.680 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.808 -4.878 6.446 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.403 -5.829 5.491 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.969 -4.217 6.026 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.741 -5.173 8.072 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.486 -5.038 8.157 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.487 -7.504 6.816 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.074 -7.370 8.514 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.891 -6.805 8.106 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -8.534 -9.446 8.075 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -9.684 -10.654 8.660 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -12.368 -8.362 8.973 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -11.852 -10.040 9.168 1.00 10.00 H new ATOM 588 N LYS A 39 -9.848 -2.345 6.837 1.00 10.00 N ATOM 589 CA LYS A 39 -9.732 -0.902 6.984 1.00 10.00 C ATOM 590 C LYS A 39 -8.268 -0.552 7.226 1.00 10.00 C ATOM 591 O LYS A 39 -7.432 -1.434 7.401 1.00 10.00 O ATOM 592 CB LYS A 39 -10.649 -0.440 8.136 1.00 10.00 C ATOM 593 CG LYS A 39 -11.785 0.449 7.604 1.00 10.00 C ATOM 594 CD LYS A 39 -13.095 0.333 8.407 1.00 10.00 C ATOM 595 CE LYS A 39 -13.446 1.590 9.222 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.909 1.749 9.370 1.00 10.00 N ATOM 0 H LYS A 39 -9.689 -2.847 7.710 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.053 -0.383 6.081 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.068 -1.308 8.644 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.065 0.110 8.874 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.455 1.488 7.613 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.983 0.186 6.565 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.913 0.119 7.719 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.019 -0.517 9.085 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -12.984 1.527 10.207 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.031 2.471 8.732 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.111 2.606 9.924 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.346 1.834 8.430 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.301 0.919 9.860 1.00 10.00 H new ATOM 610 N THR A 40 -7.965 0.743 7.233 1.00 10.00 N ATOM 611 CA THR A 40 -6.620 1.245 7.434 1.00 10.00 C ATOM 612 C THR A 40 -6.095 0.842 8.803 1.00 10.00 C ATOM 613 O THR A 40 -5.142 0.083 8.904 1.00 10.00 O ATOM 614 CB THR A 40 -6.649 2.758 7.259 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.649 3.346 8.080 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.922 3.074 5.792 1.00 10.00 C ATOM 0 H THR A 40 -8.659 1.478 7.097 1.00 10.00 H new ATOM 0 HA THR A 40 -5.939 0.812 6.701 1.00 10.00 H new ATOM 0 HB THR A 40 -5.687 3.173 7.559 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.244 4.036 8.646 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.946 4.155 5.651 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.133 2.645 5.174 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.883 2.649 5.501 1.00 10.00 H new ATOM 624 N GLY A 41 -6.735 1.313 9.873 1.00 10.00 N ATOM 625 CA GLY A 41 -6.310 1.028 11.237 1.00 10.00 C ATOM 626 C GLY A 41 -6.663 -0.394 11.689 1.00 10.00 C ATOM 627 O GLY A 41 -7.181 -0.563 12.790 1.00 10.00 O ATOM 0 H GLY A 41 -7.564 1.904 9.815 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.232 1.171 11.313 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.775 1.745 11.914 1.00 10.00 H new ATOM 631 N GLN A 42 -6.398 -1.405 10.854 1.00 10.00 N ATOM 632 CA GLN A 42 -6.727 -2.810 11.069 1.00 10.00 C ATOM 633 C GLN A 42 -5.629 -3.684 10.436 1.00 10.00 C ATOM 634 O GLN A 42 -5.894 -4.430 9.497 1.00 10.00 O ATOM 635 CB GLN A 42 -8.110 -3.113 10.453 1.00 10.00 C ATOM 636 CG GLN A 42 -9.312 -2.705 11.325 1.00 10.00 C ATOM 637 CD GLN A 42 -10.060 -3.893 11.938 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.131 -4.974 11.361 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.662 -3.699 13.107 1.00 10.00 N ATOM 0 H GLN A 42 -5.923 -1.252 9.964 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.775 -3.032 12.135 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.185 -2.600 9.494 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.174 -4.182 10.249 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.964 -2.054 12.127 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.007 -2.122 10.720 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.592 -2.794 13.573 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.194 -4.455 13.539 1.00 10.00 H new ATOM 648 N ALA A 43 -4.399 -3.620 10.960 1.00 10.00 N ATOM 649 CA ALA A 43 -3.308 -4.508 10.554 1.00 10.00 C ATOM 650 C ALA A 43 -3.049 -5.533 11.655 1.00 10.00 C ATOM 651 O ALA A 43 -3.091 -5.176 12.832 1.00 10.00 O ATOM 652 CB ALA A 43 -2.018 -3.733 10.287 1.00 10.00 C ATOM 0 H ALA A 43 -4.134 -2.948 11.680 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.609 -5.003 9.631 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.232 -4.427 9.988 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.186 -3.010 9.489 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.714 -3.209 11.193 1.00 10.00 H new ATOM 658 N PRO A 44 -2.754 -6.792 11.299 1.00 10.00 N ATOM 659 CA PRO A 44 -2.387 -7.804 12.269 1.00 10.00 C ATOM 660 C PRO A 44 -0.969 -7.536 12.786 1.00 10.00 C ATOM 661 O PRO A 44 -0.045 -7.394 11.989 1.00 10.00 O ATOM 662 CB PRO A 44 -2.491 -9.135 11.518 1.00 10.00 C ATOM 663 CG PRO A 44 -2.269 -8.771 10.048 1.00 10.00 C ATOM 664 CD PRO A 44 -2.719 -7.315 9.940 1.00 10.00 C ATOM 0 HA PRO A 44 -3.032 -7.809 13.148 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.742 -9.846 11.867 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.466 -9.599 11.668 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -1.223 -8.885 9.765 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.849 -9.415 9.388 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -2.030 -6.741 9.321 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.701 -7.246 9.472 1.00 10.00 H new ATOM 672 N GLY A 45 -0.810 -7.483 14.115 1.00 10.00 N ATOM 673 CA GLY A 45 0.471 -7.390 14.810 1.00 10.00 C ATOM 674 C GLY A 45 1.418 -6.363 14.190 1.00 10.00 C ATOM 675 O GLY A 45 2.420 -6.723 13.575 1.00 10.00 O ATOM 0 H GLY A 45 -1.603 -7.505 14.756 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.293 -7.128 15.853 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.952 -8.368 14.805 1.00 10.00 H new ATOM 679 N PHE A 46 1.103 -5.077 14.356 1.00 10.00 N ATOM 680 CA PHE A 46 1.844 -3.989 13.741 1.00 10.00 C ATOM 681 C PHE A 46 1.549 -2.700 14.523 1.00 10.00 C ATOM 682 O PHE A 46 0.683 -2.717 15.397 1.00 10.00 O ATOM 683 CB PHE A 46 1.394 -3.886 12.277 1.00 10.00 C ATOM 684 CG PHE A 46 2.091 -2.808 11.476 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.483 -2.877 11.282 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.367 -1.704 10.988 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.147 -1.856 10.582 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.034 -0.686 10.286 1.00 10.00 C ATOM 689 CZ PHE A 46 3.422 -0.758 10.089 1.00 10.00 C ATOM 0 H PHE A 46 0.318 -4.765 14.928 1.00 10.00 H new ATOM 0 HA PHE A 46 2.920 -4.159 13.764 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.562 -4.847 11.791 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.320 -3.700 12.253 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.041 -3.715 11.672 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.302 -1.640 11.153 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.214 -1.915 10.423 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.478 0.154 9.897 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.933 0.031 9.558 1.00 10.00 H new ATOM 699 N THR A 47 2.242 -1.596 14.214 1.00 10.00 N ATOM 700 CA THR A 47 2.030 -0.282 14.816 1.00 10.00 C ATOM 701 C THR A 47 1.732 0.728 13.705 1.00 10.00 C ATOM 702 O THR A 47 2.511 0.849 12.765 1.00 10.00 O ATOM 703 CB THR A 47 3.251 0.118 15.667 1.00 10.00 C ATOM 704 OG1 THR A 47 3.015 1.345 16.329 1.00 10.00 O ATOM 705 CG2 THR A 47 4.572 0.210 14.890 1.00 10.00 C ATOM 0 H THR A 47 2.987 -1.597 13.517 1.00 10.00 H new ATOM 0 HA THR A 47 1.174 -0.305 15.491 1.00 10.00 H new ATOM 0 HB THR A 47 3.371 -0.694 16.384 1.00 10.00 H new ATOM 0 HG1 THR A 47 3.799 1.583 16.866 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.375 0.497 15.569 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.801 -0.759 14.446 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.479 0.957 14.102 1.00 10.00 H new ATOM 713 N TYR A 48 0.619 1.460 13.813 1.00 10.00 N ATOM 714 CA TYR A 48 0.264 2.517 12.876 1.00 10.00 C ATOM 715 C TYR A 48 0.594 3.885 13.451 1.00 10.00 C ATOM 716 O TYR A 48 0.960 4.013 14.618 1.00 10.00 O ATOM 717 CB TYR A 48 -1.225 2.430 12.511 1.00 10.00 C ATOM 718 CG TYR A 48 -1.527 1.411 11.437 1.00 10.00 C ATOM 719 CD1 TYR A 48 -0.893 1.504 10.183 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.504 0.426 11.653 1.00 10.00 C ATOM 721 CE1 TYR A 48 -1.192 0.579 9.172 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.842 -0.457 10.617 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.199 -0.374 9.371 1.00 10.00 C ATOM 724 OH TYR A 48 -2.564 -1.206 8.360 1.00 10.00 O ATOM 0 H TYR A 48 -0.063 1.330 14.561 1.00 10.00 H new ATOM 0 HA TYR A 48 0.853 2.381 11.969 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.796 2.182 13.406 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.566 3.410 12.177 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -0.175 2.289 9.999 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.993 0.349 12.613 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -0.646 0.602 8.240 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.603 -1.207 10.779 1.00 10.00 H new ATOM 0 HH TYR A 48 -1.824 -1.292 7.723 1.00 10.00 H new ATOM 734 N THR A 49 0.454 4.899 12.600 1.00 10.00 N ATOM 735 CA THR A 49 0.672 6.287 12.927 1.00 10.00 C ATOM 736 C THR A 49 -0.669 6.930 13.301 1.00 10.00 C ATOM 737 O THR A 49 -1.739 6.410 12.958 1.00 10.00 O ATOM 738 CB THR A 49 1.311 6.961 11.705 1.00 10.00 C ATOM 739 OG1 THR A 49 0.387 7.003 10.630 1.00 10.00 O ATOM 740 CG2 THR A 49 2.565 6.216 11.226 1.00 10.00 C ATOM 0 H THR A 49 0.175 4.760 11.629 1.00 10.00 H new ATOM 0 HA THR A 49 1.340 6.401 13.781 1.00 10.00 H new ATOM 0 HB THR A 49 1.593 7.968 12.013 1.00 10.00 H new ATOM 0 HG1 THR A 49 0.804 7.436 9.857 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.984 6.728 10.360 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.304 6.195 12.027 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.299 5.195 10.951 1.00 10.00 H new ATOM 748 N ASP A 50 -0.620 8.086 13.963 1.00 10.00 N ATOM 749 CA ASP A 50 -1.752 8.930 14.332 1.00 10.00 C ATOM 750 C ASP A 50 -2.324 9.649 13.108 1.00 10.00 C ATOM 751 O ASP A 50 -2.514 10.862 13.095 1.00 10.00 O ATOM 752 CB ASP A 50 -1.301 9.923 15.417 1.00 10.00 C ATOM 753 CG ASP A 50 -0.055 10.717 15.026 1.00 10.00 C ATOM 754 OD1 ASP A 50 0.951 10.044 14.696 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.116 11.962 15.086 1.00 10.00 O ATOM 0 H ASP A 50 0.267 8.481 14.274 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.554 8.310 14.733 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -2.115 10.617 15.626 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.102 9.378 16.339 1.00 10.00 H new ATOM 760 N ALA A 51 -2.648 8.876 12.075 1.00 10.00 N ATOM 761 CA ALA A 51 -3.194 9.378 10.832 1.00 10.00 C ATOM 762 C ALA A 51 -3.832 8.216 10.080 1.00 10.00 C ATOM 763 O ALA A 51 -5.026 8.258 9.789 1.00 10.00 O ATOM 764 CB ALA A 51 -2.108 10.091 10.016 1.00 10.00 C ATOM 0 H ALA A 51 -2.533 7.863 12.086 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.965 10.124 11.025 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -2.537 10.462 9.085 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.711 10.928 10.591 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.303 9.391 9.791 1.00 10.00 H new ATOM 770 N ASN A 52 -3.076 7.142 9.814 1.00 10.00 N ATOM 771 CA ASN A 52 -3.639 5.985 9.112 1.00 10.00 C ATOM 772 C ASN A 52 -4.845 5.427 9.869 1.00 10.00 C ATOM 773 O ASN A 52 -5.852 5.051 9.270 1.00 10.00 O ATOM 774 CB ASN A 52 -2.592 4.896 8.835 1.00 10.00 C ATOM 775 CG ASN A 52 -3.056 3.942 7.721 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.412 4.400 6.639 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.075 2.631 7.962 1.00 10.00 N ATOM 0 H ASN A 52 -2.093 7.052 10.069 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.979 6.335 8.137 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.648 5.361 8.549 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.404 4.329 9.747 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.390 1.984 7.239 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.774 2.275 8.869 1.00 10.00 H new ATOM 784 N LYS A 53 -4.776 5.435 11.203 1.00 10.00 N ATOM 785 CA LYS A 53 -5.880 4.983 12.035 1.00 10.00 C ATOM 786 C LYS A 53 -7.067 5.949 11.967 1.00 10.00 C ATOM 787 O LYS A 53 -8.208 5.533 12.156 1.00 10.00 O ATOM 788 CB LYS A 53 -5.390 4.755 13.473 1.00 10.00 C ATOM 789 CG LYS A 53 -6.482 4.099 14.337 1.00 10.00 C ATOM 790 CD LYS A 53 -7.194 5.110 15.254 1.00 10.00 C ATOM 791 CE LYS A 53 -6.529 5.205 16.641 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.439 4.775 17.725 1.00 10.00 N ATOM 0 H LYS A 53 -3.960 5.752 11.726 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.244 4.030 11.651 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.503 4.122 13.461 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.096 5.707 13.915 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.216 3.622 13.688 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.036 3.313 14.946 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.189 6.093 14.782 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.238 4.819 15.372 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.631 4.587 16.655 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.212 6.232 16.821 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -6.951 4.855 18.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.284 5.381 17.729 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.722 3.787 17.569 1.00 10.00 H new ATOM 806 N ASN A 54 -6.811 7.234 11.709 1.00 10.00 N ATOM 807 CA ASN A 54 -7.851 8.251 11.614 1.00 10.00 C ATOM 808 C ASN A 54 -8.468 8.286 10.214 1.00 10.00 C ATOM 809 O ASN A 54 -9.468 8.961 9.999 1.00 10.00 O ATOM 810 CB ASN A 54 -7.264 9.618 11.996 1.00 10.00 C ATOM 811 CG ASN A 54 -8.244 10.418 12.848 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.797 11.423 12.418 1.00 10.00 O ATOM 813 ND2 ASN A 54 -8.452 9.974 14.086 1.00 10.00 N ATOM 0 H ASN A 54 -5.869 7.596 11.560 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.652 8.002 12.310 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -6.332 9.477 12.544 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -7.021 10.178 11.093 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -9.088 10.474 14.707 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.976 9.134 14.413 1.00 10.00 H new ATOM 820 N LYS A 55 -7.867 7.567 9.260 1.00 10.00 N ATOM 821 CA LYS A 55 -8.299 7.540 7.875 1.00 10.00 C ATOM 822 C LYS A 55 -9.670 6.869 7.773 1.00 10.00 C ATOM 823 O LYS A 55 -10.631 7.473 7.308 1.00 10.00 O ATOM 824 CB LYS A 55 -7.223 6.824 7.057 1.00 10.00 C ATOM 825 CG LYS A 55 -7.172 7.337 5.618 1.00 10.00 C ATOM 826 CD LYS A 55 -6.106 6.552 4.841 1.00 10.00 C ATOM 827 CE LYS A 55 -4.660 6.985 5.089 1.00 10.00 C ATOM 828 NZ LYS A 55 -4.355 8.253 4.413 1.00 10.00 N ATOM 0 H LYS A 55 -7.053 6.980 9.441 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.418 8.547 7.475 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.251 6.968 7.529 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.421 5.752 7.054 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.146 7.220 5.143 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.938 8.401 5.607 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -6.200 5.496 5.095 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.317 6.643 3.775 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.490 7.092 6.160 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.981 6.210 4.734 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.386 8.221 4.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.025 8.400 3.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.437 9.037 5.092 1.00 10.00 H new ATOM 842 N GLY A 56 -9.757 5.613 8.219 1.00 10.00 N ATOM 843 CA GLY A 56 -11.014 4.894 8.313 1.00 10.00 C ATOM 844 C GLY A 56 -11.624 4.614 6.943 1.00 10.00 C ATOM 845 O GLY A 56 -12.841 4.677 6.784 1.00 10.00 O ATOM 0 H GLY A 56 -8.949 5.071 8.525 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.853 3.951 8.836 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.718 5.474 8.910 1.00 10.00 H new ATOM 849 N ILE A 57 -10.780 4.252 5.975 1.00 10.00 N ATOM 850 CA ILE A 57 -11.184 3.934 4.614 1.00 10.00 C ATOM 851 C ILE A 57 -10.736 2.511 4.293 1.00 10.00 C ATOM 852 O ILE A 57 -9.816 1.999 4.932 1.00 10.00 O ATOM 853 CB ILE A 57 -10.652 5.001 3.637 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.122 5.034 3.532 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.216 6.372 4.026 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.662 6.136 2.574 1.00 10.00 C ATOM 0 H ILE A 57 -9.774 4.171 6.124 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.268 3.960 4.506 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.998 4.729 2.640 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.690 5.201 4.519 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.757 4.068 3.183 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.841 7.129 3.337 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.305 6.345 3.978 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.904 6.619 5.041 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.573 6.138 2.518 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.076 5.953 1.583 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.008 7.103 2.939 1.00 10.00 H new ATOM 868 N THR A 58 -11.431 1.858 3.359 1.00 10.00 N ATOM 869 CA THR A 58 -11.044 0.542 2.879 1.00 10.00 C ATOM 870 C THR A 58 -9.962 0.681 1.807 1.00 10.00 C ATOM 871 O THR A 58 -9.499 1.781 1.502 1.00 10.00 O ATOM 872 CB THR A 58 -12.269 -0.270 2.415 1.00 10.00 C ATOM 873 OG1 THR A 58 -11.889 -1.600 2.108 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.935 0.345 1.186 1.00 10.00 C ATOM 0 H THR A 58 -12.273 2.230 2.920 1.00 10.00 H new ATOM 0 HA THR A 58 -10.612 -0.031 3.699 1.00 10.00 H new ATOM 0 HB THR A 58 -12.985 -0.260 3.237 1.00 10.00 H new ATOM 0 HG1 THR A 58 -11.377 -1.975 2.855 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.793 -0.261 0.896 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.268 1.356 1.420 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.220 0.380 0.364 1.00 10.00 H new ATOM 882 N TRP A 59 -9.604 -0.450 1.210 1.00 10.00 N ATOM 883 CA TRP A 59 -8.660 -0.569 0.123 1.00 10.00 C ATOM 884 C TRP A 59 -9.345 -1.389 -0.965 1.00 10.00 C ATOM 885 O TRP A 59 -9.746 -2.523 -0.718 1.00 10.00 O ATOM 886 CB TRP A 59 -7.398 -1.233 0.664 1.00 10.00 C ATOM 887 CG TRP A 59 -6.737 -0.446 1.752 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.836 -0.681 3.080 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.973 0.787 1.619 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.067 0.244 3.760 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.551 1.204 2.913 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.607 1.602 0.528 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.774 2.357 3.108 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.869 2.784 0.717 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.471 3.171 2.007 1.00 10.00 C ATOM 0 H TRP A 59 -9.989 -1.352 1.492 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.364 0.390 -0.301 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.650 -2.223 1.043 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.691 -1.375 -0.153 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.422 -1.465 3.536 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.901 0.220 4.766 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.899 1.313 -0.471 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.414 2.614 4.093 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.607 3.397 -0.133 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.932 4.095 2.151 1.00 10.00 H new ATOM 906 N LYS A 60 -9.536 -0.791 -2.144 1.00 10.00 N ATOM 907 CA LYS A 60 -10.238 -1.414 -3.262 1.00 10.00 C ATOM 908 C LYS A 60 -9.466 -1.169 -4.559 1.00 10.00 C ATOM 909 O LYS A 60 -9.048 -2.120 -5.211 1.00 10.00 O ATOM 910 CB LYS A 60 -11.707 -0.968 -3.295 1.00 10.00 C ATOM 911 CG LYS A 60 -11.928 0.512 -3.613 1.00 10.00 C ATOM 912 CD LYS A 60 -13.375 0.927 -3.313 1.00 10.00 C ATOM 913 CE LYS A 60 -13.847 1.959 -4.344 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.503 1.355 -5.524 1.00 10.00 N ATOM 0 H LYS A 60 -9.202 0.151 -2.348 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.274 -2.496 -3.134 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.236 -1.566 -4.037 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.159 -1.187 -2.328 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.242 1.121 -3.025 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.702 0.700 -4.662 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.026 0.053 -3.337 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.441 1.346 -2.309 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.542 2.648 -3.865 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.992 2.548 -4.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.477 2.027 -6.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -14.002 0.484 -5.792 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.492 1.129 -5.294 1.00 10.00 H new ATOM 928 N GLU A 61 -9.241 0.109 -4.879 1.00 10.00 N ATOM 929 CA GLU A 61 -8.420 0.597 -5.976 1.00 10.00 C ATOM 930 C GLU A 61 -8.427 2.124 -5.981 1.00 10.00 C ATOM 931 O GLU A 61 -7.361 2.699 -6.087 1.00 10.00 O ATOM 932 CB GLU A 61 -8.786 0.003 -7.344 1.00 10.00 C ATOM 933 CG GLU A 61 -10.221 0.287 -7.800 1.00 10.00 C ATOM 934 CD GLU A 61 -10.568 -0.510 -9.060 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.111 -1.677 -9.171 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.297 0.071 -9.890 1.00 10.00 O ATOM 0 H GLU A 61 -9.655 0.871 -4.343 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.403 0.247 -5.800 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.097 0.395 -8.092 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.637 -1.076 -7.308 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.917 0.031 -7.001 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.339 1.353 -7.996 1.00 10.00 H new ATOM 943 N GLU A 62 -9.580 2.787 -5.820 1.00 10.00 N ATOM 944 CA GLU A 62 -9.684 4.250 -5.858 1.00 10.00 C ATOM 945 C GLU A 62 -8.742 4.918 -4.854 1.00 10.00 C ATOM 946 O GLU A 62 -7.785 5.586 -5.233 1.00 10.00 O ATOM 947 CB GLU A 62 -11.134 4.672 -5.578 1.00 10.00 C ATOM 948 CG GLU A 62 -12.055 4.366 -6.767 1.00 10.00 C ATOM 949 CD GLU A 62 -13.523 4.349 -6.368 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.863 5.030 -5.380 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.259 3.518 -6.947 1.00 10.00 O ATOM 0 H GLU A 62 -10.472 2.319 -5.659 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.387 4.579 -6.854 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.499 4.153 -4.692 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.166 5.739 -5.358 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.901 5.113 -7.546 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.785 3.400 -7.194 1.00 10.00 H new ATOM 958 N THR A 63 -9.005 4.724 -3.559 1.00 10.00 N ATOM 959 CA THR A 63 -8.171 5.303 -2.512 1.00 10.00 C ATOM 960 C THR A 63 -6.702 4.943 -2.755 1.00 10.00 C ATOM 961 O THR A 63 -5.822 5.795 -2.691 1.00 10.00 O ATOM 962 CB THR A 63 -8.720 4.914 -1.126 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.128 6.092 -0.476 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.710 4.203 -0.233 1.00 10.00 C ATOM 0 H THR A 63 -9.789 4.170 -3.214 1.00 10.00 H new ATOM 0 HA THR A 63 -8.209 6.392 -2.540 1.00 10.00 H new ATOM 0 HB THR A 63 -9.538 4.214 -1.293 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.073 6.018 -0.228 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.175 3.964 0.723 1.00 10.00 H new ATOM 0 HG22 THR A 63 -7.381 3.283 -0.717 1.00 10.00 H new ATOM 0 HG23 THR A 63 -6.851 4.853 -0.066 1.00 10.00 H new ATOM 972 N LEU A 64 -6.453 3.675 -3.082 1.00 10.00 N ATOM 973 CA LEU A 64 -5.133 3.147 -3.374 1.00 10.00 C ATOM 974 C LEU A 64 -4.485 3.937 -4.521 1.00 10.00 C ATOM 975 O LEU A 64 -3.337 4.353 -4.406 1.00 10.00 O ATOM 976 CB LEU A 64 -5.266 1.638 -3.645 1.00 10.00 C ATOM 977 CG LEU A 64 -4.288 0.747 -2.875 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.847 -0.682 -2.799 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.893 0.777 -3.496 1.00 10.00 C ATOM 0 H LEU A 64 -7.189 2.972 -3.151 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.459 3.267 -2.526 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.283 1.330 -3.400 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -5.128 1.464 -4.712 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.183 1.134 -1.861 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.151 -1.316 -2.251 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.808 -0.670 -2.285 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.979 -1.075 -3.807 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.226 0.133 -2.923 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.945 0.422 -4.525 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.511 1.798 -3.484 1.00 10.00 H new ATOM 991 N MET A 65 -5.223 4.190 -5.607 1.00 10.00 N ATOM 992 CA MET A 65 -4.738 4.868 -6.794 1.00 10.00 C ATOM 993 C MET A 65 -4.067 6.187 -6.434 1.00 10.00 C ATOM 994 O MET A 65 -3.020 6.498 -7.009 1.00 10.00 O ATOM 995 CB MET A 65 -5.839 5.064 -7.862 1.00 10.00 C ATOM 996 CG MET A 65 -5.995 3.864 -8.809 1.00 10.00 C ATOM 997 SD MET A 65 -6.564 4.225 -10.497 1.00 10.00 S ATOM 998 CE MET A 65 -8.260 4.774 -10.213 1.00 10.00 C ATOM 0 H MET A 65 -6.203 3.917 -5.677 1.00 10.00 H new ATOM 0 HA MET A 65 -3.988 4.218 -7.245 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.790 5.248 -7.362 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.610 5.953 -8.450 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.033 3.356 -8.876 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.696 3.162 -8.357 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.725 5.027 -11.166 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.826 3.975 -9.734 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.255 5.652 -9.568 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.660 6.925 -5.491 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.168 8.210 -5.033 1.00 10.00 C ATOM 1010 C GLU A 66 -3.116 8.004 -3.955 1.00 10.00 C ATOM 1011 O GLU A 66 -2.048 8.591 -4.016 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.335 9.035 -4.490 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.011 9.833 -5.607 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.347 10.376 -5.128 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.314 11.394 -4.404 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.368 9.730 -5.435 1.00 10.00 O ATOM 0 H GLU A 66 -5.515 6.631 -5.019 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.711 8.746 -5.865 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.063 8.375 -4.018 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.975 9.716 -3.719 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.366 10.655 -5.918 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.160 9.197 -6.480 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.404 7.173 -2.958 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.476 6.869 -1.883 1.00 10.00 C ATOM 1025 C TYR A 67 -1.086 6.529 -2.435 1.00 10.00 C ATOM 1026 O TYR A 67 -0.075 6.972 -1.891 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.065 5.720 -1.072 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.299 5.384 0.190 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.378 6.201 1.337 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.525 4.213 0.221 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.767 5.789 2.541 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.910 3.817 1.413 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.084 4.559 2.588 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.677 3.993 3.756 1.00 10.00 O ATOM 0 H TYR A 67 -4.298 6.689 -2.876 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.341 7.738 -1.239 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.091 5.971 -0.803 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.109 4.832 -1.703 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.906 7.142 1.294 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.405 3.620 -0.673 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.823 6.413 3.420 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.294 2.930 1.428 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.514 4.695 4.420 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.042 5.770 -3.536 1.00 10.00 N ATOM 1045 CA LEU A 68 0.184 5.563 -4.290 1.00 10.00 C ATOM 1046 C LEU A 68 0.567 6.843 -5.040 1.00 10.00 C ATOM 1047 O LEU A 68 1.608 7.418 -4.735 1.00 10.00 O ATOM 1048 CB LEU A 68 0.082 4.334 -5.205 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.321 3.056 -4.452 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.212 1.831 -5.367 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.443 2.815 -3.145 1.00 10.00 C ATOM 0 H LEU A 68 -1.854 5.288 -3.922 1.00 10.00 H new ATOM 0 HA LEU A 68 0.994 5.345 -3.594 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.648 4.532 -5.990 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.042 4.173 -5.696 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.359 3.212 -4.160 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.502 0.937 -4.814 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.873 1.957 -6.225 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.816 1.726 -5.714 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.092 1.892 -2.684 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.509 2.733 -3.357 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.271 3.649 -2.464 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.243 7.329 -5.990 1.00 10.00 N ATOM 1064 CA GLU A 69 0.089 8.529 -6.770 1.00 10.00 C ATOM 1065 C GLU A 69 -0.199 9.835 -6.018 1.00 10.00 C ATOM 1066 O GLU A 69 -0.766 10.763 -6.592 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.609 8.472 -8.141 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.028 7.375 -9.056 1.00 10.00 C ATOM 1069 CD GLU A 69 1.241 7.777 -9.806 1.00 10.00 C ATOM 1070 OE1 GLU A 69 1.580 8.978 -9.781 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.881 6.847 -10.354 1.00 10.00 O ATOM 0 H GLU A 69 -1.138 6.907 -6.238 1.00 10.00 H new ATOM 0 HA GLU A 69 1.167 8.532 -6.932 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.674 8.292 -7.995 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.514 9.440 -8.634 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.187 6.493 -8.452 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.788 7.087 -9.783 1.00 10.00 H new ATOM 1078 N ASN A 70 0.220 9.923 -4.749 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.030 11.031 -3.823 1.00 10.00 C ATOM 1080 C ASN A 70 0.136 10.548 -2.375 1.00 10.00 C ATOM 1081 O ASN A 70 -0.807 10.597 -1.583 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.432 11.658 -4.038 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.430 12.943 -4.855 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.459 13.694 -4.873 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.559 13.254 -5.491 1.00 10.00 N ATOM 0 H ASN A 70 0.773 9.181 -4.319 1.00 10.00 H new ATOM 0 HA ASN A 70 0.703 11.812 -4.025 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.071 10.927 -4.535 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.878 11.862 -3.065 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.629 14.131 -6.006 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.353 12.615 -5.462 1.00 10.00 H new ATOM 1092 N PRO A 71 1.345 10.126 -1.968 1.00 10.00 N ATOM 1093 CA PRO A 71 1.556 9.738 -0.595 1.00 10.00 C ATOM 1094 C PRO A 71 1.452 10.946 0.324 1.00 10.00 C ATOM 1095 O PRO A 71 0.757 10.906 1.337 1.00 10.00 O ATOM 1096 CB PRO A 71 2.916 9.034 -0.550 1.00 10.00 C ATOM 1097 CG PRO A 71 3.668 9.567 -1.775 1.00 10.00 C ATOM 1098 CD PRO A 71 2.573 10.029 -2.742 1.00 10.00 C ATOM 0 HA PRO A 71 0.791 9.052 -0.233 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.450 9.261 0.373 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.803 7.951 -0.594 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.329 10.390 -1.505 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.290 8.793 -2.224 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.829 10.992 -3.184 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.458 9.321 -3.563 1.00 10.00 H new ATOM 1106 N LYS A 72 2.110 12.045 -0.050 1.00 10.00 N ATOM 1107 CA LYS A 72 2.141 13.245 0.764 1.00 10.00 C ATOM 1108 C LYS A 72 0.989 14.188 0.399 1.00 10.00 C ATOM 1109 O LYS A 72 1.214 15.340 0.033 1.00 10.00 O ATOM 1110 CB LYS A 72 3.513 13.944 0.682 1.00 10.00 C ATOM 1111 CG LYS A 72 3.998 14.375 -0.721 1.00 10.00 C ATOM 1112 CD LYS A 72 4.667 13.233 -1.505 1.00 10.00 C ATOM 1113 CE LYS A 72 5.891 13.685 -2.322 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.531 14.285 -3.623 1.00 10.00 N ATOM 0 H LYS A 72 2.632 12.121 -0.923 1.00 10.00 H new ATOM 0 HA LYS A 72 1.998 12.951 1.804 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.480 14.830 1.316 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.260 13.275 1.108 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.150 14.752 -1.292 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.704 15.199 -0.618 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.973 12.454 -0.807 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.935 12.787 -2.178 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.461 14.409 -1.740 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.543 12.828 -2.492 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.396 14.569 -4.126 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 5.011 13.589 -4.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.932 15.120 -3.466 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.247 13.692 0.462 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.422 14.464 0.059 1.00 10.00 C ATOM 1130 C LYS A 73 -2.599 14.141 0.974 1.00 10.00 C ATOM 1131 O LYS A 73 -3.174 15.039 1.581 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.734 14.193 -1.425 1.00 10.00 C ATOM 1133 CG LYS A 73 -1.823 15.466 -2.279 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.098 16.293 -2.042 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.752 16.712 -3.373 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.623 15.654 -3.935 1.00 10.00 N ATOM 0 H LYS A 73 -0.461 12.751 0.791 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.223 15.531 0.161 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.962 13.543 -1.837 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.677 13.652 -1.496 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -0.954 16.091 -2.073 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.773 15.189 -3.332 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.807 15.711 -1.454 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -2.854 17.181 -1.459 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.340 17.617 -3.216 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.973 16.959 -4.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.038 15.985 -4.829 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -4.060 14.798 -4.111 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.383 15.435 -3.260 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.948 12.855 1.079 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.024 12.399 1.951 1.00 10.00 C ATOM 1152 C TYR A 74 -3.777 12.824 3.400 1.00 10.00 C ATOM 1153 O TYR A 74 -4.669 13.363 4.048 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.165 10.870 1.860 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.201 10.383 0.864 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.163 10.829 -0.468 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.246 9.534 1.281 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.175 10.451 -1.363 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.198 9.075 0.353 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.165 9.535 -0.975 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.112 9.127 -1.866 1.00 10.00 O ATOM 0 H TYR A 74 -2.490 12.105 0.561 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.952 12.863 1.618 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.197 10.446 1.593 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.421 10.484 2.847 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.355 11.463 -0.803 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.316 9.235 2.316 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.192 10.868 -2.359 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.955 8.369 0.661 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.718 8.492 -1.431 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.586 12.521 3.921 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.208 12.791 5.303 1.00 10.00 C ATOM 1173 C ILE A 75 -0.767 13.319 5.312 1.00 10.00 C ATOM 1174 O ILE A 75 0.146 12.603 4.899 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.377 11.532 6.183 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -1.949 10.265 5.428 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.835 11.402 6.651 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.819 9.016 6.309 1.00 10.00 C ATOM 0 H ILE A 75 -1.846 12.073 3.381 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.865 13.547 5.732 1.00 10.00 H new ATOM 0 HB ILE A 75 -1.731 11.641 7.054 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -2.674 10.064 4.639 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.992 10.453 4.941 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.940 10.511 7.270 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -4.110 12.282 7.232 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -4.490 11.320 5.783 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.513 8.168 5.696 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -1.072 9.193 7.083 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.780 8.798 6.776 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.522 14.562 5.753 1.00 10.00 N ATOM 1191 CA PRO A 76 0.816 15.130 5.786 1.00 10.00 C ATOM 1192 C PRO A 76 1.611 14.575 6.981 1.00 10.00 C ATOM 1193 O PRO A 76 2.003 15.318 7.877 1.00 10.00 O ATOM 1194 CB PRO A 76 0.599 16.648 5.815 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.766 16.825 6.482 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.524 15.543 6.143 1.00 10.00 C ATOM 0 HA PRO A 76 1.425 14.864 4.922 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.385 17.151 6.379 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.608 17.070 4.810 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.668 16.955 7.560 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.283 17.705 6.100 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.097 15.192 7.002 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.234 15.715 5.334 1.00 10.00 H new ATOM 1204 N GLY A 77 1.867 13.262 6.980 1.00 10.00 N ATOM 1205 CA GLY A 77 2.681 12.578 7.982 1.00 10.00 C ATOM 1206 C GLY A 77 2.653 11.068 7.739 1.00 10.00 C ATOM 1207 O GLY A 77 2.357 10.293 8.644 1.00 10.00 O ATOM 0 H GLY A 77 1.503 12.633 6.264 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.707 12.942 7.939 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.306 12.801 8.981 1.00 10.00 H new ATOM 1211 N THR A 78 2.952 10.654 6.503 1.00 10.00 N ATOM 1212 CA THR A 78 3.018 9.248 6.116 1.00 10.00 C ATOM 1213 C THR A 78 4.458 8.753 6.225 1.00 10.00 C ATOM 1214 O THR A 78 4.786 8.011 7.145 1.00 10.00 O ATOM 1215 CB THR A 78 2.392 9.078 4.720 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.022 9.329 4.853 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.513 7.676 4.121 1.00 10.00 C ATOM 0 H THR A 78 3.157 11.296 5.737 1.00 10.00 H new ATOM 0 HA THR A 78 2.436 8.622 6.792 1.00 10.00 H new ATOM 0 HB THR A 78 2.927 9.758 4.058 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.586 9.232 3.981 1.00 10.00 H new ATOM 0 HG21 THR A 78 2.042 7.658 3.138 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.566 7.411 4.024 1.00 10.00 H new ATOM 0 HG23 THR A 78 2.017 6.957 4.774 1.00 10.00 H new ATOM 1225 N LYS A 79 5.307 9.156 5.278 1.00 10.00 N ATOM 1226 CA LYS A 79 6.706 8.750 5.189 1.00 10.00 C ATOM 1227 C LYS A 79 7.336 9.414 3.969 1.00 10.00 C ATOM 1228 O LYS A 79 8.435 9.942 4.080 1.00 10.00 O ATOM 1229 CB LYS A 79 6.878 7.218 5.156 1.00 10.00 C ATOM 1230 CG LYS A 79 6.007 6.524 4.097 1.00 10.00 C ATOM 1231 CD LYS A 79 5.181 5.367 4.668 1.00 10.00 C ATOM 1232 CE LYS A 79 5.791 4.029 4.292 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.535 3.719 2.873 1.00 10.00 N ATOM 0 H LYS A 79 5.029 9.793 4.531 1.00 10.00 H new ATOM 0 HA LYS A 79 7.221 9.082 6.091 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.925 6.982 4.965 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.634 6.812 6.138 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.335 7.257 3.649 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.646 6.148 3.298 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.127 5.454 5.753 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.159 5.424 4.292 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.865 4.049 4.477 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.373 3.244 4.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.794 2.992 2.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.222 4.580 2.381 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.408 3.366 2.432 1.00 10.00 H new ATOM 1247 N MET A 80 6.604 9.398 2.839 1.00 10.00 N ATOM 1248 CA MET A 80 7.028 9.850 1.521 1.00 10.00 C ATOM 1249 C MET A 80 8.156 8.959 1.011 1.00 10.00 C ATOM 1250 O MET A 80 9.151 8.771 1.704 1.00 10.00 O ATOM 1251 CB MET A 80 7.407 11.337 1.548 1.00 10.00 C ATOM 1252 CG MET A 80 7.987 11.835 0.222 1.00 10.00 C ATOM 1253 SD MET A 80 8.602 13.532 0.322 1.00 10.00 S ATOM 1254 CE MET A 80 9.586 13.605 -1.189 1.00 10.00 C ATOM 0 H MET A 80 5.646 9.047 2.832 1.00 10.00 H new ATOM 0 HA MET A 80 6.199 9.761 0.819 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.524 11.926 1.795 1.00 10.00 H new ATOM 0 HB3 MET A 80 8.135 11.506 2.342 1.00 10.00 H new ATOM 0 HG2 MET A 80 8.799 11.176 -0.085 1.00 10.00 H new ATOM 0 HG3 MET A 80 7.220 11.776 -0.550 1.00 10.00 H new ATOM 0 HE1 MET A 80 10.039 14.592 -1.281 1.00 10.00 H new ATOM 0 HE2 MET A 80 10.370 12.849 -1.150 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.945 13.418 -2.050 1.00 10.00 H new ATOM 1264 N ILE A 81 8.007 8.409 -0.203 1.00 10.00 N ATOM 1265 CA ILE A 81 9.090 7.643 -0.803 1.00 10.00 C ATOM 1266 C ILE A 81 9.492 8.048 -2.213 1.00 10.00 C ATOM 1267 O ILE A 81 10.671 7.999 -2.554 1.00 10.00 O ATOM 1268 CB ILE A 81 8.852 6.115 -0.695 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.508 5.731 -1.348 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.905 5.618 0.755 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.223 4.227 -1.355 1.00 10.00 C ATOM 0 H ILE A 81 7.164 8.482 -0.772 1.00 10.00 H new ATOM 0 HA ILE A 81 9.955 7.907 -0.195 1.00 10.00 H new ATOM 0 HB ILE A 81 9.664 5.625 -1.233 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.702 6.240 -0.820 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.498 6.097 -2.375 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.732 4.542 0.777 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.885 5.837 1.179 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.135 6.121 1.340 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.260 4.041 -1.831 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.007 3.711 -1.909 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.198 3.857 -0.330 1.00 10.00 H new ATOM 1283 N PHE A 82 8.535 8.448 -3.040 1.00 10.00 N ATOM 1284 CA PHE A 82 8.795 8.828 -4.411 1.00 10.00 C ATOM 1285 C PHE A 82 7.572 9.604 -4.892 1.00 10.00 C ATOM 1286 O PHE A 82 6.578 9.713 -4.167 1.00 10.00 O ATOM 1287 CB PHE A 82 9.127 7.579 -5.254 1.00 10.00 C ATOM 1288 CG PHE A 82 8.214 6.376 -5.060 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.827 6.513 -5.237 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.745 5.110 -4.740 1.00 10.00 C ATOM 1291 CE1 PHE A 82 5.969 5.416 -5.076 1.00 10.00 C ATOM 1292 CE2 PHE A 82 7.890 4.001 -4.604 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.500 4.163 -4.739 1.00 10.00 C ATOM 0 H PHE A 82 7.553 8.516 -2.771 1.00 10.00 H new ATOM 0 HA PHE A 82 9.669 9.471 -4.510 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.104 7.860 -6.307 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.149 7.274 -5.027 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.416 7.476 -5.501 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.809 4.991 -4.599 1.00 10.00 H new ATOM 0 HE1 PHE A 82 4.904 5.536 -5.211 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.302 3.025 -4.396 1.00 10.00 H new ATOM 0 HZ PHE A 82 5.841 3.322 -4.583 1.00 10.00 H new ATOM 1303 N ALA A 83 7.634 10.142 -6.107 1.00 10.00 N ATOM 1304 CA ALA A 83 6.539 10.888 -6.703 1.00 10.00 C ATOM 1305 C ALA A 83 5.605 9.930 -7.441 1.00 10.00 C ATOM 1306 O ALA A 83 5.583 9.909 -8.668 1.00 10.00 O ATOM 1307 CB ALA A 83 7.116 11.957 -7.631 1.00 10.00 C ATOM 0 H ALA A 83 8.455 10.069 -6.708 1.00 10.00 H new ATOM 0 HA ALA A 83 5.950 11.387 -5.933 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.302 12.523 -8.084 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.752 12.631 -7.058 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.706 11.480 -8.414 1.00 10.00 H new ATOM 1313 N GLY A 84 4.837 9.143 -6.684 1.00 10.00 N ATOM 1314 CA GLY A 84 3.939 8.154 -7.264 1.00 10.00 C ATOM 1315 C GLY A 84 4.694 7.055 -8.011 1.00 10.00 C ATOM 1316 O GLY A 84 5.921 7.002 -7.975 1.00 10.00 O ATOM 0 H GLY A 84 4.823 9.175 -5.665 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.336 7.706 -6.474 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.250 8.649 -7.949 1.00 10.00 H new ATOM 1320 N ILE A 85 3.965 6.134 -8.645 1.00 10.00 N ATOM 1321 CA ILE A 85 4.579 5.029 -9.354 1.00 10.00 C ATOM 1322 C ILE A 85 5.213 5.563 -10.631 1.00 10.00 C ATOM 1323 O ILE A 85 6.429 5.729 -10.685 1.00 10.00 O ATOM 1324 CB ILE A 85 3.536 3.912 -9.555 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.421 3.073 -8.299 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.748 2.994 -10.769 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.711 2.323 -7.989 1.00 10.00 C ATOM 0 H ILE A 85 2.946 6.139 -8.677 1.00 10.00 H new ATOM 0 HA ILE A 85 5.388 4.569 -8.786 1.00 10.00 H new ATOM 0 HB ILE A 85 2.610 4.447 -9.767 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.165 3.716 -7.457 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.606 2.359 -8.414 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.953 2.249 -10.805 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.730 3.589 -11.682 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.712 2.492 -10.682 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.581 1.735 -7.080 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.954 1.659 -8.819 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.522 3.037 -7.846 1.00 10.00 H new ATOM 1339 N LYS A 86 4.401 5.785 -11.665 1.00 10.00 N ATOM 1340 CA LYS A 86 4.844 6.357 -12.931 1.00 10.00 C ATOM 1341 C LYS A 86 3.831 7.356 -13.482 1.00 10.00 C ATOM 1342 O LYS A 86 4.198 8.472 -13.841 1.00 10.00 O ATOM 1343 CB LYS A 86 5.137 5.261 -13.967 1.00 10.00 C ATOM 1344 CG LYS A 86 6.037 4.167 -13.387 1.00 10.00 C ATOM 1345 CD LYS A 86 6.841 3.425 -14.451 1.00 10.00 C ATOM 1346 CE LYS A 86 8.344 3.724 -14.304 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.183 2.871 -15.173 1.00 10.00 N ATOM 0 H LYS A 86 3.404 5.569 -11.644 1.00 10.00 H new ATOM 0 HA LYS A 86 5.771 6.895 -12.732 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.200 4.820 -14.307 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.617 5.703 -14.840 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.723 4.613 -12.667 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.423 3.452 -12.840 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.668 2.352 -14.362 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.501 3.722 -15.443 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.527 4.771 -14.544 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.639 3.579 -13.265 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.185 3.114 -15.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.032 1.871 -14.929 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.923 3.027 -16.168 1.00 10.00 H new ATOM 1361 N LYS A 87 2.579 6.921 -13.650 1.00 10.00 N ATOM 1362 CA LYS A 87 1.542 7.737 -14.253 1.00 10.00 C ATOM 1363 C LYS A 87 0.154 7.229 -13.897 1.00 10.00 C ATOM 1364 O LYS A 87 -0.609 7.881 -13.190 1.00 10.00 O ATOM 1365 CB LYS A 87 1.768 7.854 -15.771 1.00 10.00 C ATOM 1366 CG LYS A 87 2.405 6.657 -16.497 1.00 10.00 C ATOM 1367 CD LYS A 87 2.749 6.999 -17.955 1.00 10.00 C ATOM 1368 CE LYS A 87 3.973 7.928 -18.058 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.513 7.996 -19.433 1.00 10.00 N ATOM 0 H LYS A 87 2.264 5.992 -13.369 1.00 10.00 H new ATOM 0 HA LYS A 87 1.605 8.744 -13.840 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.804 8.054 -16.238 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.396 8.727 -15.950 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.309 6.351 -15.971 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.720 5.809 -16.473 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.945 6.079 -18.506 1.00 10.00 H new ATOM 0 HD3 LYS A 87 1.891 7.477 -18.427 1.00 10.00 H new ATOM 0 HE2 LYS A 87 3.695 8.929 -17.730 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.752 7.576 -17.381 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.335 8.633 -19.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.804 7.046 -19.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 3.780 8.357 -20.076 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.173 6.053 -14.419 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.427 5.380 -14.142 1.00 10.00 C ATOM 1385 C LYS A 88 -1.329 3.938 -14.615 1.00 10.00 C ATOM 1386 O LYS A 88 -1.766 3.041 -13.906 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.640 6.110 -14.752 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.737 6.018 -16.281 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.882 6.895 -16.812 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.671 6.140 -17.894 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.616 7.016 -18.616 1.00 10.00 N ATOM 0 H LYS A 88 0.436 5.537 -15.054 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.598 5.393 -13.066 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.551 5.699 -14.318 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.597 7.161 -14.466 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -1.795 6.333 -16.729 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.900 4.982 -16.577 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.547 7.173 -15.994 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -3.480 7.821 -17.224 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -3.974 5.697 -18.606 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.220 5.319 -17.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.124 6.461 -19.334 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.299 7.419 -17.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.091 7.785 -19.079 1.00 10.00 H new ATOM 1405 N THR A 89 -0.740 3.732 -15.798 1.00 10.00 N ATOM 1406 CA THR A 89 -0.681 2.440 -16.465 1.00 10.00 C ATOM 1407 C THR A 89 -0.014 1.429 -15.540 1.00 10.00 C ATOM 1408 O THR A 89 -0.638 0.464 -15.098 1.00 10.00 O ATOM 1409 CB THR A 89 0.051 2.620 -17.806 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.620 3.640 -18.526 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.121 1.322 -18.623 1.00 10.00 C ATOM 0 H THR A 89 -0.284 4.478 -16.324 1.00 10.00 H new ATOM 0 HA THR A 89 -1.675 2.051 -16.685 1.00 10.00 H new ATOM 0 HB THR A 89 1.087 2.898 -17.613 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.174 3.780 -19.388 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.648 1.509 -19.559 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.653 0.561 -18.052 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.889 0.973 -18.839 1.00 10.00 H new ATOM 1419 N GLU A 90 1.238 1.711 -15.174 1.00 10.00 N ATOM 1420 CA GLU A 90 1.962 0.845 -14.262 1.00 10.00 C ATOM 1421 C GLU A 90 1.214 0.687 -12.939 1.00 10.00 C ATOM 1422 O GLU A 90 1.058 -0.418 -12.433 1.00 10.00 O ATOM 1423 CB GLU A 90 3.360 1.419 -14.013 1.00 10.00 C ATOM 1424 CG GLU A 90 4.424 0.728 -14.887 1.00 10.00 C ATOM 1425 CD GLU A 90 4.684 1.405 -16.227 1.00 10.00 C ATOM 1426 OE1 GLU A 90 4.285 2.582 -16.373 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.340 0.740 -17.059 1.00 10.00 O ATOM 0 H GLU A 90 1.761 2.526 -15.495 1.00 10.00 H new ATOM 0 HA GLU A 90 2.048 -0.142 -14.717 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.357 2.489 -14.222 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.620 1.300 -12.961 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.360 0.684 -14.330 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.113 -0.301 -15.069 1.00 10.00 H new ATOM 1434 N ARG A 91 0.785 1.804 -12.353 1.00 10.00 N ATOM 1435 CA ARG A 91 0.131 1.800 -11.054 1.00 10.00 C ATOM 1436 C ARG A 91 -1.137 0.929 -11.077 1.00 10.00 C ATOM 1437 O ARG A 91 -1.465 0.264 -10.098 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.150 3.252 -10.653 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.562 3.370 -9.181 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.077 3.417 -8.984 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.624 4.743 -9.334 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.242 5.076 -10.482 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.412 4.174 -11.460 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.696 6.322 -10.641 1.00 10.00 N ATOM 0 H ARG A 91 0.882 2.731 -12.767 1.00 10.00 H new ATOM 0 HA ARG A 91 0.780 1.353 -10.301 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.740 3.856 -10.830 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.941 3.656 -11.285 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.156 2.524 -8.627 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.118 4.271 -8.757 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.550 2.652 -9.600 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -2.318 3.184 -7.947 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.523 5.480 -8.636 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -3.071 3.220 -11.339 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.882 4.442 -12.325 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -3.572 7.009 -9.897 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.166 6.587 -11.507 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.867 0.940 -12.191 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.066 0.143 -12.386 1.00 10.00 C ATOM 1460 C GLU A 92 -2.707 -1.341 -12.522 1.00 10.00 C ATOM 1461 O GLU A 92 -3.273 -2.190 -11.827 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.812 0.692 -13.607 1.00 10.00 C ATOM 1463 CG GLU A 92 -4.986 -0.205 -13.994 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.067 0.598 -14.699 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.941 0.765 -15.930 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.978 1.056 -13.980 1.00 10.00 O ATOM 0 H GLU A 92 -1.632 1.518 -12.998 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.725 0.214 -11.521 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.176 1.697 -13.391 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.124 0.776 -14.448 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.638 -1.006 -14.646 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.399 -0.676 -13.102 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.745 -1.658 -13.395 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.211 -3.017 -13.522 1.00 10.00 C ATOM 1475 C ASP A 93 -0.829 -3.540 -12.128 1.00 10.00 C ATOM 1476 O ASP A 93 -1.138 -4.672 -11.757 1.00 10.00 O ATOM 1477 CB ASP A 93 0.013 -3.018 -14.452 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.317 -2.865 -15.932 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.509 -3.028 -16.284 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.644 -2.626 -16.695 1.00 10.00 O ATOM 0 H ASP A 93 -1.317 -0.984 -14.030 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.969 -3.670 -13.955 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.679 -2.208 -14.156 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.561 -3.949 -14.309 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.200 -2.678 -11.325 1.00 10.00 N ATOM 1486 CA LEU A 94 0.123 -2.934 -9.928 1.00 10.00 C ATOM 1487 C LEU A 94 -1.087 -3.487 -9.164 1.00 10.00 C ATOM 1488 O LEU A 94 -1.011 -4.592 -8.621 1.00 10.00 O ATOM 1489 CB LEU A 94 0.660 -1.646 -9.286 1.00 10.00 C ATOM 1490 CG LEU A 94 1.882 -1.869 -8.406 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.453 -0.502 -8.038 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.518 -2.607 -7.135 1.00 10.00 C ATOM 0 H LEU A 94 0.105 -1.758 -11.642 1.00 10.00 H new ATOM 0 HA LEU A 94 0.897 -3.700 -9.877 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.914 -0.936 -10.073 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.130 -1.191 -8.688 1.00 10.00 H new ATOM 0 HG LEU A 94 2.609 -2.471 -8.952 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.332 -0.633 -7.406 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.735 0.031 -8.946 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.701 0.073 -7.499 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.412 -2.750 -6.529 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.788 -2.025 -6.573 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.091 -3.578 -7.387 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.202 -2.739 -9.130 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.449 -3.196 -8.522 1.00 10.00 C ATOM 1506 C ILE A 95 -3.814 -4.580 -9.048 1.00 10.00 C ATOM 1507 O ILE A 95 -4.215 -5.440 -8.270 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.596 -2.175 -8.728 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.630 -1.148 -7.594 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.988 -2.827 -8.776 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.598 -0.037 -7.749 1.00 10.00 C ATOM 0 H ILE A 95 -2.258 -1.800 -9.525 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.297 -3.273 -7.445 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.383 -1.706 -9.688 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.625 -0.705 -7.545 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.462 -1.659 -6.646 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.746 -2.057 -8.922 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.029 -3.538 -9.602 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.178 -3.349 -7.838 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.679 0.654 -6.910 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.598 -0.470 -7.767 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.778 0.500 -8.680 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.704 -4.793 -10.359 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.020 -6.083 -10.965 1.00 10.00 C ATOM 1525 C ALA A 96 -3.327 -7.234 -10.256 1.00 10.00 C ATOM 1526 O ALA A 96 -3.973 -8.207 -9.873 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.619 -6.108 -12.428 1.00 10.00 C ATOM 0 H ALA A 96 -3.396 -4.083 -11.024 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.099 -6.209 -10.870 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.865 -7.080 -12.856 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.157 -5.328 -12.966 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.546 -5.935 -12.514 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.007 -7.119 -10.099 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.274 -8.110 -9.341 1.00 10.00 C ATOM 1535 C TYR A 97 -1.806 -8.140 -7.925 1.00 10.00 C ATOM 1536 O TYR A 97 -2.338 -9.161 -7.503 1.00 10.00 O ATOM 1537 CB TYR A 97 0.218 -7.816 -9.333 1.00 10.00 C ATOM 1538 CG TYR A 97 0.990 -8.657 -8.340 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.026 -10.057 -8.483 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.651 -8.046 -7.259 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.800 -10.832 -7.603 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.446 -8.821 -6.399 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.552 -10.207 -6.595 1.00 10.00 C ATOM 1544 OH TYR A 97 3.432 -10.943 -5.861 1.00 10.00 O ATOM 0 H TYR A 97 -1.441 -6.362 -10.482 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.413 -9.082 -9.814 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.620 -7.986 -10.332 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.372 -6.762 -9.103 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.459 -10.535 -9.268 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.547 -6.984 -7.091 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.817 -11.907 -7.702 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.977 -8.350 -5.585 1.00 10.00 H new ATOM 0 HH TYR A 97 3.875 -10.365 -5.205 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.636 -7.026 -7.210 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.988 -6.887 -5.806 1.00 10.00 C ATOM 1556 C LEU A 98 -3.297 -7.606 -5.472 1.00 10.00 C ATOM 1557 O LEU A 98 -3.319 -8.382 -4.519 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.026 -5.403 -5.411 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.995 -5.017 -4.332 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.027 -3.978 -4.876 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.675 -4.443 -3.091 1.00 10.00 C ATOM 0 H LEU A 98 -1.238 -6.175 -7.608 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.214 -7.373 -5.212 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.852 -4.796 -6.300 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.025 -5.159 -5.049 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.459 -5.925 -4.057 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.696 -3.714 -4.104 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.498 -4.387 -5.740 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.580 -3.087 -5.175 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.919 -4.181 -2.350 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.239 -3.551 -3.365 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.353 -5.186 -2.671 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.360 -7.354 -6.250 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.669 -7.988 -6.114 1.00 10.00 C ATOM 1575 C LYS A 99 -5.539 -9.489 -5.890 1.00 10.00 C ATOM 1576 O LYS A 99 -6.068 -10.008 -4.910 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.564 -7.715 -7.339 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.268 -6.352 -7.244 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.457 -6.211 -8.216 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.080 -5.710 -9.624 1.00 10.00 C ATOM 1581 NZ LYS A 99 -8.791 -4.453 -9.990 1.00 10.00 N ATOM 0 H LYS A 99 -4.325 -6.680 -7.015 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.143 -7.545 -5.238 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.959 -7.748 -8.245 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.311 -8.504 -7.425 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.622 -6.204 -6.224 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.545 -5.562 -7.448 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.950 -7.179 -8.309 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.184 -5.524 -7.783 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -7.004 -5.542 -9.671 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.314 -6.483 -10.356 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -8.504 -4.157 -10.945 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.818 -4.617 -9.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -8.548 -3.706 -9.308 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.842 -10.183 -6.792 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.552 -11.579 -6.591 1.00 10.00 C ATOM 1597 C LYS A 100 -3.587 -11.679 -5.409 1.00 10.00 C ATOM 1598 O LYS A 100 -3.932 -12.286 -4.410 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.018 -12.186 -7.898 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.520 -13.613 -7.652 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.341 -14.734 -8.302 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.758 -15.204 -9.643 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.880 -16.670 -9.781 1.00 10.00 N ATOM 0 H LYS A 100 -4.475 -9.792 -7.660 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.440 -12.161 -6.343 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.804 -12.192 -8.653 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.206 -11.572 -8.288 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.494 -13.686 -8.013 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.493 -13.787 -6.576 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.394 -15.581 -7.618 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.362 -14.386 -8.458 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.279 -14.712 -10.464 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -2.710 -14.913 -9.711 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.480 -16.967 -10.694 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -3.363 -17.136 -9.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -4.883 -16.940 -9.738 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.398 -11.086 -5.521 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.251 -11.293 -4.644 1.00 10.00 C ATOM 1619 C ALA A 101 -1.660 -11.397 -3.176 1.00 10.00 C ATOM 1620 O ALA A 101 -1.487 -12.429 -2.533 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.254 -10.151 -4.852 1.00 10.00 C ATOM 0 H ALA A 101 -2.202 -10.415 -6.264 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.785 -12.243 -4.903 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.607 -10.297 -4.200 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.075 -10.140 -5.891 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.733 -9.202 -4.613 1.00 10.00 H new ATOM 1627 N THR A 102 -2.264 -10.321 -2.676 1.00 10.00 N ATOM 1628 CA THR A 102 -2.742 -10.209 -1.307 1.00 10.00 C ATOM 1629 C THR A 102 -3.619 -11.393 -0.902 1.00 10.00 C ATOM 1630 O THR A 102 -3.544 -11.861 0.234 1.00 10.00 O ATOM 1631 CB THR A 102 -3.540 -8.913 -1.192 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.547 -8.852 -2.178 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.613 -7.703 -1.294 1.00 10.00 C ATOM 0 H THR A 102 -2.437 -9.482 -3.230 1.00 10.00 H new ATOM 0 HA THR A 102 -1.884 -10.206 -0.635 1.00 10.00 H new ATOM 0 HB THR A 102 -4.023 -8.897 -0.215 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.170 -8.495 -3.009 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.199 -6.788 -1.210 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.878 -7.739 -0.490 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.099 -7.718 -2.255 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.467 -11.823 -1.836 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.467 -12.867 -1.698 1.00 10.00 C ATOM 1643 C ASN A 103 -4.980 -14.194 -2.301 1.00 10.00 C ATOM 1644 O ASN A 103 -5.817 -15.065 -2.526 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.752 -12.378 -2.401 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.017 -12.557 -1.567 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.087 -13.369 -0.651 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.040 -11.756 -1.856 1.00 10.00 N ATOM 0 H ASN A 103 -4.469 -11.419 -2.773 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.661 -13.060 -0.643 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.639 -11.323 -2.651 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.868 -12.918 -3.341 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.901 -11.811 -1.312 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.963 -11.087 -2.622 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.659 -14.313 -2.530 1.00 10.00 N ATOM 1656 CA GLU A 104 -2.919 -15.378 -3.194 1.00 10.00 C ATOM 1657 C GLU A 104 -3.319 -15.665 -4.659 1.00 10.00 C ATOM 1658 O GLU A 104 -2.408 -16.031 -5.439 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.731 -16.603 -2.287 1.00 10.00 C ATOM 1660 CG GLU A 104 -4.021 -17.328 -1.888 1.00 10.00 C ATOM 1661 CD GLU A 104 -3.738 -18.692 -1.272 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -3.203 -19.549 -2.008 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -4.047 -18.853 -0.072 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.494 -15.463 -5.035 1.00 10.00 O ATOM 0 H GLU A 104 -3.024 -13.579 -2.216 1.00 10.00 H new ATOM 0 HA GLU A 104 -1.914 -14.984 -3.347 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.077 -17.313 -2.794 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.216 -16.287 -1.380 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.576 -16.716 -1.177 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -4.655 -17.451 -2.766 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.297 4.813 0.572 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.645 3.534 0.343 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.111 2.714 1.263 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.339 3.540 2.087 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.450 4.833 1.659 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.605 5.624 0.036 1.00 10.00 H new HETATM 0 H5 IMD A 105 1.964 5.708 2.092 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.743 3.205 2.936 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.278 3.206 -0.482 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.270 0.740 1.352 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.785 0.922 3.731 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.977 -0.024 -1.006 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.720 1.036 -0.934 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.608 0.810 3.886 1.00 10.00 C HETATM 1686 NA HEC A 110 1.281 0.479 1.368 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.456 0.619 2.447 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.906 0.412 2.018 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.863 0.185 0.660 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.534 0.184 0.279 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.039 0.150 -0.298 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.138 0.540 2.894 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.356 -0.588 3.921 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.143 -0.159 5.388 1.00 10.00 C HETATM 1695 O1A HEC A 110 -1.341 -0.838 6.068 1.00 10.00 O HETATM 1696 O2A HEC A 110 -2.759 0.839 5.838 1.00 10.00 O HETATM 1697 NB HEC A 110 3.334 0.573 -0.589 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.294 0.175 -1.375 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.806 -0.035 -2.713 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.133 0.337 -2.698 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.449 0.710 -1.344 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.076 -0.688 -3.871 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.139 0.180 -3.823 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.644 0.758 -5.153 1.00 10.00 C HETATM 1705 NC HEC A 110 5.283 0.943 1.461 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.086 1.032 0.378 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.458 1.067 0.818 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.434 0.925 2.187 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.042 0.822 2.579 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.680 1.122 -0.079 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.622 0.927 3.129 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.794 1.868 2.812 1.00 10.00 C HETATM 1713 ND HEC A 110 3.217 0.883 3.410 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.281 0.908 4.234 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.821 1.135 5.588 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.454 1.225 5.538 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.076 1.000 4.164 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.672 1.341 6.822 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.538 1.586 6.692 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.574 3.071 7.107 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.511 4.065 5.932 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.527 4.840 5.850 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.458 4.051 5.110 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.301 0.465 6.981 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.302 2.220 6.687 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.027 1.487 7.689 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.697 0.244 -0.725 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.641 2.023 -0.692 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.581 1.139 0.534 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.809 -1.710 -3.603 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.171 -0.123 -4.096 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.723 -0.701 -4.748 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.732 -0.635 0.005 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.551 1.112 -0.281 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.680 -0.053 -1.307 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.738 3.268 7.778 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.487 3.255 7.673 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.208 1.617 1.836 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.440 2.899 2.802 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.566 1.757 3.573 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.729 0.248 -5.454 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.443 1.823 -5.035 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.407 0.615 -5.918 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -3.370 -0.973 3.811 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.676 -1.409 3.692 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.515 1.324 6.421 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.806 0.976 7.555 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.081 1.487 3.431 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -3.015 0.591 2.249 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.349 0.719 4.680 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.461 1.307 -1.686 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.264 -0.358 -1.760 1.00 10.00 H new HETATM 0 HHA HEC A 110 -0.017 1.111 4.445 1.00 10.00 H new HETATM 0 H2D HEC A 110 3.278 3.761 5.561 1.00 10.00 H new HETATM 0 H2A HEC A 110 -2.222 1.646 5.695 1.00 10.00 H new