USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN : amide:sc= -1.43! K(o=-1.6!,f=-0.99) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -0.202 X(o=-1.6,f=-1.7) USER MOD Set 2.1: A 50 GLN : amide:sc= -0.333 K(o=-1.9,f=-7.2!) USER MOD Set 2.2: A 76 ASN : amide:sc= -1.57! K(o=-1.9!,f=-0.68) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 38 ASN : amide:sc= 1.8 K(o=3,f=0.29) USER MOD Set 3.3: A 40 TYR OH : rot -129:sc= 1.2 USER MOD Set 4.1: A 32 TYR OH : rot -86:sc= 0.716 USER MOD Set 4.2: A 45 GLN : amide:sc= 0.634 K(o=1.3,f=-0.6) USER MOD Set 5.1: A 13 ASN : amide:sc= 0.00279 K(o=0.0048,f=1.1) USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0.00203 USER MOD Set 6.1: A 1 MET CE :methyl -131:sc= -0.24 (180deg=-0.568) USER MOD Set 6.2: A 3 THR OG1 : rot -76:sc= 1.45 USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.571 (180deg=0.448) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0194 (180deg=-0.204) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.338 USER MOD Single : A 25 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0063) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0126 (180deg=-0.139) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 49 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0201) USER MOD Single : A 56 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.48) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -30:sc= 1.31 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 1.02 (180deg=-0.923) USER MOD Single : A 65 MET CE :methyl 134:sc= -0.29 (180deg=-2.41!) USER MOD Single : A 66 ASN : amide:sc= -3.36! C(o=-3.4!,f=-9.2!) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0181 (180deg=-0.184) USER MOD Single : A 70 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.61) USER MOD Single : A 72 SER OG : rot 72:sc= 0.268 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.61! C(o=-2.6!,f=-8.3!) USER MOD Single : A 82 SER OG : rot -18:sc= 0.237 USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= -0.0132 (180deg=-0.139) USER MOD Single : A 86 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.253) USER MOD Single : A 97 GLN : amide:sc= -2.25! K(o=-2.3!,f=-0.25) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= -0.0648 (180deg=-0.334) USER MOD Single : A 106 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.65) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HE2:sc= -2! C(o=-2!,f=-6.4!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.084 -0.979 1.413 1.00 0.00 N ATOM 2 CA MET A 1 -6.276 -0.170 1.083 1.00 0.00 C ATOM 3 C MET A 1 -7.524 -1.034 1.211 1.00 0.00 C ATOM 4 O MET A 1 -7.723 -1.966 0.441 1.00 0.00 O ATOM 5 CB MET A 1 -6.144 0.382 -0.342 1.00 0.00 C ATOM 6 CG MET A 1 -6.976 1.627 -0.624 1.00 0.00 C ATOM 7 SD MET A 1 -8.753 1.341 -0.542 1.00 0.00 S ATOM 8 CE MET A 1 -9.361 2.921 -1.130 1.00 0.00 C ATOM 0 H1 MET A 1 -4.272 -0.350 1.576 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.269 -1.535 2.272 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.871 -1.622 0.624 1.00 0.00 H new ATOM 0 HA MET A 1 -6.357 0.669 1.774 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.096 0.612 -0.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.432 -0.398 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.708 2.403 0.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.723 2.006 -1.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.128 3.292 -0.450 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.538 3.635 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.787 2.799 -2.126 1.00 0.00 H new ATOM 20 N PHE A 2 -8.338 -0.750 2.213 1.00 0.00 N ATOM 21 CA PHE A 2 -9.558 -1.511 2.446 1.00 0.00 C ATOM 22 C PHE A 2 -10.774 -0.611 2.298 1.00 0.00 C ATOM 23 O PHE A 2 -11.002 0.273 3.121 1.00 0.00 O ATOM 24 CB PHE A 2 -9.545 -2.142 3.842 1.00 0.00 C ATOM 25 CG PHE A 2 -8.376 -3.058 4.084 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.386 -4.359 3.606 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.267 -2.616 4.788 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.313 -5.203 3.830 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.192 -3.456 5.013 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.215 -4.750 4.533 1.00 0.00 C ATOM 0 H PHE A 2 -8.177 0.004 2.881 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.610 -2.308 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.533 -1.348 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.469 -2.702 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.241 -4.718 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.242 -1.604 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.334 -6.216 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.334 -3.100 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.375 -5.407 4.707 1.00 0.00 H new ATOM 40 N THR A 3 -11.543 -0.828 1.246 1.00 0.00 N ATOM 41 CA THR A 3 -12.703 0.001 0.977 1.00 0.00 C ATOM 42 C THR A 3 -13.991 -0.756 1.280 1.00 0.00 C ATOM 43 O THR A 3 -14.155 -1.904 0.869 1.00 0.00 O ATOM 44 CB THR A 3 -12.725 0.462 -0.491 1.00 0.00 C ATOM 45 OG1 THR A 3 -11.476 0.152 -1.125 1.00 0.00 O ATOM 46 CG2 THR A 3 -12.979 1.958 -0.581 1.00 0.00 C ATOM 0 H THR A 3 -11.385 -1.571 0.565 1.00 0.00 H new ATOM 0 HA THR A 3 -12.635 0.875 1.625 1.00 0.00 H new ATOM 0 HB THR A 3 -13.532 -0.065 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.793 0.792 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.991 2.263 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.941 2.192 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.188 2.494 -0.056 1.00 0.00 H new ATOM 54 N ALA A 4 -14.889 -0.121 2.013 1.00 0.00 N ATOM 55 CA ALA A 4 -16.185 -0.708 2.313 1.00 0.00 C ATOM 56 C ALA A 4 -17.300 0.240 1.895 1.00 0.00 C ATOM 57 O ALA A 4 -17.208 1.449 2.114 1.00 0.00 O ATOM 58 CB ALA A 4 -16.287 -1.036 3.793 1.00 0.00 C ATOM 0 H ALA A 4 -14.744 0.806 2.414 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.290 -1.635 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.263 -1.475 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.505 -1.745 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.167 -0.124 4.377 1.00 0.00 H new ATOM 64 N LYS A 5 -18.341 -0.304 1.283 1.00 0.00 N ATOM 65 CA LYS A 5 -19.461 0.506 0.825 1.00 0.00 C ATOM 66 C LYS A 5 -20.788 -0.195 1.088 1.00 0.00 C ATOM 67 O LYS A 5 -20.915 -1.403 0.879 1.00 0.00 O ATOM 68 CB LYS A 5 -19.331 0.810 -0.673 1.00 0.00 C ATOM 69 CG LYS A 5 -20.481 1.643 -1.222 1.00 0.00 C ATOM 70 CD LYS A 5 -20.376 1.860 -2.724 1.00 0.00 C ATOM 71 CE LYS A 5 -20.370 0.544 -3.480 1.00 0.00 C ATOM 72 NZ LYS A 5 -20.650 0.727 -4.928 1.00 0.00 N ATOM 0 H LYS A 5 -18.434 -1.302 1.092 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.442 1.441 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.393 1.337 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.277 -0.129 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.425 1.148 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.498 2.610 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -21.212 2.471 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.465 2.414 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.401 0.061 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.116 -0.124 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.636 -0.198 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -21.586 1.164 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.924 1.343 -5.347 1.00 0.00 H new ATOM 86 N LEU A 6 -21.769 0.573 1.550 1.00 0.00 N ATOM 87 CA LEU A 6 -23.121 0.063 1.736 1.00 0.00 C ATOM 88 C LEU A 6 -23.740 -0.315 0.400 1.00 0.00 C ATOM 89 O LEU A 6 -23.899 0.532 -0.483 1.00 0.00 O ATOM 90 CB LEU A 6 -24.009 1.104 2.425 1.00 0.00 C ATOM 91 CG LEU A 6 -23.965 1.111 3.952 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.769 2.279 4.495 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.508 -0.201 4.496 1.00 0.00 C ATOM 0 H LEU A 6 -21.651 1.554 1.803 1.00 0.00 H new ATOM 0 HA LEU A 6 -23.054 -0.823 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.721 2.093 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -25.040 0.939 2.111 1.00 0.00 H new ATOM 0 HG LEU A 6 -22.929 1.222 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -24.730 2.273 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.350 3.214 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.805 2.190 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.472 -0.186 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.539 -0.332 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.902 -1.027 4.125 1.00 0.00 H new ATOM 105 N ILE A 7 -24.075 -1.583 0.251 1.00 0.00 N ATOM 106 CA ILE A 7 -24.757 -2.052 -0.944 1.00 0.00 C ATOM 107 C ILE A 7 -26.246 -2.198 -0.664 1.00 0.00 C ATOM 108 O ILE A 7 -27.047 -2.461 -1.562 1.00 0.00 O ATOM 109 CB ILE A 7 -24.182 -3.396 -1.447 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.321 -4.485 -0.376 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.731 -3.222 -1.855 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.840 -5.848 -0.826 1.00 0.00 C ATOM 0 H ILE A 7 -23.886 -2.309 0.943 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.599 -1.312 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.753 -3.713 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.759 -4.185 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.367 -4.559 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.335 -4.175 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.664 -2.483 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.150 -2.883 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.970 -6.565 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.418 -6.170 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.785 -5.791 -1.095 1.00 0.00 H new ATOM 124 N LYS A 8 -26.604 -2.010 0.598 1.00 0.00 N ATOM 125 CA LYS A 8 -27.984 -2.101 1.035 1.00 0.00 C ATOM 126 C LYS A 8 -28.267 -1.006 2.056 1.00 0.00 C ATOM 127 O LYS A 8 -27.496 -0.819 2.996 1.00 0.00 O ATOM 128 CB LYS A 8 -28.247 -3.473 1.660 1.00 0.00 C ATOM 129 CG LYS A 8 -29.713 -3.754 1.939 1.00 0.00 C ATOM 130 CD LYS A 8 -29.889 -5.071 2.677 1.00 0.00 C ATOM 131 CE LYS A 8 -31.357 -5.411 2.875 1.00 0.00 C ATOM 132 NZ LYS A 8 -32.046 -5.670 1.584 1.00 0.00 N ATOM 0 H LYS A 8 -25.945 -1.791 1.345 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.641 -1.974 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.860 -4.244 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.689 -3.549 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.135 -2.943 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -30.266 -3.784 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.402 -5.870 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.394 -5.014 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.443 -6.289 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.853 -4.590 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.964 -6.123 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -32.196 -4.770 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -31.460 -6.298 0.998 1.00 0.00 H new ATOM 146 N GLY A 9 -29.351 -0.274 1.859 1.00 0.00 N ATOM 147 CA GLY A 9 -29.729 0.744 2.816 1.00 0.00 C ATOM 148 C GLY A 9 -29.524 2.145 2.280 1.00 0.00 C ATOM 149 O GLY A 9 -29.907 2.445 1.147 1.00 0.00 O ATOM 0 H GLY A 9 -29.974 -0.365 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.776 0.612 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.144 0.617 3.727 1.00 0.00 H new ATOM 153 N LYS A 10 -28.905 2.997 3.088 1.00 0.00 N ATOM 154 CA LYS A 10 -28.713 4.397 2.740 1.00 0.00 C ATOM 155 C LYS A 10 -27.660 5.030 3.646 1.00 0.00 C ATOM 156 O LYS A 10 -26.721 5.660 3.168 1.00 0.00 O ATOM 157 CB LYS A 10 -30.043 5.163 2.828 1.00 0.00 C ATOM 158 CG LYS A 10 -30.799 4.948 4.133 1.00 0.00 C ATOM 159 CD LYS A 10 -32.132 5.681 4.144 1.00 0.00 C ATOM 160 CE LYS A 10 -33.066 5.174 3.055 1.00 0.00 C ATOM 161 NZ LYS A 10 -34.382 5.864 3.093 1.00 0.00 N ATOM 0 H LYS A 10 -28.524 2.738 3.998 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.358 4.454 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -29.845 6.228 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.680 4.860 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.970 3.882 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.188 5.293 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.607 5.556 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.961 6.749 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.604 5.326 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -33.214 4.101 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -34.991 5.492 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -34.834 5.698 4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.243 6.885 2.954 1.00 0.00 H new ATOM 175 N THR A 11 -27.812 4.836 4.951 1.00 0.00 N ATOM 176 CA THR A 11 -26.871 5.364 5.933 1.00 0.00 C ATOM 177 C THR A 11 -26.730 4.395 7.103 1.00 0.00 C ATOM 178 O THR A 11 -27.726 3.864 7.599 1.00 0.00 O ATOM 179 CB THR A 11 -27.323 6.741 6.468 1.00 0.00 C ATOM 180 OG1 THR A 11 -28.722 6.711 6.782 1.00 0.00 O ATOM 181 CG2 THR A 11 -27.047 7.850 5.461 1.00 0.00 C ATOM 0 H THR A 11 -28.587 4.311 5.357 1.00 0.00 H new ATOM 0 HA THR A 11 -25.910 5.484 5.433 1.00 0.00 H new ATOM 0 HB THR A 11 -26.749 6.952 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.000 7.587 7.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 -27.378 8.804 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.978 7.895 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 -27.588 7.645 4.537 1.00 0.00 H new ATOM 189 N TYR A 12 -25.499 4.148 7.530 1.00 0.00 N ATOM 190 CA TYR A 12 -25.249 3.251 8.650 1.00 0.00 C ATOM 191 C TYR A 12 -24.026 3.716 9.434 1.00 0.00 C ATOM 192 O TYR A 12 -22.963 3.946 8.859 1.00 0.00 O ATOM 193 CB TYR A 12 -25.050 1.816 8.148 1.00 0.00 C ATOM 194 CG TYR A 12 -25.056 0.779 9.247 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.252 0.266 9.733 1.00 0.00 C ATOM 196 CD2 TYR A 12 -23.872 0.315 9.799 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.266 -0.678 10.739 1.00 0.00 C ATOM 198 CE2 TYR A 12 -23.876 -0.632 10.807 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.076 -1.124 11.273 1.00 0.00 C ATOM 200 OH TYR A 12 -25.086 -2.062 12.280 1.00 0.00 O ATOM 0 H TYR A 12 -24.659 4.555 7.119 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.114 3.268 9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.838 1.579 7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.103 1.757 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.186 0.612 9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.930 0.700 9.436 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.205 -1.066 11.106 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -22.945 -0.984 11.226 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.165 -2.269 12.543 1.00 0.00 H new ATOM 210 N ASN A 13 -24.182 3.860 10.742 1.00 0.00 N ATOM 211 CA ASN A 13 -23.101 4.346 11.592 1.00 0.00 C ATOM 212 C ASN A 13 -22.371 3.186 12.254 1.00 0.00 C ATOM 213 O ASN A 13 -22.905 2.540 13.157 1.00 0.00 O ATOM 214 CB ASN A 13 -23.641 5.285 12.676 1.00 0.00 C ATOM 215 CG ASN A 13 -24.397 6.473 12.115 1.00 0.00 C ATOM 216 OD1 ASN A 13 -25.611 6.410 11.915 1.00 0.00 O ATOM 217 ND2 ASN A 13 -23.692 7.563 11.861 1.00 0.00 N ATOM 0 H ASN A 13 -25.047 3.647 11.240 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.404 4.894 10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.300 4.724 13.339 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -22.810 5.645 13.283 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.152 8.392 11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.688 7.574 12.041 1.00 0.00 H new ATOM 224 N VAL A 14 -21.155 2.919 11.803 1.00 0.00 N ATOM 225 CA VAL A 14 -20.332 1.884 12.410 1.00 0.00 C ATOM 226 C VAL A 14 -19.375 2.503 13.418 1.00 0.00 C ATOM 227 O VAL A 14 -18.307 2.998 13.049 1.00 0.00 O ATOM 228 CB VAL A 14 -19.529 1.086 11.358 1.00 0.00 C ATOM 229 CG1 VAL A 14 -18.680 0.010 12.021 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.460 0.467 10.332 1.00 0.00 C ATOM 0 H VAL A 14 -20.717 3.404 11.020 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.005 1.189 12.913 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.861 1.780 10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.125 -0.537 11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.980 0.475 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.326 -0.680 12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.876 -0.091 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.155 -0.208 10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.019 1.254 9.826 1.00 0.00 H new ATOM 240 N MET A 15 -19.790 2.496 14.686 1.00 0.00 N ATOM 241 CA MET A 15 -19.011 3.069 15.787 1.00 0.00 C ATOM 242 C MET A 15 -18.880 4.582 15.638 1.00 0.00 C ATOM 243 O MET A 15 -19.614 5.341 16.273 1.00 0.00 O ATOM 244 CB MET A 15 -17.622 2.423 15.896 1.00 0.00 C ATOM 245 CG MET A 15 -17.655 0.953 16.280 1.00 0.00 C ATOM 246 SD MET A 15 -16.007 0.234 16.408 1.00 0.00 S ATOM 247 CE MET A 15 -16.409 -1.433 16.930 1.00 0.00 C ATOM 0 H MET A 15 -20.679 2.091 14.980 1.00 0.00 H new ATOM 0 HA MET A 15 -19.554 2.856 16.708 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.108 2.527 14.941 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.035 2.968 16.635 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.171 0.842 17.234 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.232 0.400 15.539 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.491 -2.007 17.053 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.945 -1.398 17.878 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.036 -1.909 16.176 1.00 0.00 H new ATOM 257 N GLY A 16 -17.954 5.011 14.794 1.00 0.00 N ATOM 258 CA GLY A 16 -17.762 6.425 14.550 1.00 0.00 C ATOM 259 C GLY A 16 -17.649 6.734 13.071 1.00 0.00 C ATOM 260 O GLY A 16 -17.519 7.893 12.677 1.00 0.00 O ATOM 0 H GLY A 16 -17.328 4.400 14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.597 6.983 14.975 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.860 6.762 15.061 1.00 0.00 H new ATOM 264 N ILE A 17 -17.701 5.694 12.248 1.00 0.00 N ATOM 265 CA ILE A 17 -17.599 5.858 10.806 1.00 0.00 C ATOM 266 C ILE A 17 -18.985 5.755 10.176 1.00 0.00 C ATOM 267 O ILE A 17 -19.622 4.700 10.221 1.00 0.00 O ATOM 268 CB ILE A 17 -16.661 4.807 10.148 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.226 4.889 10.697 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.639 4.999 8.637 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.053 4.332 12.097 1.00 0.00 C ATOM 0 H ILE A 17 -17.813 4.728 12.556 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.167 6.843 10.628 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.057 3.821 10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.561 4.351 10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.909 5.932 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.979 4.258 8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.647 4.877 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.275 5.999 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.011 4.431 12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.688 4.885 12.789 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.335 3.279 12.107 1.00 0.00 H new ATOM 283 N THR A 18 -19.454 6.854 9.615 1.00 0.00 N ATOM 284 CA THR A 18 -20.761 6.889 8.979 1.00 0.00 C ATOM 285 C THR A 18 -20.660 6.473 7.511 1.00 0.00 C ATOM 286 O THR A 18 -19.993 7.132 6.715 1.00 0.00 O ATOM 287 CB THR A 18 -21.377 8.299 9.076 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.366 8.736 10.444 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.806 8.308 8.548 1.00 0.00 C ATOM 0 H THR A 18 -18.948 7.739 9.586 1.00 0.00 H new ATOM 0 HA THR A 18 -21.406 6.184 9.503 1.00 0.00 H new ATOM 0 HB THR A 18 -20.781 8.978 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.756 9.633 10.504 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.217 9.314 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.810 7.996 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.415 7.620 9.134 1.00 0.00 H new ATOM 297 N PHE A 19 -21.305 5.370 7.167 1.00 0.00 N ATOM 298 CA PHE A 19 -21.318 4.883 5.796 1.00 0.00 C ATOM 299 C PHE A 19 -22.599 5.295 5.091 1.00 0.00 C ATOM 300 O PHE A 19 -23.646 5.457 5.724 1.00 0.00 O ATOM 301 CB PHE A 19 -21.187 3.361 5.756 1.00 0.00 C ATOM 302 CG PHE A 19 -19.856 2.855 6.220 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.804 2.726 5.329 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.659 2.500 7.542 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.579 2.254 5.751 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.436 2.028 7.970 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.396 1.906 7.074 1.00 0.00 C ATOM 0 H PHE A 19 -21.830 4.791 7.823 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.466 5.327 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.968 2.922 6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.360 3.018 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.944 2.998 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.472 2.593 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.765 2.157 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.294 1.755 9.005 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.437 1.538 7.407 1.00 0.00 H new ATOM 317 N ARG A 20 -22.507 5.457 3.782 1.00 0.00 N ATOM 318 CA ARG A 20 -23.652 5.817 2.964 1.00 0.00 C ATOM 319 C ARG A 20 -23.722 4.909 1.745 1.00 0.00 C ATOM 320 O ARG A 20 -22.693 4.586 1.148 1.00 0.00 O ATOM 321 CB ARG A 20 -23.554 7.283 2.535 1.00 0.00 C ATOM 322 CG ARG A 20 -23.794 8.260 3.676 1.00 0.00 C ATOM 323 CD ARG A 20 -23.249 9.647 3.367 1.00 0.00 C ATOM 324 NE ARG A 20 -23.780 10.204 2.121 1.00 0.00 N ATOM 325 CZ ARG A 20 -24.164 11.473 1.981 1.00 0.00 C ATOM 326 NH1 ARG A 20 -24.235 12.271 3.039 1.00 0.00 N ATOM 327 NH2 ARG A 20 -24.519 11.926 0.785 1.00 0.00 N ATOM 0 H ARG A 20 -21.639 5.343 3.258 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.563 5.689 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.566 7.465 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.280 7.473 1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.863 8.328 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.324 7.880 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.490 10.318 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.162 9.599 3.303 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.861 9.586 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.995 11.914 3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.529 13.241 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.497 11.304 -0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.813 12.896 0.674 1.00 0.00 H new ATOM 341 N ALA A 21 -24.926 4.463 1.405 1.00 0.00 N ATOM 342 CA ALA A 21 -25.127 3.624 0.231 1.00 0.00 C ATOM 343 C ALA A 21 -24.676 4.340 -1.037 1.00 0.00 C ATOM 344 O ALA A 21 -25.302 5.307 -1.478 1.00 0.00 O ATOM 345 CB ALA A 21 -26.584 3.208 0.118 1.00 0.00 C ATOM 0 H ALA A 21 -25.778 4.669 1.927 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.517 2.728 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.716 2.582 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.872 2.647 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.210 4.096 0.030 1.00 0.00 H new ATOM 351 N GLY A 22 -23.581 3.862 -1.610 1.00 0.00 N ATOM 352 CA GLY A 22 -23.031 4.480 -2.798 1.00 0.00 C ATOM 353 C GLY A 22 -21.706 5.166 -2.529 1.00 0.00 C ATOM 354 O GLY A 22 -21.077 5.692 -3.446 1.00 0.00 O ATOM 0 H GLY A 22 -23.061 3.053 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.895 3.722 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.742 5.208 -3.188 1.00 0.00 H new ATOM 358 N VAL A 23 -21.281 5.166 -1.268 1.00 0.00 N ATOM 359 CA VAL A 23 -20.020 5.788 -0.887 1.00 0.00 C ATOM 360 C VAL A 23 -19.061 4.761 -0.290 1.00 0.00 C ATOM 361 O VAL A 23 -19.322 4.197 0.774 1.00 0.00 O ATOM 362 CB VAL A 23 -20.234 6.927 0.135 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.917 7.618 0.460 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.251 7.929 -0.387 1.00 0.00 C ATOM 0 H VAL A 23 -21.793 4.742 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.588 6.205 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.623 6.490 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.093 8.416 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.221 6.894 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.493 8.040 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.388 8.724 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.893 8.357 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.202 7.426 -0.559 1.00 0.00 H new ATOM 374 N SER A 24 -17.968 4.513 -0.993 1.00 0.00 N ATOM 375 CA SER A 24 -16.928 3.617 -0.509 1.00 0.00 C ATOM 376 C SER A 24 -15.960 4.372 0.399 1.00 0.00 C ATOM 377 O SER A 24 -15.411 5.404 0.012 1.00 0.00 O ATOM 378 CB SER A 24 -16.166 3.013 -1.690 1.00 0.00 C ATOM 379 OG SER A 24 -17.041 2.346 -2.585 1.00 0.00 O ATOM 0 H SER A 24 -17.776 4.922 -1.907 1.00 0.00 H new ATOM 0 HA SER A 24 -17.396 2.815 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.631 3.801 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.417 2.312 -1.321 1.00 0.00 H new ATOM 0 HG SER A 24 -16.525 1.972 -3.330 1.00 0.00 H new ATOM 385 N GLN A 25 -15.757 3.863 1.605 1.00 0.00 N ATOM 386 CA GLN A 25 -14.860 4.499 2.560 1.00 0.00 C ATOM 387 C GLN A 25 -13.868 3.483 3.114 1.00 0.00 C ATOM 388 O GLN A 25 -14.167 2.291 3.179 1.00 0.00 O ATOM 389 CB GLN A 25 -15.666 5.147 3.689 1.00 0.00 C ATOM 390 CG GLN A 25 -16.553 6.287 3.208 1.00 0.00 C ATOM 391 CD GLN A 25 -17.420 6.880 4.299 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.738 8.068 4.275 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.817 6.062 5.260 1.00 0.00 N ATOM 0 H GLN A 25 -16.201 3.011 1.946 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.296 5.279 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.286 4.389 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.980 5.523 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.925 7.072 2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.193 5.924 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.533 5.083 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.407 6.411 6.015 1.00 0.00 H new ATOM 402 N THR A 26 -12.691 3.956 3.497 1.00 0.00 N ATOM 403 CA THR A 26 -11.631 3.083 3.978 1.00 0.00 C ATOM 404 C THR A 26 -11.831 2.702 5.443 1.00 0.00 C ATOM 405 O THR A 26 -12.217 3.535 6.266 1.00 0.00 O ATOM 406 CB THR A 26 -10.255 3.749 3.794 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.367 5.165 4.005 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.703 3.481 2.404 1.00 0.00 C ATOM 0 H THR A 26 -12.445 4.946 3.484 1.00 0.00 H new ATOM 0 HA THR A 26 -11.671 2.170 3.384 1.00 0.00 H new ATOM 0 HB THR A 26 -9.568 3.323 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.489 5.584 3.888 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.731 3.962 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.594 2.407 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.388 3.882 1.657 1.00 0.00 H new ATOM 416 N VAL A 27 -11.577 1.435 5.756 1.00 0.00 N ATOM 417 CA VAL A 27 -11.743 0.934 7.114 1.00 0.00 C ATOM 418 C VAL A 27 -10.507 0.158 7.565 1.00 0.00 C ATOM 419 O VAL A 27 -9.758 -0.369 6.740 1.00 0.00 O ATOM 420 CB VAL A 27 -12.987 0.023 7.239 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.244 0.774 6.841 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.830 -1.243 6.405 1.00 0.00 C ATOM 0 H VAL A 27 -11.255 0.737 5.086 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.880 1.804 7.756 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.079 -0.274 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.107 0.115 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.373 1.638 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.156 1.109 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.720 -1.863 6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.700 -0.974 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.957 -1.799 6.748 1.00 0.00 H new ATOM 432 N PRO A 28 -10.259 0.112 8.882 1.00 0.00 N ATOM 433 CA PRO A 28 -9.168 -0.673 9.462 1.00 0.00 C ATOM 434 C PRO A 28 -9.469 -2.173 9.461 1.00 0.00 C ATOM 435 O PRO A 28 -10.592 -2.591 9.165 1.00 0.00 O ATOM 436 CB PRO A 28 -9.066 -0.154 10.908 1.00 0.00 C ATOM 437 CG PRO A 28 -9.961 1.040 10.977 1.00 0.00 C ATOM 438 CD PRO A 28 -10.996 0.849 9.910 1.00 0.00 C ATOM 0 HA PRO A 28 -8.246 -0.560 8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.378 -0.918 11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.039 0.113 11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.426 1.122 11.960 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.398 1.959 10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.856 0.287 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.373 1.801 9.535 1.00 0.00 H new ATOM 446 N LYS A 29 -8.458 -2.965 9.806 1.00 0.00 N ATOM 447 CA LYS A 29 -8.562 -4.425 9.838 1.00 0.00 C ATOM 448 C LYS A 29 -9.764 -4.895 10.658 1.00 0.00 C ATOM 449 O LYS A 29 -10.525 -5.764 10.223 1.00 0.00 O ATOM 450 CB LYS A 29 -7.282 -5.019 10.437 1.00 0.00 C ATOM 451 CG LYS A 29 -7.240 -6.538 10.412 1.00 0.00 C ATOM 452 CD LYS A 29 -6.192 -7.089 11.369 1.00 0.00 C ATOM 453 CE LYS A 29 -4.807 -6.522 11.093 1.00 0.00 C ATOM 454 NZ LYS A 29 -3.786 -7.092 12.010 1.00 0.00 N ATOM 0 H LYS A 29 -7.539 -2.613 10.073 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.698 -4.768 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.422 -4.632 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.183 -4.679 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.220 -6.933 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.023 -6.879 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.480 -6.856 12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.161 -8.175 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.527 -6.732 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.829 -5.438 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.856 -6.682 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.040 -6.870 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.747 -8.124 11.887 1.00 0.00 H new ATOM 468 N LYS A 30 -9.926 -4.317 11.844 1.00 0.00 N ATOM 469 CA LYS A 30 -10.995 -4.714 12.755 1.00 0.00 C ATOM 470 C LYS A 30 -12.367 -4.486 12.135 1.00 0.00 C ATOM 471 O LYS A 30 -13.238 -5.357 12.193 1.00 0.00 O ATOM 472 CB LYS A 30 -10.887 -3.942 14.070 1.00 0.00 C ATOM 473 CG LYS A 30 -9.584 -4.186 14.811 1.00 0.00 C ATOM 474 CD LYS A 30 -9.498 -3.350 16.075 1.00 0.00 C ATOM 475 CE LYS A 30 -8.166 -3.543 16.783 1.00 0.00 C ATOM 476 NZ LYS A 30 -7.962 -4.951 17.216 1.00 0.00 N ATOM 0 H LYS A 30 -9.329 -3.570 12.198 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.882 -5.780 12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.985 -2.876 13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.720 -4.221 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.502 -5.243 15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.743 -3.949 14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.629 -2.297 15.825 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.311 -3.622 16.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.356 -3.248 16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.119 -2.886 17.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.130 -5.006 17.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.802 -5.281 17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.811 -5.553 16.381 1.00 0.00 H new ATOM 490 N LEU A 31 -12.552 -3.324 11.524 1.00 0.00 N ATOM 491 CA LEU A 31 -13.834 -2.983 10.924 1.00 0.00 C ATOM 492 C LEU A 31 -14.060 -3.775 9.645 1.00 0.00 C ATOM 493 O LEU A 31 -15.197 -4.065 9.285 1.00 0.00 O ATOM 494 CB LEU A 31 -13.928 -1.481 10.653 1.00 0.00 C ATOM 495 CG LEU A 31 -13.930 -0.597 11.902 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.125 0.862 11.524 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.012 -1.043 12.873 1.00 0.00 C ATOM 0 H LEU A 31 -11.835 -2.605 11.431 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.618 -3.249 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.090 -1.188 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.839 -1.286 10.087 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.963 -0.700 12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.124 1.475 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.314 1.179 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.077 0.980 11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.997 -0.402 13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.986 -0.972 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.830 -2.075 13.172 1.00 0.00 H new ATOM 509 N TYR A 32 -12.972 -4.132 8.970 1.00 0.00 N ATOM 510 CA TYR A 32 -13.050 -4.981 7.788 1.00 0.00 C ATOM 511 C TYR A 32 -13.713 -6.308 8.148 1.00 0.00 C ATOM 512 O TYR A 32 -14.622 -6.768 7.460 1.00 0.00 O ATOM 513 CB TYR A 32 -11.648 -5.223 7.210 1.00 0.00 C ATOM 514 CG TYR A 32 -11.632 -6.054 5.942 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.556 -7.443 5.996 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.686 -5.451 4.691 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.537 -8.202 4.843 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.670 -6.206 3.532 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.595 -7.581 3.614 1.00 0.00 C ATOM 520 OH TYR A 32 -11.571 -8.339 2.464 1.00 0.00 O ATOM 0 H TYR A 32 -12.026 -3.846 9.222 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.651 -4.479 7.030 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.181 -4.260 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.037 -5.720 7.964 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.511 -7.935 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.741 -4.375 4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.477 -9.279 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.716 -5.721 2.568 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.642 -8.517 2.209 1.00 0.00 H new ATOM 530 N GLU A 33 -13.265 -6.904 9.248 1.00 0.00 N ATOM 531 CA GLU A 33 -13.834 -8.157 9.727 1.00 0.00 C ATOM 532 C GLU A 33 -15.263 -7.944 10.218 1.00 0.00 C ATOM 533 O GLU A 33 -16.153 -8.756 9.947 1.00 0.00 O ATOM 534 CB GLU A 33 -12.964 -8.739 10.847 1.00 0.00 C ATOM 535 CG GLU A 33 -13.516 -10.024 11.442 1.00 0.00 C ATOM 536 CD GLU A 33 -12.558 -10.681 12.410 1.00 0.00 C ATOM 537 OE1 GLU A 33 -12.511 -10.263 13.584 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.853 -11.627 12.001 1.00 0.00 O ATOM 0 H GLU A 33 -12.508 -6.538 9.825 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.859 -8.866 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.964 -8.929 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.861 -7.997 11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.453 -9.808 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.747 -10.722 10.637 1.00 0.00 H new ATOM 545 N TYR A 34 -15.478 -6.839 10.922 1.00 0.00 N ATOM 546 CA TYR A 34 -16.792 -6.509 11.459 1.00 0.00 C ATOM 547 C TYR A 34 -17.820 -6.376 10.337 1.00 0.00 C ATOM 548 O TYR A 34 -18.928 -6.909 10.426 1.00 0.00 O ATOM 549 CB TYR A 34 -16.716 -5.210 12.270 1.00 0.00 C ATOM 550 CG TYR A 34 -18.013 -4.831 12.952 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.385 -5.420 14.156 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.865 -3.883 12.396 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.566 -5.075 14.783 1.00 0.00 C ATOM 554 CE2 TYR A 34 -20.048 -3.534 13.018 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.394 -4.133 14.210 1.00 0.00 C ATOM 556 OH TYR A 34 -21.571 -3.787 14.835 1.00 0.00 O ATOM 0 H TYR A 34 -14.754 -6.153 11.135 1.00 0.00 H new ATOM 0 HA TYR A 34 -17.110 -7.319 12.116 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.937 -5.311 13.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.415 -4.398 11.608 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.740 -6.159 14.608 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.597 -3.412 11.462 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.840 -5.541 15.718 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.698 -2.796 12.573 1.00 0.00 H new ATOM 0 HH TYR A 34 -22.038 -3.110 14.302 1.00 0.00 H new ATOM 566 N LEU A 35 -17.448 -5.673 9.277 1.00 0.00 N ATOM 567 CA LEU A 35 -18.347 -5.471 8.147 1.00 0.00 C ATOM 568 C LEU A 35 -18.422 -6.723 7.284 1.00 0.00 C ATOM 569 O LEU A 35 -19.402 -6.935 6.576 1.00 0.00 O ATOM 570 CB LEU A 35 -17.908 -4.268 7.313 1.00 0.00 C ATOM 571 CG LEU A 35 -17.926 -2.932 8.059 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.494 -1.802 7.140 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.308 -2.659 8.634 1.00 0.00 C ATOM 0 H LEU A 35 -16.533 -5.234 9.175 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.343 -5.269 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.899 -4.448 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.558 -4.191 6.441 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.218 -2.990 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.513 -0.860 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.483 -1.992 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.176 -1.742 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.301 -1.705 9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.038 -2.622 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.577 -3.455 9.329 1.00 0.00 H new ATOM 585 N ASN A 36 -17.393 -7.558 7.354 1.00 0.00 N ATOM 586 CA ASN A 36 -17.403 -8.848 6.669 1.00 0.00 C ATOM 587 C ASN A 36 -18.507 -9.729 7.247 1.00 0.00 C ATOM 588 O ASN A 36 -19.072 -10.581 6.561 1.00 0.00 O ATOM 589 CB ASN A 36 -16.052 -9.551 6.819 1.00 0.00 C ATOM 590 CG ASN A 36 -15.973 -10.852 6.041 1.00 0.00 C ATOM 591 OD1 ASN A 36 -16.491 -10.964 4.930 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.344 -11.854 6.635 1.00 0.00 N ATOM 0 H ASN A 36 -16.539 -7.366 7.878 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.589 -8.676 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.261 -8.882 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.868 -9.753 7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.275 -12.760 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.928 -11.720 7.557 1.00 0.00 H new ATOM 599 N GLU A 37 -18.804 -9.512 8.526 1.00 0.00 N ATOM 600 CA GLU A 37 -19.877 -10.228 9.210 1.00 0.00 C ATOM 601 C GLU A 37 -21.248 -9.652 8.841 1.00 0.00 C ATOM 602 O GLU A 37 -22.285 -10.198 9.224 1.00 0.00 O ATOM 603 CB GLU A 37 -19.680 -10.143 10.726 1.00 0.00 C ATOM 604 CG GLU A 37 -18.373 -10.745 11.211 1.00 0.00 C ATOM 605 CD GLU A 37 -18.334 -12.249 11.060 1.00 0.00 C ATOM 606 OE1 GLU A 37 -18.764 -12.949 11.999 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.867 -12.736 10.010 1.00 0.00 O ATOM 0 H GLU A 37 -18.311 -8.840 9.114 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.842 -11.270 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.722 -9.097 11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.508 -10.652 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.546 -10.306 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.224 -10.485 12.259 1.00 0.00 H new ATOM 614 N ASN A 38 -21.248 -8.549 8.102 1.00 0.00 N ATOM 615 CA ASN A 38 -22.484 -7.870 7.729 1.00 0.00 C ATOM 616 C ASN A 38 -22.644 -7.840 6.208 1.00 0.00 C ATOM 617 O ASN A 38 -22.036 -7.018 5.526 1.00 0.00 O ATOM 618 CB ASN A 38 -22.507 -6.452 8.307 1.00 0.00 C ATOM 619 CG ASN A 38 -22.783 -6.434 9.803 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.936 -6.365 10.233 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.734 -6.500 10.610 1.00 0.00 N ATOM 0 H ASN A 38 -20.402 -8.104 7.748 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.325 -8.425 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.550 -5.969 8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.270 -5.867 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.867 -6.495 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.793 -6.556 10.220 1.00 0.00 H new ATOM 628 N PRO A 39 -23.489 -8.734 5.663 1.00 0.00 N ATOM 629 CA PRO A 39 -23.610 -8.960 4.211 1.00 0.00 C ATOM 630 C PRO A 39 -24.247 -7.802 3.432 1.00 0.00 C ATOM 631 O PRO A 39 -24.590 -7.961 2.259 1.00 0.00 O ATOM 632 CB PRO A 39 -24.504 -10.206 4.108 1.00 0.00 C ATOM 633 CG PRO A 39 -24.573 -10.772 5.486 1.00 0.00 C ATOM 634 CD PRO A 39 -24.392 -9.612 6.416 1.00 0.00 C ATOM 0 HA PRO A 39 -22.620 -9.065 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.497 -9.945 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.086 -10.930 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -25.530 -11.265 5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -23.796 -11.521 5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.339 -9.122 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.958 -9.919 7.367 1.00 0.00 H new ATOM 642 N TYR A 40 -24.406 -6.644 4.062 1.00 0.00 N ATOM 643 CA TYR A 40 -24.956 -5.486 3.368 1.00 0.00 C ATOM 644 C TYR A 40 -23.867 -4.469 3.043 1.00 0.00 C ATOM 645 O TYR A 40 -24.147 -3.345 2.616 1.00 0.00 O ATOM 646 CB TYR A 40 -26.106 -4.841 4.154 1.00 0.00 C ATOM 647 CG TYR A 40 -25.857 -4.633 5.629 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.292 -3.458 6.100 1.00 0.00 C ATOM 649 CD2 TYR A 40 -26.225 -5.601 6.553 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.095 -3.253 7.451 1.00 0.00 C ATOM 651 CE2 TYR A 40 -26.027 -5.406 7.906 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.462 -4.230 8.349 1.00 0.00 C ATOM 653 OH TYR A 40 -25.266 -4.026 9.695 1.00 0.00 O ATOM 0 H TYR A 40 -24.165 -6.482 5.040 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.372 -5.842 2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.333 -3.875 3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.994 -5.463 4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -25.001 -2.690 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -26.673 -6.521 6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -24.655 -2.331 7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -26.313 -6.171 8.613 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.786 -4.791 10.075 1.00 0.00 H new ATOM 663 N PHE A 41 -22.626 -4.883 3.231 1.00 0.00 N ATOM 664 CA PHE A 41 -21.476 -4.098 2.812 1.00 0.00 C ATOM 665 C PHE A 41 -20.689 -4.857 1.755 1.00 0.00 C ATOM 666 O PHE A 41 -20.479 -6.063 1.884 1.00 0.00 O ATOM 667 CB PHE A 41 -20.546 -3.806 3.994 1.00 0.00 C ATOM 668 CG PHE A 41 -20.987 -2.680 4.880 1.00 0.00 C ATOM 669 CD1 PHE A 41 -20.586 -1.383 4.612 1.00 0.00 C ATOM 670 CD2 PHE A 41 -21.780 -2.918 5.989 1.00 0.00 C ATOM 671 CE1 PHE A 41 -20.967 -0.341 5.433 1.00 0.00 C ATOM 672 CE2 PHE A 41 -22.167 -1.879 6.814 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.760 -0.588 6.536 1.00 0.00 C ATOM 0 H PHE A 41 -22.387 -5.769 3.676 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.846 -3.156 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.454 -4.709 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.552 -3.578 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -19.967 -1.184 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -22.099 -3.925 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -20.645 0.666 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -22.787 -2.076 7.676 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.061 0.225 7.180 1.00 0.00 H new ATOM 683 N ILE A 42 -20.269 -4.169 0.705 1.00 0.00 N ATOM 684 CA ILE A 42 -19.289 -4.741 -0.200 1.00 0.00 C ATOM 685 C ILE A 42 -17.918 -4.216 0.193 1.00 0.00 C ATOM 686 O ILE A 42 -17.756 -3.024 0.480 1.00 0.00 O ATOM 687 CB ILE A 42 -19.577 -4.433 -1.698 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.882 -5.469 -2.586 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.118 -3.027 -2.083 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.175 -5.303 -4.064 1.00 0.00 C ATOM 0 H ILE A 42 -20.585 -3.230 0.462 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.337 -5.826 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.655 -4.485 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.805 -5.404 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.190 -6.467 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.336 -2.849 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.645 -2.293 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.045 -2.935 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.648 -6.073 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.247 -5.398 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.841 -4.319 -4.393 1.00 0.00 H new ATOM 702 N LEU A 43 -16.948 -5.103 0.274 1.00 0.00 N ATOM 703 CA LEU A 43 -15.612 -4.704 0.657 1.00 0.00 C ATOM 704 C LEU A 43 -14.621 -5.049 -0.434 1.00 0.00 C ATOM 705 O LEU A 43 -14.737 -6.081 -1.098 1.00 0.00 O ATOM 706 CB LEU A 43 -15.194 -5.346 1.982 1.00 0.00 C ATOM 707 CG LEU A 43 -16.026 -4.921 3.194 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.163 -5.900 3.443 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.148 -4.783 4.424 1.00 0.00 C ATOM 0 H LEU A 43 -17.059 -6.098 0.081 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.616 -3.623 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.255 -6.429 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.149 -5.102 2.173 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.466 -3.947 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.739 -5.576 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.812 -5.934 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.754 -6.893 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.758 -4.480 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.673 -5.740 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.381 -4.030 4.241 1.00 0.00 H new ATOM 721 N THR A 44 -13.672 -4.162 -0.634 1.00 0.00 N ATOM 722 CA THR A 44 -12.651 -4.349 -1.635 1.00 0.00 C ATOM 723 C THR A 44 -11.280 -4.113 -1.016 1.00 0.00 C ATOM 724 O THR A 44 -10.983 -3.015 -0.540 1.00 0.00 O ATOM 725 CB THR A 44 -12.868 -3.384 -2.814 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.270 -3.279 -3.101 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.146 -3.876 -4.054 1.00 0.00 C ATOM 0 H THR A 44 -13.588 -3.293 -0.107 1.00 0.00 H new ATOM 0 HA THR A 44 -12.709 -5.371 -2.010 1.00 0.00 H new ATOM 0 HB THR A 44 -12.468 -2.409 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.405 -2.663 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.314 -3.178 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.078 -3.945 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.527 -4.859 -4.331 1.00 0.00 H new ATOM 735 N GLN A 45 -10.464 -5.151 -0.988 1.00 0.00 N ATOM 736 CA GLN A 45 -9.135 -5.044 -0.418 1.00 0.00 C ATOM 737 C GLN A 45 -8.101 -4.857 -1.519 1.00 0.00 C ATOM 738 O GLN A 45 -7.878 -5.738 -2.348 1.00 0.00 O ATOM 739 CB GLN A 45 -8.804 -6.266 0.450 1.00 0.00 C ATOM 740 CG GLN A 45 -8.943 -7.601 -0.262 1.00 0.00 C ATOM 741 CD GLN A 45 -8.577 -8.773 0.627 1.00 0.00 C ATOM 742 OE1 GLN A 45 -8.751 -8.720 1.845 1.00 0.00 O ATOM 743 NE2 GLN A 45 -8.065 -9.834 0.028 1.00 0.00 N ATOM 0 H GLN A 45 -10.698 -6.075 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.110 -4.167 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.782 -6.169 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.458 -6.264 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.969 -7.719 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.305 -7.606 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.938 -9.836 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.797 -10.650 0.578 1.00 0.00 H new ATOM 752 N GLU A 46 -7.490 -3.689 -1.531 1.00 0.00 N ATOM 753 CA GLU A 46 -6.480 -3.362 -2.516 1.00 0.00 C ATOM 754 C GLU A 46 -5.092 -3.487 -1.900 1.00 0.00 C ATOM 755 O GLU A 46 -4.707 -2.691 -1.035 1.00 0.00 O ATOM 756 CB GLU A 46 -6.686 -1.941 -3.051 1.00 0.00 C ATOM 757 CG GLU A 46 -8.075 -1.688 -3.628 1.00 0.00 C ATOM 758 CD GLU A 46 -8.227 -0.294 -4.208 1.00 0.00 C ATOM 759 OE1 GLU A 46 -7.237 0.473 -4.204 1.00 0.00 O ATOM 760 OE2 GLU A 46 -9.334 0.043 -4.680 1.00 0.00 O ATOM 0 H GLU A 46 -7.679 -2.943 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.569 -4.062 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.505 -1.231 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.942 -1.744 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.280 -2.424 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.820 -1.834 -2.846 1.00 0.00 H new ATOM 767 N LEU A 47 -4.364 -4.506 -2.321 1.00 0.00 N ATOM 768 CA LEU A 47 -2.997 -4.700 -1.870 1.00 0.00 C ATOM 769 C LEU A 47 -2.047 -4.078 -2.880 1.00 0.00 C ATOM 770 O LEU A 47 -1.721 -4.680 -3.903 1.00 0.00 O ATOM 771 CB LEU A 47 -2.668 -6.192 -1.681 1.00 0.00 C ATOM 772 CG LEU A 47 -3.383 -6.899 -0.521 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.849 -7.154 -0.847 1.00 0.00 C ATOM 774 CD2 LEU A 47 -2.678 -8.203 -0.183 1.00 0.00 C ATOM 0 H LEU A 47 -4.697 -5.213 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.881 -4.215 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.911 -6.717 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.593 -6.290 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.345 -6.242 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.327 -7.656 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.350 -6.205 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.920 -7.784 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.196 -8.694 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.684 -8.856 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.648 -7.995 0.108 1.00 0.00 H new ATOM 786 N ASN A 48 -1.633 -2.852 -2.601 1.00 0.00 N ATOM 787 CA ASN A 48 -0.795 -2.103 -3.523 1.00 0.00 C ATOM 788 C ASN A 48 0.442 -1.593 -2.791 1.00 0.00 C ATOM 789 O ASN A 48 1.136 -0.687 -3.251 1.00 0.00 O ATOM 790 CB ASN A 48 -1.593 -0.929 -4.104 1.00 0.00 C ATOM 791 CG ASN A 48 -1.162 -0.546 -5.509 1.00 0.00 C ATOM 792 OD1 ASN A 48 -0.016 -0.759 -5.909 1.00 0.00 O ATOM 793 ND2 ASN A 48 -2.085 0.025 -6.267 1.00 0.00 N ATOM 0 H ASN A 48 -1.864 -2.354 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.478 -2.752 -4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.652 -1.188 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.483 -0.065 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.859 0.307 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.022 0.183 -5.897 1.00 0.00 H new ATOM 800 N ASN A 49 0.717 -2.198 -1.645 1.00 0.00 N ATOM 801 CA ASN A 49 1.836 -1.793 -0.811 1.00 0.00 C ATOM 802 C ASN A 49 2.373 -2.988 -0.039 1.00 0.00 C ATOM 803 O ASN A 49 1.674 -3.987 0.132 1.00 0.00 O ATOM 804 CB ASN A 49 1.409 -0.688 0.166 1.00 0.00 C ATOM 805 CG ASN A 49 0.371 -1.151 1.175 1.00 0.00 C ATOM 806 OD1 ASN A 49 -0.834 -1.102 0.913 1.00 0.00 O ATOM 807 ND2 ASN A 49 0.824 -1.596 2.340 1.00 0.00 N ATOM 0 H ASN A 49 0.175 -2.977 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 49 2.623 -1.402 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.287 -0.323 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.007 0.153 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.169 -1.912 3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.828 -1.622 2.521 1.00 0.00 H new ATOM 814 N GLN A 50 3.612 -2.885 0.414 1.00 0.00 N ATOM 815 CA GLN A 50 4.221 -3.933 1.214 1.00 0.00 C ATOM 816 C GLN A 50 3.790 -3.822 2.668 1.00 0.00 C ATOM 817 O GLN A 50 3.524 -2.726 3.170 1.00 0.00 O ATOM 818 CB GLN A 50 5.747 -3.865 1.119 1.00 0.00 C ATOM 819 CG GLN A 50 6.363 -4.921 0.211 1.00 0.00 C ATOM 820 CD GLN A 50 6.245 -6.329 0.775 1.00 0.00 C ATOM 821 OE1 GLN A 50 5.293 -6.659 1.486 1.00 0.00 O ATOM 822 NE2 GLN A 50 7.221 -7.168 0.468 1.00 0.00 N ATOM 0 H GLN A 50 4.217 -2.082 0.240 1.00 0.00 H new ATOM 0 HA GLN A 50 3.884 -4.893 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.034 -2.878 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.167 -3.972 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.876 -4.884 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.415 -4.686 0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.992 -6.859 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.202 -8.124 0.823 1.00 0.00 H new ATOM 831 N LYS A 51 3.723 -4.962 3.334 1.00 0.00 N ATOM 832 CA LYS A 51 3.365 -5.016 4.741 1.00 0.00 C ATOM 833 C LYS A 51 4.516 -5.628 5.527 1.00 0.00 C ATOM 834 O LYS A 51 5.130 -6.587 5.056 1.00 0.00 O ATOM 835 CB LYS A 51 2.099 -5.862 4.947 1.00 0.00 C ATOM 836 CG LYS A 51 2.326 -7.351 4.717 1.00 0.00 C ATOM 837 CD LYS A 51 1.133 -8.189 5.137 1.00 0.00 C ATOM 838 CE LYS A 51 1.530 -9.646 5.336 1.00 0.00 C ATOM 839 NZ LYS A 51 2.045 -10.272 4.088 1.00 0.00 N ATOM 0 H LYS A 51 3.914 -5.873 2.917 1.00 0.00 H new ATOM 0 HA LYS A 51 3.167 -4.003 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.730 -5.710 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.321 -5.511 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.536 -7.525 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.206 -7.672 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.714 -7.793 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.352 -8.122 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.293 -9.709 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.667 -10.209 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.269 -11.271 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.322 -10.208 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.905 -9.775 3.779 1.00 0.00 H new ATOM 853 N ASP A 52 4.813 -5.065 6.700 1.00 0.00 N ATOM 854 CA ASP A 52 5.823 -5.624 7.606 1.00 0.00 C ATOM 855 C ASP A 52 7.146 -5.864 6.874 1.00 0.00 C ATOM 856 O ASP A 52 7.384 -6.947 6.344 1.00 0.00 O ATOM 857 CB ASP A 52 5.291 -6.925 8.224 1.00 0.00 C ATOM 858 CG ASP A 52 6.167 -7.472 9.331 1.00 0.00 C ATOM 859 OD1 ASP A 52 6.231 -6.845 10.412 1.00 0.00 O ATOM 860 OD2 ASP A 52 6.767 -8.549 9.139 1.00 0.00 O ATOM 0 H ASP A 52 4.366 -4.217 7.048 1.00 0.00 H new ATOM 0 HA ASP A 52 6.019 -4.907 8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.290 -6.748 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.197 -7.677 7.441 1.00 0.00 H new ATOM 865 N ASP A 53 7.990 -4.837 6.841 1.00 0.00 N ATOM 866 CA ASP A 53 9.205 -4.840 6.015 1.00 0.00 C ATOM 867 C ASP A 53 10.069 -6.080 6.262 1.00 0.00 C ATOM 868 O ASP A 53 10.570 -6.290 7.367 1.00 0.00 O ATOM 869 CB ASP A 53 10.021 -3.575 6.275 1.00 0.00 C ATOM 870 CG ASP A 53 11.168 -3.420 5.298 1.00 0.00 C ATOM 871 OD1 ASP A 53 10.939 -2.890 4.187 1.00 0.00 O ATOM 872 OD2 ASP A 53 12.298 -3.813 5.635 1.00 0.00 O ATOM 0 H ASP A 53 7.857 -3.982 7.381 1.00 0.00 H new ATOM 0 HA ASP A 53 8.888 -4.864 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.369 -2.704 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.413 -3.601 7.292 1.00 0.00 H new ATOM 877 N PRO A 54 10.239 -6.925 5.230 1.00 0.00 N ATOM 878 CA PRO A 54 10.992 -8.164 5.329 1.00 0.00 C ATOM 879 C PRO A 54 12.453 -8.032 4.886 1.00 0.00 C ATOM 880 O PRO A 54 12.772 -8.216 3.710 1.00 0.00 O ATOM 881 CB PRO A 54 10.225 -9.083 4.377 1.00 0.00 C ATOM 882 CG PRO A 54 9.617 -8.176 3.346 1.00 0.00 C ATOM 883 CD PRO A 54 9.684 -6.760 3.881 1.00 0.00 C ATOM 0 HA PRO A 54 11.062 -8.519 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.890 -9.812 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.456 -9.644 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.157 -8.254 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.584 -8.461 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.319 -6.127 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.699 -6.295 3.907 1.00 0.00 H new ATOM 891 N ILE A 55 13.325 -7.682 5.828 1.00 0.00 N ATOM 892 CA ILE A 55 14.770 -7.632 5.579 1.00 0.00 C ATOM 893 C ILE A 55 15.498 -7.188 6.853 1.00 0.00 C ATOM 894 O ILE A 55 16.615 -6.671 6.819 1.00 0.00 O ATOM 895 CB ILE A 55 15.110 -6.689 4.396 1.00 0.00 C ATOM 896 CG1 ILE A 55 16.547 -6.910 3.926 1.00 0.00 C ATOM 897 CG2 ILE A 55 14.893 -5.232 4.772 1.00 0.00 C ATOM 898 CD1 ILE A 55 16.838 -8.334 3.510 1.00 0.00 C ATOM 0 H ILE A 55 13.057 -7.426 6.778 1.00 0.00 H new ATOM 0 HA ILE A 55 15.106 -8.632 5.304 1.00 0.00 H new ATOM 0 HB ILE A 55 14.434 -6.929 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.751 -6.246 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.230 -6.628 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.140 -4.596 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.850 -5.079 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.533 -4.975 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.877 -8.414 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.667 -9.002 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.181 -8.614 2.687 1.00 0.00 H new ATOM 910 N ASN A 56 14.866 -7.457 7.986 1.00 0.00 N ATOM 911 CA ASN A 56 15.376 -7.021 9.281 1.00 0.00 C ATOM 912 C ASN A 56 14.718 -7.831 10.395 1.00 0.00 C ATOM 913 O ASN A 56 13.539 -7.666 10.697 1.00 0.00 O ATOM 914 CB ASN A 56 15.166 -5.503 9.482 1.00 0.00 C ATOM 915 CG ASN A 56 13.707 -5.062 9.473 1.00 0.00 C ATOM 916 OD1 ASN A 56 13.076 -4.929 10.522 1.00 0.00 O ATOM 917 ND2 ASN A 56 13.170 -4.813 8.289 1.00 0.00 N ATOM 0 H ASN A 56 13.991 -7.980 8.036 1.00 0.00 H new ATOM 0 HA ASN A 56 16.451 -7.200 9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.616 -5.209 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.699 -4.968 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.202 -4.499 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.725 -4.935 7.442 1.00 0.00 H new ATOM 924 N TYR A 57 15.478 -8.755 10.959 1.00 0.00 N ATOM 925 CA TYR A 57 14.969 -9.641 11.998 1.00 0.00 C ATOM 926 C TYR A 57 16.051 -9.898 13.042 1.00 0.00 C ATOM 927 O TYR A 57 17.235 -9.673 12.780 1.00 0.00 O ATOM 928 CB TYR A 57 14.534 -10.985 11.398 1.00 0.00 C ATOM 929 CG TYR A 57 13.507 -10.898 10.286 1.00 0.00 C ATOM 930 CD1 TYR A 57 13.900 -10.726 8.963 1.00 0.00 C ATOM 931 CD2 TYR A 57 12.150 -11.015 10.555 1.00 0.00 C ATOM 932 CE1 TYR A 57 12.971 -10.667 7.943 1.00 0.00 C ATOM 933 CE2 TYR A 57 11.215 -10.965 9.538 1.00 0.00 C ATOM 934 CZ TYR A 57 11.631 -10.789 8.235 1.00 0.00 C ATOM 935 OH TYR A 57 10.703 -10.747 7.220 1.00 0.00 O ATOM 0 H TYR A 57 16.456 -8.913 10.714 1.00 0.00 H new ATOM 0 HA TYR A 57 14.110 -9.158 12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 57 15.417 -11.496 11.015 1.00 0.00 H new ATOM 0 HB3 TYR A 57 14.128 -11.606 12.197 1.00 0.00 H new ATOM 0 HD1 TYR A 57 14.951 -10.637 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.820 -11.147 11.575 1.00 0.00 H new ATOM 0 HE1 TYR A 57 13.294 -10.526 6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.163 -11.063 9.763 1.00 0.00 H new ATOM 0 HH TYR A 57 9.803 -10.849 7.595 1.00 0.00 H new ATOM 945 N THR A 58 15.644 -10.362 14.218 1.00 0.00 N ATOM 946 CA THR A 58 16.589 -10.808 15.233 1.00 0.00 C ATOM 947 C THR A 58 17.416 -11.962 14.684 1.00 0.00 C ATOM 948 O THR A 58 16.895 -12.784 13.932 1.00 0.00 O ATOM 949 CB THR A 58 15.852 -11.264 16.509 1.00 0.00 C ATOM 950 OG1 THR A 58 14.879 -10.285 16.885 1.00 0.00 O ATOM 951 CG2 THR A 58 16.825 -11.473 17.661 1.00 0.00 C ATOM 0 H THR A 58 14.664 -10.439 14.492 1.00 0.00 H new ATOM 0 HA THR A 58 17.241 -9.973 15.490 1.00 0.00 H new ATOM 0 HB THR A 58 15.360 -12.212 16.293 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.413 -10.581 17.695 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.277 -11.794 18.547 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.553 -12.237 17.388 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.343 -10.538 17.874 1.00 0.00 H new ATOM 959 N GLU A 59 18.700 -12.025 15.030 1.00 0.00 N ATOM 960 CA GLU A 59 19.526 -13.129 14.567 1.00 0.00 C ATOM 961 C GLU A 59 18.937 -14.439 15.076 1.00 0.00 C ATOM 962 O GLU A 59 18.904 -15.432 14.360 1.00 0.00 O ATOM 963 CB GLU A 59 21.002 -12.953 14.984 1.00 0.00 C ATOM 964 CG GLU A 59 21.298 -13.113 16.473 1.00 0.00 C ATOM 965 CD GLU A 59 21.412 -14.567 16.906 1.00 0.00 C ATOM 966 OE1 GLU A 59 21.981 -15.377 16.150 1.00 0.00 O ATOM 967 OE2 GLU A 59 20.908 -14.905 17.996 1.00 0.00 O ATOM 0 H GLU A 59 19.179 -11.341 15.615 1.00 0.00 H new ATOM 0 HA GLU A 59 19.524 -13.145 13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.603 -13.677 14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.332 -11.962 14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.228 -12.596 16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.508 -12.630 17.048 1.00 0.00 H new ATOM 974 N SER A 60 18.411 -14.401 16.300 1.00 0.00 N ATOM 975 CA SER A 60 17.740 -15.550 16.891 1.00 0.00 C ATOM 976 C SER A 60 16.444 -15.844 16.144 1.00 0.00 C ATOM 977 O SER A 60 16.005 -16.992 16.062 1.00 0.00 O ATOM 978 CB SER A 60 17.438 -15.279 18.364 1.00 0.00 C ATOM 979 OG SER A 60 18.569 -14.742 19.027 1.00 0.00 O ATOM 0 H SER A 60 18.439 -13.578 16.903 1.00 0.00 H new ATOM 0 HA SER A 60 18.397 -16.416 16.815 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.602 -14.585 18.445 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.132 -16.205 18.852 1.00 0.00 H new ATOM 0 HG SER A 60 19.386 -15.086 18.610 1.00 0.00 H new ATOM 985 N GLU A 61 15.844 -14.801 15.580 1.00 0.00 N ATOM 986 CA GLU A 61 14.594 -14.955 14.853 1.00 0.00 C ATOM 987 C GLU A 61 14.866 -15.549 13.472 1.00 0.00 C ATOM 988 O GLU A 61 14.080 -16.347 12.958 1.00 0.00 O ATOM 989 CB GLU A 61 13.888 -13.600 14.751 1.00 0.00 C ATOM 990 CG GLU A 61 12.505 -13.659 14.130 1.00 0.00 C ATOM 991 CD GLU A 61 11.731 -12.376 14.347 1.00 0.00 C ATOM 992 OE1 GLU A 61 12.106 -11.341 13.760 1.00 0.00 O ATOM 993 OE2 GLU A 61 10.747 -12.394 15.114 1.00 0.00 O ATOM 0 H GLU A 61 16.202 -13.847 15.613 1.00 0.00 H new ATOM 0 HA GLU A 61 13.937 -15.640 15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.807 -13.170 15.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.509 -12.924 14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.595 -13.851 13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.950 -14.494 14.558 1.00 0.00 H new ATOM 1000 N LEU A 62 16.003 -15.178 12.897 1.00 0.00 N ATOM 1001 CA LEU A 62 16.429 -15.708 11.605 1.00 0.00 C ATOM 1002 C LEU A 62 16.990 -17.117 11.748 1.00 0.00 C ATOM 1003 O LEU A 62 17.052 -17.869 10.772 1.00 0.00 O ATOM 1004 CB LEU A 62 17.462 -14.781 10.969 1.00 0.00 C ATOM 1005 CG LEU A 62 16.898 -13.440 10.506 1.00 0.00 C ATOM 1006 CD1 LEU A 62 18.009 -12.490 10.099 1.00 0.00 C ATOM 1007 CD2 LEU A 62 15.933 -13.647 9.351 1.00 0.00 C ATOM 0 H LEU A 62 16.652 -14.507 13.308 1.00 0.00 H new ATOM 0 HA LEU A 62 15.557 -15.760 10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.261 -14.598 11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.912 -15.288 10.115 1.00 0.00 H new ATOM 0 HG LEU A 62 16.360 -12.992 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.577 -11.543 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.668 -12.315 10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.581 -12.928 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.538 -12.683 9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.456 -14.120 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.112 -14.287 9.673 1.00 0.00 H new ATOM 1019 N LYS A 63 17.411 -17.457 12.965 1.00 0.00 N ATOM 1020 CA LYS A 63 17.826 -18.820 13.285 1.00 0.00 C ATOM 1021 C LYS A 63 16.655 -19.775 13.101 1.00 0.00 C ATOM 1022 O LYS A 63 16.811 -20.882 12.584 1.00 0.00 O ATOM 1023 CB LYS A 63 18.330 -18.909 14.730 1.00 0.00 C ATOM 1024 CG LYS A 63 19.659 -18.215 14.976 1.00 0.00 C ATOM 1025 CD LYS A 63 20.826 -19.002 14.401 1.00 0.00 C ATOM 1026 CE LYS A 63 22.158 -18.334 14.711 1.00 0.00 C ATOM 1027 NZ LYS A 63 22.304 -18.018 16.157 1.00 0.00 N ATOM 0 H LYS A 63 17.473 -16.805 13.747 1.00 0.00 H new ATOM 0 HA LYS A 63 18.637 -19.097 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.580 -18.475 15.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.427 -19.960 15.004 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.637 -17.221 14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.805 -18.080 16.048 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.821 -20.012 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.707 -19.094 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.972 -18.989 14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.247 -17.416 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.312 -18.022 16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.901 -17.079 16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.801 -18.732 16.721 1.00 0.00 H new ATOM 1041 N GLY A 64 15.476 -19.325 13.516 1.00 0.00 N ATOM 1042 CA GLY A 64 14.283 -20.135 13.400 1.00 0.00 C ATOM 1043 C GLY A 64 13.533 -19.866 12.112 1.00 0.00 C ATOM 1044 O GLY A 64 12.319 -19.657 12.122 1.00 0.00 O ATOM 0 H GLY A 64 15.327 -18.406 13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.556 -21.189 13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.628 -19.937 14.248 1.00 0.00 H new ATOM 1048 N MET A 65 14.263 -19.849 11.006 1.00 0.00 N ATOM 1049 CA MET A 65 13.670 -19.658 9.687 1.00 0.00 C ATOM 1050 C MET A 65 14.364 -20.554 8.676 1.00 0.00 C ATOM 1051 O MET A 65 15.591 -20.663 8.676 1.00 0.00 O ATOM 1052 CB MET A 65 13.776 -18.199 9.230 1.00 0.00 C ATOM 1053 CG MET A 65 12.892 -17.240 10.006 1.00 0.00 C ATOM 1054 SD MET A 65 13.001 -15.553 9.387 1.00 0.00 S ATOM 1055 CE MET A 65 11.872 -14.717 10.497 1.00 0.00 C ATOM 0 H MET A 65 15.276 -19.966 10.995 1.00 0.00 H new ATOM 0 HA MET A 65 12.614 -19.920 9.755 1.00 0.00 H new ATOM 0 HB2 MET A 65 14.813 -17.875 9.322 1.00 0.00 H new ATOM 0 HB3 MET A 65 13.516 -18.141 8.173 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.857 -17.578 9.951 1.00 0.00 H new ATOM 0 HG3 MET A 65 13.177 -17.257 11.058 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.330 -13.795 10.855 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.948 -14.482 9.968 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.650 -15.364 11.345 1.00 0.00 H new ATOM 1065 N ASN A 66 13.580 -21.192 7.819 1.00 0.00 N ATOM 1066 CA ASN A 66 14.128 -22.074 6.797 1.00 0.00 C ATOM 1067 C ASN A 66 14.843 -21.268 5.714 1.00 0.00 C ATOM 1068 O ASN A 66 14.782 -20.034 5.694 1.00 0.00 O ATOM 1069 CB ASN A 66 13.035 -22.950 6.168 1.00 0.00 C ATOM 1070 CG ASN A 66 11.950 -22.146 5.479 1.00 0.00 C ATOM 1071 OD1 ASN A 66 12.106 -21.727 4.334 1.00 0.00 O ATOM 1072 ND2 ASN A 66 10.830 -21.946 6.157 1.00 0.00 N ATOM 0 H ASN A 66 12.563 -21.116 7.810 1.00 0.00 H new ATOM 0 HA ASN A 66 14.851 -22.730 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.491 -23.627 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.583 -23.569 6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.061 -21.429 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.736 -22.309 7.106 1.00 0.00 H new ATOM 1079 N LYS A 67 15.501 -21.973 4.806 1.00 0.00 N ATOM 1080 CA LYS A 67 16.313 -21.343 3.773 1.00 0.00 C ATOM 1081 C LYS A 67 15.447 -20.526 2.819 1.00 0.00 C ATOM 1082 O LYS A 67 15.815 -19.412 2.439 1.00 0.00 O ATOM 1083 CB LYS A 67 17.107 -22.395 2.984 1.00 0.00 C ATOM 1084 CG LYS A 67 18.264 -23.034 3.748 1.00 0.00 C ATOM 1085 CD LYS A 67 17.784 -23.904 4.900 1.00 0.00 C ATOM 1086 CE LYS A 67 18.935 -24.635 5.570 1.00 0.00 C ATOM 1087 NZ LYS A 67 19.547 -25.648 4.674 1.00 0.00 N ATOM 0 H LYS A 67 15.488 -22.992 4.763 1.00 0.00 H new ATOM 0 HA LYS A 67 17.014 -20.672 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.423 -23.182 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.501 -21.929 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 67 18.859 -23.638 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.918 -22.252 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.270 -23.284 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.058 -24.629 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.694 -23.914 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.576 -25.122 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.171 -26.269 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.798 -26.216 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.102 -25.169 3.936 1.00 0.00 H new ATOM 1101 N ALA A 68 14.291 -21.074 2.460 1.00 0.00 N ATOM 1102 CA ALA A 68 13.396 -20.435 1.501 1.00 0.00 C ATOM 1103 C ALA A 68 12.911 -19.079 2.003 1.00 0.00 C ATOM 1104 O ALA A 68 12.740 -18.148 1.216 1.00 0.00 O ATOM 1105 CB ALA A 68 12.214 -21.340 1.192 1.00 0.00 C ATOM 0 H ALA A 68 13.950 -21.965 2.821 1.00 0.00 H new ATOM 0 HA ALA A 68 13.960 -20.266 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.557 -20.848 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.575 -22.278 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.662 -21.544 2.110 1.00 0.00 H new ATOM 1111 N GLU A 69 12.687 -18.963 3.312 1.00 0.00 N ATOM 1112 CA GLU A 69 12.278 -17.688 3.897 1.00 0.00 C ATOM 1113 C GLU A 69 13.338 -16.629 3.625 1.00 0.00 C ATOM 1114 O GLU A 69 13.039 -15.565 3.092 1.00 0.00 O ATOM 1115 CB GLU A 69 12.049 -17.802 5.407 1.00 0.00 C ATOM 1116 CG GLU A 69 11.018 -18.844 5.812 1.00 0.00 C ATOM 1117 CD GLU A 69 9.716 -18.741 5.039 1.00 0.00 C ATOM 1118 OE1 GLU A 69 9.225 -17.611 4.824 1.00 0.00 O ATOM 1119 OE2 GLU A 69 9.172 -19.798 4.652 1.00 0.00 O ATOM 0 H GLU A 69 12.781 -19.728 3.980 1.00 0.00 H new ATOM 0 HA GLU A 69 11.335 -17.401 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.997 -18.041 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.734 -16.831 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.441 -19.838 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.808 -18.741 6.877 1.00 0.00 H new ATOM 1126 N HIS A 70 14.581 -16.949 3.982 1.00 0.00 N ATOM 1127 CA HIS A 70 15.713 -16.053 3.762 1.00 0.00 C ATOM 1128 C HIS A 70 15.789 -15.591 2.313 1.00 0.00 C ATOM 1129 O HIS A 70 16.055 -14.422 2.044 1.00 0.00 O ATOM 1130 CB HIS A 70 17.027 -16.744 4.130 1.00 0.00 C ATOM 1131 CG HIS A 70 17.251 -16.906 5.603 1.00 0.00 C ATOM 1132 ND1 HIS A 70 18.230 -16.220 6.284 1.00 0.00 N ATOM 1133 CD2 HIS A 70 16.642 -17.699 6.521 1.00 0.00 C ATOM 1134 CE1 HIS A 70 18.222 -16.583 7.551 1.00 0.00 C ATOM 1135 NE2 HIS A 70 17.266 -17.476 7.724 1.00 0.00 N ATOM 0 H HIS A 70 14.830 -17.831 4.429 1.00 0.00 H new ATOM 0 HA HIS A 70 15.560 -15.184 4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 70 17.050 -17.728 3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 70 17.854 -16.172 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.821 -18.377 6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 70 18.886 -16.212 8.318 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.029 -17.927 8.608 1.00 0.00 H new ATOM 1144 N GLU A 71 15.554 -16.511 1.388 1.00 0.00 N ATOM 1145 CA GLU A 71 15.645 -16.196 -0.028 1.00 0.00 C ATOM 1146 C GLU A 71 14.555 -15.210 -0.432 1.00 0.00 C ATOM 1147 O GLU A 71 14.833 -14.224 -1.112 1.00 0.00 O ATOM 1148 CB GLU A 71 15.583 -17.470 -0.874 1.00 0.00 C ATOM 1149 CG GLU A 71 16.678 -18.465 -0.518 1.00 0.00 C ATOM 1150 CD GLU A 71 16.892 -19.532 -1.572 1.00 0.00 C ATOM 1151 OE1 GLU A 71 15.938 -19.848 -2.312 1.00 0.00 O ATOM 1152 OE2 GLU A 71 18.023 -20.063 -1.654 1.00 0.00 O ATOM 0 H GLU A 71 15.300 -17.477 1.593 1.00 0.00 H new ATOM 0 HA GLU A 71 16.609 -15.722 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.610 -17.943 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.667 -17.206 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.612 -17.925 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.428 -18.945 0.428 1.00 0.00 H new ATOM 1159 N SER A 72 13.328 -15.459 0.013 1.00 0.00 N ATOM 1160 CA SER A 72 12.223 -14.540 -0.240 1.00 0.00 C ATOM 1161 C SER A 72 12.528 -13.160 0.343 1.00 0.00 C ATOM 1162 O SER A 72 12.365 -12.143 -0.332 1.00 0.00 O ATOM 1163 CB SER A 72 10.927 -15.083 0.366 1.00 0.00 C ATOM 1164 OG SER A 72 10.621 -16.368 -0.148 1.00 0.00 O ATOM 0 H SER A 72 13.073 -16.288 0.550 1.00 0.00 H new ATOM 0 HA SER A 72 12.098 -14.447 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.023 -15.136 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.107 -14.398 0.152 1.00 0.00 H new ATOM 0 HG SER A 72 11.245 -17.026 0.224 1.00 0.00 H new ATOM 1170 N ILE A 73 12.995 -13.147 1.591 1.00 0.00 N ATOM 1171 CA ILE A 73 13.315 -11.910 2.302 1.00 0.00 C ATOM 1172 C ILE A 73 14.226 -11.000 1.475 1.00 0.00 C ATOM 1173 O ILE A 73 13.842 -9.891 1.089 1.00 0.00 O ATOM 1174 CB ILE A 73 14.004 -12.214 3.658 1.00 0.00 C ATOM 1175 CG1 ILE A 73 13.059 -12.977 4.588 1.00 0.00 C ATOM 1176 CG2 ILE A 73 14.476 -10.932 4.327 1.00 0.00 C ATOM 1177 CD1 ILE A 73 13.721 -13.463 5.862 1.00 0.00 C ATOM 0 H ILE A 73 13.162 -13.992 2.137 1.00 0.00 H new ATOM 0 HA ILE A 73 12.370 -11.395 2.477 1.00 0.00 H new ATOM 0 HB ILE A 73 14.874 -12.839 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.220 -12.332 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.649 -13.833 4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 73 14.956 -11.172 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 15.190 -10.424 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 73 13.622 -10.280 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.990 -13.995 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.543 -14.134 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.107 -12.610 6.420 1.00 0.00 H new ATOM 1189 N ILE A 74 15.421 -11.484 1.173 1.00 0.00 N ATOM 1190 CA ILE A 74 16.424 -10.644 0.541 1.00 0.00 C ATOM 1191 C ILE A 74 16.099 -10.409 -0.933 1.00 0.00 C ATOM 1192 O ILE A 74 16.508 -9.399 -1.513 1.00 0.00 O ATOM 1193 CB ILE A 74 17.842 -11.233 0.676 1.00 0.00 C ATOM 1194 CG1 ILE A 74 17.995 -11.978 2.007 1.00 0.00 C ATOM 1195 CG2 ILE A 74 18.854 -10.105 0.601 1.00 0.00 C ATOM 1196 CD1 ILE A 74 19.342 -12.647 2.182 1.00 0.00 C ATOM 0 H ILE A 74 15.717 -12.443 1.353 1.00 0.00 H new ATOM 0 HA ILE A 74 16.404 -9.688 1.065 1.00 0.00 H new ATOM 0 HB ILE A 74 18.012 -11.942 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.840 -11.275 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.212 -12.733 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 74 19.861 -10.512 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.758 -9.593 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.671 -9.398 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.374 -13.153 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.493 -13.375 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 74 20.130 -11.895 2.140 1.00 0.00 H new ATOM 1208 N SER A 75 15.346 -11.324 -1.532 1.00 0.00 N ATOM 1209 CA SER A 75 14.915 -11.160 -2.912 1.00 0.00 C ATOM 1210 C SER A 75 13.925 -10.004 -3.013 1.00 0.00 C ATOM 1211 O SER A 75 13.850 -9.329 -4.040 1.00 0.00 O ATOM 1212 CB SER A 75 14.287 -12.454 -3.443 1.00 0.00 C ATOM 1213 OG SER A 75 14.018 -12.374 -4.837 1.00 0.00 O ATOM 0 H SER A 75 15.023 -12.182 -1.085 1.00 0.00 H new ATOM 0 HA SER A 75 15.787 -10.933 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.958 -13.291 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.361 -12.657 -2.905 1.00 0.00 H new ATOM 0 HG SER A 75 13.620 -13.216 -5.142 1.00 0.00 H new ATOM 1219 N ASN A 76 13.175 -9.770 -1.936 1.00 0.00 N ATOM 1220 CA ASN A 76 12.246 -8.646 -1.878 1.00 0.00 C ATOM 1221 C ASN A 76 12.998 -7.355 -1.581 1.00 0.00 C ATOM 1222 O ASN A 76 12.535 -6.265 -1.909 1.00 0.00 O ATOM 1223 CB ASN A 76 11.159 -8.873 -0.823 1.00 0.00 C ATOM 1224 CG ASN A 76 10.073 -9.839 -1.277 1.00 0.00 C ATOM 1225 OD1 ASN A 76 8.916 -9.715 -0.875 1.00 0.00 O ATOM 1226 ND2 ASN A 76 10.434 -10.804 -2.110 1.00 0.00 N ATOM 0 H ASN A 76 13.194 -10.345 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 76 11.761 -8.564 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.620 -9.257 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.702 -7.916 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.743 -11.477 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.403 -10.874 -2.421 1.00 0.00 H new ATOM 1233 N LEU A 77 14.155 -7.491 -0.936 1.00 0.00 N ATOM 1234 CA LEU A 77 15.059 -6.357 -0.755 1.00 0.00 C ATOM 1235 C LEU A 77 15.632 -5.929 -2.101 1.00 0.00 C ATOM 1236 O LEU A 77 15.803 -4.738 -2.370 1.00 0.00 O ATOM 1237 CB LEU A 77 16.208 -6.727 0.193 1.00 0.00 C ATOM 1238 CG LEU A 77 17.298 -5.660 0.340 1.00 0.00 C ATOM 1239 CD1 LEU A 77 16.777 -4.454 1.108 1.00 0.00 C ATOM 1240 CD2 LEU A 77 18.530 -6.245 1.018 1.00 0.00 C ATOM 0 H LEU A 77 14.487 -8.367 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 77 14.493 -5.534 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.792 -6.938 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.669 -7.649 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 77 17.584 -5.324 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.569 -3.711 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.932 -4.020 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.456 -4.766 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.294 -5.473 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.260 -6.614 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 77 18.919 -7.068 0.418 1.00 0.00 H new ATOM 1252 N GLY A 78 15.919 -6.908 -2.947 1.00 0.00 N ATOM 1253 CA GLY A 78 16.456 -6.622 -4.258 1.00 0.00 C ATOM 1254 C GLY A 78 17.788 -7.299 -4.504 1.00 0.00 C ATOM 1255 O GLY A 78 18.360 -7.178 -5.586 1.00 0.00 O ATOM 0 H GLY A 78 15.788 -7.899 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.743 -6.945 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.574 -5.544 -4.370 1.00 0.00 H new ATOM 1259 N ARG A 79 18.285 -8.015 -3.508 1.00 0.00 N ATOM 1260 CA ARG A 79 19.553 -8.716 -3.641 1.00 0.00 C ATOM 1261 C ARG A 79 19.335 -10.212 -3.761 1.00 0.00 C ATOM 1262 O ARG A 79 18.558 -10.798 -3.010 1.00 0.00 O ATOM 1263 CB ARG A 79 20.476 -8.417 -2.460 1.00 0.00 C ATOM 1264 CG ARG A 79 21.281 -7.144 -2.634 1.00 0.00 C ATOM 1265 CD ARG A 79 22.775 -7.430 -2.681 1.00 0.00 C ATOM 1266 NE ARG A 79 23.129 -8.429 -3.692 1.00 0.00 N ATOM 1267 CZ ARG A 79 23.671 -8.137 -4.877 1.00 0.00 C ATOM 1268 NH1 ARG A 79 23.864 -6.875 -5.237 1.00 0.00 N ATOM 1269 NH2 ARG A 79 24.023 -9.111 -5.704 1.00 0.00 N ATOM 0 H ARG A 79 17.832 -8.126 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 79 20.031 -8.357 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 79 19.878 -8.339 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.160 -9.255 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 79 20.977 -6.643 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 79 21.066 -6.461 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 79 23.311 -6.504 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 79 23.105 -7.777 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 79 22.950 -9.410 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 79 23.598 -6.118 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 79 24.279 -6.661 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 79 23.880 -10.085 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 79 24.437 -8.887 -6.609 1.00 0.00 H new ATOM 1283 N ASN A 80 20.017 -10.815 -4.717 1.00 0.00 N ATOM 1284 CA ASN A 80 19.953 -12.252 -4.920 1.00 0.00 C ATOM 1285 C ASN A 80 20.570 -12.988 -3.730 1.00 0.00 C ATOM 1286 O ASN A 80 21.756 -12.838 -3.442 1.00 0.00 O ATOM 1287 CB ASN A 80 20.669 -12.617 -6.224 1.00 0.00 C ATOM 1288 CG ASN A 80 20.800 -14.110 -6.442 1.00 0.00 C ATOM 1289 OD1 ASN A 80 21.808 -14.711 -6.080 1.00 0.00 O ATOM 1290 ND2 ASN A 80 19.781 -14.719 -7.033 1.00 0.00 N ATOM 0 H ASN A 80 20.628 -10.327 -5.372 1.00 0.00 H new ATOM 0 HA ASN A 80 18.910 -12.559 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 80 20.125 -12.181 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 80 21.663 -12.169 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 80 19.816 -15.724 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.962 -14.182 -7.318 1.00 0.00 H new ATOM 1297 N PRO A 81 19.766 -13.792 -3.016 1.00 0.00 N ATOM 1298 CA PRO A 81 20.216 -14.489 -1.809 1.00 0.00 C ATOM 1299 C PRO A 81 21.159 -15.649 -2.110 1.00 0.00 C ATOM 1300 O PRO A 81 21.711 -16.262 -1.196 1.00 0.00 O ATOM 1301 CB PRO A 81 18.918 -15.000 -1.187 1.00 0.00 C ATOM 1302 CG PRO A 81 17.980 -15.145 -2.332 1.00 0.00 C ATOM 1303 CD PRO A 81 18.350 -14.074 -3.323 1.00 0.00 C ATOM 0 HA PRO A 81 20.789 -13.831 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.071 -15.952 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.532 -14.300 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.065 -16.135 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.947 -15.031 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.223 -14.417 -4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.729 -13.186 -3.204 1.00 0.00 H new ATOM 1311 N SER A 82 21.352 -15.944 -3.389 1.00 0.00 N ATOM 1312 CA SER A 82 22.274 -16.992 -3.797 1.00 0.00 C ATOM 1313 C SER A 82 23.709 -16.465 -3.772 1.00 0.00 C ATOM 1314 O SER A 82 24.661 -17.229 -3.928 1.00 0.00 O ATOM 1315 CB SER A 82 21.915 -17.524 -5.190 1.00 0.00 C ATOM 1316 OG SER A 82 22.839 -18.509 -5.620 1.00 0.00 O ATOM 0 H SER A 82 20.882 -15.471 -4.161 1.00 0.00 H new ATOM 0 HA SER A 82 22.193 -17.820 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.911 -17.948 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.900 -16.700 -5.903 1.00 0.00 H new ATOM 0 HG SER A 82 23.660 -18.441 -5.090 1.00 0.00 H new ATOM 1322 N ASP A 83 23.854 -15.152 -3.581 1.00 0.00 N ATOM 1323 CA ASP A 83 25.173 -14.556 -3.381 1.00 0.00 C ATOM 1324 C ASP A 83 25.724 -14.980 -2.027 1.00 0.00 C ATOM 1325 O ASP A 83 26.934 -14.953 -1.795 1.00 0.00 O ATOM 1326 CB ASP A 83 25.113 -13.023 -3.453 1.00 0.00 C ATOM 1327 CG ASP A 83 24.883 -12.499 -4.858 1.00 0.00 C ATOM 1328 OD1 ASP A 83 25.619 -12.912 -5.780 1.00 0.00 O ATOM 1329 OD2 ASP A 83 23.968 -11.670 -5.052 1.00 0.00 O ATOM 0 H ASP A 83 23.080 -14.487 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 83 25.828 -14.908 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 83 24.313 -12.666 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 83 26.045 -12.611 -3.067 1.00 0.00 H new ATOM 1334 N PHE A 84 24.818 -15.377 -1.143 1.00 0.00 N ATOM 1335 CA PHE A 84 25.176 -15.827 0.193 1.00 0.00 C ATOM 1336 C PHE A 84 24.873 -17.313 0.321 1.00 0.00 C ATOM 1337 O PHE A 84 23.709 -17.716 0.364 1.00 0.00 O ATOM 1338 CB PHE A 84 24.397 -15.031 1.242 1.00 0.00 C ATOM 1339 CG PHE A 84 24.432 -13.549 1.008 1.00 0.00 C ATOM 1340 CD1 PHE A 84 25.524 -12.795 1.404 1.00 0.00 C ATOM 1341 CD2 PHE A 84 23.371 -12.911 0.383 1.00 0.00 C ATOM 1342 CE1 PHE A 84 25.561 -11.434 1.176 1.00 0.00 C ATOM 1343 CE2 PHE A 84 23.404 -11.552 0.149 1.00 0.00 C ATOM 1344 CZ PHE A 84 24.498 -10.812 0.551 1.00 0.00 C ATOM 0 H PHE A 84 23.816 -15.396 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 84 26.241 -15.663 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 84 23.360 -15.367 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 84 24.806 -15.246 2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 84 26.356 -13.277 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 84 22.509 -13.485 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 84 26.420 -10.857 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 84 22.576 -11.068 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 84 24.523 -9.746 0.377 1.00 0.00 H new ATOM 1354 N LYS A 85 25.920 -18.120 0.368 1.00 0.00 N ATOM 1355 CA LYS A 85 25.772 -19.568 0.340 1.00 0.00 C ATOM 1356 C LYS A 85 25.469 -20.119 1.727 1.00 0.00 C ATOM 1357 O LYS A 85 24.623 -21.001 1.888 1.00 0.00 O ATOM 1358 CB LYS A 85 27.048 -20.210 -0.210 1.00 0.00 C ATOM 1359 CG LYS A 85 27.431 -19.708 -1.594 1.00 0.00 C ATOM 1360 CD LYS A 85 28.717 -20.352 -2.094 1.00 0.00 C ATOM 1361 CE LYS A 85 29.913 -19.991 -1.226 1.00 0.00 C ATOM 1362 NZ LYS A 85 30.200 -18.530 -1.239 1.00 0.00 N ATOM 0 H LYS A 85 26.886 -17.797 0.426 1.00 0.00 H new ATOM 0 HA LYS A 85 24.932 -19.811 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 85 27.870 -20.015 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 85 26.914 -21.291 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 85 26.623 -19.920 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 85 27.554 -18.625 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 85 28.596 -21.435 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 85 28.905 -20.035 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 85 29.726 -20.313 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 85 30.791 -20.535 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 31.114 -18.352 -0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 30.237 -18.192 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 29.449 -18.024 -0.727 1.00 0.00 H new ATOM 1376 N ASN A 86 26.155 -19.590 2.724 1.00 0.00 N ATOM 1377 CA ASN A 86 26.021 -20.087 4.085 1.00 0.00 C ATOM 1378 C ASN A 86 24.910 -19.362 4.824 1.00 0.00 C ATOM 1379 O ASN A 86 24.617 -18.195 4.542 1.00 0.00 O ATOM 1380 CB ASN A 86 27.341 -19.930 4.847 1.00 0.00 C ATOM 1381 CG ASN A 86 28.459 -20.756 4.244 1.00 0.00 C ATOM 1382 OD1 ASN A 86 28.689 -21.900 4.639 1.00 0.00 O ATOM 1383 ND2 ASN A 86 29.163 -20.183 3.280 1.00 0.00 N ATOM 0 H ASN A 86 26.811 -18.816 2.619 1.00 0.00 H new ATOM 0 HA ASN A 86 25.766 -21.145 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 86 27.631 -18.879 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 86 27.195 -20.225 5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 86 29.928 -20.691 2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 86 28.941 -19.233 2.982 1.00 0.00 H new ATOM 1390 N ALA A 87 24.292 -20.063 5.767 1.00 0.00 N ATOM 1391 CA ALA A 87 23.256 -19.477 6.606 1.00 0.00 C ATOM 1392 C ALA A 87 23.799 -18.263 7.348 1.00 0.00 C ATOM 1393 O ALA A 87 23.104 -17.256 7.504 1.00 0.00 O ATOM 1394 CB ALA A 87 22.724 -20.507 7.592 1.00 0.00 C ATOM 0 H ALA A 87 24.492 -21.042 5.970 1.00 0.00 H new ATOM 0 HA ALA A 87 22.434 -19.154 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.951 -20.052 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.302 -21.350 7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 87 23.538 -20.857 8.227 1.00 0.00 H new ATOM 1400 N ASP A 88 25.055 -18.369 7.776 1.00 0.00 N ATOM 1401 CA ASP A 88 25.751 -17.285 8.466 1.00 0.00 C ATOM 1402 C ASP A 88 25.687 -16.003 7.649 1.00 0.00 C ATOM 1403 O ASP A 88 25.273 -14.956 8.144 1.00 0.00 O ATOM 1404 CB ASP A 88 27.220 -17.654 8.696 1.00 0.00 C ATOM 1405 CG ASP A 88 27.397 -18.966 9.431 1.00 0.00 C ATOM 1406 OD1 ASP A 88 27.334 -20.031 8.776 1.00 0.00 O ATOM 1407 OD2 ASP A 88 27.605 -18.943 10.662 1.00 0.00 O ATOM 0 H ASP A 88 25.620 -19.210 7.654 1.00 0.00 H new ATOM 0 HA ASP A 88 25.259 -17.128 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 88 27.728 -17.713 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 88 27.703 -16.859 9.264 1.00 0.00 H new ATOM 1412 N GLU A 89 26.079 -16.110 6.385 1.00 0.00 N ATOM 1413 CA GLU A 89 26.131 -14.965 5.484 1.00 0.00 C ATOM 1414 C GLU A 89 24.750 -14.349 5.303 1.00 0.00 C ATOM 1415 O GLU A 89 24.592 -13.128 5.332 1.00 0.00 O ATOM 1416 CB GLU A 89 26.677 -15.397 4.124 1.00 0.00 C ATOM 1417 CG GLU A 89 28.016 -16.104 4.208 1.00 0.00 C ATOM 1418 CD GLU A 89 28.497 -16.588 2.858 1.00 0.00 C ATOM 1419 OE1 GLU A 89 28.124 -17.709 2.457 1.00 0.00 O ATOM 1420 OE2 GLU A 89 29.252 -15.849 2.193 1.00 0.00 O ATOM 0 H GLU A 89 26.369 -16.989 5.957 1.00 0.00 H new ATOM 0 HA GLU A 89 26.790 -14.217 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 89 25.955 -16.058 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 89 26.778 -14.519 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 89 28.756 -15.426 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 89 27.934 -16.952 4.887 1.00 0.00 H new ATOM 1427 N ARG A 90 23.753 -15.205 5.127 1.00 0.00 N ATOM 1428 CA ARG A 90 22.386 -14.754 4.910 1.00 0.00 C ATOM 1429 C ARG A 90 21.846 -14.016 6.129 1.00 0.00 C ATOM 1430 O ARG A 90 21.185 -12.987 5.997 1.00 0.00 O ATOM 1431 CB ARG A 90 21.486 -15.938 4.556 1.00 0.00 C ATOM 1432 CG ARG A 90 21.807 -16.540 3.201 1.00 0.00 C ATOM 1433 CD ARG A 90 20.883 -17.693 2.857 1.00 0.00 C ATOM 1434 NE ARG A 90 21.036 -18.103 1.460 1.00 0.00 N ATOM 1435 CZ ARG A 90 20.219 -18.945 0.826 1.00 0.00 C ATOM 1436 NH1 ARG A 90 19.271 -19.591 1.493 1.00 0.00 N ATOM 1437 NH2 ARG A 90 20.377 -19.168 -0.471 1.00 0.00 N ATOM 0 H ARG A 90 23.866 -16.219 5.130 1.00 0.00 H new ATOM 0 HA ARG A 90 22.391 -14.055 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 90 21.587 -16.706 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 90 20.446 -15.613 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.726 -15.770 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 90 22.840 -16.889 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 90 21.095 -18.539 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.849 -17.400 3.040 1.00 0.00 H new ATOM 0 HE ARG A 90 21.822 -17.718 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.164 -19.445 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.649 -20.234 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.123 -18.696 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.753 -19.812 -0.958 1.00 0.00 H new ATOM 1451 N ILE A 91 22.133 -14.541 7.314 1.00 0.00 N ATOM 1452 CA ILE A 91 21.718 -13.891 8.551 1.00 0.00 C ATOM 1453 C ILE A 91 22.458 -12.568 8.723 1.00 0.00 C ATOM 1454 O ILE A 91 21.850 -11.541 9.022 1.00 0.00 O ATOM 1455 CB ILE A 91 21.967 -14.793 9.783 1.00 0.00 C ATOM 1456 CG1 ILE A 91 21.151 -16.084 9.666 1.00 0.00 C ATOM 1457 CG2 ILE A 91 21.614 -14.055 11.070 1.00 0.00 C ATOM 1458 CD1 ILE A 91 21.391 -17.064 10.795 1.00 0.00 C ATOM 0 H ILE A 91 22.649 -15.411 7.445 1.00 0.00 H new ATOM 0 HA ILE A 91 20.646 -13.705 8.481 1.00 0.00 H new ATOM 0 HB ILE A 91 23.026 -15.050 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.091 -15.831 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.390 -16.569 8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.796 -14.707 11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.231 -13.161 11.157 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.562 -13.770 11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.778 -17.952 10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.443 -17.348 10.813 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.124 -16.598 11.744 1.00 0.00 H new ATOM 1470 N ALA A 92 23.766 -12.598 8.491 1.00 0.00 N ATOM 1471 CA ALA A 92 24.607 -11.417 8.644 1.00 0.00 C ATOM 1472 C ALA A 92 24.155 -10.277 7.735 1.00 0.00 C ATOM 1473 O ALA A 92 24.178 -9.112 8.133 1.00 0.00 O ATOM 1474 CB ALA A 92 26.062 -11.764 8.367 1.00 0.00 C ATOM 0 H ALA A 92 24.269 -13.434 8.194 1.00 0.00 H new ATOM 0 HA ALA A 92 24.509 -11.077 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 92 26.678 -10.872 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 92 26.393 -12.529 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 92 26.159 -12.139 7.348 1.00 0.00 H new ATOM 1480 N TYR A 93 23.739 -10.606 6.517 1.00 0.00 N ATOM 1481 CA TYR A 93 23.319 -9.580 5.575 1.00 0.00 C ATOM 1482 C TYR A 93 21.991 -8.965 5.997 1.00 0.00 C ATOM 1483 O TYR A 93 21.799 -7.759 5.877 1.00 0.00 O ATOM 1484 CB TYR A 93 23.207 -10.123 4.151 1.00 0.00 C ATOM 1485 CG TYR A 93 23.049 -9.026 3.123 1.00 0.00 C ATOM 1486 CD1 TYR A 93 24.114 -8.191 2.810 1.00 0.00 C ATOM 1487 CD2 TYR A 93 21.838 -8.818 2.475 1.00 0.00 C ATOM 1488 CE1 TYR A 93 23.977 -7.177 1.883 1.00 0.00 C ATOM 1489 CE2 TYR A 93 21.695 -7.807 1.543 1.00 0.00 C ATOM 1490 CZ TYR A 93 22.766 -6.991 1.253 1.00 0.00 C ATOM 1491 OH TYR A 93 22.626 -5.977 0.334 1.00 0.00 O ATOM 0 H TYR A 93 23.684 -11.561 6.164 1.00 0.00 H new ATOM 0 HA TYR A 93 24.090 -8.809 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 93 24.096 -10.709 3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.354 -10.799 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 93 25.065 -8.337 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.996 -9.455 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.814 -6.534 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.748 -7.658 1.045 1.00 0.00 H new ATOM 0 HH TYR A 93 23.487 -5.811 -0.104 1.00 0.00 H new ATOM 1501 N ILE A 94 21.078 -9.788 6.498 1.00 0.00 N ATOM 1502 CA ILE A 94 19.793 -9.286 6.976 1.00 0.00 C ATOM 1503 C ILE A 94 20.004 -8.398 8.207 1.00 0.00 C ATOM 1504 O ILE A 94 19.289 -7.417 8.417 1.00 0.00 O ATOM 1505 CB ILE A 94 18.811 -10.444 7.294 1.00 0.00 C ATOM 1506 CG1 ILE A 94 18.572 -11.301 6.040 1.00 0.00 C ATOM 1507 CG2 ILE A 94 17.491 -9.898 7.821 1.00 0.00 C ATOM 1508 CD1 ILE A 94 17.673 -12.505 6.265 1.00 0.00 C ATOM 0 H ILE A 94 21.200 -10.797 6.584 1.00 0.00 H new ATOM 0 HA ILE A 94 19.344 -8.690 6.182 1.00 0.00 H new ATOM 0 HB ILE A 94 19.257 -11.071 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 94 18.132 -10.674 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 94 19.534 -11.647 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 94 16.816 -10.726 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 94 17.671 -9.328 8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 94 17.040 -9.249 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.558 -13.053 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.120 -13.157 7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.696 -12.170 6.612 1.00 0.00 H new ATOM 1520 N LEU A 95 21.019 -8.732 8.997 1.00 0.00 N ATOM 1521 CA LEU A 95 21.406 -7.914 10.144 1.00 0.00 C ATOM 1522 C LEU A 95 22.116 -6.637 9.691 1.00 0.00 C ATOM 1523 O LEU A 95 22.169 -5.651 10.427 1.00 0.00 O ATOM 1524 CB LEU A 95 22.312 -8.707 11.095 1.00 0.00 C ATOM 1525 CG LEU A 95 21.605 -9.432 12.248 1.00 0.00 C ATOM 1526 CD1 LEU A 95 20.971 -8.428 13.198 1.00 0.00 C ATOM 1527 CD2 LEU A 95 20.557 -10.402 11.725 1.00 0.00 C ATOM 0 H LEU A 95 21.591 -9.566 8.864 1.00 0.00 H new ATOM 0 HA LEU A 95 20.496 -7.635 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.862 -9.445 10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 95 23.048 -8.023 11.519 1.00 0.00 H new ATOM 0 HG LEU A 95 22.354 -10.006 12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 95 20.474 -8.959 14.010 1.00 0.00 H new ATOM 0 HD12 LEU A 95 21.743 -7.778 13.609 1.00 0.00 H new ATOM 0 HD13 LEU A 95 20.241 -7.826 12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 95 20.072 -10.901 12.564 1.00 0.00 H new ATOM 0 HD22 LEU A 95 19.811 -9.855 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 95 21.035 -11.146 11.088 1.00 0.00 H new ATOM 1539 N LYS A 96 22.653 -6.657 8.475 1.00 0.00 N ATOM 1540 CA LYS A 96 23.362 -5.506 7.928 1.00 0.00 C ATOM 1541 C LYS A 96 22.395 -4.359 7.649 1.00 0.00 C ATOM 1542 O LYS A 96 22.752 -3.187 7.784 1.00 0.00 O ATOM 1543 CB LYS A 96 24.116 -5.897 6.653 1.00 0.00 C ATOM 1544 CG LYS A 96 24.897 -4.752 6.026 1.00 0.00 C ATOM 1545 CD LYS A 96 25.710 -5.214 4.824 1.00 0.00 C ATOM 1546 CE LYS A 96 26.793 -6.207 5.222 1.00 0.00 C ATOM 1547 NZ LYS A 96 27.753 -5.626 6.198 1.00 0.00 N ATOM 0 H LYS A 96 22.610 -7.461 7.848 1.00 0.00 H new ATOM 0 HA LYS A 96 24.088 -5.168 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 96 24.804 -6.710 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 96 23.403 -6.280 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 96 24.207 -3.967 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 96 25.564 -4.316 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 96 25.047 -5.674 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 96 26.168 -4.351 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 96 26.330 -7.094 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 96 27.333 -6.530 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 28.594 -6.234 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 28.036 -4.676 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 27.301 -5.561 7.132 1.00 0.00 H new ATOM 1561 N GLN A 97 21.166 -4.692 7.271 1.00 0.00 N ATOM 1562 CA GLN A 97 20.140 -3.675 7.071 1.00 0.00 C ATOM 1563 C GLN A 97 19.770 -3.040 8.404 1.00 0.00 C ATOM 1564 O GLN A 97 19.516 -1.839 8.484 1.00 0.00 O ATOM 1565 CB GLN A 97 18.894 -4.261 6.402 1.00 0.00 C ATOM 1566 CG GLN A 97 18.995 -4.377 4.886 1.00 0.00 C ATOM 1567 CD GLN A 97 20.124 -5.280 4.433 1.00 0.00 C ATOM 1568 OE1 GLN A 97 21.244 -4.830 4.191 1.00 0.00 O ATOM 1569 NE2 GLN A 97 19.834 -6.563 4.318 1.00 0.00 N ATOM 0 H GLN A 97 20.858 -5.649 7.098 1.00 0.00 H new ATOM 0 HA GLN A 97 20.547 -2.912 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 97 18.703 -5.250 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 97 18.035 -3.638 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.053 -4.759 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 97 19.139 -3.384 4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 97 18.892 -6.894 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 97 20.552 -7.223 4.019 1.00 0.00 H new ATOM 1578 N ILE A 98 19.760 -3.852 9.454 1.00 0.00 N ATOM 1579 CA ILE A 98 19.501 -3.353 10.800 1.00 0.00 C ATOM 1580 C ILE A 98 20.653 -2.458 11.261 1.00 0.00 C ATOM 1581 O ILE A 98 20.446 -1.492 11.995 1.00 0.00 O ATOM 1582 CB ILE A 98 19.288 -4.507 11.805 1.00 0.00 C ATOM 1583 CG1 ILE A 98 18.098 -5.363 11.365 1.00 0.00 C ATOM 1584 CG2 ILE A 98 19.068 -3.965 13.214 1.00 0.00 C ATOM 1585 CD1 ILE A 98 17.740 -6.466 12.334 1.00 0.00 C ATOM 0 H ILE A 98 19.928 -4.857 9.400 1.00 0.00 H new ATOM 0 HA ILE A 98 18.582 -2.768 10.766 1.00 0.00 H new ATOM 0 HB ILE A 98 20.184 -5.128 11.821 1.00 0.00 H new ATOM 0 HG12 ILE A 98 17.230 -4.717 11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.321 -5.805 10.394 1.00 0.00 H new ATOM 0 HG21 ILE A 98 18.920 -4.795 13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.940 -3.388 13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.186 -3.324 13.224 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.888 -7.026 11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 98 18.591 -7.137 12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 98 17.483 -6.032 13.300 1.00 0.00 H new ATOM 1597 N ASP A 99 21.860 -2.778 10.807 1.00 0.00 N ATOM 1598 CA ASP A 99 23.028 -1.940 11.069 1.00 0.00 C ATOM 1599 C ASP A 99 22.832 -0.547 10.481 1.00 0.00 C ATOM 1600 O ASP A 99 23.134 0.458 11.126 1.00 0.00 O ATOM 1601 CB ASP A 99 24.297 -2.578 10.493 1.00 0.00 C ATOM 1602 CG ASP A 99 25.455 -1.598 10.414 1.00 0.00 C ATOM 1603 OD1 ASP A 99 26.021 -1.250 11.470 1.00 0.00 O ATOM 1604 OD2 ASP A 99 25.789 -1.162 9.293 1.00 0.00 O ATOM 0 H ASP A 99 22.057 -3.613 10.255 1.00 0.00 H new ATOM 0 HA ASP A 99 23.143 -1.853 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 99 24.586 -3.428 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 99 24.085 -2.966 9.497 1.00 0.00 H new ATOM 1609 N ASN A 100 22.304 -0.490 9.264 1.00 0.00 N ATOM 1610 CA ASN A 100 22.054 0.787 8.605 1.00 0.00 C ATOM 1611 C ASN A 100 20.900 1.513 9.291 1.00 0.00 C ATOM 1612 O ASN A 100 20.850 2.740 9.309 1.00 0.00 O ATOM 1613 CB ASN A 100 21.744 0.585 7.117 1.00 0.00 C ATOM 1614 CG ASN A 100 21.774 1.887 6.328 1.00 0.00 C ATOM 1615 OD1 ASN A 100 21.038 2.053 5.351 1.00 0.00 O ATOM 1616 ND2 ASN A 100 22.637 2.810 6.728 1.00 0.00 N ATOM 0 H ASN A 100 22.042 -1.309 8.715 1.00 0.00 H new ATOM 0 HA ASN A 100 22.955 1.396 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 100 22.467 -0.110 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 100 20.761 0.125 7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 100 22.709 3.694 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 100 23.229 2.637 7.540 1.00 0.00 H new ATOM 1623 N LYS A 101 19.990 0.742 9.878 1.00 0.00 N ATOM 1624 CA LYS A 101 18.869 1.307 10.622 1.00 0.00 C ATOM 1625 C LYS A 101 19.332 1.773 12.007 1.00 0.00 C ATOM 1626 O LYS A 101 18.556 2.342 12.777 1.00 0.00 O ATOM 1627 CB LYS A 101 17.736 0.278 10.757 1.00 0.00 C ATOM 1628 CG LYS A 101 16.456 0.859 11.335 1.00 0.00 C ATOM 1629 CD LYS A 101 15.413 -0.210 11.606 1.00 0.00 C ATOM 1630 CE LYS A 101 14.172 0.384 12.257 1.00 0.00 C ATOM 1631 NZ LYS A 101 14.476 1.010 13.575 1.00 0.00 N ATOM 0 H LYS A 101 20.007 -0.278 9.853 1.00 0.00 H new ATOM 0 HA LYS A 101 18.489 2.168 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.523 -0.147 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 101 18.073 -0.541 11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.684 1.385 12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.048 1.595 10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.138 -0.699 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.835 -0.977 12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.737 1.131 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.424 -0.397 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.593 1.141 14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.118 0.393 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.930 1.934 13.424 1.00 0.00 H new ATOM 1645 N GLY A 102 20.607 1.536 12.313 1.00 0.00 N ATOM 1646 CA GLY A 102 21.171 1.975 13.578 1.00 0.00 C ATOM 1647 C GLY A 102 21.133 3.484 13.726 1.00 0.00 C ATOM 1648 O GLY A 102 21.202 4.015 14.835 1.00 0.00 O ATOM 0 H GLY A 102 21.261 1.045 11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.620 1.517 14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.202 1.629 13.654 1.00 0.00 H new ATOM 1652 N GLU A 103 21.028 4.168 12.598 1.00 0.00 N ATOM 1653 CA GLU A 103 20.867 5.607 12.579 1.00 0.00 C ATOM 1654 C GLU A 103 19.569 5.959 11.856 1.00 0.00 C ATOM 1655 O GLU A 103 19.080 5.178 11.037 1.00 0.00 O ATOM 1656 CB GLU A 103 22.083 6.268 11.924 1.00 0.00 C ATOM 1657 CG GLU A 103 22.458 5.686 10.572 1.00 0.00 C ATOM 1658 CD GLU A 103 23.837 6.122 10.123 1.00 0.00 C ATOM 1659 OE1 GLU A 103 24.030 7.329 9.866 1.00 0.00 O ATOM 1660 OE2 GLU A 103 24.738 5.259 10.027 1.00 0.00 O ATOM 0 H GLU A 103 21.052 3.739 11.673 1.00 0.00 H new ATOM 0 HA GLU A 103 20.804 5.988 13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.883 7.333 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 103 22.937 6.177 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 103 22.422 4.598 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.722 5.994 9.829 1.00 0.00 H new ATOM 1667 N LEU A 104 19.014 7.125 12.157 1.00 0.00 N ATOM 1668 CA LEU A 104 17.672 7.472 11.705 1.00 0.00 C ATOM 1669 C LEU A 104 17.673 7.936 10.252 1.00 0.00 C ATOM 1670 O LEU A 104 16.785 7.573 9.479 1.00 0.00 O ATOM 1671 CB LEU A 104 17.071 8.552 12.608 1.00 0.00 C ATOM 1672 CG LEU A 104 15.600 8.883 12.340 1.00 0.00 C ATOM 1673 CD1 LEU A 104 14.728 7.651 12.525 1.00 0.00 C ATOM 1674 CD2 LEU A 104 15.137 10.006 13.253 1.00 0.00 C ATOM 0 H LEU A 104 19.472 7.848 12.713 1.00 0.00 H new ATOM 0 HA LEU A 104 17.057 6.574 11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.172 8.233 13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 104 17.658 9.464 12.497 1.00 0.00 H new ATOM 0 HG LEU A 104 15.505 9.214 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.687 7.909 12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.045 6.873 11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.826 7.286 13.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.090 10.231 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.248 9.699 14.293 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.740 10.895 13.071 1.00 0.00 H new ATOM 1686 N GLU A 105 18.663 8.740 9.880 1.00 0.00 N ATOM 1687 CA GLU A 105 18.777 9.198 8.502 1.00 0.00 C ATOM 1688 C GLU A 105 19.139 8.022 7.601 1.00 0.00 C ATOM 1689 O GLU A 105 20.161 7.368 7.809 1.00 0.00 O ATOM 1690 CB GLU A 105 19.816 10.319 8.382 1.00 0.00 C ATOM 1691 CG GLU A 105 19.938 10.875 6.972 1.00 0.00 C ATOM 1692 CD GLU A 105 20.756 12.149 6.897 1.00 0.00 C ATOM 1693 OE1 GLU A 105 20.199 13.233 7.167 1.00 0.00 O ATOM 1694 OE2 GLU A 105 21.947 12.084 6.526 1.00 0.00 O ATOM 0 H GLU A 105 19.391 9.085 10.506 1.00 0.00 H new ATOM 0 HA GLU A 105 17.817 9.605 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 105 19.549 11.128 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.787 9.941 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.394 10.121 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.940 11.069 6.578 1.00 0.00 H new ATOM 1701 N HIS A 106 18.288 7.744 6.616 1.00 0.00 N ATOM 1702 CA HIS A 106 18.464 6.577 5.755 1.00 0.00 C ATOM 1703 C HIS A 106 19.693 6.714 4.856 1.00 0.00 C ATOM 1704 O HIS A 106 19.648 7.358 3.811 1.00 0.00 O ATOM 1705 CB HIS A 106 17.192 6.284 4.932 1.00 0.00 C ATOM 1706 CG HIS A 106 16.620 7.455 4.181 1.00 0.00 C ATOM 1707 ND1 HIS A 106 15.700 8.322 4.731 1.00 0.00 N ATOM 1708 CD2 HIS A 106 16.802 7.868 2.904 1.00 0.00 C ATOM 1709 CE1 HIS A 106 15.345 9.216 3.827 1.00 0.00 C ATOM 1710 NE2 HIS A 106 15.998 8.963 2.711 1.00 0.00 N ATOM 0 H HIS A 106 17.470 8.311 6.394 1.00 0.00 H new ATOM 0 HA HIS A 106 18.637 5.721 6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 106 17.417 5.492 4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 106 16.426 5.898 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.458 7.419 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.639 10.019 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.919 9.495 1.844 1.00 0.00 H new ATOM 1719 N HIS A 107 20.785 6.083 5.304 1.00 0.00 N ATOM 1720 CA HIS A 107 22.095 6.108 4.634 1.00 0.00 C ATOM 1721 C HIS A 107 22.447 7.477 4.048 1.00 0.00 C ATOM 1722 O HIS A 107 22.858 7.580 2.893 1.00 0.00 O ATOM 1723 CB HIS A 107 22.238 4.992 3.577 1.00 0.00 C ATOM 1724 CG HIS A 107 21.098 4.848 2.609 1.00 0.00 C ATOM 1725 ND1 HIS A 107 20.141 3.864 2.730 1.00 0.00 N ATOM 1726 CD2 HIS A 107 20.784 5.537 1.482 1.00 0.00 C ATOM 1727 CE1 HIS A 107 19.290 3.953 1.723 1.00 0.00 C ATOM 1728 NE2 HIS A 107 19.655 4.959 0.949 1.00 0.00 N ATOM 0 H HIS A 107 20.785 5.529 6.160 1.00 0.00 H new ATOM 0 HA HIS A 107 22.823 5.909 5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.150 5.173 3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.369 4.043 4.096 1.00 0.00 H new ATOM 0 HD1 HIS A 107 20.096 3.174 3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.321 6.383 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.438 3.310 1.560 1.00 0.00 H new ATOM 1737 N HIS A 108 22.300 8.508 4.884 1.00 0.00 N ATOM 1738 CA HIS A 108 22.719 9.879 4.570 1.00 0.00 C ATOM 1739 C HIS A 108 21.857 10.544 3.497 1.00 0.00 C ATOM 1740 O HIS A 108 21.484 9.930 2.494 1.00 0.00 O ATOM 1741 CB HIS A 108 24.194 9.923 4.147 1.00 0.00 C ATOM 1742 CG HIS A 108 25.143 9.498 5.224 1.00 0.00 C ATOM 1743 ND1 HIS A 108 26.182 8.620 5.011 1.00 0.00 N ATOM 1744 CD2 HIS A 108 25.212 9.847 6.530 1.00 0.00 C ATOM 1745 CE1 HIS A 108 26.846 8.445 6.138 1.00 0.00 C ATOM 1746 NE2 HIS A 108 26.278 9.178 7.077 1.00 0.00 N ATOM 0 H HIS A 108 21.882 8.414 5.810 1.00 0.00 H new ATOM 0 HA HIS A 108 22.585 10.446 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.333 9.279 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 108 24.443 10.937 3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 108 24.550 10.527 7.046 1.00 0.00 H new ATOM 0 HE1 HIS A 108 27.709 7.809 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.581 9.237 8.049 1.00 0.00 H new ATOM 1755 N HIS A 109 21.533 11.813 3.724 1.00 0.00 N ATOM 1756 CA HIS A 109 20.906 12.629 2.694 1.00 0.00 C ATOM 1757 C HIS A 109 21.928 12.902 1.594 1.00 0.00 C ATOM 1758 O HIS A 109 23.044 13.337 1.876 1.00 0.00 O ATOM 1759 CB HIS A 109 20.326 13.938 3.272 1.00 0.00 C ATOM 1760 CG HIS A 109 21.300 14.815 4.012 1.00 0.00 C ATOM 1761 ND1 HIS A 109 21.466 14.770 5.378 1.00 0.00 N ATOM 1762 CD2 HIS A 109 22.131 15.791 3.574 1.00 0.00 C ATOM 1763 CE1 HIS A 109 22.348 15.675 5.746 1.00 0.00 C ATOM 1764 NE2 HIS A 109 22.770 16.310 4.672 1.00 0.00 N ATOM 0 H HIS A 109 21.694 12.295 4.608 1.00 0.00 H new ATOM 0 HA HIS A 109 20.061 12.085 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.896 14.515 2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.509 13.684 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 109 20.980 14.133 6.009 1.00 0.00 H new ATOM 0 HD2 HIS A 109 22.266 16.103 2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.671 15.865 6.759 1.00 0.00 H new ATOM 1773 N HIS A 110 21.544 12.632 0.348 1.00 0.00 N ATOM 1774 CA HIS A 110 22.492 12.618 -0.767 1.00 0.00 C ATOM 1775 C HIS A 110 23.228 13.948 -0.910 1.00 0.00 C ATOM 1776 O HIS A 110 24.432 13.971 -1.147 1.00 0.00 O ATOM 1777 CB HIS A 110 21.783 12.269 -2.074 1.00 0.00 C ATOM 1778 CG HIS A 110 22.559 11.315 -2.928 1.00 0.00 C ATOM 1779 ND1 HIS A 110 23.383 11.711 -3.958 1.00 0.00 N ATOM 1780 CD2 HIS A 110 22.642 9.965 -2.882 1.00 0.00 C ATOM 1781 CE1 HIS A 110 23.932 10.646 -4.513 1.00 0.00 C ATOM 1782 NE2 HIS A 110 23.501 9.575 -3.876 1.00 0.00 N ATOM 0 H HIS A 110 20.582 12.420 0.084 1.00 0.00 H new ATOM 0 HA HIS A 110 23.234 11.850 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.809 11.834 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.600 13.184 -2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 110 22.127 9.315 -2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 110 24.618 10.651 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 110 23.764 8.613 -4.089 1.00 0.00 H new ATOM 1791 N HIS A 111 22.508 15.047 -0.758 1.00 0.00 N ATOM 1792 CA HIS A 111 23.127 16.362 -0.821 1.00 0.00 C ATOM 1793 C HIS A 111 22.859 17.108 0.474 1.00 0.00 C ATOM 1794 O HIS A 111 21.677 17.227 0.851 1.00 0.00 O ATOM 1795 CB HIS A 111 22.644 17.170 -2.042 1.00 0.00 C ATOM 1796 CG HIS A 111 21.182 17.516 -2.045 1.00 0.00 C ATOM 1797 ND1 HIS A 111 20.696 18.737 -1.631 1.00 0.00 N ATOM 1798 CD2 HIS A 111 20.103 16.799 -2.436 1.00 0.00 C ATOM 1799 CE1 HIS A 111 19.386 18.756 -1.769 1.00 0.00 C ATOM 1800 NE2 HIS A 111 18.997 17.593 -2.258 1.00 0.00 N ATOM 1801 OXT HIS A 111 23.832 17.552 1.117 1.00 0.00 O ATOM 0 H HIS A 111 21.502 15.056 -0.591 1.00 0.00 H new ATOM 0 HA HIS A 111 24.202 16.231 -0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 111 23.219 18.094 -2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 111 22.868 16.602 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 111 20.110 15.789 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.738 19.585 -1.523 1.00 0.00 H new ATOM 0 HE2 HIS A 111 18.035 17.328 -2.469 1.00 0.00 H new TER 1810 HIS A 111