USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1592 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: B 79 MET CE :methyl -131:sc= -0.377 (180deg=-0.956) USER MOD Set 1.2: Y 105 HIS : no HE2:sc= -7.2! K(o=-9.3!,f=-10) USER MOD Set 1.3: Y 109 MET CE :methyl 171:sc= -1.6 (180deg=-0.0038) USER MOD Set 1.4: Y 112 THR OG1 : rot -130:sc= -0.125 USER MOD Set 2.1: A 79 MET CE :methyl -135:sc= -0.391 (180deg=-0.939) USER MOD Set 2.2: X 105 HIS : no HE2:sc= -8.17! C(o=-10!,f=-13!) USER MOD Set 2.3: X 109 MET CE :methyl 170:sc= -1.81 (180deg=-0.0018) USER MOD Set 2.4: X 112 THR OG1 : rot -130:sc= -0.121 USER MOD Set 3.1: A 78 SER OG : rot 17:sc= 0.984 USER MOD Set 3.2: B 78 SER OG : rot -144:sc= 0.462 USER MOD Set 4.1: B 33 LYS NZ :NH3+ 162:sc= -2.85 (180deg=-3.06!) USER MOD Set 4.2: B 37 ASN : amide:sc= -0.547 K(o=-3.4,f=-4.2) USER MOD Set 5.1: B 17 TYR OH : rot 15:sc= -0.361 USER MOD Set 5.2: B 38 ASN : amide:sc= -2.93! K(o=-3.3!,f=-1.6) USER MOD Set 6.1: A 81 THR OG1 : rot 69:sc= 0.0796 USER MOD Set 6.2: B 7 MET CE :methyl 157:sc= -0.14 (180deg=-0.236) USER MOD Set 7.1: A 33 LYS NZ :NH3+ 159:sc= -2.88 (180deg=-3.06!) USER MOD Set 7.2: A 37 ASN : amide:sc= -0.651 K(o=-3.5,f=-4.4) USER MOD Set 8.1: A 17 TYR OH : rot 15:sc= -0.28 USER MOD Set 8.2: A 38 ASN : amide:sc= -3.05! K(o=-3.3!,f=-1.7) USER MOD Set 9.1: A 7 MET CE :methyl -175:sc= -0.127 (180deg=-0.161) USER MOD Set 9.2: B 81 THR OG1 : rot 57:sc= 0.286 USER MOD Single : A 0 MET CE :methyl 140:sc= -0.195 (180deg=-1.13) USER MOD Single : A 0 MET N :NH3+ 171:sc= -1 (180deg=-1.13) USER MOD Single : A 1 SER OG : rot -13:sc= 0.116 USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.212) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0804 K(o=-0.08,f=-0.74) USER MOD Single : A 18 SER OG : rot -139:sc= 0.673 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -121:sc= -0.9 (180deg=-2.67!) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= -0.15 (180deg=-0.929) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 84:sc= 0.337 USER MOD Single : A 42 HIS : no HD1:sc= 0.641 K(o=0.64,f=-9.1!) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0.0523 (180deg=-1.1!) USER MOD Single : A 50 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.2!) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -0.299 (180deg=-1.44!) USER MOD Single : A 57 MET CE :methyl -116:sc= -5.08! (180deg=-9.22!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 36:sc= -0.264 USER MOD Single : A 71 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.8!) USER MOD Single : A 74 MET CE :methyl -109:sc= -1.81 (180deg=-8.52!) USER MOD Single : A 82 THR OG1 : rot -30:sc= 0.0167 USER MOD Single : A 84 CYS SG : rot 17:sc= 0.324 USER MOD Single : A 85 HIS : no HE2:sc= -0.686 K(o=-0.69,f=-2.4) USER MOD Single : B 0 MET CE :methyl 153:sc= -0.217 (180deg=-1.13) USER MOD Single : B 0 MET N :NH3+ -179:sc= -0.718 (180deg=-0.755) USER MOD Single : B 1 SER OG : rot -13:sc= 0.0922 USER MOD Single : B 5 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.582) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.85) USER MOD Single : B 18 SER OG : rot -125:sc= 0.658 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -120:sc= -1.04 (180deg=-3.01!) USER MOD Single : B 29 LYS NZ :NH3+ 153:sc= -0.152 (180deg=-0.972) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 83:sc= 0.343 USER MOD Single : B 42 HIS : no HD1:sc= 0.658 K(o=0.66,f=-8.9!) USER MOD Single : B 48 LYS NZ :NH3+ -125:sc= 0.26 (180deg=-0.928!) USER MOD Single : B 50 GLN : amide:sc= -2.53 K(o=-2.5,f=-5.1!) USER MOD Single : B 55 LYS NZ :NH3+ -148:sc= -0.274 (180deg=-1.35!) USER MOD Single : B 57 MET CE :methyl -115:sc= -5.21! (180deg=-9.34!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 33:sc= -0.256 USER MOD Single : B 71 GLN : amide:sc= -0.0505 K(o=-0.05,f=-2!) USER MOD Single : B 74 MET CE :methyl -107:sc= -2.01 (180deg=-8.8!) USER MOD Single : B 82 THR OG1 : rot -30:sc= -0.0105 USER MOD Single : B 84 CYS SG : rot 16:sc= 0.42 USER MOD Single : B 85 HIS : no HE2:sc= -0.657 K(o=-0.66,f=-2.9) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ -161:sc= -0.0288 (180deg=-0.437) USER MOD Single : X 111 LYS NZ :NH3+ -108:sc= -5.07 (180deg=-11.8!) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ -160:sc= -0.065 (180deg=-0.485) USER MOD Single : Y 111 LYS NZ :NH3+ -107:sc= -5.17 (180deg=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.433 -3.931 -13.654 1.00 0.00 N ATOM 2 CA MET A 0 0.083 -3.684 -15.082 1.00 0.00 C ATOM 3 C MET A 0 -1.062 -2.672 -15.153 1.00 0.00 C ATOM 4 O MET A 0 -2.157 -2.928 -14.695 1.00 0.00 O ATOM 5 CB MET A 0 -0.351 -5.003 -15.730 1.00 0.00 C ATOM 6 CG MET A 0 0.862 -5.928 -15.853 1.00 0.00 C ATOM 7 SD MET A 0 0.367 -7.499 -16.611 1.00 0.00 S ATOM 8 CE MET A 0 -0.076 -6.865 -18.248 1.00 0.00 C ATOM 0 H1 MET A 0 1.101 -4.726 -13.593 1.00 0.00 H new ATOM 0 H2 MET A 0 0.872 -3.078 -13.252 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.429 -4.162 -13.120 1.00 0.00 H new ATOM 0 HA MET A 0 0.949 -3.288 -15.613 1.00 0.00 H new ATOM 0 HB2 MET A 0 -1.126 -5.479 -15.130 1.00 0.00 H new ATOM 0 HB3 MET A 0 -0.780 -4.814 -16.714 1.00 0.00 H new ATOM 0 HG2 MET A 0 1.634 -5.451 -16.456 1.00 0.00 H new ATOM 0 HG3 MET A 0 1.293 -6.109 -14.868 1.00 0.00 H new ATOM 0 HE1 MET A 0 0.266 -7.562 -19.013 1.00 0.00 H new ATOM 0 HE2 MET A 0 -1.158 -6.755 -18.315 1.00 0.00 H new ATOM 0 HE3 MET A 0 0.398 -5.896 -18.403 1.00 0.00 H new ATOM 20 N SER A 1 -0.812 -1.520 -15.715 1.00 0.00 N ATOM 21 CA SER A 1 -1.880 -0.479 -15.811 1.00 0.00 C ATOM 22 C SER A 1 -2.469 -0.218 -14.422 1.00 0.00 C ATOM 23 O SER A 1 -3.651 0.018 -14.268 1.00 0.00 O ATOM 24 CB SER A 1 -2.984 -0.953 -16.760 1.00 0.00 C ATOM 25 OG SER A 1 -3.747 -1.975 -16.132 1.00 0.00 O ATOM 0 H SER A 1 0.088 -1.253 -16.113 1.00 0.00 H new ATOM 0 HA SER A 1 -1.448 0.444 -16.199 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.629 -0.117 -17.029 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.546 -1.329 -17.685 1.00 0.00 H new ATOM 0 HG SER A 1 -3.279 -2.286 -15.329 1.00 0.00 H new ATOM 31 N GLU A 2 -1.643 -0.248 -13.415 1.00 0.00 N ATOM 32 CA GLU A 2 -2.122 0.009 -12.027 1.00 0.00 C ATOM 33 C GLU A 2 -2.381 1.500 -11.852 1.00 0.00 C ATOM 34 O GLU A 2 -2.770 1.957 -10.796 1.00 0.00 O ATOM 35 CB GLU A 2 -1.055 -0.440 -11.033 1.00 0.00 C ATOM 36 CG GLU A 2 -0.907 -1.952 -11.123 1.00 0.00 C ATOM 37 CD GLU A 2 0.160 -2.422 -10.133 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.802 -1.573 -9.537 1.00 0.00 O ATOM 39 OE2 GLU A 2 0.322 -3.623 -9.992 1.00 0.00 O ATOM 0 H GLU A 2 -0.645 -0.442 -13.494 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.043 -0.546 -11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.105 0.046 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.335 -0.148 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.859 -2.435 -10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.630 -2.241 -12.137 1.00 0.00 H new ATOM 46 N LEU A 3 -2.134 2.266 -12.873 1.00 0.00 N ATOM 47 CA LEU A 3 -2.326 3.735 -12.765 1.00 0.00 C ATOM 48 C LEU A 3 -3.696 4.041 -12.146 1.00 0.00 C ATOM 49 O LEU A 3 -3.925 5.116 -11.652 1.00 0.00 O ATOM 50 CB LEU A 3 -2.212 4.375 -14.166 1.00 0.00 C ATOM 51 CG LEU A 3 -1.472 5.717 -14.077 1.00 0.00 C ATOM 52 CD1 LEU A 3 -1.369 6.328 -15.470 1.00 0.00 C ATOM 53 CD2 LEU A 3 -2.234 6.673 -13.153 1.00 0.00 C ATOM 0 H LEU A 3 -1.806 1.937 -13.781 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.554 4.155 -12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.680 3.702 -14.839 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.206 4.527 -14.587 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.473 5.552 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.844 7.281 -15.411 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.820 5.651 -16.125 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.369 6.489 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.703 7.623 -13.095 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.236 6.841 -13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.306 6.236 -12.157 1.00 0.00 H new ATOM 65 N GLU A 4 -4.613 3.121 -12.165 1.00 0.00 N ATOM 66 CA GLU A 4 -5.942 3.427 -11.556 1.00 0.00 C ATOM 67 C GLU A 4 -5.773 3.585 -10.046 1.00 0.00 C ATOM 68 O GLU A 4 -6.372 4.436 -9.421 1.00 0.00 O ATOM 69 CB GLU A 4 -6.913 2.275 -11.817 1.00 0.00 C ATOM 70 CG GLU A 4 -7.226 2.181 -13.308 1.00 0.00 C ATOM 71 CD GLU A 4 -8.197 1.024 -13.542 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.426 0.272 -12.609 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.700 0.912 -14.646 1.00 0.00 O ATOM 0 H GLU A 4 -4.510 2.188 -12.565 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.334 4.344 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.479 1.338 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.833 2.430 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.662 3.116 -13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.309 2.023 -13.876 1.00 0.00 H new ATOM 80 N LYS A 5 -4.966 2.754 -9.464 1.00 0.00 N ATOM 81 CA LYS A 5 -4.739 2.809 -7.996 1.00 0.00 C ATOM 82 C LYS A 5 -3.799 3.957 -7.635 1.00 0.00 C ATOM 83 O LYS A 5 -3.942 4.579 -6.608 1.00 0.00 O ATOM 84 CB LYS A 5 -4.109 1.492 -7.560 1.00 0.00 C ATOM 85 CG LYS A 5 -5.132 0.371 -7.727 1.00 0.00 C ATOM 86 CD LYS A 5 -4.493 -0.968 -7.352 1.00 0.00 C ATOM 87 CE LYS A 5 -3.366 -1.315 -8.344 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.234 -2.797 -8.430 1.00 0.00 N ATOM 0 H LYS A 5 -4.443 2.025 -9.950 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.691 2.972 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.221 1.283 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.786 1.555 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.000 0.560 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.487 0.340 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.093 -0.918 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.248 -1.754 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.588 -0.899 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.426 -0.872 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.324 -3.039 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.276 -3.205 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.010 -3.182 -9.005 1.00 0.00 H new ATOM 102 N ALA A 6 -2.801 4.201 -8.440 1.00 0.00 N ATOM 103 CA ALA A 6 -1.819 5.274 -8.105 1.00 0.00 C ATOM 104 C ALA A 6 -2.418 6.672 -8.253 1.00 0.00 C ATOM 105 O ALA A 6 -2.152 7.547 -7.460 1.00 0.00 O ATOM 106 CB ALA A 6 -0.590 5.142 -9.009 1.00 0.00 C ATOM 0 H ALA A 6 -2.622 3.706 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.535 5.148 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.127 5.925 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.128 4.167 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.893 5.240 -10.051 1.00 0.00 H new ATOM 112 N MET A 7 -3.201 6.900 -9.257 1.00 0.00 N ATOM 113 CA MET A 7 -3.790 8.257 -9.439 1.00 0.00 C ATOM 114 C MET A 7 -4.826 8.507 -8.343 1.00 0.00 C ATOM 115 O MET A 7 -4.935 9.594 -7.805 1.00 0.00 O ATOM 116 CB MET A 7 -4.443 8.352 -10.847 1.00 0.00 C ATOM 117 CG MET A 7 -3.698 9.370 -11.721 1.00 0.00 C ATOM 118 SD MET A 7 -4.177 9.163 -13.454 1.00 0.00 S ATOM 119 CE MET A 7 -2.973 10.319 -14.158 1.00 0.00 C ATOM 0 H MET A 7 -3.463 6.212 -9.963 1.00 0.00 H new ATOM 0 HA MET A 7 -3.012 9.017 -9.365 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.429 7.373 -11.327 1.00 0.00 H new ATOM 0 HB3 MET A 7 -5.489 8.644 -10.750 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.927 10.383 -11.390 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.622 9.235 -11.614 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.148 10.419 -15.229 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.081 11.293 -13.680 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.964 9.942 -13.989 1.00 0.00 H new ATOM 129 N VAL A 8 -5.590 7.511 -8.021 1.00 0.00 N ATOM 130 CA VAL A 8 -6.630 7.679 -6.974 1.00 0.00 C ATOM 131 C VAL A 8 -5.978 7.801 -5.597 1.00 0.00 C ATOM 132 O VAL A 8 -6.494 8.454 -4.717 1.00 0.00 O ATOM 133 CB VAL A 8 -7.570 6.474 -6.993 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.527 6.549 -5.799 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.377 6.484 -8.292 1.00 0.00 C ATOM 0 H VAL A 8 -5.541 6.582 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.196 8.588 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.986 5.556 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.196 5.689 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.953 6.546 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.113 7.466 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.049 5.626 -8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.960 7.403 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.698 6.430 -9.143 1.00 0.00 H new ATOM 145 N ALA A 9 -4.871 7.146 -5.397 1.00 0.00 N ATOM 146 CA ALA A 9 -4.201 7.193 -4.066 1.00 0.00 C ATOM 147 C ALA A 9 -3.510 8.536 -3.853 1.00 0.00 C ATOM 148 O ALA A 9 -3.460 9.050 -2.757 1.00 0.00 O ATOM 149 CB ALA A 9 -3.165 6.082 -3.978 1.00 0.00 C ATOM 0 H ALA A 9 -4.398 6.577 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.960 7.061 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.676 6.117 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.655 5.117 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.421 6.215 -4.763 1.00 0.00 H new ATOM 155 N LEU A 10 -2.958 9.096 -4.888 1.00 0.00 N ATOM 156 CA LEU A 10 -2.253 10.398 -4.745 1.00 0.00 C ATOM 157 C LEU A 10 -3.260 11.431 -4.235 1.00 0.00 C ATOM 158 O LEU A 10 -2.990 12.207 -3.336 1.00 0.00 O ATOM 159 CB LEU A 10 -1.706 10.802 -6.126 1.00 0.00 C ATOM 160 CG LEU A 10 -0.476 11.717 -5.989 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.831 12.943 -5.138 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.706 10.945 -5.353 1.00 0.00 C ATOM 0 H LEU A 10 -2.964 8.708 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.424 10.332 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.437 9.909 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.483 11.315 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.173 12.050 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.044 13.587 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.639 13.496 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.150 12.618 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.567 11.607 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.418 10.589 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.966 10.094 -5.983 1.00 0.00 H new ATOM 174 N ILE A 11 -4.429 11.414 -4.800 1.00 0.00 N ATOM 175 CA ILE A 11 -5.501 12.350 -4.377 1.00 0.00 C ATOM 176 C ILE A 11 -5.998 11.987 -2.965 1.00 0.00 C ATOM 177 O ILE A 11 -6.330 12.851 -2.177 1.00 0.00 O ATOM 178 CB ILE A 11 -6.656 12.269 -5.389 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.217 12.904 -6.719 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.879 13.006 -4.845 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.248 12.604 -7.815 1.00 0.00 C ATOM 0 H ILE A 11 -4.693 10.778 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.111 13.368 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.916 11.223 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.108 13.982 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.241 12.516 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.693 12.944 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.192 12.549 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.626 14.052 -4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.926 13.059 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.336 11.526 -7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.216 13.014 -7.526 1.00 0.00 H new ATOM 193 N ASP A 12 -6.095 10.719 -2.656 1.00 0.00 N ATOM 194 CA ASP A 12 -6.618 10.300 -1.315 1.00 0.00 C ATOM 195 C ASP A 12 -5.755 10.833 -0.162 1.00 0.00 C ATOM 196 O ASP A 12 -6.266 11.288 0.842 1.00 0.00 O ATOM 197 CB ASP A 12 -6.627 8.773 -1.245 1.00 0.00 C ATOM 198 CG ASP A 12 -7.710 8.222 -2.177 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.641 8.955 -2.472 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.591 7.076 -2.580 1.00 0.00 O ATOM 0 H ASP A 12 -5.834 9.951 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.621 10.713 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.652 8.380 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.813 8.447 -0.222 1.00 0.00 H new ATOM 205 N VAL A 13 -4.458 10.754 -0.275 1.00 0.00 N ATOM 206 CA VAL A 13 -3.586 11.227 0.841 1.00 0.00 C ATOM 207 C VAL A 13 -3.712 12.747 0.986 1.00 0.00 C ATOM 208 O VAL A 13 -3.756 13.282 2.083 1.00 0.00 O ATOM 209 CB VAL A 13 -2.117 10.779 0.578 1.00 0.00 C ATOM 210 CG1 VAL A 13 -1.215 11.950 0.160 1.00 0.00 C ATOM 211 CG2 VAL A 13 -1.546 10.142 1.846 1.00 0.00 C ATOM 0 H VAL A 13 -3.964 10.384 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.903 10.782 1.784 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.137 10.062 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.202 11.586 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.600 12.397 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.202 12.700 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.518 9.828 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.565 10.868 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.147 9.275 2.120 1.00 0.00 H new ATOM 221 N PHE A 14 -3.777 13.443 -0.107 1.00 0.00 N ATOM 222 CA PHE A 14 -3.903 14.915 -0.031 1.00 0.00 C ATOM 223 C PHE A 14 -5.168 15.258 0.750 1.00 0.00 C ATOM 224 O PHE A 14 -5.186 16.176 1.526 1.00 0.00 O ATOM 225 CB PHE A 14 -3.994 15.488 -1.453 1.00 0.00 C ATOM 226 CG PHE A 14 -4.457 16.927 -1.404 1.00 0.00 C ATOM 227 CD1 PHE A 14 -5.827 17.207 -1.345 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.529 17.972 -1.411 1.00 0.00 C ATOM 229 CE1 PHE A 14 -6.269 18.531 -1.293 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.971 19.297 -1.360 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.342 19.576 -1.299 1.00 0.00 C ATOM 0 H PHE A 14 -3.748 13.055 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.036 15.344 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.021 15.427 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.687 14.895 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.543 16.399 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.472 17.756 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.326 18.747 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.255 20.106 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.683 20.600 -1.257 1.00 0.00 H new ATOM 241 N HIS A 15 -6.225 14.536 0.537 1.00 0.00 N ATOM 242 CA HIS A 15 -7.493 14.829 1.261 1.00 0.00 C ATOM 243 C HIS A 15 -7.303 14.707 2.777 1.00 0.00 C ATOM 244 O HIS A 15 -7.897 15.442 3.540 1.00 0.00 O ATOM 245 CB HIS A 15 -8.585 13.863 0.798 1.00 0.00 C ATOM 246 CG HIS A 15 -9.866 14.167 1.524 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.619 15.301 1.251 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.542 13.497 2.513 1.00 0.00 C ATOM 249 CE1 HIS A 15 -11.696 15.278 2.059 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.694 14.201 2.846 1.00 0.00 N ATOM 0 H HIS A 15 -6.269 13.750 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.788 15.854 1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.734 13.955 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.281 12.834 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.228 12.567 2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.465 16.036 2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.391 13.947 3.546 1.00 0.00 H new ATOM 259 N GLN A 16 -6.520 13.769 3.230 1.00 0.00 N ATOM 260 CA GLN A 16 -6.354 13.600 4.701 1.00 0.00 C ATOM 261 C GLN A 16 -5.787 14.875 5.337 1.00 0.00 C ATOM 262 O GLN A 16 -6.192 15.263 6.415 1.00 0.00 O ATOM 263 CB GLN A 16 -5.379 12.451 4.968 1.00 0.00 C ATOM 264 CG GLN A 16 -6.012 11.120 4.558 1.00 0.00 C ATOM 265 CD GLN A 16 -7.144 10.774 5.524 1.00 0.00 C ATOM 266 OE1 GLN A 16 -7.009 10.937 6.721 1.00 0.00 O ATOM 267 NE2 GLN A 16 -8.263 10.297 5.053 1.00 0.00 N ATOM 0 H GLN A 16 -5.991 13.116 2.651 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.331 13.388 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.455 12.610 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.114 12.427 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.396 11.186 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.260 10.331 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.376 10.160 4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.025 10.061 5.689 1.00 0.00 H new ATOM 276 N TYR A 17 -4.841 15.523 4.706 1.00 0.00 N ATOM 277 CA TYR A 17 -4.253 16.759 5.325 1.00 0.00 C ATOM 278 C TYR A 17 -5.057 18.012 4.973 1.00 0.00 C ATOM 279 O TYR A 17 -5.156 18.928 5.760 1.00 0.00 O ATOM 280 CB TYR A 17 -2.806 16.916 4.844 1.00 0.00 C ATOM 281 CG TYR A 17 -1.929 15.995 5.649 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.780 14.661 5.265 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.291 16.475 6.794 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.983 13.804 6.024 1.00 0.00 C ATOM 285 CE2 TYR A 17 -0.498 15.621 7.560 1.00 0.00 C ATOM 286 CZ TYR A 17 -0.340 14.282 7.175 1.00 0.00 C ATOM 287 OH TYR A 17 0.443 13.434 7.932 1.00 0.00 O ATOM 0 H TYR A 17 -4.452 15.258 3.801 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.284 16.647 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.732 16.677 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.478 17.949 4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.281 14.293 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.411 17.508 7.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.861 12.773 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.007 15.990 8.448 1.00 0.00 H new ATOM 0 HH TYR A 17 0.639 12.623 7.418 1.00 0.00 H new ATOM 297 N SER A 18 -5.610 18.076 3.805 1.00 0.00 N ATOM 298 CA SER A 18 -6.380 19.288 3.415 1.00 0.00 C ATOM 299 C SER A 18 -7.546 19.493 4.384 1.00 0.00 C ATOM 300 O SER A 18 -7.858 20.601 4.772 1.00 0.00 O ATOM 301 CB SER A 18 -6.901 19.121 1.988 1.00 0.00 C ATOM 302 OG SER A 18 -7.215 20.401 1.461 1.00 0.00 O ATOM 0 H SER A 18 -5.565 17.342 3.098 1.00 0.00 H new ATOM 0 HA SER A 18 -5.731 20.163 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.150 18.632 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.785 18.483 1.982 1.00 0.00 H new ATOM 0 HG SER A 18 -8.049 20.348 0.948 1.00 0.00 H new ATOM 308 N GLY A 19 -8.194 18.433 4.776 1.00 0.00 N ATOM 309 CA GLY A 19 -9.341 18.565 5.718 1.00 0.00 C ATOM 310 C GLY A 19 -8.822 18.863 7.128 1.00 0.00 C ATOM 311 O GLY A 19 -9.585 19.135 8.033 1.00 0.00 O ATOM 0 H GLY A 19 -7.979 17.479 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.004 19.365 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.927 17.646 5.723 1.00 0.00 H new ATOM 315 N ARG A 20 -7.531 18.816 7.324 1.00 0.00 N ATOM 316 CA ARG A 20 -6.972 19.103 8.678 1.00 0.00 C ATOM 317 C ARG A 20 -7.356 20.518 9.102 1.00 0.00 C ATOM 318 O ARG A 20 -7.777 20.749 10.218 1.00 0.00 O ATOM 319 CB ARG A 20 -5.447 18.992 8.636 1.00 0.00 C ATOM 320 CG ARG A 20 -4.866 19.254 10.030 1.00 0.00 C ATOM 321 CD ARG A 20 -3.348 19.137 9.960 1.00 0.00 C ATOM 322 NE ARG A 20 -2.770 19.165 11.347 1.00 0.00 N ATOM 323 CZ ARG A 20 -2.966 20.172 12.157 1.00 0.00 C ATOM 324 NH1 ARG A 20 -3.531 21.269 11.732 1.00 0.00 N ATOM 325 NH2 ARG A 20 -2.550 20.098 13.392 1.00 0.00 N ATOM 0 H ARG A 20 -6.841 18.592 6.607 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.375 18.384 9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.155 18.000 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.041 19.709 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.152 20.247 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.267 18.537 10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.068 18.211 9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.938 19.956 9.369 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.208 18.375 11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.825 21.347 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.679 22.048 12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.075 19.257 13.721 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.700 20.881 14.029 1.00 0.00 H new ATOM 339 N GLU A 21 -7.186 21.471 8.221 1.00 0.00 N ATOM 340 CA GLU A 21 -7.506 22.895 8.555 1.00 0.00 C ATOM 341 C GLU A 21 -8.666 23.388 7.691 1.00 0.00 C ATOM 342 O GLU A 21 -8.968 22.834 6.653 1.00 0.00 O ATOM 343 CB GLU A 21 -6.272 23.754 8.278 1.00 0.00 C ATOM 344 CG GLU A 21 -5.140 23.342 9.223 1.00 0.00 C ATOM 345 CD GLU A 21 -5.505 23.723 10.659 1.00 0.00 C ATOM 346 OE1 GLU A 21 -5.754 24.894 10.895 1.00 0.00 O ATOM 347 OE2 GLU A 21 -5.532 22.838 11.499 1.00 0.00 O ATOM 0 H GLU A 21 -6.836 21.323 7.275 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.789 22.967 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.957 23.633 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.511 24.808 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.968 22.268 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.212 23.833 8.931 1.00 0.00 H new ATOM 354 N GLY A 22 -9.321 24.429 8.125 1.00 0.00 N ATOM 355 CA GLY A 22 -10.471 24.975 7.353 1.00 0.00 C ATOM 356 C GLY A 22 -10.104 25.115 5.873 1.00 0.00 C ATOM 357 O GLY A 22 -10.966 25.224 5.025 1.00 0.00 O ATOM 0 H GLY A 22 -9.107 24.928 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.333 24.317 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.759 25.946 7.756 1.00 0.00 H new ATOM 361 N ASP A 23 -8.838 25.128 5.547 1.00 0.00 N ATOM 362 CA ASP A 23 -8.447 25.279 4.117 1.00 0.00 C ATOM 363 C ASP A 23 -8.589 23.938 3.389 1.00 0.00 C ATOM 364 O ASP A 23 -7.640 23.409 2.851 1.00 0.00 O ATOM 365 CB ASP A 23 -6.996 25.755 4.043 1.00 0.00 C ATOM 366 CG ASP A 23 -6.760 26.830 5.105 1.00 0.00 C ATOM 367 OD1 ASP A 23 -7.444 27.839 5.060 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.902 26.625 5.947 1.00 0.00 O ATOM 0 H ASP A 23 -8.064 25.041 6.205 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.099 26.009 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.318 24.916 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.783 26.154 3.052 1.00 0.00 H new ATOM 373 N LYS A 24 -9.770 23.386 3.360 1.00 0.00 N ATOM 374 CA LYS A 24 -9.967 22.087 2.653 1.00 0.00 C ATOM 375 C LYS A 24 -9.654 22.267 1.164 1.00 0.00 C ATOM 376 O LYS A 24 -9.082 21.408 0.529 1.00 0.00 O ATOM 377 CB LYS A 24 -11.421 21.632 2.812 1.00 0.00 C ATOM 378 CG LYS A 24 -11.581 20.213 2.255 1.00 0.00 C ATOM 379 CD LYS A 24 -13.067 19.841 2.201 1.00 0.00 C ATOM 380 CE LYS A 24 -13.676 19.889 3.606 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.930 19.081 3.629 1.00 0.00 N ATOM 0 H LYS A 24 -10.607 23.776 3.794 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.302 21.337 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.707 21.655 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.086 22.317 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.145 20.153 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.042 19.503 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.598 20.529 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.184 18.843 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.966 19.500 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.889 20.920 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.345 19.112 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.607 19.472 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.713 18.095 3.378 1.00 0.00 H new ATOM 395 N HIS A 25 -10.055 23.371 0.598 1.00 0.00 N ATOM 396 CA HIS A 25 -9.808 23.603 -0.855 1.00 0.00 C ATOM 397 C HIS A 25 -8.367 24.068 -1.113 1.00 0.00 C ATOM 398 O HIS A 25 -7.898 24.017 -2.232 1.00 0.00 O ATOM 399 CB HIS A 25 -10.777 24.669 -1.371 1.00 0.00 C ATOM 400 CG HIS A 25 -12.173 24.110 -1.406 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.723 23.562 -2.558 1.00 0.00 N ATOM 402 CD2 HIS A 25 -13.145 24.012 -0.443 1.00 0.00 C ATOM 403 CE1 HIS A 25 -13.974 23.164 -2.261 1.00 0.00 C ATOM 404 NE2 HIS A 25 -14.278 23.417 -0.987 1.00 0.00 N ATOM 0 H HIS A 25 -10.545 24.125 1.079 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.964 22.660 -1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.743 25.548 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.479 24.993 -2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.046 24.345 0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -14.647 22.698 -2.966 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.158 23.216 -0.511 1.00 0.00 H new ATOM 413 N LYS A 26 -7.663 24.546 -0.111 1.00 0.00 N ATOM 414 CA LYS A 26 -6.259 25.034 -0.349 1.00 0.00 C ATOM 415 C LYS A 26 -5.334 24.642 0.808 1.00 0.00 C ATOM 416 O LYS A 26 -5.760 24.420 1.920 1.00 0.00 O ATOM 417 CB LYS A 26 -6.277 26.560 -0.478 1.00 0.00 C ATOM 418 CG LYS A 26 -7.029 26.960 -1.750 1.00 0.00 C ATOM 419 CD LYS A 26 -7.047 28.485 -1.877 1.00 0.00 C ATOM 420 CE LYS A 26 -7.799 28.877 -3.150 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.917 30.361 -3.224 1.00 0.00 N ATOM 0 H LYS A 26 -7.993 24.620 0.851 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.883 24.575 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.757 27.003 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.257 26.944 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.549 26.518 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.048 26.575 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.528 28.928 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.028 28.871 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.272 28.500 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.790 28.423 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.428 30.626 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.438 30.710 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.967 30.784 -3.240 1.00 0.00 H new ATOM 435 N LEU A 27 -4.055 24.572 0.538 1.00 0.00 N ATOM 436 CA LEU A 27 -3.053 24.216 1.595 1.00 0.00 C ATOM 437 C LEU A 27 -2.259 25.471 1.953 1.00 0.00 C ATOM 438 O LEU A 27 -1.772 26.165 1.088 1.00 0.00 O ATOM 439 CB LEU A 27 -2.073 23.149 1.050 1.00 0.00 C ATOM 440 CG LEU A 27 -2.603 21.722 1.272 1.00 0.00 C ATOM 441 CD1 LEU A 27 -2.518 21.329 2.754 1.00 0.00 C ATOM 442 CD2 LEU A 27 -4.050 21.613 0.788 1.00 0.00 C ATOM 0 H LEU A 27 -3.655 24.749 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.569 23.822 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.910 23.315 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.106 23.258 1.541 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.980 21.037 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.899 20.316 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.480 21.371 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.115 22.020 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.413 20.598 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.673 22.314 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.097 21.849 -0.275 1.00 0.00 H new ATOM 454 N LYS A 28 -2.104 25.756 3.219 1.00 0.00 N ATOM 455 CA LYS A 28 -1.312 26.949 3.626 1.00 0.00 C ATOM 456 C LYS A 28 0.050 26.459 4.100 1.00 0.00 C ATOM 457 O LYS A 28 0.168 25.356 4.595 1.00 0.00 O ATOM 458 CB LYS A 28 -2.021 27.670 4.774 1.00 0.00 C ATOM 459 CG LYS A 28 -3.410 28.120 4.317 1.00 0.00 C ATOM 460 CD LYS A 28 -4.123 28.843 5.466 1.00 0.00 C ATOM 461 CE LYS A 28 -3.350 30.117 5.850 1.00 0.00 C ATOM 462 NZ LYS A 28 -2.370 29.792 6.925 1.00 0.00 N ATOM 0 H LYS A 28 -2.493 25.212 3.989 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.205 27.640 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.107 27.007 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.435 28.532 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.323 28.783 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.996 27.258 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.139 29.101 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.201 28.182 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.832 30.519 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.042 30.887 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.569 30.374 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.450 28.786 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.406 29.989 6.587 1.00 0.00 H new ATOM 476 N LYS A 29 1.081 27.254 3.951 1.00 0.00 N ATOM 477 CA LYS A 29 2.436 26.813 4.401 1.00 0.00 C ATOM 478 C LYS A 29 2.310 26.117 5.759 1.00 0.00 C ATOM 479 O LYS A 29 3.105 25.274 6.124 1.00 0.00 O ATOM 480 CB LYS A 29 3.353 28.037 4.540 1.00 0.00 C ATOM 481 CG LYS A 29 2.921 28.894 5.735 1.00 0.00 C ATOM 482 CD LYS A 29 3.697 30.209 5.718 1.00 0.00 C ATOM 483 CE LYS A 29 3.403 30.989 7.002 1.00 0.00 C ATOM 484 NZ LYS A 29 3.831 30.191 8.186 1.00 0.00 N ATOM 0 H LYS A 29 1.043 28.186 3.539 1.00 0.00 H new ATOM 0 HA LYS A 29 2.860 26.124 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.386 27.713 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.319 28.631 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.850 29.090 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.108 28.360 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.766 30.012 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.414 30.800 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.928 31.944 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.338 31.212 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.050 30.831 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.064 29.546 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.678 29.638 7.944 1.00 0.00 H new ATOM 498 N SER A 30 1.297 26.478 6.497 1.00 0.00 N ATOM 499 CA SER A 30 1.081 25.855 7.837 1.00 0.00 C ATOM 500 C SER A 30 0.510 24.449 7.657 1.00 0.00 C ATOM 501 O SER A 30 0.998 23.487 8.218 1.00 0.00 O ATOM 502 CB SER A 30 0.101 26.704 8.650 1.00 0.00 C ATOM 503 OG SER A 30 -0.097 26.102 9.923 1.00 0.00 O ATOM 0 H SER A 30 0.606 27.180 6.231 1.00 0.00 H new ATOM 0 HA SER A 30 2.032 25.798 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.490 27.715 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.849 26.788 8.123 1.00 0.00 H new ATOM 0 HG SER A 30 -0.723 26.644 10.447 1.00 0.00 H new ATOM 509 N GLU A 31 -0.517 24.318 6.869 1.00 0.00 N ATOM 510 CA GLU A 31 -1.104 22.975 6.647 1.00 0.00 C ATOM 511 C GLU A 31 -0.087 22.147 5.856 1.00 0.00 C ATOM 512 O GLU A 31 0.037 20.951 6.032 1.00 0.00 O ATOM 513 CB GLU A 31 -2.423 23.126 5.879 1.00 0.00 C ATOM 514 CG GLU A 31 -3.276 21.863 6.036 1.00 0.00 C ATOM 515 CD GLU A 31 -4.675 22.132 5.478 1.00 0.00 C ATOM 516 OE1 GLU A 31 -4.899 23.232 5.001 1.00 0.00 O ATOM 517 OE2 GLU A 31 -5.498 21.234 5.533 1.00 0.00 O ATOM 0 H GLU A 31 -0.973 25.082 6.371 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.321 22.471 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.971 23.992 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.219 23.307 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.814 21.029 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.338 21.579 7.087 1.00 0.00 H new ATOM 524 N LEU A 32 0.661 22.796 4.999 1.00 0.00 N ATOM 525 CA LEU A 32 1.701 22.086 4.196 1.00 0.00 C ATOM 526 C LEU A 32 2.712 21.443 5.151 1.00 0.00 C ATOM 527 O LEU A 32 3.180 20.353 4.926 1.00 0.00 O ATOM 528 CB LEU A 32 2.418 23.093 3.293 1.00 0.00 C ATOM 529 CG LEU A 32 3.493 22.391 2.453 1.00 0.00 C ATOM 530 CD1 LEU A 32 2.849 21.321 1.556 1.00 0.00 C ATOM 531 CD2 LEU A 32 4.196 23.437 1.582 1.00 0.00 C ATOM 0 H LEU A 32 0.594 23.798 4.820 1.00 0.00 H new ATOM 0 HA LEU A 32 1.235 21.317 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.697 23.581 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.875 23.874 3.900 1.00 0.00 H new ATOM 0 HG LEU A 32 4.213 21.906 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.621 20.829 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.342 20.582 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.126 21.792 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.963 22.952 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.467 23.914 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.658 24.190 2.220 1.00 0.00 H new ATOM 543 N LYS A 33 3.046 22.123 6.214 1.00 0.00 N ATOM 544 CA LYS A 33 4.025 21.570 7.208 1.00 0.00 C ATOM 545 C LYS A 33 3.507 20.230 7.734 1.00 0.00 C ATOM 546 O LYS A 33 4.264 19.303 7.947 1.00 0.00 O ATOM 547 CB LYS A 33 4.149 22.572 8.380 1.00 0.00 C ATOM 548 CG LYS A 33 4.941 21.992 9.577 1.00 0.00 C ATOM 549 CD LYS A 33 6.427 21.861 9.234 1.00 0.00 C ATOM 550 CE LYS A 33 7.210 21.357 10.462 1.00 0.00 C ATOM 551 NZ LYS A 33 6.318 20.550 11.345 1.00 0.00 N ATOM 0 H LYS A 33 2.681 23.048 6.443 1.00 0.00 H new ATOM 0 HA LYS A 33 4.998 21.420 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.642 23.478 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.152 22.860 8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.820 22.638 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.538 21.016 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.557 21.170 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.821 22.825 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.058 20.753 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.615 22.203 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.896 19.934 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.749 21.187 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.687 19.966 10.760 1.00 0.00 H new ATOM 565 N GLU A 34 2.232 20.129 7.974 1.00 0.00 N ATOM 566 CA GLU A 34 1.677 18.863 8.514 1.00 0.00 C ATOM 567 C GLU A 34 1.777 17.761 7.460 1.00 0.00 C ATOM 568 O GLU A 34 2.092 16.635 7.764 1.00 0.00 O ATOM 569 CB GLU A 34 0.216 19.082 8.932 1.00 0.00 C ATOM 570 CG GLU A 34 0.162 20.106 10.071 1.00 0.00 C ATOM 571 CD GLU A 34 0.837 19.521 11.314 1.00 0.00 C ATOM 572 OE1 GLU A 34 0.909 18.306 11.406 1.00 0.00 O ATOM 573 OE2 GLU A 34 1.275 20.296 12.147 1.00 0.00 O ATOM 0 H GLU A 34 1.550 20.871 7.819 1.00 0.00 H new ATOM 0 HA GLU A 34 2.250 18.556 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.368 19.435 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.227 18.140 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.663 21.027 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.873 20.364 10.294 1.00 0.00 H new ATOM 580 N LEU A 35 1.521 18.064 6.224 1.00 0.00 N ATOM 581 CA LEU A 35 1.627 17.000 5.185 1.00 0.00 C ATOM 582 C LEU A 35 3.057 16.466 5.175 1.00 0.00 C ATOM 583 O LEU A 35 3.298 15.278 5.189 1.00 0.00 O ATOM 584 CB LEU A 35 1.303 17.618 3.805 1.00 0.00 C ATOM 585 CG LEU A 35 1.448 16.593 2.645 1.00 0.00 C ATOM 586 CD1 LEU A 35 2.929 16.240 2.367 1.00 0.00 C ATOM 587 CD2 LEU A 35 0.662 15.320 2.964 1.00 0.00 C ATOM 0 H LEU A 35 1.247 18.987 5.887 1.00 0.00 H new ATOM 0 HA LEU A 35 0.930 16.190 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.285 18.009 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.967 18.463 3.624 1.00 0.00 H new ATOM 0 HG LEU A 35 1.042 17.058 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.984 15.521 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.473 17.144 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.374 15.806 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.771 14.610 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.046 14.876 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.392 15.566 3.093 1.00 0.00 H new ATOM 599 N ILE A 36 4.002 17.353 5.114 1.00 0.00 N ATOM 600 CA ILE A 36 5.433 16.950 5.041 1.00 0.00 C ATOM 601 C ILE A 36 5.968 16.453 6.391 1.00 0.00 C ATOM 602 O ILE A 36 6.666 15.461 6.461 1.00 0.00 O ATOM 603 CB ILE A 36 6.247 18.170 4.597 1.00 0.00 C ATOM 604 CG1 ILE A 36 5.636 18.761 3.323 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.683 17.751 4.296 1.00 0.00 C ATOM 606 CD1 ILE A 36 6.408 20.021 2.925 1.00 0.00 C ATOM 0 H ILE A 36 3.843 18.361 5.111 1.00 0.00 H new ATOM 0 HA ILE A 36 5.523 16.126 4.333 1.00 0.00 H new ATOM 0 HB ILE A 36 6.235 18.911 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.672 18.029 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.586 19.002 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.258 18.622 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.133 17.324 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.686 17.007 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.974 20.442 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.349 20.753 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.452 19.766 2.743 1.00 0.00 H new ATOM 618 N ASN A 37 5.704 17.164 7.449 1.00 0.00 N ATOM 619 CA ASN A 37 6.259 16.766 8.777 1.00 0.00 C ATOM 620 C ASN A 37 5.671 15.445 9.287 1.00 0.00 C ATOM 621 O ASN A 37 6.355 14.650 9.900 1.00 0.00 O ATOM 622 CB ASN A 37 5.944 17.871 9.789 1.00 0.00 C ATOM 623 CG ASN A 37 6.568 17.525 11.142 1.00 0.00 C ATOM 624 OD1 ASN A 37 5.888 17.502 12.148 1.00 0.00 O ATOM 625 ND2 ASN A 37 7.843 17.257 11.211 1.00 0.00 N ATOM 0 H ASN A 37 5.127 18.005 7.455 1.00 0.00 H new ATOM 0 HA ASN A 37 7.333 16.624 8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.332 18.825 9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.865 17.985 9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.268 17.028 12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.415 17.276 10.366 1.00 0.00 H new ATOM 632 N ASN A 38 4.400 15.237 9.099 1.00 0.00 N ATOM 633 CA ASN A 38 3.738 13.997 9.639 1.00 0.00 C ATOM 634 C ASN A 38 3.553 12.890 8.592 1.00 0.00 C ATOM 635 O ASN A 38 3.589 11.722 8.925 1.00 0.00 O ATOM 636 CB ASN A 38 2.366 14.378 10.200 1.00 0.00 C ATOM 637 CG ASN A 38 1.692 13.139 10.793 1.00 0.00 C ATOM 638 OD1 ASN A 38 0.505 13.146 11.054 1.00 0.00 O ATOM 639 ND2 ASN A 38 2.402 12.068 11.016 1.00 0.00 N ATOM 0 H ASN A 38 3.780 15.870 8.593 1.00 0.00 H new ATOM 0 HA ASN A 38 4.397 13.596 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.475 15.146 10.965 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.744 14.800 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.961 11.237 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.398 12.062 10.797 1.00 0.00 H new ATOM 646 N GLU A 39 3.314 13.212 7.350 1.00 0.00 N ATOM 647 CA GLU A 39 3.085 12.120 6.350 1.00 0.00 C ATOM 648 C GLU A 39 4.431 11.571 5.854 1.00 0.00 C ATOM 649 O GLU A 39 4.506 10.474 5.337 1.00 0.00 O ATOM 650 CB GLU A 39 2.249 12.672 5.173 1.00 0.00 C ATOM 651 CG GLU A 39 1.440 11.547 4.514 1.00 0.00 C ATOM 652 CD GLU A 39 2.384 10.549 3.846 1.00 0.00 C ATOM 653 OE1 GLU A 39 3.065 10.942 2.914 1.00 0.00 O ATOM 654 OE2 GLU A 39 2.414 9.409 4.280 1.00 0.00 O ATOM 0 H GLU A 39 3.267 14.163 6.985 1.00 0.00 H new ATOM 0 HA GLU A 39 2.537 11.302 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.575 13.450 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.907 13.134 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.831 11.040 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.756 11.964 3.775 1.00 0.00 H new ATOM 661 N LEU A 40 5.496 12.316 6.024 1.00 0.00 N ATOM 662 CA LEU A 40 6.849 11.842 5.575 1.00 0.00 C ATOM 663 C LEU A 40 7.753 11.665 6.796 1.00 0.00 C ATOM 664 O LEU A 40 8.944 11.896 6.735 1.00 0.00 O ATOM 665 CB LEU A 40 7.482 12.883 4.648 1.00 0.00 C ATOM 666 CG LEU A 40 6.483 13.314 3.568 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.163 14.290 2.599 1.00 0.00 C ATOM 668 CD2 LEU A 40 5.982 12.095 2.790 1.00 0.00 C ATOM 0 H LEU A 40 5.489 13.239 6.457 1.00 0.00 H new ATOM 0 HA LEU A 40 6.737 10.896 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.798 13.751 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.376 12.468 4.181 1.00 0.00 H new ATOM 0 HG LEU A 40 5.635 13.802 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.452 14.596 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.505 15.168 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.016 13.801 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.273 12.417 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.826 11.595 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.489 11.404 3.474 1.00 0.00 H new ATOM 680 N SER A 41 7.197 11.274 7.908 1.00 0.00 N ATOM 681 CA SER A 41 8.025 11.106 9.136 1.00 0.00 C ATOM 682 C SER A 41 9.118 10.063 8.890 1.00 0.00 C ATOM 683 O SER A 41 10.239 10.225 9.330 1.00 0.00 O ATOM 684 CB SER A 41 7.134 10.640 10.287 1.00 0.00 C ATOM 685 OG SER A 41 6.152 11.633 10.553 1.00 0.00 O ATOM 0 H SER A 41 6.205 11.063 8.021 1.00 0.00 H new ATOM 0 HA SER A 41 8.488 12.060 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.653 9.696 10.031 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.736 10.459 11.178 1.00 0.00 H new ATOM 0 HG SER A 41 5.396 11.518 9.940 1.00 0.00 H new ATOM 691 N HIS A 42 8.803 8.992 8.199 1.00 0.00 N ATOM 692 CA HIS A 42 9.830 7.930 7.926 1.00 0.00 C ATOM 693 C HIS A 42 10.074 7.798 6.419 1.00 0.00 C ATOM 694 O HIS A 42 11.006 7.146 5.992 1.00 0.00 O ATOM 695 CB HIS A 42 9.329 6.593 8.476 1.00 0.00 C ATOM 696 CG HIS A 42 8.071 6.190 7.757 1.00 0.00 C ATOM 697 ND1 HIS A 42 6.822 6.658 8.139 1.00 0.00 N ATOM 698 CD2 HIS A 42 7.851 5.368 6.678 1.00 0.00 C ATOM 699 CE1 HIS A 42 5.914 6.121 7.303 1.00 0.00 C ATOM 700 NE2 HIS A 42 6.490 5.329 6.398 1.00 0.00 N ATOM 0 H HIS A 42 7.878 8.806 7.811 1.00 0.00 H new ATOM 0 HA HIS A 42 10.765 8.208 8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.094 5.827 8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.137 6.677 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.616 4.835 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.852 6.308 7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 42 6.028 4.804 5.655 1.00 0.00 H new ATOM 709 N PHE A 43 9.252 8.404 5.604 1.00 0.00 N ATOM 710 CA PHE A 43 9.462 8.294 4.129 1.00 0.00 C ATOM 711 C PHE A 43 10.793 8.960 3.758 1.00 0.00 C ATOM 712 O PHE A 43 11.564 8.440 2.976 1.00 0.00 O ATOM 713 CB PHE A 43 8.313 8.998 3.391 1.00 0.00 C ATOM 714 CG PHE A 43 8.280 8.560 1.939 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.272 8.996 1.050 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.257 7.715 1.480 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.243 8.592 -0.289 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.232 7.313 0.138 1.00 0.00 C ATOM 719 CZ PHE A 43 8.224 7.751 -0.745 1.00 0.00 C ATOM 0 H PHE A 43 8.451 8.966 5.891 1.00 0.00 H new ATOM 0 HA PHE A 43 9.485 7.243 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.363 8.762 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.441 10.079 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.061 9.646 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.490 7.375 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.009 8.930 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.445 6.663 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.203 7.440 -1.779 1.00 0.00 H new ATOM 729 N LEU A 44 11.060 10.115 4.311 1.00 0.00 N ATOM 730 CA LEU A 44 12.333 10.830 3.993 1.00 0.00 C ATOM 731 C LEU A 44 12.635 11.855 5.079 1.00 0.00 C ATOM 732 O LEU A 44 11.866 12.048 5.999 1.00 0.00 O ATOM 733 CB LEU A 44 12.238 11.537 2.629 1.00 0.00 C ATOM 734 CG LEU A 44 10.887 12.262 2.458 1.00 0.00 C ATOM 735 CD1 LEU A 44 10.852 13.552 3.294 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.699 12.618 0.975 1.00 0.00 C ATOM 0 H LEU A 44 10.449 10.596 4.971 1.00 0.00 H new ATOM 0 HA LEU A 44 13.137 10.095 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.052 12.256 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.363 10.806 1.830 1.00 0.00 H new ATOM 0 HG LEU A 44 10.087 11.604 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.891 14.047 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.989 13.307 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.652 14.218 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.747 13.131 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.511 13.270 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.706 11.706 0.378 1.00 0.00 H new ATOM 748 N GLU A 45 13.754 12.515 4.978 1.00 0.00 N ATOM 749 CA GLU A 45 14.105 13.526 6.003 1.00 0.00 C ATOM 750 C GLU A 45 12.944 14.506 6.143 1.00 0.00 C ATOM 751 O GLU A 45 12.817 15.451 5.389 1.00 0.00 O ATOM 752 CB GLU A 45 15.366 14.279 5.565 1.00 0.00 C ATOM 753 CG GLU A 45 15.759 15.303 6.633 1.00 0.00 C ATOM 754 CD GLU A 45 16.143 14.575 7.923 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.478 13.405 7.841 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.090 15.199 8.970 1.00 0.00 O ATOM 0 H GLU A 45 14.437 12.396 4.230 1.00 0.00 H new ATOM 0 HA GLU A 45 14.294 13.039 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.183 13.575 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.188 14.782 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.595 15.908 6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.929 15.985 6.821 1.00 0.00 H new ATOM 763 N GLU A 46 12.097 14.288 7.105 1.00 0.00 N ATOM 764 CA GLU A 46 10.942 15.205 7.298 1.00 0.00 C ATOM 765 C GLU A 46 11.465 16.615 7.596 1.00 0.00 C ATOM 766 O GLU A 46 12.654 16.868 7.561 1.00 0.00 O ATOM 767 CB GLU A 46 10.059 14.695 8.450 1.00 0.00 C ATOM 768 CG GLU A 46 10.701 15.021 9.803 1.00 0.00 C ATOM 769 CD GLU A 46 9.979 14.256 10.913 1.00 0.00 C ATOM 770 OE1 GLU A 46 8.763 14.332 10.965 1.00 0.00 O ATOM 771 OE2 GLU A 46 10.656 13.605 11.692 1.00 0.00 O ATOM 0 H GLU A 46 12.153 13.514 7.767 1.00 0.00 H new ATOM 0 HA GLU A 46 10.336 15.237 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.072 15.153 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.917 13.618 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.757 14.752 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.648 16.093 9.993 1.00 0.00 H new ATOM 778 N ILE A 47 10.584 17.538 7.875 1.00 0.00 N ATOM 779 CA ILE A 47 11.014 18.941 8.160 1.00 0.00 C ATOM 780 C ILE A 47 11.201 19.136 9.662 1.00 0.00 C ATOM 781 O ILE A 47 10.515 18.536 10.466 1.00 0.00 O ATOM 782 CB ILE A 47 9.941 19.922 7.670 1.00 0.00 C ATOM 783 CG1 ILE A 47 9.646 19.683 6.173 1.00 0.00 C ATOM 784 CG2 ILE A 47 10.416 21.370 7.910 1.00 0.00 C ATOM 785 CD1 ILE A 47 10.655 20.420 5.283 1.00 0.00 C ATOM 0 H ILE A 47 9.577 17.381 7.918 1.00 0.00 H new ATOM 0 HA ILE A 47 11.956 19.128 7.644 1.00 0.00 H new ATOM 0 HB ILE A 47 9.019 19.759 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.681 18.615 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.637 20.022 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.653 22.066 7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.589 21.524 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.343 21.544 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.421 20.232 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.601 21.491 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.661 20.062 5.500 1.00 0.00 H new ATOM 797 N LYS A 48 12.138 19.967 10.042 1.00 0.00 N ATOM 798 CA LYS A 48 12.404 20.215 11.492 1.00 0.00 C ATOM 799 C LYS A 48 12.043 21.666 11.842 1.00 0.00 C ATOM 800 O LYS A 48 11.767 21.981 12.983 1.00 0.00 O ATOM 801 CB LYS A 48 13.893 19.974 11.766 1.00 0.00 C ATOM 802 CG LYS A 48 14.369 18.713 11.023 1.00 0.00 C ATOM 803 CD LYS A 48 13.626 17.473 11.531 1.00 0.00 C ATOM 804 CE LYS A 48 14.167 16.240 10.811 1.00 0.00 C ATOM 805 NZ LYS A 48 15.587 16.017 11.204 1.00 0.00 N ATOM 0 H LYS A 48 12.737 20.490 9.403 1.00 0.00 H new ATOM 0 HA LYS A 48 11.800 19.542 12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.475 20.837 11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.060 19.860 12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.201 18.830 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.442 18.584 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.759 17.369 12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.556 17.575 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.567 15.366 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.094 16.375 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.178 15.959 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.911 16.808 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.664 15.129 11.739 1.00 0.00 H new ATOM 819 N GLU A 49 12.042 22.550 10.871 1.00 0.00 N ATOM 820 CA GLU A 49 11.696 23.987 11.141 1.00 0.00 C ATOM 821 C GLU A 49 10.676 24.485 10.118 1.00 0.00 C ATOM 822 O GLU A 49 10.591 23.992 9.011 1.00 0.00 O ATOM 823 CB GLU A 49 12.951 24.859 11.035 1.00 0.00 C ATOM 824 CG GLU A 49 13.867 24.631 12.233 1.00 0.00 C ATOM 825 CD GLU A 49 13.183 25.114 13.515 1.00 0.00 C ATOM 826 OE1 GLU A 49 12.397 26.043 13.429 1.00 0.00 O ATOM 827 OE2 GLU A 49 13.455 24.545 14.559 1.00 0.00 O ATOM 0 H GLU A 49 12.267 22.339 9.899 1.00 0.00 H new ATOM 0 HA GLU A 49 11.278 24.054 12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.485 24.627 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.667 25.910 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.111 23.572 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.807 25.164 12.089 1.00 0.00 H new ATOM 834 N GLN A 50 9.916 25.477 10.487 1.00 0.00 N ATOM 835 CA GLN A 50 8.908 26.046 9.555 1.00 0.00 C ATOM 836 C GLN A 50 9.631 26.791 8.435 1.00 0.00 C ATOM 837 O GLN A 50 9.103 26.960 7.358 1.00 0.00 O ATOM 838 CB GLN A 50 8.016 27.037 10.311 1.00 0.00 C ATOM 839 CG GLN A 50 7.299 26.321 11.456 1.00 0.00 C ATOM 840 CD GLN A 50 6.386 25.231 10.895 1.00 0.00 C ATOM 841 OE1 GLN A 50 6.155 24.229 11.542 1.00 0.00 O ATOM 842 NE2 GLN A 50 5.852 25.383 9.713 1.00 0.00 N ATOM 0 H GLN A 50 9.952 25.921 11.404 1.00 0.00 H new ATOM 0 HA GLN A 50 8.299 25.242 9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.618 27.856 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.286 27.475 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.029 25.882 12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.714 27.036 12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.046 26.224 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.241 24.660 9.333 1.00 0.00 H new ATOM 851 N GLU A 51 10.825 27.265 8.686 1.00 0.00 N ATOM 852 CA GLU A 51 11.553 28.027 7.625 1.00 0.00 C ATOM 853 C GLU A 51 11.775 27.156 6.396 1.00 0.00 C ATOM 854 O GLU A 51 11.657 27.614 5.282 1.00 0.00 O ATOM 855 CB GLU A 51 12.903 28.504 8.167 1.00 0.00 C ATOM 856 CG GLU A 51 13.844 27.309 8.342 1.00 0.00 C ATOM 857 CD GLU A 51 15.062 27.735 9.163 1.00 0.00 C ATOM 858 OE1 GLU A 51 15.890 28.455 8.629 1.00 0.00 O ATOM 859 OE2 GLU A 51 15.145 27.337 10.314 1.00 0.00 O ATOM 0 H GLU A 51 11.323 27.159 9.570 1.00 0.00 H new ATOM 0 HA GLU A 51 10.949 28.888 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.344 29.229 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.763 29.011 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.323 26.492 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.161 26.936 7.368 1.00 0.00 H new ATOM 866 N VAL A 52 12.099 25.912 6.576 1.00 0.00 N ATOM 867 CA VAL A 52 12.323 25.047 5.394 1.00 0.00 C ATOM 868 C VAL A 52 11.051 24.997 4.583 1.00 0.00 C ATOM 869 O VAL A 52 11.073 25.014 3.374 1.00 0.00 O ATOM 870 CB VAL A 52 12.702 23.638 5.838 1.00 0.00 C ATOM 871 CG1 VAL A 52 13.043 22.796 4.609 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.906 23.702 6.786 1.00 0.00 C ATOM 0 H VAL A 52 12.218 25.460 7.482 1.00 0.00 H new ATOM 0 HA VAL A 52 13.136 25.454 4.793 1.00 0.00 H new ATOM 0 HB VAL A 52 11.864 23.181 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.314 21.788 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.177 22.750 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.881 23.249 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.175 22.694 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.751 24.158 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.649 24.300 7.661 1.00 0.00 H new ATOM 882 N VAL A 53 9.944 24.925 5.243 1.00 0.00 N ATOM 883 CA VAL A 53 8.660 24.868 4.518 1.00 0.00 C ATOM 884 C VAL A 53 8.472 26.142 3.720 1.00 0.00 C ATOM 885 O VAL A 53 8.001 26.108 2.618 1.00 0.00 O ATOM 886 CB VAL A 53 7.522 24.716 5.521 1.00 0.00 C ATOM 887 CG1 VAL A 53 6.193 24.625 4.773 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.751 23.447 6.355 1.00 0.00 C ATOM 0 H VAL A 53 9.871 24.903 6.260 1.00 0.00 H new ATOM 0 HA VAL A 53 8.660 24.016 3.838 1.00 0.00 H new ATOM 0 HB VAL A 53 7.494 25.580 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.379 24.516 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.042 25.532 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.208 23.762 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.940 23.333 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.777 22.579 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.699 23.527 6.887 1.00 0.00 H new ATOM 898 N ASP A 54 8.832 27.261 4.273 1.00 0.00 N ATOM 899 CA ASP A 54 8.666 28.545 3.539 1.00 0.00 C ATOM 900 C ASP A 54 9.497 28.515 2.259 1.00 0.00 C ATOM 901 O ASP A 54 9.077 28.979 1.221 1.00 0.00 O ATOM 902 CB ASP A 54 9.124 29.706 4.424 1.00 0.00 C ATOM 903 CG ASP A 54 8.774 31.033 3.748 1.00 0.00 C ATOM 904 OD1 ASP A 54 8.571 31.027 2.546 1.00 0.00 O ATOM 905 OD2 ASP A 54 8.714 32.033 4.445 1.00 0.00 O ATOM 0 H ASP A 54 9.236 27.344 5.206 1.00 0.00 H new ATOM 0 HA ASP A 54 7.615 28.681 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.643 29.645 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.199 29.645 4.594 1.00 0.00 H new ATOM 910 N LYS A 55 10.674 27.971 2.329 1.00 0.00 N ATOM 911 CA LYS A 55 11.541 27.902 1.116 1.00 0.00 C ATOM 912 C LYS A 55 10.844 27.025 0.089 1.00 0.00 C ATOM 913 O LYS A 55 10.822 27.312 -1.094 1.00 0.00 O ATOM 914 CB LYS A 55 12.901 27.296 1.478 1.00 0.00 C ATOM 915 CG LYS A 55 13.800 27.281 0.233 1.00 0.00 C ATOM 916 CD LYS A 55 15.210 26.780 0.592 1.00 0.00 C ATOM 917 CE LYS A 55 16.051 27.922 1.182 1.00 0.00 C ATOM 918 NZ LYS A 55 16.096 29.057 0.216 1.00 0.00 N ATOM 0 H LYS A 55 11.079 27.568 3.174 1.00 0.00 H new ATOM 0 HA LYS A 55 11.705 28.902 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.370 27.877 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.771 26.283 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.363 26.638 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.861 28.283 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.140 25.963 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.699 26.382 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.622 28.252 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.061 27.572 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.000 29.561 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.008 28.691 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.312 29.711 0.412 1.00 0.00 H new ATOM 932 N VAL A 56 10.248 25.967 0.550 1.00 0.00 N ATOM 933 CA VAL A 56 9.516 25.060 -0.367 1.00 0.00 C ATOM 934 C VAL A 56 8.321 25.822 -0.925 1.00 0.00 C ATOM 935 O VAL A 56 7.888 25.602 -2.039 1.00 0.00 O ATOM 936 CB VAL A 56 9.044 23.824 0.410 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.942 23.094 -0.368 1.00 0.00 C ATOM 938 CG2 VAL A 56 10.228 22.876 0.610 1.00 0.00 C ATOM 0 H VAL A 56 10.237 25.690 1.531 1.00 0.00 H new ATOM 0 HA VAL A 56 10.160 24.731 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 56 8.647 24.141 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.617 22.219 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.096 23.765 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.329 22.778 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.900 21.995 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.618 22.571 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.011 23.385 1.172 1.00 0.00 H new ATOM 948 N MET A 57 7.788 26.719 -0.149 1.00 0.00 N ATOM 949 CA MET A 57 6.621 27.504 -0.625 1.00 0.00 C ATOM 950 C MET A 57 7.080 28.453 -1.715 1.00 0.00 C ATOM 951 O MET A 57 6.345 28.787 -2.604 1.00 0.00 O ATOM 952 CB MET A 57 5.981 28.269 0.532 1.00 0.00 C ATOM 953 CG MET A 57 5.290 27.269 1.463 1.00 0.00 C ATOM 954 SD MET A 57 3.817 26.586 0.657 1.00 0.00 S ATOM 955 CE MET A 57 2.676 27.956 0.980 1.00 0.00 C ATOM 0 H MET A 57 8.109 26.942 0.793 1.00 0.00 H new ATOM 0 HA MET A 57 5.866 26.830 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.739 28.831 1.078 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.259 28.992 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.979 26.465 1.722 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.010 27.761 2.395 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.868 27.612 1.626 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.212 28.768 1.471 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.260 28.313 0.038 1.00 0.00 H new ATOM 965 N GLU A 58 8.305 28.869 -1.690 1.00 0.00 N ATOM 966 CA GLU A 58 8.768 29.768 -2.770 1.00 0.00 C ATOM 967 C GLU A 58 8.594 28.999 -4.077 1.00 0.00 C ATOM 968 O GLU A 58 8.174 29.532 -5.085 1.00 0.00 O ATOM 969 CB GLU A 58 10.242 30.119 -2.546 1.00 0.00 C ATOM 970 CG GLU A 58 10.690 31.158 -3.575 1.00 0.00 C ATOM 971 CD GLU A 58 9.988 32.490 -3.300 1.00 0.00 C ATOM 972 OE1 GLU A 58 9.513 32.670 -2.190 1.00 0.00 O ATOM 973 OE2 GLU A 58 9.938 33.308 -4.204 1.00 0.00 O ATOM 0 H GLU A 58 8.998 28.631 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 58 8.203 30.700 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.383 30.508 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.856 29.222 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.771 31.289 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.455 30.812 -4.582 1.00 0.00 H new ATOM 980 N THR A 59 8.900 27.733 -4.046 1.00 0.00 N ATOM 981 CA THR A 59 8.747 26.882 -5.256 1.00 0.00 C ATOM 982 C THR A 59 7.284 26.443 -5.444 1.00 0.00 C ATOM 983 O THR A 59 6.789 26.378 -6.552 1.00 0.00 O ATOM 984 CB THR A 59 9.627 25.645 -5.092 1.00 0.00 C ATOM 985 OG1 THR A 59 10.974 26.050 -4.902 1.00 0.00 O ATOM 986 CG2 THR A 59 9.525 24.760 -6.333 1.00 0.00 C ATOM 0 H THR A 59 9.254 27.246 -3.223 1.00 0.00 H new ATOM 0 HA THR A 59 9.045 27.456 -6.133 1.00 0.00 H new ATOM 0 HB THR A 59 9.290 25.076 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.542 25.258 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.156 23.881 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.490 24.447 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.855 25.320 -7.208 1.00 0.00 H new ATOM 994 N LEU A 60 6.597 26.105 -4.380 1.00 0.00 N ATOM 995 CA LEU A 60 5.183 25.632 -4.514 1.00 0.00 C ATOM 996 C LEU A 60 4.217 26.815 -4.474 1.00 0.00 C ATOM 997 O LEU A 60 3.079 26.703 -4.887 1.00 0.00 O ATOM 998 CB LEU A 60 4.854 24.668 -3.355 1.00 0.00 C ATOM 999 CG LEU A 60 5.179 23.216 -3.748 1.00 0.00 C ATOM 1000 CD1 LEU A 60 4.169 22.708 -4.811 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.624 23.129 -4.280 1.00 0.00 C ATOM 0 H LEU A 60 6.954 26.136 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 60 5.074 25.119 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.425 24.947 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.799 24.752 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 60 5.094 22.580 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.410 21.680 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.159 22.749 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.227 23.338 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.848 22.099 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.729 23.771 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.317 23.456 -3.505 1.00 0.00 H new ATOM 1013 N ASP A 61 4.641 27.946 -3.991 1.00 0.00 N ATOM 1014 CA ASP A 61 3.706 29.102 -3.952 1.00 0.00 C ATOM 1015 C ASP A 61 3.662 29.697 -5.344 1.00 0.00 C ATOM 1016 O ASP A 61 4.005 30.841 -5.570 1.00 0.00 O ATOM 1017 CB ASP A 61 4.173 30.159 -2.951 1.00 0.00 C ATOM 1018 CG ASP A 61 3.094 31.230 -2.818 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.049 31.070 -3.428 1.00 0.00 O ATOM 1020 OD2 ASP A 61 3.336 32.198 -2.118 1.00 0.00 O ATOM 0 H ASP A 61 5.578 28.120 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 61 2.718 28.767 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.368 29.699 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.109 30.607 -3.286 1.00 0.00 H new ATOM 1025 N GLU A 62 3.241 28.909 -6.281 1.00 0.00 N ATOM 1026 CA GLU A 62 3.165 29.383 -7.679 1.00 0.00 C ATOM 1027 C GLU A 62 2.217 30.578 -7.732 1.00 0.00 C ATOM 1028 O GLU A 62 2.419 31.514 -8.479 1.00 0.00 O ATOM 1029 CB GLU A 62 2.635 28.249 -8.548 1.00 0.00 C ATOM 1030 CG GLU A 62 3.450 26.979 -8.266 1.00 0.00 C ATOM 1031 CD GLU A 62 3.158 25.928 -9.340 1.00 0.00 C ATOM 1032 OE1 GLU A 62 3.774 25.998 -10.390 1.00 0.00 O ATOM 1033 OE2 GLU A 62 2.331 25.067 -9.093 1.00 0.00 O ATOM 0 H GLU A 62 2.943 27.944 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 62 4.147 29.685 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.580 28.074 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.708 28.517 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.514 27.214 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.199 26.586 -7.281 1.00 0.00 H new ATOM 1040 N ASP A 63 1.193 30.560 -6.926 1.00 0.00 N ATOM 1041 CA ASP A 63 0.242 31.703 -6.910 1.00 0.00 C ATOM 1042 C ASP A 63 0.880 32.853 -6.130 1.00 0.00 C ATOM 1043 O ASP A 63 0.390 33.965 -6.127 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.049 31.283 -6.206 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.691 30.118 -6.957 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.448 29.997 -8.146 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.412 29.362 -6.327 1.00 0.00 O ATOM 0 H ASP A 63 0.974 29.803 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 63 0.016 32.013 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.835 30.991 -5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.740 32.124 -6.162 1.00 0.00 H new ATOM 1052 N GLY A 64 1.978 32.593 -5.472 1.00 0.00 N ATOM 1053 CA GLY A 64 2.653 33.676 -4.695 1.00 0.00 C ATOM 1054 C GLY A 64 1.734 34.163 -3.566 1.00 0.00 C ATOM 1055 O GLY A 64 1.799 35.306 -3.161 1.00 0.00 O ATOM 0 H GLY A 64 2.436 31.682 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.590 33.306 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.903 34.507 -5.355 1.00 0.00 H new ATOM 1059 N ASP A 65 0.871 33.311 -3.059 1.00 0.00 N ATOM 1060 CA ASP A 65 -0.064 33.729 -1.961 1.00 0.00 C ATOM 1061 C ASP A 65 0.372 33.112 -0.630 1.00 0.00 C ATOM 1062 O ASP A 65 -0.307 33.230 0.371 1.00 0.00 O ATOM 1063 CB ASP A 65 -1.477 33.252 -2.304 1.00 0.00 C ATOM 1064 CG ASP A 65 -1.481 31.728 -2.437 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -0.405 31.160 -2.529 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.558 31.156 -2.451 1.00 0.00 O ATOM 0 H ASP A 65 0.774 32.341 -3.359 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.047 34.815 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.176 33.562 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.811 33.710 -3.235 1.00 0.00 H new ATOM 1071 N GLY A 66 1.489 32.444 -0.611 1.00 0.00 N ATOM 1072 CA GLY A 66 1.954 31.811 0.655 1.00 0.00 C ATOM 1073 C GLY A 66 1.150 30.531 0.892 1.00 0.00 C ATOM 1074 O GLY A 66 1.223 29.919 1.939 1.00 0.00 O ATOM 0 H GLY A 66 2.101 32.308 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.018 31.582 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.823 32.499 1.491 1.00 0.00 H new ATOM 1078 N GLU A 67 0.379 30.131 -0.086 1.00 0.00 N ATOM 1079 CA GLU A 67 -0.451 28.898 0.036 1.00 0.00 C ATOM 1080 C GLU A 67 -0.397 28.145 -1.299 1.00 0.00 C ATOM 1081 O GLU A 67 -0.517 28.736 -2.353 1.00 0.00 O ATOM 1082 CB GLU A 67 -1.902 29.301 0.322 1.00 0.00 C ATOM 1083 CG GLU A 67 -1.937 30.324 1.459 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.386 30.723 1.740 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.233 30.421 0.915 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.624 31.332 2.770 1.00 0.00 O ATOM 0 H GLU A 67 0.289 30.616 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.077 28.267 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.356 29.723 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.487 28.422 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.484 29.902 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.352 31.203 1.190 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.231 26.847 -1.264 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.182 26.046 -2.532 1.00 0.00 C ATOM 1095 C CYS A 68 -1.524 25.334 -2.705 1.00 0.00 C ATOM 1096 O CYS A 68 -2.016 24.691 -1.811 1.00 0.00 O ATOM 1097 CB CYS A 68 0.970 25.038 -2.448 1.00 0.00 C ATOM 1098 SG CYS A 68 0.540 23.712 -1.294 1.00 0.00 S ATOM 0 H CYS A 68 -0.126 26.302 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.008 26.691 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.174 24.622 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.880 25.539 -2.118 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.729 23.447 -1.391 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.134 25.480 -3.844 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.468 24.851 -4.079 1.00 0.00 C ATOM 1106 C ASP A 69 -3.313 23.337 -4.283 1.00 0.00 C ATOM 1107 O ASP A 69 -2.224 22.837 -4.478 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.101 25.494 -5.316 1.00 0.00 C ATOM 1109 CG ASP A 69 -5.589 25.144 -5.381 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -6.027 24.341 -4.575 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -6.269 25.698 -6.230 1.00 0.00 O ATOM 0 H ASP A 69 -1.766 26.012 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.110 25.011 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.974 26.576 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.597 25.144 -6.217 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.397 22.601 -4.220 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.311 21.121 -4.390 1.00 0.00 C ATOM 1118 C PHE A 70 -3.571 20.814 -5.694 1.00 0.00 C ATOM 1119 O PHE A 70 -2.803 19.878 -5.773 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.745 20.513 -4.372 1.00 0.00 C ATOM 1121 CG PHE A 70 -6.247 20.118 -5.743 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -5.952 18.844 -6.242 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -7.036 20.998 -6.490 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -6.441 18.452 -7.489 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -7.531 20.602 -7.739 1.00 0.00 C ATOM 1126 CZ PHE A 70 -7.232 19.328 -8.238 1.00 0.00 C ATOM 0 H PHE A 70 -5.336 22.964 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.753 20.669 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.752 19.636 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.433 21.237 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.346 18.164 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.263 21.981 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.208 17.471 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.143 21.279 -8.317 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.613 19.022 -9.201 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.786 21.597 -6.711 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.075 21.343 -7.991 1.00 0.00 C ATOM 1138 C GLN A 71 -1.574 21.631 -7.813 1.00 0.00 C ATOM 1139 O GLN A 71 -0.736 20.934 -8.353 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.662 22.227 -9.101 1.00 0.00 C ATOM 1141 CG GLN A 71 -3.733 23.680 -8.638 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.118 24.578 -9.814 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.954 24.206 -10.959 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -4.629 25.754 -9.575 1.00 0.00 N ATOM 0 H GLN A 71 -4.419 22.397 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.203 20.299 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.047 22.153 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.658 21.874 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.465 23.781 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.770 23.990 -8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.766 26.065 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.892 26.363 -10.350 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.223 22.649 -7.062 1.00 0.00 N ATOM 1154 CA GLU A 72 0.221 22.968 -6.861 1.00 0.00 C ATOM 1155 C GLU A 72 0.888 21.849 -6.058 1.00 0.00 C ATOM 1156 O GLU A 72 2.008 21.449 -6.326 1.00 0.00 O ATOM 1157 CB GLU A 72 0.332 24.279 -6.077 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.160 25.448 -6.934 1.00 0.00 C ATOM 1159 CD GLU A 72 -0.042 26.748 -6.138 1.00 0.00 C ATOM 1160 OE1 GLU A 72 1.041 27.308 -6.111 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -1.039 27.163 -5.569 1.00 0.00 O ATOM 0 H GLU A 72 -1.875 23.269 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 72 0.714 23.063 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.257 24.216 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.367 24.447 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.428 25.515 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.196 25.284 -7.232 1.00 0.00 H new ATOM 1168 N PHE A 73 0.205 21.342 -5.073 1.00 0.00 N ATOM 1169 CA PHE A 73 0.783 20.255 -4.247 1.00 0.00 C ATOM 1170 C PHE A 73 0.981 19.012 -5.104 1.00 0.00 C ATOM 1171 O PHE A 73 1.897 18.251 -4.895 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.160 19.930 -3.086 1.00 0.00 C ATOM 1173 CG PHE A 73 0.370 18.723 -2.358 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.414 18.869 -1.444 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -0.170 17.458 -2.615 1.00 0.00 C ATOM 1176 CE1 PHE A 73 1.923 17.750 -0.783 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.335 16.336 -1.951 1.00 0.00 C ATOM 1178 CZ PHE A 73 1.382 16.481 -1.036 1.00 0.00 C ATOM 0 H PHE A 73 -0.734 21.637 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 73 1.745 20.579 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.231 20.780 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.166 19.735 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.828 19.847 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.976 17.348 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.733 17.861 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.083 15.359 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.775 15.615 -0.524 1.00 0.00 H new ATOM 1188 N MET A 74 0.111 18.797 -6.046 1.00 0.00 N ATOM 1189 CA MET A 74 0.211 17.591 -6.911 1.00 0.00 C ATOM 1190 C MET A 74 1.542 17.582 -7.660 1.00 0.00 C ATOM 1191 O MET A 74 2.152 16.544 -7.850 1.00 0.00 O ATOM 1192 CB MET A 74 -0.942 17.592 -7.934 1.00 0.00 C ATOM 1193 CG MET A 74 -2.288 17.182 -7.271 1.00 0.00 C ATOM 1194 SD MET A 74 -3.055 15.837 -8.219 1.00 0.00 S ATOM 1195 CE MET A 74 -1.726 14.618 -8.025 1.00 0.00 C ATOM 0 H MET A 74 -0.675 19.412 -6.257 1.00 0.00 H new ATOM 0 HA MET A 74 0.149 16.704 -6.281 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.039 18.584 -8.375 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.710 16.904 -8.747 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.115 16.863 -6.243 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.960 18.039 -7.230 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.213 14.484 -8.977 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.016 14.970 -7.277 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.149 13.666 -7.704 1.00 0.00 H new ATOM 1205 N ALA A 75 1.988 18.709 -8.123 1.00 0.00 N ATOM 1206 CA ALA A 75 3.263 18.711 -8.892 1.00 0.00 C ATOM 1207 C ALA A 75 4.459 18.417 -7.978 1.00 0.00 C ATOM 1208 O ALA A 75 5.446 17.845 -8.402 1.00 0.00 O ATOM 1209 CB ALA A 75 3.439 20.068 -9.589 1.00 0.00 C ATOM 0 H ALA A 75 1.537 19.617 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 75 3.219 17.923 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.372 20.070 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.605 20.239 -10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.465 20.861 -8.841 1.00 0.00 H new ATOM 1215 N PHE A 76 4.393 18.802 -6.743 1.00 0.00 N ATOM 1216 CA PHE A 76 5.543 18.542 -5.824 1.00 0.00 C ATOM 1217 C PHE A 76 5.656 17.044 -5.514 1.00 0.00 C ATOM 1218 O PHE A 76 6.687 16.563 -5.095 1.00 0.00 O ATOM 1219 CB PHE A 76 5.344 19.339 -4.534 1.00 0.00 C ATOM 1220 CG PHE A 76 6.411 18.974 -3.530 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.731 19.387 -3.738 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.080 18.234 -2.387 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.721 19.063 -2.804 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.070 17.908 -1.454 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.391 18.323 -1.662 1.00 0.00 C ATOM 0 H PHE A 76 3.599 19.285 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 76 6.468 18.857 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.384 20.407 -4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.357 19.134 -4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.986 19.956 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.061 17.915 -2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.740 19.384 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.816 17.336 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.155 18.072 -0.942 1.00 0.00 H new ATOM 1235 N VAL A 77 4.603 16.309 -5.694 1.00 0.00 N ATOM 1236 CA VAL A 77 4.648 14.843 -5.395 1.00 0.00 C ATOM 1237 C VAL A 77 5.308 14.107 -6.552 1.00 0.00 C ATOM 1238 O VAL A 77 5.943 13.095 -6.364 1.00 0.00 O ATOM 1239 CB VAL A 77 3.214 14.319 -5.176 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.188 13.200 -4.124 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.352 15.483 -4.712 1.00 0.00 C ATOM 0 H VAL A 77 3.706 16.654 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 77 5.230 14.670 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 77 2.833 13.904 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.164 12.850 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.814 12.372 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.567 13.583 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.331 15.138 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.752 15.883 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.354 16.264 -5.473 1.00 0.00 H new ATOM 1251 N SER A 78 5.155 14.589 -7.751 1.00 0.00 N ATOM 1252 CA SER A 78 5.788 13.876 -8.890 1.00 0.00 C ATOM 1253 C SER A 78 7.306 14.034 -8.817 1.00 0.00 C ATOM 1254 O SER A 78 8.046 13.107 -9.082 1.00 0.00 O ATOM 1255 CB SER A 78 5.275 14.444 -10.216 1.00 0.00 C ATOM 1256 OG SER A 78 5.165 15.857 -10.109 1.00 0.00 O ATOM 0 H SER A 78 4.629 15.430 -7.989 1.00 0.00 H new ATOM 0 HA SER A 78 5.531 12.818 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.956 14.181 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.306 14.009 -10.461 1.00 0.00 H new ATOM 0 HG SER A 78 5.679 16.167 -9.335 1.00 0.00 H new ATOM 1262 N MET A 79 7.782 15.197 -8.471 1.00 0.00 N ATOM 1263 CA MET A 79 9.256 15.388 -8.402 1.00 0.00 C ATOM 1264 C MET A 79 9.846 14.629 -7.200 1.00 0.00 C ATOM 1265 O MET A 79 10.877 13.993 -7.314 1.00 0.00 O ATOM 1266 CB MET A 79 9.586 16.895 -8.342 1.00 0.00 C ATOM 1267 CG MET A 79 8.719 17.631 -7.289 1.00 0.00 C ATOM 1268 SD MET A 79 9.706 18.009 -5.815 1.00 0.00 S ATOM 1269 CE MET A 79 10.807 19.248 -6.546 1.00 0.00 C ATOM 0 H MET A 79 7.221 16.015 -8.235 1.00 0.00 H new ATOM 0 HA MET A 79 9.714 14.976 -9.301 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.641 17.027 -8.101 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.425 17.342 -9.323 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.321 18.552 -7.715 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.865 17.012 -7.014 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.833 19.053 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.743 19.196 -7.633 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.509 20.242 -6.212 1.00 0.00 H new ATOM 1279 N VAL A 80 9.205 14.654 -6.060 1.00 0.00 N ATOM 1280 CA VAL A 80 9.759 13.898 -4.892 1.00 0.00 C ATOM 1281 C VAL A 80 9.769 12.409 -5.221 1.00 0.00 C ATOM 1282 O VAL A 80 10.683 11.684 -4.880 1.00 0.00 O ATOM 1283 CB VAL A 80 8.913 14.112 -3.636 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.498 13.269 -2.493 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.932 15.587 -3.241 1.00 0.00 C ATOM 0 H VAL A 80 8.335 15.157 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 80 10.768 14.263 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 80 7.884 13.811 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.902 13.414 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.482 12.216 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.526 13.578 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.327 15.732 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.958 15.897 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.525 16.187 -4.055 1.00 0.00 H new ATOM 1295 N THR A 81 8.742 11.954 -5.875 1.00 0.00 N ATOM 1296 CA THR A 81 8.651 10.515 -6.231 1.00 0.00 C ATOM 1297 C THR A 81 9.841 10.171 -7.101 1.00 0.00 C ATOM 1298 O THR A 81 10.408 9.101 -7.020 1.00 0.00 O ATOM 1299 CB THR A 81 7.369 10.250 -7.020 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.242 10.607 -6.233 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.299 8.761 -7.389 1.00 0.00 C ATOM 0 H THR A 81 7.953 12.524 -6.181 1.00 0.00 H new ATOM 0 HA THR A 81 8.642 9.910 -5.324 1.00 0.00 H new ATOM 0 HB THR A 81 7.369 10.848 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.213 11.581 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.386 8.568 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.163 8.496 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.298 8.160 -6.479 1.00 0.00 H new ATOM 1309 N THR A 82 10.219 11.081 -7.940 1.00 0.00 N ATOM 1310 CA THR A 82 11.368 10.834 -8.831 1.00 0.00 C ATOM 1311 C THR A 82 12.556 10.383 -7.978 1.00 0.00 C ATOM 1312 O THR A 82 13.300 9.495 -8.347 1.00 0.00 O ATOM 1313 CB THR A 82 11.711 12.135 -9.551 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.521 12.718 -10.065 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.658 11.837 -10.699 1.00 0.00 C ATOM 0 H THR A 82 9.776 11.994 -8.047 1.00 0.00 H new ATOM 0 HA THR A 82 11.132 10.063 -9.564 1.00 0.00 H new ATOM 0 HB THR A 82 12.184 12.825 -8.853 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.877 12.011 -10.280 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.906 12.764 -11.216 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.570 11.384 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.180 11.149 -11.396 1.00 0.00 H new ATOM 1323 N ALA A 83 12.724 10.976 -6.826 1.00 0.00 N ATOM 1324 CA ALA A 83 13.846 10.572 -5.931 1.00 0.00 C ATOM 1325 C ALA A 83 13.678 9.099 -5.538 1.00 0.00 C ATOM 1326 O ALA A 83 14.632 8.352 -5.469 1.00 0.00 O ATOM 1327 CB ALA A 83 13.831 11.438 -4.666 1.00 0.00 C ATOM 0 H ALA A 83 12.131 11.724 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 83 14.793 10.707 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.652 11.142 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.947 12.486 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.884 11.302 -4.143 1.00 0.00 H new ATOM 1333 N CYS A 84 12.466 8.681 -5.275 1.00 0.00 N ATOM 1334 CA CYS A 84 12.224 7.261 -4.873 1.00 0.00 C ATOM 1335 C CYS A 84 12.692 6.316 -5.984 1.00 0.00 C ATOM 1336 O CYS A 84 13.247 5.268 -5.722 1.00 0.00 O ATOM 1337 CB CYS A 84 10.729 7.044 -4.629 1.00 0.00 C ATOM 1338 SG CYS A 84 10.429 5.298 -4.258 1.00 0.00 S ATOM 0 H CYS A 84 11.630 9.264 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 84 12.782 7.052 -3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.390 7.667 -3.801 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.158 7.344 -5.508 1.00 0.00 H new ATOM 0 HG CYS A 84 11.551 4.723 -3.939 1.00 0.00 H new ATOM 1344 N HIS A 85 12.475 6.675 -7.220 1.00 0.00 N ATOM 1345 CA HIS A 85 12.910 5.790 -8.342 1.00 0.00 C ATOM 1346 C HIS A 85 14.411 5.543 -8.233 1.00 0.00 C ATOM 1347 O HIS A 85 14.889 4.448 -8.458 1.00 0.00 O ATOM 1348 CB HIS A 85 12.598 6.474 -9.674 1.00 0.00 C ATOM 1349 CG HIS A 85 13.128 5.644 -10.810 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.255 6.015 -11.532 1.00 0.00 N ATOM 1351 CD2 HIS A 85 12.704 4.460 -11.360 1.00 0.00 C ATOM 1352 CE1 HIS A 85 14.467 5.071 -12.468 1.00 0.00 C ATOM 1353 NE2 HIS A 85 13.550 4.105 -12.404 1.00 0.00 N ATOM 0 H HIS A 85 12.016 7.541 -7.503 1.00 0.00 H new ATOM 0 HA HIS A 85 12.380 4.839 -8.290 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.522 6.608 -9.781 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.047 7.467 -9.697 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.820 6.851 -11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.846 3.892 -11.032 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.278 5.093 -13.181 1.00 0.00 H new ATOM 1362 N GLU A 86 15.160 6.546 -7.884 1.00 0.00 N ATOM 1363 CA GLU A 86 16.629 6.360 -7.753 1.00 0.00 C ATOM 1364 C GLU A 86 16.921 5.295 -6.695 1.00 0.00 C ATOM 1365 O GLU A 86 17.817 4.489 -6.846 1.00 0.00 O ATOM 1366 CB GLU A 86 17.281 7.678 -7.334 1.00 0.00 C ATOM 1367 CG GLU A 86 17.220 8.675 -8.491 1.00 0.00 C ATOM 1368 CD GLU A 86 17.873 9.989 -8.063 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.155 10.132 -6.885 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.093 10.827 -8.923 1.00 0.00 O ATOM 0 H GLU A 86 14.820 7.487 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 86 17.035 6.042 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.770 8.086 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.318 7.506 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.732 8.269 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.184 8.849 -8.782 1.00 0.00 H new ATOM 1377 N PHE A 87 16.187 5.292 -5.612 1.00 0.00 N ATOM 1378 CA PHE A 87 16.448 4.283 -4.537 1.00 0.00 C ATOM 1379 C PHE A 87 15.620 3.015 -4.774 1.00 0.00 C ATOM 1380 O PHE A 87 15.975 1.945 -4.321 1.00 0.00 O ATOM 1381 CB PHE A 87 16.085 4.883 -3.176 1.00 0.00 C ATOM 1382 CG PHE A 87 16.948 6.097 -2.916 1.00 0.00 C ATOM 1383 CD1 PHE A 87 18.272 5.940 -2.485 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.427 7.380 -3.116 1.00 0.00 C ATOM 1385 CE1 PHE A 87 19.072 7.066 -2.253 1.00 0.00 C ATOM 1386 CE2 PHE A 87 17.227 8.506 -2.885 1.00 0.00 C ATOM 1387 CZ PHE A 87 18.550 8.349 -2.454 1.00 0.00 C ATOM 0 H PHE A 87 15.422 5.940 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 87 17.505 4.018 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.031 5.162 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.232 4.143 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.676 4.950 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.407 7.502 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 87 20.092 6.944 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.823 9.496 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 87 19.167 9.217 -2.277 1.00 0.00 H new ATOM 1397 N PHE A 88 14.522 3.116 -5.481 1.00 0.00 N ATOM 1398 CA PHE A 88 13.678 1.904 -5.743 1.00 0.00 C ATOM 1399 C PHE A 88 14.095 1.306 -7.082 1.00 0.00 C ATOM 1400 O PHE A 88 13.519 0.351 -7.565 1.00 0.00 O ATOM 1401 CB PHE A 88 12.186 2.295 -5.768 1.00 0.00 C ATOM 1402 CG PHE A 88 11.633 2.266 -4.357 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.362 2.842 -3.310 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.407 1.641 -4.092 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.866 2.798 -2.002 1.00 0.00 C ATOM 1406 CE2 PHE A 88 9.914 1.593 -2.782 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.643 2.173 -1.738 1.00 0.00 C ATOM 0 H PHE A 88 14.172 3.983 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 88 13.822 1.168 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.067 3.290 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.629 1.606 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.309 3.321 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.842 1.196 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.428 3.247 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.971 1.108 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.261 2.138 -0.728 1.00 0.00 H new ATOM 1464 N MET B 0 -4.825 6.583 4.970 1.00 0.00 N ATOM 1465 CA MET B 0 -4.019 7.387 5.932 1.00 0.00 C ATOM 1466 C MET B 0 -2.528 7.193 5.636 1.00 0.00 C ATOM 1467 O MET B 0 -1.994 6.111 5.775 1.00 0.00 O ATOM 1468 CB MET B 0 -4.327 6.928 7.360 1.00 0.00 C ATOM 1469 CG MET B 0 -5.758 7.336 7.725 1.00 0.00 C ATOM 1470 SD MET B 0 -6.136 6.798 9.415 1.00 0.00 S ATOM 1471 CE MET B 0 -4.989 7.894 10.290 1.00 0.00 C ATOM 0 H1 MET B 0 -5.837 6.728 5.159 1.00 0.00 H new ATOM 0 H2 MET B 0 -4.608 6.884 3.999 1.00 0.00 H new ATOM 0 H3 MET B 0 -4.593 5.575 5.080 1.00 0.00 H new ATOM 0 HA MET B 0 -4.271 8.442 5.829 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.213 5.847 7.439 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.620 7.375 8.059 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.870 8.417 7.644 1.00 0.00 H new ATOM 0 HG3 MET B 0 -6.464 6.889 7.025 1.00 0.00 H new ATOM 0 HE1 MET B 0 -5.366 8.088 11.294 1.00 0.00 H new ATOM 0 HE2 MET B 0 -4.010 7.419 10.355 1.00 0.00 H new ATOM 0 HE3 MET B 0 -4.900 8.836 9.748 1.00 0.00 H new ATOM 1483 N SER B 1 -1.859 8.236 5.222 1.00 0.00 N ATOM 1484 CA SER B 1 -0.402 8.123 4.907 1.00 0.00 C ATOM 1485 C SER B 1 -0.182 6.984 3.909 1.00 0.00 C ATOM 1486 O SER B 1 0.799 6.269 3.966 1.00 0.00 O ATOM 1487 CB SER B 1 0.385 7.846 6.191 1.00 0.00 C ATOM 1488 OG SER B 1 0.166 6.503 6.600 1.00 0.00 O ATOM 0 H SER B 1 -2.259 9.165 5.088 1.00 0.00 H new ATOM 0 HA SER B 1 -0.053 9.059 4.470 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.448 8.017 6.023 1.00 0.00 H new ATOM 0 HB3 SER B 1 0.072 8.533 6.977 1.00 0.00 H new ATOM 0 HG SER B 1 -0.593 6.130 6.105 1.00 0.00 H new ATOM 1494 N GLU B 2 -1.089 6.824 2.988 1.00 0.00 N ATOM 1495 CA GLU B 2 -0.954 5.750 1.963 1.00 0.00 C ATOM 1496 C GLU B 2 0.103 6.160 0.945 1.00 0.00 C ATOM 1497 O GLU B 2 0.387 5.448 0.003 1.00 0.00 O ATOM 1498 CB GLU B 2 -2.291 5.553 1.252 1.00 0.00 C ATOM 1499 CG GLU B 2 -3.286 4.958 2.239 1.00 0.00 C ATOM 1500 CD GLU B 2 -4.649 4.799 1.565 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.773 5.205 0.421 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -5.547 4.275 2.203 1.00 0.00 O ATOM 0 H GLU B 2 -1.928 7.397 2.900 1.00 0.00 H new ATOM 0 HA GLU B 2 -0.659 4.818 2.446 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -2.660 6.505 0.871 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.169 4.892 0.394 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -2.929 3.990 2.591 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -3.375 5.603 3.113 1.00 0.00 H new ATOM 1509 N LEU B 3 0.661 7.323 1.108 1.00 0.00 N ATOM 1510 CA LEU B 3 1.671 7.804 0.129 1.00 0.00 C ATOM 1511 C LEU B 3 2.708 6.705 -0.141 1.00 0.00 C ATOM 1512 O LEU B 3 3.399 6.734 -1.129 1.00 0.00 O ATOM 1513 CB LEU B 3 2.366 9.070 0.678 1.00 0.00 C ATOM 1514 CG LEU B 3 2.601 10.076 -0.455 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.272 11.321 0.114 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.499 9.448 -1.527 1.00 0.00 C ATOM 0 H LEU B 3 0.462 7.962 1.877 1.00 0.00 H new ATOM 0 HA LEU B 3 1.172 8.050 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.751 9.523 1.456 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.316 8.801 1.139 1.00 0.00 H new ATOM 0 HG LEU B 3 1.647 10.348 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.442 12.041 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.628 11.767 0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.226 11.047 0.564 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.663 10.166 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.456 9.173 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.017 8.557 -1.930 1.00 0.00 H new ATOM 1528 N GLU B 4 2.837 5.739 0.718 1.00 0.00 N ATOM 1529 CA GLU B 4 3.846 4.669 0.450 1.00 0.00 C ATOM 1530 C GLU B 4 3.412 3.867 -0.777 1.00 0.00 C ATOM 1531 O GLU B 4 4.209 3.489 -1.610 1.00 0.00 O ATOM 1532 CB GLU B 4 3.917 3.723 1.649 1.00 0.00 C ATOM 1533 CG GLU B 4 4.558 4.435 2.838 1.00 0.00 C ATOM 1534 CD GLU B 4 4.617 3.474 4.025 1.00 0.00 C ATOM 1535 OE1 GLU B 4 4.071 2.389 3.911 1.00 0.00 O ATOM 1536 OE2 GLU B 4 5.208 3.835 5.026 1.00 0.00 O ATOM 0 H GLU B 4 2.302 5.638 1.580 1.00 0.00 H new ATOM 0 HA GLU B 4 4.821 5.126 0.278 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.916 3.383 1.914 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.496 2.837 1.390 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.561 4.773 2.578 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.981 5.322 3.101 1.00 0.00 H new ATOM 1543 N LYS B 5 2.146 3.601 -0.873 1.00 0.00 N ATOM 1544 CA LYS B 5 1.610 2.815 -2.017 1.00 0.00 C ATOM 1545 C LYS B 5 1.514 3.678 -3.274 1.00 0.00 C ATOM 1546 O LYS B 5 1.723 3.210 -4.369 1.00 0.00 O ATOM 1547 CB LYS B 5 0.217 2.321 -1.642 1.00 0.00 C ATOM 1548 CG LYS B 5 0.336 1.283 -0.526 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.060 0.831 -0.089 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.824 2.004 0.550 1.00 0.00 C ATOM 1551 NZ LYS B 5 -2.807 1.462 1.529 1.00 0.00 N ATOM 0 H LYS B 5 1.444 3.899 -0.196 1.00 0.00 H new ATOM 0 HA LYS B 5 2.279 1.980 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -0.402 3.156 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.273 1.883 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.914 0.426 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.873 1.707 0.322 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.613 0.453 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.978 0.010 0.623 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.129 2.680 1.048 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.337 2.583 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.579 2.146 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.196 0.566 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.334 1.294 2.440 1.00 0.00 H new ATOM 1565 N ALA B 6 1.138 4.919 -3.130 1.00 0.00 N ATOM 1566 CA ALA B 6 0.970 5.794 -4.329 1.00 0.00 C ATOM 1567 C ALA B 6 2.310 6.165 -4.965 1.00 0.00 C ATOM 1568 O ALA B 6 2.431 6.217 -6.169 1.00 0.00 O ATOM 1569 CB ALA B 6 0.209 7.066 -3.928 1.00 0.00 C ATOM 0 H ALA B 6 0.939 5.367 -2.235 1.00 0.00 H new ATOM 0 HA ALA B 6 0.403 5.236 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.085 7.706 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.771 6.795 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA B 6 0.772 7.601 -3.163 1.00 0.00 H new ATOM 1575 N MET B 7 3.305 6.442 -4.186 1.00 0.00 N ATOM 1576 CA MET B 7 4.619 6.819 -4.776 1.00 0.00 C ATOM 1577 C MET B 7 5.245 5.590 -5.439 1.00 0.00 C ATOM 1578 O MET B 7 5.839 5.669 -6.498 1.00 0.00 O ATOM 1579 CB MET B 7 5.542 7.374 -3.656 1.00 0.00 C ATOM 1580 CG MET B 7 5.845 8.860 -3.894 1.00 0.00 C ATOM 1581 SD MET B 7 6.541 9.600 -2.396 1.00 0.00 S ATOM 1582 CE MET B 7 6.566 11.314 -2.986 1.00 0.00 C ATOM 0 H MET B 7 3.272 6.426 -3.167 1.00 0.00 H new ATOM 0 HA MET B 7 4.486 7.592 -5.532 1.00 0.00 H new ATOM 0 HB2 MET B 7 5.063 7.246 -2.685 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.473 6.807 -3.630 1.00 0.00 H new ATOM 0 HG2 MET B 7 6.546 8.968 -4.722 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.933 9.384 -4.178 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.566 11.992 -2.133 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.463 11.481 -3.582 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.684 11.501 -3.599 1.00 0.00 H new ATOM 1592 N VAL B 8 5.118 4.460 -4.815 1.00 0.00 N ATOM 1593 CA VAL B 8 5.707 3.220 -5.387 1.00 0.00 C ATOM 1594 C VAL B 8 4.918 2.784 -6.617 1.00 0.00 C ATOM 1595 O VAL B 8 5.455 2.196 -7.529 1.00 0.00 O ATOM 1596 CB VAL B 8 5.681 2.111 -4.337 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.123 0.790 -4.973 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.638 2.477 -3.201 1.00 0.00 C ATOM 0 H VAL B 8 4.629 4.338 -3.928 1.00 0.00 H new ATOM 0 HA VAL B 8 6.738 3.417 -5.681 1.00 0.00 H new ATOM 0 HB VAL B 8 4.670 2.000 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.104 0.000 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.445 0.533 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.135 0.895 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.625 1.690 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.648 2.584 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.323 3.418 -2.749 1.00 0.00 H new ATOM 1608 N ALA B 9 3.643 3.037 -6.631 1.00 0.00 N ATOM 1609 CA ALA B 9 2.807 2.608 -7.788 1.00 0.00 C ATOM 1610 C ALA B 9 3.063 3.501 -9.000 1.00 0.00 C ATOM 1611 O ALA B 9 3.051 3.051 -10.125 1.00 0.00 O ATOM 1612 CB ALA B 9 1.334 2.691 -7.413 1.00 0.00 C ATOM 0 H ALA B 9 3.139 3.524 -5.890 1.00 0.00 H new ATOM 0 HA ALA B 9 3.072 1.581 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA B 9 0.725 2.377 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.138 2.038 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.084 3.718 -7.147 1.00 0.00 H new ATOM 1618 N LEU B 10 3.269 4.765 -8.780 1.00 0.00 N ATOM 1619 CA LEU B 10 3.502 5.695 -9.919 1.00 0.00 C ATOM 1620 C LEU B 10 4.746 5.225 -10.672 1.00 0.00 C ATOM 1621 O LEU B 10 4.782 5.170 -11.887 1.00 0.00 O ATOM 1622 CB LEU B 10 3.719 7.111 -9.346 1.00 0.00 C ATOM 1623 CG LEU B 10 3.309 8.188 -10.363 1.00 0.00 C ATOM 1624 CD1 LEU B 10 4.103 8.005 -11.665 1.00 0.00 C ATOM 1625 CD2 LEU B 10 1.787 8.118 -10.642 1.00 0.00 C ATOM 0 H LEU B 10 3.287 5.198 -7.857 1.00 0.00 H new ATOM 0 HA LEU B 10 2.654 5.710 -10.603 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.138 7.230 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.767 7.241 -9.077 1.00 0.00 H new ATOM 0 HG LEU B 10 3.535 9.170 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.808 8.771 -12.382 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.169 8.094 -11.457 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.896 7.019 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.514 8.887 -11.364 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.536 7.137 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.239 8.281 -9.714 1.00 0.00 H new ATOM 1637 N ILE B 11 5.754 4.863 -9.940 1.00 0.00 N ATOM 1638 CA ILE B 11 7.006 4.365 -10.561 1.00 0.00 C ATOM 1639 C ILE B 11 6.770 2.986 -11.201 1.00 0.00 C ATOM 1640 O ILE B 11 7.322 2.673 -12.236 1.00 0.00 O ATOM 1641 CB ILE B 11 8.096 4.278 -9.480 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.510 5.698 -9.061 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.307 3.519 -10.019 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.406 5.646 -7.815 1.00 0.00 C ATOM 0 H ILE B 11 5.764 4.891 -8.920 1.00 0.00 H new ATOM 0 HA ILE B 11 7.326 5.051 -11.345 1.00 0.00 H new ATOM 0 HB ILE B 11 7.705 3.744 -8.614 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.041 6.186 -9.879 1.00 0.00 H new ATOM 0 HG13 ILE B 11 7.623 6.297 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.074 3.462 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.006 2.512 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE B 11 9.706 4.041 -10.889 1.00 0.00 H new ATOM 0 HD11 ILE B 11 9.692 6.658 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE B 11 8.862 5.178 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.302 5.065 -8.035 1.00 0.00 H new ATOM 1656 N ASP B 12 5.990 2.145 -10.570 1.00 0.00 N ATOM 1657 CA ASP B 12 5.759 0.768 -11.114 1.00 0.00 C ATOM 1658 C ASP B 12 5.126 0.791 -12.515 1.00 0.00 C ATOM 1659 O ASP B 12 5.511 0.035 -13.385 1.00 0.00 O ATOM 1660 CB ASP B 12 4.819 0.017 -10.171 1.00 0.00 C ATOM 1661 CG ASP B 12 5.547 -0.291 -8.860 1.00 0.00 C ATOM 1662 OD1 ASP B 12 6.767 -0.325 -8.876 1.00 0.00 O ATOM 1663 OD2 ASP B 12 4.873 -0.486 -7.862 1.00 0.00 O ATOM 0 H ASP B 12 5.501 2.351 -9.699 1.00 0.00 H new ATOM 0 HA ASP B 12 6.729 0.276 -11.190 1.00 0.00 H new ATOM 0 HB2 ASP B 12 3.930 0.616 -9.973 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.482 -0.908 -10.638 1.00 0.00 H new ATOM 1668 N VAL B 13 4.144 1.620 -12.738 1.00 0.00 N ATOM 1669 CA VAL B 13 3.483 1.642 -14.077 1.00 0.00 C ATOM 1670 C VAL B 13 4.466 2.167 -15.125 1.00 0.00 C ATOM 1671 O VAL B 13 4.534 1.677 -16.241 1.00 0.00 O ATOM 1672 CB VAL B 13 2.183 2.500 -14.004 1.00 0.00 C ATOM 1673 CG1 VAL B 13 2.336 3.850 -14.724 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.020 1.726 -14.636 1.00 0.00 C ATOM 0 H VAL B 13 3.771 2.281 -12.056 1.00 0.00 H new ATOM 0 HA VAL B 13 3.194 0.634 -14.373 1.00 0.00 H new ATOM 0 HB VAL B 13 1.985 2.701 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.405 4.412 -14.646 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.143 4.419 -14.262 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.569 3.678 -15.775 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.112 2.327 -14.584 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.252 1.508 -15.679 1.00 0.00 H new ATOM 0 HG23 VAL B 13 0.868 0.792 -14.095 1.00 0.00 H new ATOM 1684 N PHE B 14 5.230 3.155 -14.776 1.00 0.00 N ATOM 1685 CA PHE B 14 6.201 3.699 -15.751 1.00 0.00 C ATOM 1686 C PHE B 14 7.139 2.576 -16.187 1.00 0.00 C ATOM 1687 O PHE B 14 7.498 2.479 -17.330 1.00 0.00 O ATOM 1688 CB PHE B 14 7.005 4.829 -15.089 1.00 0.00 C ATOM 1689 CG PHE B 14 8.214 5.167 -15.933 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.388 4.420 -15.785 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.163 6.214 -16.858 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.511 4.718 -16.562 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.286 6.513 -17.635 1.00 0.00 C ATOM 1694 CZ PHE B 14 10.460 5.762 -17.487 1.00 0.00 C ATOM 0 H PHE B 14 5.224 3.608 -13.862 1.00 0.00 H new ATOM 0 HA PHE B 14 5.680 4.097 -16.622 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.377 5.712 -14.969 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.321 4.525 -14.091 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.426 3.612 -15.069 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.257 6.791 -16.972 1.00 0.00 H new ATOM 0 HE1 PHE B 14 11.417 4.141 -16.447 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.249 7.322 -18.349 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.326 5.991 -18.090 1.00 0.00 H new ATOM 1704 N HIS B 15 7.545 1.739 -15.281 1.00 0.00 N ATOM 1705 CA HIS B 15 8.471 0.629 -15.645 1.00 0.00 C ATOM 1706 C HIS B 15 7.845 -0.292 -16.698 1.00 0.00 C ATOM 1707 O HIS B 15 8.529 -0.813 -17.555 1.00 0.00 O ATOM 1708 CB HIS B 15 8.815 -0.184 -14.395 1.00 0.00 C ATOM 1709 CG HIS B 15 9.764 -1.293 -14.761 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.088 -1.052 -15.106 1.00 0.00 N ATOM 1711 CD2 HIS B 15 9.597 -2.653 -14.842 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.660 -2.241 -15.375 1.00 0.00 C ATOM 1713 NE2 HIS B 15 10.794 -3.245 -15.230 1.00 0.00 N ATOM 0 H HIS B 15 7.276 1.773 -14.298 1.00 0.00 H new ATOM 0 HA HIS B 15 9.377 1.065 -16.066 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.267 0.461 -13.642 1.00 0.00 H new ATOM 0 HB3 HIS B 15 7.907 -0.598 -13.957 1.00 0.00 H new ATOM 0 HD2 HIS B 15 8.678 -3.182 -14.636 1.00 0.00 H new ATOM 0 HE1 HIS B 15 12.691 -2.366 -15.671 1.00 0.00 H new ATOM 0 HE2 HIS B 15 10.972 -4.239 -15.374 1.00 0.00 H new ATOM 1722 N GLN B 16 6.566 -0.533 -16.628 1.00 0.00 N ATOM 1723 CA GLN B 16 5.937 -1.460 -17.611 1.00 0.00 C ATOM 1724 C GLN B 16 6.120 -0.948 -19.043 1.00 0.00 C ATOM 1725 O GLN B 16 6.360 -1.718 -19.952 1.00 0.00 O ATOM 1726 CB GLN B 16 4.439 -1.561 -17.318 1.00 0.00 C ATOM 1727 CG GLN B 16 4.220 -2.289 -15.990 1.00 0.00 C ATOM 1728 CD GLN B 16 4.590 -3.766 -16.151 1.00 0.00 C ATOM 1729 OE1 GLN B 16 4.256 -4.381 -17.144 1.00 0.00 O ATOM 1730 NE2 GLN B 16 5.271 -4.366 -15.212 1.00 0.00 N ATOM 0 H GLN B 16 5.932 -0.131 -15.938 1.00 0.00 H new ATOM 0 HA GLN B 16 6.416 -2.435 -17.519 1.00 0.00 H new ATOM 0 HB2 GLN B 16 3.999 -0.565 -17.274 1.00 0.00 H new ATOM 0 HB3 GLN B 16 3.936 -2.096 -18.124 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.829 -1.834 -15.209 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.180 -2.195 -15.679 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.552 -3.851 -14.378 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.522 -5.350 -15.313 1.00 0.00 H new ATOM 1739 N TYR B 17 5.988 0.333 -19.269 1.00 0.00 N ATOM 1740 CA TYR B 17 6.135 0.855 -20.670 1.00 0.00 C ATOM 1741 C TYR B 17 7.594 1.162 -21.014 1.00 0.00 C ATOM 1742 O TYR B 17 8.013 1.006 -22.139 1.00 0.00 O ATOM 1743 CB TYR B 17 5.285 2.121 -20.818 1.00 0.00 C ATOM 1744 CG TYR B 17 3.850 1.714 -21.032 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.028 1.443 -19.936 1.00 0.00 C ATOM 1746 CD2 TYR B 17 3.357 1.583 -22.331 1.00 0.00 C ATOM 1747 CE1 TYR B 17 1.706 1.047 -20.140 1.00 0.00 C ATOM 1748 CE2 TYR B 17 2.037 1.183 -22.538 1.00 0.00 C ATOM 1749 CZ TYR B 17 1.207 0.915 -21.442 1.00 0.00 C ATOM 1750 OH TYR B 17 -0.097 0.517 -21.643 1.00 0.00 O ATOM 0 H TYR B 17 5.787 1.036 -18.558 1.00 0.00 H new ATOM 0 HA TYR B 17 5.794 0.085 -21.362 1.00 0.00 H new ATOM 0 HB2 TYR B 17 5.373 2.742 -19.927 1.00 0.00 H new ATOM 0 HB3 TYR B 17 5.638 2.718 -21.659 1.00 0.00 H new ATOM 0 HD1 TYR B 17 3.415 1.540 -18.932 1.00 0.00 H new ATOM 0 HD2 TYR B 17 3.997 1.791 -23.175 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.067 0.842 -19.294 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.655 1.080 -23.543 1.00 0.00 H new ATOM 0 HH TYR B 17 -0.597 0.598 -20.804 1.00 0.00 H new ATOM 1760 N SER B 18 8.360 1.615 -20.075 1.00 0.00 N ATOM 1761 CA SER B 18 9.778 1.949 -20.373 1.00 0.00 C ATOM 1762 C SER B 18 10.508 0.703 -20.875 1.00 0.00 C ATOM 1763 O SER B 18 11.308 0.765 -21.786 1.00 0.00 O ATOM 1764 CB SER B 18 10.446 2.478 -19.107 1.00 0.00 C ATOM 1765 OG SER B 18 11.605 3.210 -19.470 1.00 0.00 O ATOM 0 H SER B 18 8.070 1.771 -19.110 1.00 0.00 H new ATOM 0 HA SER B 18 9.820 2.714 -21.148 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.755 3.115 -18.555 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.713 1.652 -18.448 1.00 0.00 H new ATOM 0 HG SER B 18 12.383 2.847 -18.996 1.00 0.00 H new ATOM 1771 N GLY B 19 10.237 -0.427 -20.290 1.00 0.00 N ATOM 1772 CA GLY B 19 10.915 -1.675 -20.735 1.00 0.00 C ATOM 1773 C GLY B 19 10.326 -2.135 -22.072 1.00 0.00 C ATOM 1774 O GLY B 19 10.810 -3.065 -22.685 1.00 0.00 O ATOM 0 H GLY B 19 9.575 -0.542 -19.522 1.00 0.00 H new ATOM 0 HA2 GLY B 19 11.986 -1.501 -20.839 1.00 0.00 H new ATOM 0 HA3 GLY B 19 10.790 -2.455 -19.984 1.00 0.00 H new ATOM 1778 N ARG B 20 9.284 -1.492 -22.533 1.00 0.00 N ATOM 1779 CA ARG B 20 8.674 -1.899 -23.833 1.00 0.00 C ATOM 1780 C ARG B 20 9.710 -1.766 -24.948 1.00 0.00 C ATOM 1781 O ARG B 20 9.861 -2.641 -25.776 1.00 0.00 O ATOM 1782 CB ARG B 20 7.489 -0.985 -24.152 1.00 0.00 C ATOM 1783 CG ARG B 20 6.828 -1.424 -25.463 1.00 0.00 C ATOM 1784 CD ARG B 20 5.652 -0.498 -25.755 1.00 0.00 C ATOM 1785 NE ARG B 20 4.855 -1.033 -26.913 1.00 0.00 N ATOM 1786 CZ ARG B 20 5.394 -1.229 -28.088 1.00 0.00 C ATOM 1787 NH1 ARG B 20 6.601 -0.805 -28.344 1.00 0.00 N ATOM 1788 NH2 ARG B 20 4.703 -1.815 -29.029 1.00 0.00 N ATOM 0 H ARG B 20 8.831 -0.706 -22.067 1.00 0.00 H new ATOM 0 HA ARG B 20 8.337 -2.933 -23.760 1.00 0.00 H new ATOM 0 HB2 ARG B 20 6.763 -1.020 -23.340 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.827 0.048 -24.234 1.00 0.00 H new ATOM 0 HG2 ARG B 20 7.549 -1.387 -26.280 1.00 0.00 H new ATOM 0 HG3 ARG B 20 6.486 -2.456 -25.386 1.00 0.00 H new ATOM 0 HD2 ARG B 20 5.017 -0.413 -24.873 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.015 0.504 -25.984 1.00 0.00 H new ATOM 0 HE ARG B 20 3.867 -1.249 -26.778 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.133 -0.316 -27.624 1.00 0.00 H new ATOM 0 HH12 ARG B 20 7.013 -0.963 -29.264 1.00 0.00 H new ATOM 0 HH21 ARG B 20 3.746 -2.118 -28.846 1.00 0.00 H new ATOM 0 HH22 ARG B 20 5.120 -1.970 -29.947 1.00 0.00 H new ATOM 1802 N GLU B 21 10.404 -0.655 -24.984 1.00 0.00 N ATOM 1803 CA GLU B 21 11.421 -0.418 -26.057 1.00 0.00 C ATOM 1804 C GLU B 21 12.819 -0.339 -25.446 1.00 0.00 C ATOM 1805 O GLU B 21 12.988 -0.097 -24.268 1.00 0.00 O ATOM 1806 CB GLU B 21 11.099 0.904 -26.755 1.00 0.00 C ATOM 1807 CG GLU B 21 9.747 0.789 -27.462 1.00 0.00 C ATOM 1808 CD GLU B 21 9.866 -0.187 -28.634 1.00 0.00 C ATOM 1809 OE1 GLU B 21 10.702 0.046 -29.491 1.00 0.00 O ATOM 1810 OE2 GLU B 21 9.121 -1.154 -28.652 1.00 0.00 O ATOM 0 H GLU B 21 10.309 0.105 -24.310 1.00 0.00 H new ATOM 0 HA GLU B 21 11.394 -1.240 -26.773 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.074 1.715 -26.028 1.00 0.00 H new ATOM 0 HB3 GLU B 21 11.879 1.147 -27.476 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.987 0.442 -26.762 1.00 0.00 H new ATOM 0 HG3 GLU B 21 9.428 1.768 -27.821 1.00 0.00 H new ATOM 1817 N GLY B 22 13.823 -0.550 -26.250 1.00 0.00 N ATOM 1818 CA GLY B 22 15.222 -0.500 -25.745 1.00 0.00 C ATOM 1819 C GLY B 22 15.435 0.749 -24.885 1.00 0.00 C ATOM 1820 O GLY B 22 16.377 0.824 -24.121 1.00 0.00 O ATOM 0 H GLY B 22 13.733 -0.757 -27.245 1.00 0.00 H new ATOM 0 HA2 GLY B 22 15.436 -1.394 -25.159 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.918 -0.495 -26.584 1.00 0.00 H new ATOM 1824 N ASP B 23 14.587 1.737 -25.003 1.00 0.00 N ATOM 1825 CA ASP B 23 14.778 2.971 -24.190 1.00 0.00 C ATOM 1826 C ASP B 23 14.266 2.745 -22.764 1.00 0.00 C ATOM 1827 O ASP B 23 13.387 3.435 -22.293 1.00 0.00 O ATOM 1828 CB ASP B 23 14.006 4.121 -24.839 1.00 0.00 C ATOM 1829 CG ASP B 23 14.203 4.068 -26.354 1.00 0.00 C ATOM 1830 OD1 ASP B 23 15.342 4.130 -26.785 1.00 0.00 O ATOM 1831 OD2 ASP B 23 13.212 3.962 -27.055 1.00 0.00 O ATOM 0 H ASP B 23 13.777 1.742 -25.623 1.00 0.00 H new ATOM 0 HA ASP B 23 15.839 3.217 -24.147 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.946 4.046 -24.595 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.356 5.076 -24.448 1.00 0.00 H new ATOM 1836 N LYS B 24 14.812 1.786 -22.069 1.00 0.00 N ATOM 1837 CA LYS B 24 14.359 1.530 -20.671 1.00 0.00 C ATOM 1838 C LYS B 24 14.640 2.767 -19.810 1.00 0.00 C ATOM 1839 O LYS B 24 13.862 3.134 -18.954 1.00 0.00 O ATOM 1840 CB LYS B 24 15.121 0.330 -20.099 1.00 0.00 C ATOM 1841 CG LYS B 24 14.534 -0.050 -18.734 1.00 0.00 C ATOM 1842 CD LYS B 24 15.428 -1.093 -18.054 1.00 0.00 C ATOM 1843 CE LYS B 24 15.518 -2.353 -18.922 1.00 0.00 C ATOM 1844 NZ LYS B 24 15.951 -3.508 -18.082 1.00 0.00 N ATOM 0 H LYS B 24 15.551 1.169 -22.407 1.00 0.00 H new ATOM 0 HA LYS B 24 13.290 1.318 -20.669 1.00 0.00 H new ATOM 0 HB2 LYS B 24 15.054 -0.516 -20.783 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.178 0.573 -19.996 1.00 0.00 H new ATOM 0 HG2 LYS B 24 14.451 0.836 -18.105 1.00 0.00 H new ATOM 0 HG3 LYS B 24 13.527 -0.448 -18.859 1.00 0.00 H new ATOM 0 HD2 LYS B 24 16.424 -0.681 -17.893 1.00 0.00 H new ATOM 0 HD3 LYS B 24 15.025 -1.345 -17.073 1.00 0.00 H new ATOM 0 HE2 LYS B 24 14.550 -2.564 -19.377 1.00 0.00 H new ATOM 0 HE3 LYS B 24 16.226 -2.197 -19.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 16.012 -4.363 -18.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 16.883 -3.306 -17.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 15.260 -3.662 -17.320 1.00 0.00 H new ATOM 1858 N HIS B 25 15.765 3.394 -20.010 1.00 0.00 N ATOM 1859 CA HIS B 25 16.118 4.591 -19.190 1.00 0.00 C ATOM 1860 C HIS B 25 15.401 5.852 -19.700 1.00 0.00 C ATOM 1861 O HIS B 25 15.327 6.841 -18.998 1.00 0.00 O ATOM 1862 CB HIS B 25 17.629 4.816 -19.259 1.00 0.00 C ATOM 1863 CG HIS B 25 18.343 3.737 -18.490 1.00 0.00 C ATOM 1864 ND1 HIS B 25 18.715 3.891 -17.160 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.765 2.482 -18.853 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.330 2.757 -16.776 1.00 0.00 C ATOM 1867 NE2 HIS B 25 19.386 1.869 -17.770 1.00 0.00 N ATOM 0 H HIS B 25 16.460 3.129 -20.709 1.00 0.00 H new ATOM 0 HA HIS B 25 15.802 4.407 -18.163 1.00 0.00 H new ATOM 0 HB2 HIS B 25 17.959 4.813 -20.298 1.00 0.00 H new ATOM 0 HB3 HIS B 25 17.879 5.794 -18.848 1.00 0.00 H new ATOM 0 HD2 HIS B 25 18.635 2.039 -19.829 1.00 0.00 H new ATOM 0 HE1 HIS B 25 19.728 2.587 -15.787 1.00 0.00 H new ATOM 0 HE2 HIS B 25 19.798 0.936 -17.742 1.00 0.00 H new ATOM 1876 N LYS B 26 14.898 5.850 -20.915 1.00 0.00 N ATOM 1877 CA LYS B 26 14.221 7.084 -21.450 1.00 0.00 C ATOM 1878 C LYS B 26 12.975 6.721 -22.268 1.00 0.00 C ATOM 1879 O LYS B 26 12.855 5.641 -22.803 1.00 0.00 O ATOM 1880 CB LYS B 26 15.208 7.835 -22.347 1.00 0.00 C ATOM 1881 CG LYS B 26 16.346 8.400 -21.492 1.00 0.00 C ATOM 1882 CD LYS B 26 17.338 9.153 -22.383 1.00 0.00 C ATOM 1883 CE LYS B 26 18.472 9.715 -21.523 1.00 0.00 C ATOM 1884 NZ LYS B 26 19.460 10.407 -22.398 1.00 0.00 N ATOM 0 H LYS B 26 14.925 5.057 -21.556 1.00 0.00 H new ATOM 0 HA LYS B 26 13.911 7.706 -20.610 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.608 7.164 -23.107 1.00 0.00 H new ATOM 0 HB3 LYS B 26 14.697 8.643 -22.872 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.944 9.070 -20.732 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.855 7.592 -20.967 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.741 8.484 -23.143 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.830 9.962 -22.908 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.073 10.411 -20.785 1.00 0.00 H new ATOM 0 HE3 LYS B 26 18.959 8.910 -20.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 20.232 10.790 -21.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 19.848 9.730 -23.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.990 11.184 -22.905 1.00 0.00 H new ATOM 1898 N LEU B 27 12.051 7.643 -22.374 1.00 0.00 N ATOM 1899 CA LEU B 27 10.799 7.406 -23.166 1.00 0.00 C ATOM 1900 C LEU B 27 10.876 8.234 -24.449 1.00 0.00 C ATOM 1901 O LEU B 27 11.171 9.409 -24.414 1.00 0.00 O ATOM 1902 CB LEU B 27 9.571 7.872 -22.349 1.00 0.00 C ATOM 1903 CG LEU B 27 9.034 6.754 -21.440 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.325 5.667 -22.262 1.00 0.00 C ATOM 1905 CD2 LEU B 27 10.177 6.136 -20.636 1.00 0.00 C ATOM 0 H LEU B 27 12.110 8.564 -21.940 1.00 0.00 H new ATOM 0 HA LEU B 27 10.703 6.345 -23.396 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.844 8.735 -21.742 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.784 8.197 -23.029 1.00 0.00 H new ATOM 0 HG LEU B 27 8.309 7.193 -20.755 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.955 4.889 -21.594 1.00 0.00 H new ATOM 0 HD12 LEU B 27 7.488 6.108 -22.804 1.00 0.00 H new ATOM 0 HD13 LEU B 27 9.028 5.232 -22.972 1.00 0.00 H new ATOM 0 HD21 LEU B 27 9.786 5.345 -19.996 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.917 5.717 -21.318 1.00 0.00 H new ATOM 0 HD23 LEU B 27 10.645 6.904 -20.020 1.00 0.00 H new ATOM 1917 N LYS B 28 10.590 7.640 -25.578 1.00 0.00 N ATOM 1918 CA LYS B 28 10.618 8.404 -26.855 1.00 0.00 C ATOM 1919 C LYS B 28 9.177 8.703 -27.245 1.00 0.00 C ATOM 1920 O LYS B 28 8.282 7.951 -26.916 1.00 0.00 O ATOM 1921 CB LYS B 28 11.275 7.556 -27.948 1.00 0.00 C ATOM 1922 CG LYS B 28 12.707 7.212 -27.538 1.00 0.00 C ATOM 1923 CD LYS B 28 13.368 6.362 -28.632 1.00 0.00 C ATOM 1924 CE LYS B 28 13.460 7.161 -29.945 1.00 0.00 C ATOM 1925 NZ LYS B 28 12.233 6.922 -30.756 1.00 0.00 N ATOM 0 H LYS B 28 10.338 6.656 -25.668 1.00 0.00 H new ATOM 0 HA LYS B 28 11.186 9.327 -26.736 1.00 0.00 H new ATOM 0 HB2 LYS B 28 10.702 6.642 -28.107 1.00 0.00 H new ATOM 0 HB3 LYS B 28 11.277 8.100 -28.893 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.279 8.126 -27.378 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.704 6.668 -26.593 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.365 6.057 -28.313 1.00 0.00 H new ATOM 0 HD3 LYS B 28 12.792 5.451 -28.792 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.566 8.224 -29.730 1.00 0.00 H new ATOM 0 HE3 LYS B 28 14.345 6.860 -30.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.497 6.502 -31.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.601 6.272 -30.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.743 7.825 -30.918 1.00 0.00 H new ATOM 1939 N LYS B 29 8.935 9.790 -27.934 1.00 0.00 N ATOM 1940 CA LYS B 29 7.536 10.124 -28.337 1.00 0.00 C ATOM 1941 C LYS B 29 6.837 8.850 -28.820 1.00 0.00 C ATOM 1942 O LYS B 29 5.633 8.711 -28.746 1.00 0.00 O ATOM 1943 CB LYS B 29 7.568 11.153 -29.475 1.00 0.00 C ATOM 1944 CG LYS B 29 8.092 10.511 -30.766 1.00 0.00 C ATOM 1945 CD LYS B 29 8.301 11.599 -31.817 1.00 0.00 C ATOM 1946 CE LYS B 29 8.639 10.952 -33.162 1.00 0.00 C ATOM 1947 NZ LYS B 29 7.516 10.069 -33.588 1.00 0.00 N ATOM 0 H LYS B 29 9.644 10.459 -28.234 1.00 0.00 H new ATOM 0 HA LYS B 29 6.995 10.540 -27.487 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.567 11.552 -29.641 1.00 0.00 H new ATOM 0 HB3 LYS B 29 8.204 11.993 -29.196 1.00 0.00 H new ATOM 0 HG2 LYS B 29 9.030 9.990 -30.573 1.00 0.00 H new ATOM 0 HG3 LYS B 29 7.383 9.767 -31.131 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.401 12.207 -31.910 1.00 0.00 H new ATOM 0 HD3 LYS B 29 9.106 12.266 -31.510 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.815 11.722 -33.913 1.00 0.00 H new ATOM 0 HE3 LYS B 29 9.559 10.373 -33.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.505 9.998 -34.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.644 9.122 -33.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.615 10.470 -33.258 1.00 0.00 H new ATOM 1961 N SER B 30 7.611 7.920 -29.307 1.00 0.00 N ATOM 1962 CA SER B 30 7.028 6.635 -29.798 1.00 0.00 C ATOM 1963 C SER B 30 6.645 5.763 -28.602 1.00 0.00 C ATOM 1964 O SER B 30 5.543 5.258 -28.509 1.00 0.00 O ATOM 1965 CB SER B 30 8.055 5.896 -30.658 1.00 0.00 C ATOM 1966 OG SER B 30 7.485 4.678 -31.123 1.00 0.00 O ATOM 0 H SER B 30 8.625 7.993 -29.387 1.00 0.00 H new ATOM 0 HA SER B 30 6.142 6.846 -30.397 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.355 6.517 -31.502 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.955 5.692 -30.077 1.00 0.00 H new ATOM 0 HG SER B 30 8.139 4.201 -31.676 1.00 0.00 H new ATOM 1972 N GLU B 31 7.544 5.587 -27.678 1.00 0.00 N ATOM 1973 CA GLU B 31 7.222 4.759 -26.491 1.00 0.00 C ATOM 1974 C GLU B 31 6.177 5.514 -25.664 1.00 0.00 C ATOM 1975 O GLU B 31 5.309 4.931 -25.046 1.00 0.00 O ATOM 1976 CB GLU B 31 8.503 4.520 -25.683 1.00 0.00 C ATOM 1977 CG GLU B 31 8.320 3.327 -24.743 1.00 0.00 C ATOM 1978 CD GLU B 31 9.676 2.956 -24.138 1.00 0.00 C ATOM 1979 OE1 GLU B 31 10.643 3.631 -24.448 1.00 0.00 O ATOM 1980 OE2 GLU B 31 9.724 2.008 -23.375 1.00 0.00 O ATOM 0 H GLU B 31 8.485 5.980 -27.695 1.00 0.00 H new ATOM 0 HA GLU B 31 6.820 3.788 -26.780 1.00 0.00 H new ATOM 0 HB2 GLU B 31 9.338 4.335 -26.358 1.00 0.00 H new ATOM 0 HB3 GLU B 31 8.750 5.412 -25.107 1.00 0.00 H new ATOM 0 HG2 GLU B 31 7.611 3.575 -23.953 1.00 0.00 H new ATOM 0 HG3 GLU B 31 7.906 2.479 -25.288 1.00 0.00 H new ATOM 1987 N LEU B 32 6.249 6.820 -25.679 1.00 0.00 N ATOM 1988 CA LEU B 32 5.260 7.652 -24.930 1.00 0.00 C ATOM 1989 C LEU B 32 3.855 7.358 -25.465 1.00 0.00 C ATOM 1990 O LEU B 32 2.902 7.300 -24.725 1.00 0.00 O ATOM 1991 CB LEU B 32 5.584 9.135 -25.133 1.00 0.00 C ATOM 1992 CG LEU B 32 4.581 10.017 -24.374 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.634 9.720 -22.867 1.00 0.00 C ATOM 1994 CD2 LEU B 32 4.934 11.486 -24.620 1.00 0.00 C ATOM 0 H LEU B 32 6.959 7.351 -26.184 1.00 0.00 H new ATOM 0 HA LEU B 32 5.307 7.415 -23.867 1.00 0.00 H new ATOM 0 HB2 LEU B 32 6.596 9.343 -24.784 1.00 0.00 H new ATOM 0 HB3 LEU B 32 5.557 9.376 -26.196 1.00 0.00 H new ATOM 0 HG LEU B 32 3.573 9.806 -24.732 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.917 10.354 -22.346 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.386 8.673 -22.694 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.637 9.922 -22.491 1.00 0.00 H new ATOM 0 HD21 LEU B 32 4.229 12.124 -24.087 1.00 0.00 H new ATOM 0 HD22 LEU B 32 5.944 11.682 -24.261 1.00 0.00 H new ATOM 0 HD23 LEU B 32 4.880 11.699 -25.688 1.00 0.00 H new ATOM 2006 N LYS B 33 3.733 7.177 -26.752 1.00 0.00 N ATOM 2007 CA LYS B 33 2.397 6.883 -27.369 1.00 0.00 C ATOM 2008 C LYS B 33 1.819 5.617 -26.736 1.00 0.00 C ATOM 2009 O LYS B 33 0.632 5.519 -26.496 1.00 0.00 O ATOM 2010 CB LYS B 33 2.595 6.654 -28.887 1.00 0.00 C ATOM 2011 CG LYS B 33 1.323 6.103 -29.575 1.00 0.00 C ATOM 2012 CD LYS B 33 0.227 7.172 -29.645 1.00 0.00 C ATOM 2013 CE LYS B 33 -0.996 6.624 -30.409 1.00 0.00 C ATOM 2014 NZ LYS B 33 -1.052 5.139 -30.286 1.00 0.00 N ATOM 0 H LYS B 33 4.508 7.220 -27.414 1.00 0.00 H new ATOM 0 HA LYS B 33 1.714 7.716 -27.203 1.00 0.00 H new ATOM 0 HB2 LYS B 33 2.881 7.594 -29.359 1.00 0.00 H new ATOM 0 HB3 LYS B 33 3.418 5.957 -29.041 1.00 0.00 H new ATOM 0 HG2 LYS B 33 1.568 5.763 -30.581 1.00 0.00 H new ATOM 0 HG3 LYS B 33 0.955 5.236 -29.026 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -0.066 7.470 -28.639 1.00 0.00 H new ATOM 0 HD3 LYS B 33 0.608 8.063 -30.143 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -1.910 7.065 -30.012 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -0.936 6.908 -31.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -2.008 4.807 -30.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -0.362 4.711 -30.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -0.825 4.863 -29.309 1.00 0.00 H new ATOM 2028 N GLU B 34 2.640 4.638 -26.492 1.00 0.00 N ATOM 2029 CA GLU B 34 2.130 3.374 -25.907 1.00 0.00 C ATOM 2030 C GLU B 34 1.671 3.614 -24.469 1.00 0.00 C ATOM 2031 O GLU B 34 0.668 3.097 -24.040 1.00 0.00 O ATOM 2032 CB GLU B 34 3.231 2.311 -25.947 1.00 0.00 C ATOM 2033 CG GLU B 34 3.592 2.003 -27.404 1.00 0.00 C ATOM 2034 CD GLU B 34 2.401 1.341 -28.101 1.00 0.00 C ATOM 2035 OE1 GLU B 34 1.580 0.765 -27.407 1.00 0.00 O ATOM 2036 OE2 GLU B 34 2.330 1.424 -29.316 1.00 0.00 O ATOM 0 H GLU B 34 3.644 4.660 -26.673 1.00 0.00 H new ATOM 0 HA GLU B 34 1.278 3.022 -26.488 1.00 0.00 H new ATOM 0 HB2 GLU B 34 4.111 2.664 -25.410 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.894 1.404 -25.445 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.865 2.922 -27.923 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.460 1.345 -27.443 1.00 0.00 H new ATOM 2043 N LEU B 35 2.385 4.394 -23.715 1.00 0.00 N ATOM 2044 CA LEU B 35 1.942 4.643 -22.314 1.00 0.00 C ATOM 2045 C LEU B 35 0.554 5.282 -22.352 1.00 0.00 C ATOM 2046 O LEU B 35 -0.356 4.877 -21.660 1.00 0.00 O ATOM 2047 CB LEU B 35 2.941 5.614 -21.639 1.00 0.00 C ATOM 2048 CG LEU B 35 2.514 5.994 -20.194 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.282 6.930 -20.186 1.00 0.00 C ATOM 2050 CD2 LEU B 35 2.212 4.732 -19.386 1.00 0.00 C ATOM 0 H LEU B 35 3.244 4.865 -23.998 1.00 0.00 H new ATOM 0 HA LEU B 35 1.905 3.710 -21.752 1.00 0.00 H new ATOM 0 HB2 LEU B 35 3.929 5.155 -21.614 1.00 0.00 H new ATOM 0 HB3 LEU B 35 3.026 6.519 -22.240 1.00 0.00 H new ATOM 0 HG LEU B 35 3.345 6.531 -19.736 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.016 7.172 -19.157 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.519 7.847 -20.725 1.00 0.00 H new ATOM 0 HD13 LEU B 35 0.443 6.431 -20.670 1.00 0.00 H new ATOM 0 HD21 LEU B 35 1.914 5.010 -18.375 1.00 0.00 H new ATOM 0 HD22 LEU B 35 1.403 4.179 -19.864 1.00 0.00 H new ATOM 0 HD23 LEU B 35 3.103 4.106 -19.342 1.00 0.00 H new ATOM 2062 N ILE B 36 0.408 6.306 -23.137 1.00 0.00 N ATOM 2063 CA ILE B 36 -0.886 7.039 -23.214 1.00 0.00 C ATOM 2064 C ILE B 36 -1.954 6.265 -24.000 1.00 0.00 C ATOM 2065 O ILE B 36 -3.099 6.194 -23.597 1.00 0.00 O ATOM 2066 CB ILE B 36 -0.631 8.379 -23.910 1.00 0.00 C ATOM 2067 CG1 ILE B 36 0.542 9.099 -23.238 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.869 9.260 -23.793 1.00 0.00 C ATOM 2069 CD1 ILE B 36 0.816 10.415 -23.970 1.00 0.00 C ATOM 0 H ILE B 36 1.143 6.675 -23.741 1.00 0.00 H new ATOM 0 HA ILE B 36 -1.263 7.173 -22.200 1.00 0.00 H new ATOM 0 HB ILE B 36 -0.401 8.192 -24.959 1.00 0.00 H new ATOM 0 HG12 ILE B 36 0.312 9.294 -22.190 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.430 8.467 -23.257 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.685 10.213 -24.289 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.716 8.762 -24.266 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.092 9.436 -22.741 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.651 10.929 -23.494 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.064 10.208 -25.011 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -0.071 11.047 -23.928 1.00 0.00 H new ATOM 2081 N ASN B 37 -1.612 5.741 -25.141 1.00 0.00 N ATOM 2082 CA ASN B 37 -2.629 5.037 -25.979 1.00 0.00 C ATOM 2083 C ASN B 37 -3.133 3.745 -25.328 1.00 0.00 C ATOM 2084 O ASN B 37 -4.294 3.402 -25.432 1.00 0.00 O ATOM 2085 CB ASN B 37 -1.994 4.695 -27.329 1.00 0.00 C ATOM 2086 CG ASN B 37 -3.036 4.046 -28.241 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -2.819 2.969 -28.761 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -4.164 4.662 -28.461 1.00 0.00 N ATOM 0 H ASN B 37 -0.671 5.768 -25.534 1.00 0.00 H new ATOM 0 HA ASN B 37 -3.485 5.702 -26.095 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -1.601 5.598 -27.796 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -1.152 4.018 -27.184 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.865 4.240 -29.070 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -4.345 5.566 -28.024 1.00 0.00 H new ATOM 2095 N ASN B 38 -2.261 2.998 -24.717 1.00 0.00 N ATOM 2096 CA ASN B 38 -2.668 1.680 -24.117 1.00 0.00 C ATOM 2097 C ASN B 38 -2.926 1.744 -22.604 1.00 0.00 C ATOM 2098 O ASN B 38 -3.761 1.024 -22.095 1.00 0.00 O ATOM 2099 CB ASN B 38 -1.562 0.657 -24.381 1.00 0.00 C ATOM 2100 CG ASN B 38 -1.986 -0.709 -23.835 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -1.170 -1.599 -23.695 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -3.236 -0.916 -23.516 1.00 0.00 N ATOM 0 H ASN B 38 -1.276 3.237 -24.602 1.00 0.00 H new ATOM 0 HA ASN B 38 -3.609 1.396 -24.588 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -1.365 0.587 -25.451 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.635 0.978 -23.906 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -3.526 -1.823 -23.150 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -3.922 -0.171 -23.633 1.00 0.00 H new ATOM 2109 N GLU B 39 -2.209 2.546 -21.861 1.00 0.00 N ATOM 2110 CA GLU B 39 -2.436 2.558 -20.380 1.00 0.00 C ATOM 2111 C GLU B 39 -3.638 3.450 -20.035 1.00 0.00 C ATOM 2112 O GLU B 39 -4.221 3.327 -18.976 1.00 0.00 O ATOM 2113 CB GLU B 39 -1.156 3.057 -19.672 1.00 0.00 C ATOM 2114 CG GLU B 39 -1.064 2.479 -18.252 1.00 0.00 C ATOM 2115 CD GLU B 39 -2.189 3.040 -17.383 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -2.199 4.238 -17.163 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -3.023 2.261 -16.953 1.00 0.00 O ATOM 0 H GLU B 39 -1.489 3.182 -22.204 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.658 1.548 -20.035 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.278 2.764 -20.247 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.159 4.146 -19.628 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.130 1.392 -18.289 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.097 2.725 -17.813 1.00 0.00 H new ATOM 2124 N LEU B 40 -4.025 4.333 -20.926 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.202 5.231 -20.661 1.00 0.00 C ATOM 2126 C LEU B 40 -6.315 4.907 -21.660 1.00 0.00 C ATOM 2127 O LEU B 40 -7.047 5.778 -22.089 1.00 0.00 O ATOM 2128 CB LEU B 40 -4.791 6.693 -20.845 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.484 6.977 -20.098 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.134 8.468 -20.220 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.632 6.608 -18.620 1.00 0.00 C ATOM 0 H LEU B 40 -3.575 4.473 -21.831 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.550 5.073 -19.640 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.666 6.912 -21.905 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.579 7.349 -20.475 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.687 6.377 -20.538 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.204 8.668 -19.688 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.014 8.729 -21.272 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.936 9.067 -19.787 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.697 6.814 -18.098 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.433 7.199 -18.176 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.871 5.548 -18.532 1.00 0.00 H new ATOM 2143 N SER B 41 -6.440 3.670 -22.048 1.00 0.00 N ATOM 2144 CA SER B 41 -7.492 3.304 -23.038 1.00 0.00 C ATOM 2145 C SER B 41 -8.874 3.651 -22.484 1.00 0.00 C ATOM 2146 O SER B 41 -9.729 4.126 -23.205 1.00 0.00 O ATOM 2147 CB SER B 41 -7.424 1.802 -23.319 1.00 0.00 C ATOM 2148 OG SER B 41 -6.162 1.488 -23.893 1.00 0.00 O ATOM 0 H SER B 41 -5.860 2.896 -21.723 1.00 0.00 H new ATOM 0 HA SER B 41 -7.324 3.861 -23.960 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.566 1.241 -22.395 1.00 0.00 H new ATOM 0 HB3 SER B 41 -8.227 1.510 -23.996 1.00 0.00 H new ATOM 0 HG SER B 41 -5.495 1.387 -23.182 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.104 3.418 -21.213 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.441 3.735 -20.610 1.00 0.00 C ATOM 2156 C HIS B 42 -10.292 4.800 -19.518 1.00 0.00 C ATOM 2157 O HIS B 42 -11.268 5.349 -19.046 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.034 2.463 -20.001 1.00 0.00 C ATOM 2159 CG HIS B 42 -10.148 1.976 -18.892 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -9.045 1.168 -19.127 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -10.187 2.176 -17.536 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -8.469 0.915 -17.938 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -9.127 1.505 -16.940 1.00 0.00 N ATOM 0 H HIS B 42 -8.423 3.021 -20.565 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.101 4.117 -21.389 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -12.035 2.663 -19.619 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.133 1.693 -20.766 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.927 2.764 -17.013 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -7.584 0.310 -17.808 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -8.900 1.471 -15.946 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.089 5.102 -19.108 1.00 0.00 N ATOM 2173 CA PHE B 43 -8.911 6.136 -18.045 1.00 0.00 C ATOM 2174 C PHE B 43 -9.395 7.494 -18.573 1.00 0.00 C ATOM 2175 O PHE B 43 -10.071 8.235 -17.886 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.426 6.232 -17.666 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.274 6.955 -16.340 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -7.502 8.336 -16.260 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.906 6.241 -15.188 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.364 9.000 -15.036 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.769 6.911 -13.965 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.997 8.289 -13.890 1.00 0.00 C ATOM 0 H PHE B 43 -8.228 4.682 -19.459 1.00 0.00 H new ATOM 0 HA PHE B 43 -9.491 5.859 -17.165 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.995 5.233 -17.597 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.877 6.763 -18.444 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.785 8.888 -17.144 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.729 5.177 -15.245 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.541 10.064 -14.977 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -6.487 6.362 -13.079 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.889 8.804 -12.947 1.00 0.00 H new ATOM 2192 N LEU B 44 -9.043 7.828 -19.788 1.00 0.00 N ATOM 2193 CA LEU B 44 -9.466 9.139 -20.368 1.00 0.00 C ATOM 2194 C LEU B 44 -9.355 9.090 -21.885 1.00 0.00 C ATOM 2195 O LEU B 44 -8.907 8.116 -22.457 1.00 0.00 O ATOM 2196 CB LEU B 44 -8.590 10.279 -19.822 1.00 0.00 C ATOM 2197 CG LEU B 44 -7.099 9.891 -19.826 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -6.540 9.893 -21.260 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -6.324 10.902 -18.970 1.00 0.00 C ATOM 0 H LEU B 44 -8.478 7.246 -20.407 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.501 9.327 -20.084 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.737 11.174 -20.426 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.901 10.525 -18.807 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.989 8.887 -19.417 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.486 9.616 -21.240 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.092 9.175 -21.867 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.646 10.889 -21.690 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.266 10.639 -18.964 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -6.447 11.902 -19.387 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -6.708 10.885 -17.950 1.00 0.00 H new ATOM 2211 N GLU B 45 -9.765 10.136 -22.545 1.00 0.00 N ATOM 2212 CA GLU B 45 -9.687 10.148 -24.025 1.00 0.00 C ATOM 2213 C GLU B 45 -8.262 9.799 -24.445 1.00 0.00 C ATOM 2214 O GLU B 45 -7.387 10.640 -24.487 1.00 0.00 O ATOM 2215 CB GLU B 45 -10.051 11.544 -24.541 1.00 0.00 C ATOM 2216 CG GLU B 45 -10.008 11.562 -26.071 1.00 0.00 C ATOM 2217 CD GLU B 45 -11.081 10.622 -26.623 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -12.023 10.341 -25.899 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -10.942 10.194 -27.757 1.00 0.00 O ATOM 0 H GLU B 45 -10.150 10.980 -22.121 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.382 9.420 -24.443 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.046 11.822 -24.193 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.356 12.282 -24.140 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -10.173 12.575 -26.438 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.023 11.253 -26.421 1.00 0.00 H new ATOM 2226 N GLU B 46 -8.028 8.559 -24.758 1.00 0.00 N ATOM 2227 CA GLU B 46 -6.664 8.143 -25.177 1.00 0.00 C ATOM 2228 C GLU B 46 -6.275 8.910 -26.447 1.00 0.00 C ATOM 2229 O GLU B 46 -6.997 9.771 -26.909 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.636 6.625 -25.426 1.00 0.00 C ATOM 2231 CG GLU B 46 -7.270 6.287 -26.779 1.00 0.00 C ATOM 2232 CD GLU B 46 -7.506 4.778 -26.872 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -6.569 4.036 -26.631 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -8.621 4.391 -27.180 1.00 0.00 O ATOM 0 H GLU B 46 -8.724 7.813 -24.742 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.946 8.373 -24.390 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.607 6.266 -25.401 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -7.172 6.111 -24.629 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -8.214 6.821 -26.893 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.618 6.614 -27.589 1.00 0.00 H new ATOM 2241 N ILE B 47 -5.130 8.615 -27.001 1.00 0.00 N ATOM 2242 CA ILE B 47 -4.671 9.333 -28.229 1.00 0.00 C ATOM 2243 C ILE B 47 -5.103 8.564 -29.476 1.00 0.00 C ATOM 2244 O ILE B 47 -5.184 7.351 -29.474 1.00 0.00 O ATOM 2245 CB ILE B 47 -3.139 9.447 -28.222 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.665 10.128 -26.917 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -2.669 10.247 -29.458 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -2.734 11.658 -27.029 1.00 0.00 C ATOM 0 H ILE B 47 -4.487 7.903 -26.654 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.116 10.328 -28.240 1.00 0.00 H new ATOM 0 HB ILE B 47 -2.703 8.449 -28.267 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -3.284 9.794 -26.084 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -1.642 9.823 -26.696 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -1.582 10.325 -29.449 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -2.988 9.735 -30.366 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -3.105 11.246 -29.432 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -2.394 12.107 -26.096 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -2.095 11.992 -27.846 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.762 11.962 -27.225 1.00 0.00 H new ATOM 2260 N LYS B 48 -5.394 9.271 -30.540 1.00 0.00 N ATOM 2261 CA LYS B 48 -5.839 8.611 -31.807 1.00 0.00 C ATOM 2262 C LYS B 48 -4.781 8.825 -32.898 1.00 0.00 C ATOM 2263 O LYS B 48 -4.691 8.059 -33.837 1.00 0.00 O ATOM 2264 CB LYS B 48 -7.168 9.239 -32.246 1.00 0.00 C ATOM 2265 CG LYS B 48 -8.090 9.429 -31.030 1.00 0.00 C ATOM 2266 CD LYS B 48 -8.418 8.079 -30.390 1.00 0.00 C ATOM 2267 CE LYS B 48 -9.384 8.301 -29.230 1.00 0.00 C ATOM 2268 NZ LYS B 48 -10.684 8.805 -29.755 1.00 0.00 N ATOM 0 H LYS B 48 -5.342 10.289 -30.585 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.969 7.541 -31.645 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -6.984 10.200 -32.726 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -7.654 8.601 -32.985 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -7.608 10.077 -30.298 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.010 9.925 -31.338 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.863 7.411 -31.128 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.506 7.600 -30.034 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.536 7.369 -28.686 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -8.963 9.017 -28.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -10.928 9.697 -29.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.605 8.969 -30.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.428 8.101 -29.574 1.00 0.00 H new ATOM 2282 N GLU B 49 -3.978 9.858 -32.780 1.00 0.00 N ATOM 2283 CA GLU B 49 -2.915 10.126 -33.810 1.00 0.00 C ATOM 2284 C GLU B 49 -1.573 10.393 -33.128 1.00 0.00 C ATOM 2285 O GLU B 49 -1.507 10.831 -31.997 1.00 0.00 O ATOM 2286 CB GLU B 49 -3.286 11.358 -34.643 1.00 0.00 C ATOM 2287 CG GLU B 49 -4.430 11.038 -35.599 1.00 0.00 C ATOM 2288 CD GLU B 49 -3.978 10.008 -36.637 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -2.801 9.997 -36.958 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -4.817 9.247 -37.091 1.00 0.00 O ATOM 0 H GLU B 49 -4.011 10.530 -32.013 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.837 9.250 -34.453 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.575 12.176 -33.983 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.417 11.696 -35.208 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.283 10.652 -35.041 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.761 11.948 -36.099 1.00 0.00 H new ATOM 2297 N GLN B 50 -0.502 10.144 -33.829 1.00 0.00 N ATOM 2298 CA GLN B 50 0.850 10.391 -33.262 1.00 0.00 C ATOM 2299 C GLN B 50 1.070 11.899 -33.141 1.00 0.00 C ATOM 2300 O GLN B 50 1.857 12.350 -32.340 1.00 0.00 O ATOM 2301 CB GLN B 50 1.914 9.809 -34.200 1.00 0.00 C ATOM 2302 CG GLN B 50 1.702 8.302 -34.357 1.00 0.00 C ATOM 2303 CD GLN B 50 1.868 7.609 -33.006 1.00 0.00 C ATOM 2304 OE1 GLN B 50 1.252 6.593 -32.754 1.00 0.00 O ATOM 2305 NE2 GLN B 50 2.687 8.112 -32.123 1.00 0.00 N ATOM 0 H GLN B 50 -0.508 9.776 -34.780 1.00 0.00 H new ATOM 0 HA GLN B 50 0.927 9.919 -32.283 1.00 0.00 H new ATOM 0 HB2 GLN B 50 1.859 10.296 -35.174 1.00 0.00 H new ATOM 0 HB3 GLN B 50 2.909 10.005 -33.801 1.00 0.00 H new ATOM 0 HG2 GLN B 50 0.707 8.106 -34.756 1.00 0.00 H new ATOM 0 HG3 GLN B 50 2.418 7.898 -35.073 1.00 0.00 H new ATOM 0 HE21 GLN B 50 3.204 8.965 -32.335 1.00 0.00 H new ATOM 0 HE22 GLN B 50 2.810 7.652 -31.221 1.00 0.00 H new ATOM 2314 N GLU B 51 0.402 12.684 -33.952 1.00 0.00 N ATOM 2315 CA GLU B 51 0.609 14.163 -33.885 1.00 0.00 C ATOM 2316 C GLU B 51 0.244 14.694 -32.504 1.00 0.00 C ATOM 2317 O GLU B 51 0.915 15.551 -31.973 1.00 0.00 O ATOM 2318 CB GLU B 51 -0.253 14.854 -34.948 1.00 0.00 C ATOM 2319 CG GLU B 51 -1.732 14.770 -34.553 1.00 0.00 C ATOM 2320 CD GLU B 51 -2.603 15.166 -35.747 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -2.635 16.343 -36.066 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -3.223 14.286 -36.320 1.00 0.00 O ATOM 0 H GLU B 51 -0.271 12.368 -34.650 1.00 0.00 H new ATOM 0 HA GLU B 51 1.661 14.376 -34.073 1.00 0.00 H new ATOM 0 HB2 GLU B 51 0.047 15.897 -35.051 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.099 14.381 -35.918 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.976 13.758 -34.231 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.932 15.430 -33.709 1.00 0.00 H new ATOM 2329 N VAL B 52 -0.803 14.204 -31.915 1.00 0.00 N ATOM 2330 CA VAL B 52 -1.178 14.709 -30.571 1.00 0.00 C ATOM 2331 C VAL B 52 -0.039 14.437 -29.617 1.00 0.00 C ATOM 2332 O VAL B 52 0.281 15.241 -28.773 1.00 0.00 O ATOM 2333 CB VAL B 52 -2.435 14.002 -30.080 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -2.877 14.615 -28.752 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -3.540 14.163 -31.118 1.00 0.00 C ATOM 0 H VAL B 52 -1.412 13.482 -32.301 1.00 0.00 H new ATOM 0 HA VAL B 52 -1.376 15.780 -30.623 1.00 0.00 H new ATOM 0 HB VAL B 52 -2.229 12.942 -29.934 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.776 14.110 -28.400 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -2.083 14.498 -28.015 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.088 15.675 -28.893 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.442 13.658 -30.771 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.750 15.222 -31.264 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.219 13.723 -32.062 1.00 0.00 H new ATOM 2345 N VAL B 53 0.565 13.303 -29.742 1.00 0.00 N ATOM 2346 CA VAL B 53 1.686 12.964 -28.842 1.00 0.00 C ATOM 2347 C VAL B 53 2.819 13.949 -29.047 1.00 0.00 C ATOM 2348 O VAL B 53 3.448 14.360 -28.114 1.00 0.00 O ATOM 2349 CB VAL B 53 2.168 11.556 -29.157 1.00 0.00 C ATOM 2350 CG1 VAL B 53 3.319 11.191 -28.221 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.003 10.572 -28.981 1.00 0.00 C ATOM 0 H VAL B 53 0.330 12.590 -30.433 1.00 0.00 H new ATOM 0 HA VAL B 53 1.353 13.014 -27.805 1.00 0.00 H new ATOM 0 HB VAL B 53 2.523 11.506 -30.186 1.00 0.00 H new ATOM 0 HG11 VAL B 53 3.665 10.182 -28.446 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.139 11.895 -28.361 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.975 11.235 -27.188 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.343 9.561 -29.206 1.00 0.00 H new ATOM 0 HG22 VAL B 53 0.644 10.614 -27.953 1.00 0.00 H new ATOM 0 HG23 VAL B 53 0.194 10.841 -29.659 1.00 0.00 H new ATOM 2361 N ASP B 54 3.084 14.322 -30.263 1.00 0.00 N ATOM 2362 CA ASP B 54 4.189 15.283 -30.527 1.00 0.00 C ATOM 2363 C ASP B 54 3.897 16.603 -29.821 1.00 0.00 C ATOM 2364 O ASP B 54 4.774 17.234 -29.272 1.00 0.00 O ATOM 2365 CB ASP B 54 4.318 15.519 -32.035 1.00 0.00 C ATOM 2366 CG ASP B 54 5.575 16.342 -32.323 1.00 0.00 C ATOM 2367 OD1 ASP B 54 6.053 16.998 -31.413 1.00 0.00 O ATOM 2368 OD2 ASP B 54 6.037 16.303 -33.452 1.00 0.00 O ATOM 0 H ASP B 54 2.582 14.002 -31.091 1.00 0.00 H new ATOM 0 HA ASP B 54 5.125 14.872 -30.148 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.369 14.565 -32.559 1.00 0.00 H new ATOM 0 HB3 ASP B 54 3.437 16.041 -32.408 1.00 0.00 H new ATOM 2373 N LYS B 55 2.668 17.023 -29.835 1.00 0.00 N ATOM 2374 CA LYS B 55 2.311 18.304 -29.162 1.00 0.00 C ATOM 2375 C LYS B 55 2.576 18.145 -27.676 1.00 0.00 C ATOM 2376 O LYS B 55 3.091 19.027 -27.014 1.00 0.00 O ATOM 2377 CB LYS B 55 0.828 18.618 -29.388 1.00 0.00 C ATOM 2378 CG LYS B 55 0.489 19.973 -28.749 1.00 0.00 C ATOM 2379 CD LYS B 55 -0.962 20.372 -29.072 1.00 0.00 C ATOM 2380 CE LYS B 55 -1.042 21.020 -30.461 1.00 0.00 C ATOM 2381 NZ LYS B 55 -0.135 22.201 -30.512 1.00 0.00 N ATOM 0 H LYS B 55 1.891 16.537 -30.283 1.00 0.00 H new ATOM 0 HA LYS B 55 2.906 19.121 -29.571 1.00 0.00 H new ATOM 0 HB2 LYS B 55 0.609 18.642 -30.455 1.00 0.00 H new ATOM 0 HB3 LYS B 55 0.209 17.834 -28.953 1.00 0.00 H new ATOM 0 HG2 LYS B 55 0.625 19.917 -27.669 1.00 0.00 H new ATOM 0 HG3 LYS B 55 1.173 20.737 -29.117 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.604 19.492 -29.037 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -1.331 21.067 -28.318 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -0.760 20.298 -31.227 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.067 21.326 -30.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.536 22.920 -31.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.032 22.601 -29.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.798 21.907 -30.867 1.00 0.00 H new ATOM 2395 N VAL B 56 2.249 17.000 -27.158 1.00 0.00 N ATOM 2396 CA VAL B 56 2.492 16.732 -25.721 1.00 0.00 C ATOM 2397 C VAL B 56 3.999 16.713 -25.495 1.00 0.00 C ATOM 2398 O VAL B 56 4.490 17.070 -24.443 1.00 0.00 O ATOM 2399 CB VAL B 56 1.880 15.377 -25.346 1.00 0.00 C ATOM 2400 CG1 VAL B 56 2.464 14.886 -24.017 1.00 0.00 C ATOM 2401 CG2 VAL B 56 0.362 15.531 -25.207 1.00 0.00 C ATOM 0 H VAL B 56 1.820 16.232 -27.674 1.00 0.00 H new ATOM 0 HA VAL B 56 2.034 17.502 -25.100 1.00 0.00 H new ATOM 0 HB VAL B 56 2.110 14.651 -26.126 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.023 13.923 -23.759 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.544 14.776 -24.113 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.241 15.609 -23.232 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.078 14.570 -24.940 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.140 16.260 -24.428 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.057 15.872 -26.154 1.00 0.00 H new ATOM 2411 N MET B 57 4.734 16.294 -26.484 1.00 0.00 N ATOM 2412 CA MET B 57 6.210 16.249 -26.336 1.00 0.00 C ATOM 2413 C MET B 57 6.742 17.668 -26.299 1.00 0.00 C ATOM 2414 O MET B 57 7.732 17.948 -25.682 1.00 0.00 O ATOM 2415 CB MET B 57 6.837 15.464 -27.486 1.00 0.00 C ATOM 2416 CG MET B 57 6.494 13.981 -27.318 1.00 0.00 C ATOM 2417 SD MET B 57 7.392 13.295 -25.902 1.00 0.00 S ATOM 2418 CE MET B 57 8.988 13.026 -26.713 1.00 0.00 C ATOM 0 H MET B 57 4.376 15.981 -27.387 1.00 0.00 H new ATOM 0 HA MET B 57 6.471 15.742 -25.407 1.00 0.00 H new ATOM 0 HB2 MET B 57 6.463 15.832 -28.442 1.00 0.00 H new ATOM 0 HB3 MET B 57 7.918 15.603 -27.492 1.00 0.00 H new ATOM 0 HG2 MET B 57 5.421 13.862 -27.171 1.00 0.00 H new ATOM 0 HG3 MET B 57 6.754 13.434 -28.224 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.202 11.958 -26.750 1.00 0.00 H new ATOM 0 HE2 MET B 57 8.953 13.424 -27.727 1.00 0.00 H new ATOM 0 HE3 MET B 57 9.772 13.534 -26.151 1.00 0.00 H new ATOM 2428 N GLU B 58 6.078 18.588 -26.920 1.00 0.00 N ATOM 2429 CA GLU B 58 6.577 19.979 -26.857 1.00 0.00 C ATOM 2430 C GLU B 58 6.592 20.369 -25.380 1.00 0.00 C ATOM 2431 O GLU B 58 7.504 21.007 -24.894 1.00 0.00 O ATOM 2432 CB GLU B 58 5.639 20.898 -27.643 1.00 0.00 C ATOM 2433 CG GLU B 58 6.221 22.311 -27.695 1.00 0.00 C ATOM 2434 CD GLU B 58 7.479 22.315 -28.566 1.00 0.00 C ATOM 2435 OE1 GLU B 58 7.637 21.394 -29.351 1.00 0.00 O ATOM 2436 OE2 GLU B 58 8.263 23.240 -28.433 1.00 0.00 O ATOM 0 H GLU B 58 5.225 18.443 -27.460 1.00 0.00 H new ATOM 0 HA GLU B 58 7.573 20.069 -27.292 1.00 0.00 H new ATOM 0 HB2 GLU B 58 5.502 20.514 -28.654 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.656 20.917 -27.173 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.484 23.004 -28.100 1.00 0.00 H new ATOM 0 HG3 GLU B 58 6.462 22.653 -26.689 1.00 0.00 H new ATOM 2443 N THR B 59 5.581 19.961 -24.664 1.00 0.00 N ATOM 2444 CA THR B 59 5.507 20.265 -23.208 1.00 0.00 C ATOM 2445 C THR B 59 6.382 19.293 -22.396 1.00 0.00 C ATOM 2446 O THR B 59 7.018 19.679 -21.435 1.00 0.00 O ATOM 2447 CB THR B 59 4.049 20.126 -22.762 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.238 21.010 -23.521 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.912 20.462 -21.277 1.00 0.00 C ATOM 0 H THR B 59 4.795 19.424 -25.030 1.00 0.00 H new ATOM 0 HA THR B 59 5.872 21.277 -23.034 1.00 0.00 H new ATOM 0 HB THR B 59 3.728 19.097 -22.922 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.304 20.921 -23.238 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.870 20.359 -20.975 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.529 19.780 -20.691 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.240 21.487 -21.104 1.00 0.00 H new ATOM 2457 N LEU B 60 6.393 18.030 -22.748 1.00 0.00 N ATOM 2458 CA LEU B 60 7.194 17.034 -21.968 1.00 0.00 C ATOM 2459 C LEU B 60 8.624 16.959 -22.501 1.00 0.00 C ATOM 2460 O LEU B 60 9.515 16.485 -21.826 1.00 0.00 O ATOM 2461 CB LEU B 60 6.529 15.645 -22.085 1.00 0.00 C ATOM 2462 CG LEU B 60 5.526 15.428 -20.938 1.00 0.00 C ATOM 2463 CD1 LEU B 60 6.279 15.304 -19.587 1.00 0.00 C ATOM 2464 CD2 LEU B 60 4.525 16.600 -20.896 1.00 0.00 C ATOM 0 H LEU B 60 5.882 17.645 -23.542 1.00 0.00 H new ATOM 0 HA LEU B 60 7.227 17.347 -20.924 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.018 15.560 -23.044 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.292 14.867 -22.061 1.00 0.00 H new ATOM 0 HG LEU B 60 4.976 14.503 -21.110 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.560 15.151 -18.782 1.00 0.00 H new ATOM 0 HD12 LEU B 60 6.963 14.457 -19.628 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.844 16.217 -19.400 1.00 0.00 H new ATOM 0 HD21 LEU B 60 3.816 16.444 -20.083 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.064 17.533 -20.733 1.00 0.00 H new ATOM 0 HD23 LEU B 60 3.986 16.653 -21.842 1.00 0.00 H new ATOM 2476 N ASP B 61 8.864 17.420 -23.692 1.00 0.00 N ATOM 2477 CA ASP B 61 10.255 17.357 -24.217 1.00 0.00 C ATOM 2478 C ASP B 61 11.028 18.504 -23.599 1.00 0.00 C ATOM 2479 O ASP B 61 11.528 19.384 -24.272 1.00 0.00 O ATOM 2480 CB ASP B 61 10.280 17.477 -25.741 1.00 0.00 C ATOM 2481 CG ASP B 61 11.698 17.218 -26.237 1.00 0.00 C ATOM 2482 OD1 ASP B 61 12.545 16.904 -25.414 1.00 0.00 O ATOM 2483 OD2 ASP B 61 11.918 17.350 -27.429 1.00 0.00 O ATOM 0 H ASP B 61 8.172 17.832 -24.318 1.00 0.00 H new ATOM 0 HA ASP B 61 10.701 16.397 -23.959 1.00 0.00 H new ATOM 0 HB2 ASP B 61 9.589 16.761 -26.186 1.00 0.00 H new ATOM 0 HB3 ASP B 61 9.950 18.470 -26.046 1.00 0.00 H new ATOM 2488 N GLU B 62 11.116 18.491 -22.308 1.00 0.00 N ATOM 2489 CA GLU B 62 11.841 19.564 -21.596 1.00 0.00 C ATOM 2490 C GLU B 62 13.292 19.568 -22.076 1.00 0.00 C ATOM 2491 O GLU B 62 13.914 20.604 -22.203 1.00 0.00 O ATOM 2492 CB GLU B 62 11.781 19.283 -20.098 1.00 0.00 C ATOM 2493 CG GLU B 62 10.324 19.014 -19.695 1.00 0.00 C ATOM 2494 CD GLU B 62 10.192 19.058 -18.170 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.064 20.148 -17.638 1.00 0.00 O ATOM 2496 OE2 GLU B 62 10.211 18.003 -17.561 1.00 0.00 O ATOM 0 H GLU B 62 10.711 17.773 -21.707 1.00 0.00 H new ATOM 0 HA GLU B 62 11.391 20.537 -21.796 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.404 18.423 -19.851 1.00 0.00 H new ATOM 0 HB3 GLU B 62 12.175 20.133 -19.540 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.668 19.758 -20.148 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.007 18.040 -20.069 1.00 0.00 H new ATOM 2503 N ASP B 63 13.828 18.413 -22.364 1.00 0.00 N ATOM 2504 CA ASP B 63 15.231 18.345 -22.858 1.00 0.00 C ATOM 2505 C ASP B 63 15.245 18.756 -24.330 1.00 0.00 C ATOM 2506 O ASP B 63 16.286 18.965 -24.920 1.00 0.00 O ATOM 2507 CB ASP B 63 15.748 16.909 -22.740 1.00 0.00 C ATOM 2508 CG ASP B 63 15.714 16.466 -21.277 1.00 0.00 C ATOM 2509 OD1 ASP B 63 15.798 17.324 -20.415 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.601 15.274 -21.044 1.00 0.00 O ATOM 0 H ASP B 63 13.354 17.514 -22.278 1.00 0.00 H new ATOM 0 HA ASP B 63 15.864 19.008 -22.269 1.00 0.00 H new ATOM 0 HB2 ASP B 63 15.136 16.241 -23.346 1.00 0.00 H new ATOM 0 HB3 ASP B 63 16.766 16.846 -23.125 1.00 0.00 H new ATOM 2515 N GLY B 64 14.089 18.876 -24.925 1.00 0.00 N ATOM 2516 CA GLY B 64 14.030 19.279 -26.362 1.00 0.00 C ATOM 2517 C GLY B 64 14.703 18.209 -27.234 1.00 0.00 C ATOM 2518 O GLY B 64 15.240 18.509 -28.282 1.00 0.00 O ATOM 0 H GLY B 64 13.185 18.713 -24.481 1.00 0.00 H new ATOM 0 HA2 GLY B 64 12.993 19.411 -26.669 1.00 0.00 H new ATOM 0 HA3 GLY B 64 14.528 20.239 -26.500 1.00 0.00 H new ATOM 2522 N ASP B 65 14.691 16.966 -26.808 1.00 0.00 N ATOM 2523 CA ASP B 65 15.345 15.875 -27.607 1.00 0.00 C ATOM 2524 C ASP B 65 14.281 14.998 -28.274 1.00 0.00 C ATOM 2525 O ASP B 65 14.588 13.991 -28.883 1.00 0.00 O ATOM 2526 CB ASP B 65 16.200 15.019 -26.669 1.00 0.00 C ATOM 2527 CG ASP B 65 15.313 14.404 -25.587 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.189 14.857 -25.442 1.00 0.00 O ATOM 2529 OD2 ASP B 65 15.773 13.494 -24.916 1.00 0.00 O ATOM 0 H ASP B 65 14.255 16.658 -25.939 1.00 0.00 H new ATOM 0 HA ASP B 65 15.970 16.318 -28.382 1.00 0.00 H new ATOM 0 HB2 ASP B 65 16.701 14.233 -27.233 1.00 0.00 H new ATOM 0 HB3 ASP B 65 16.979 15.629 -26.212 1.00 0.00 H new ATOM 2534 N GLY B 66 13.036 15.361 -28.156 1.00 0.00 N ATOM 2535 CA GLY B 66 11.958 14.537 -28.776 1.00 0.00 C ATOM 2536 C GLY B 66 11.712 13.312 -27.898 1.00 0.00 C ATOM 2537 O GLY B 66 11.000 12.398 -28.264 1.00 0.00 O ATOM 0 H GLY B 66 12.716 16.192 -27.658 1.00 0.00 H new ATOM 0 HA2 GLY B 66 11.044 15.122 -28.873 1.00 0.00 H new ATOM 0 HA3 GLY B 66 12.248 14.230 -29.781 1.00 0.00 H new ATOM 2541 N GLU B 67 12.309 13.295 -26.736 1.00 0.00 N ATOM 2542 CA GLU B 67 12.144 12.149 -25.799 1.00 0.00 C ATOM 2543 C GLU B 67 12.009 12.699 -24.375 1.00 0.00 C ATOM 2544 O GLU B 67 12.748 13.575 -23.972 1.00 0.00 O ATOM 2545 CB GLU B 67 13.393 11.266 -25.871 1.00 0.00 C ATOM 2546 CG GLU B 67 13.727 10.960 -27.332 1.00 0.00 C ATOM 2547 CD GLU B 67 14.975 10.079 -27.394 1.00 0.00 C ATOM 2548 OE1 GLU B 67 15.643 9.958 -26.380 1.00 0.00 O ATOM 2549 OE2 GLU B 67 15.248 9.547 -28.458 1.00 0.00 O ATOM 0 H GLU B 67 12.914 14.041 -26.392 1.00 0.00 H new ATOM 0 HA GLU B 67 11.261 11.568 -26.066 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.234 11.770 -25.394 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.226 10.338 -25.324 1.00 0.00 H new ATOM 0 HG2 GLU B 67 12.888 10.455 -27.810 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.895 11.887 -27.880 1.00 0.00 H new ATOM 2556 N CYS B 68 11.083 12.187 -23.606 1.00 0.00 N ATOM 2557 CA CYS B 68 10.905 12.667 -22.197 1.00 0.00 C ATOM 2558 C CYS B 68 11.517 11.634 -21.249 1.00 0.00 C ATOM 2559 O CYS B 68 11.247 10.462 -21.337 1.00 0.00 O ATOM 2560 CB CYS B 68 9.411 12.851 -21.913 1.00 0.00 C ATOM 2561 SG CYS B 68 8.618 11.232 -21.744 1.00 0.00 S ATOM 0 H CYS B 68 10.437 11.452 -23.893 1.00 0.00 H new ATOM 0 HA CYS B 68 11.404 13.625 -22.050 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.273 13.431 -21.001 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.944 13.413 -22.722 1.00 0.00 H new ATOM 0 HG CYS B 68 9.458 10.390 -21.220 1.00 0.00 H new ATOM 2567 N ASP B 69 12.367 12.066 -20.365 1.00 0.00 N ATOM 2568 CA ASP B 69 13.037 11.117 -19.426 1.00 0.00 C ATOM 2569 C ASP B 69 12.051 10.654 -18.347 1.00 0.00 C ATOM 2570 O ASP B 69 10.986 11.215 -18.183 1.00 0.00 O ATOM 2571 CB ASP B 69 14.229 11.824 -18.777 1.00 0.00 C ATOM 2572 CG ASP B 69 15.149 10.795 -18.113 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.762 9.641 -18.039 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.230 11.179 -17.698 1.00 0.00 O ATOM 0 H ASP B 69 12.632 13.044 -20.248 1.00 0.00 H new ATOM 0 HA ASP B 69 13.381 10.241 -19.976 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.782 12.387 -19.529 1.00 0.00 H new ATOM 0 HB3 ASP B 69 13.877 12.542 -18.036 1.00 0.00 H new ATOM 2579 N PHE B 70 12.395 9.621 -17.618 1.00 0.00 N ATOM 2580 CA PHE B 70 11.475 9.108 -16.564 1.00 0.00 C ATOM 2581 C PHE B 70 11.091 10.262 -15.637 1.00 0.00 C ATOM 2582 O PHE B 70 9.969 10.357 -15.186 1.00 0.00 O ATOM 2583 CB PHE B 70 12.164 7.943 -15.796 1.00 0.00 C ATOM 2584 CG PHE B 70 12.674 8.343 -14.426 1.00 0.00 C ATOM 2585 CD1 PHE B 70 11.815 8.257 -13.326 1.00 0.00 C ATOM 2586 CD2 PHE B 70 14.002 8.749 -14.248 1.00 0.00 C ATOM 2587 CE1 PHE B 70 12.276 8.583 -12.049 1.00 0.00 C ATOM 2588 CE2 PHE B 70 14.466 9.070 -12.965 1.00 0.00 C ATOM 2589 CZ PHE B 70 13.601 8.987 -11.866 1.00 0.00 C ATOM 0 H PHE B 70 13.274 9.113 -17.710 1.00 0.00 H new ATOM 0 HA PHE B 70 10.561 8.712 -17.007 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.456 7.121 -15.686 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.997 7.569 -16.391 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.793 7.938 -13.464 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.667 8.815 -15.097 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.608 8.523 -11.202 1.00 0.00 H new ATOM 0 HE2 PHE B 70 15.490 9.381 -12.824 1.00 0.00 H new ATOM 0 HZ PHE B 70 13.958 9.235 -10.878 1.00 0.00 H new ATOM 2599 N GLN B 71 12.005 11.146 -15.359 1.00 0.00 N ATOM 2600 CA GLN B 71 11.669 12.294 -14.477 1.00 0.00 C ATOM 2601 C GLN B 71 10.680 13.224 -15.197 1.00 0.00 C ATOM 2602 O GLN B 71 9.782 13.773 -14.588 1.00 0.00 O ATOM 2603 CB GLN B 71 12.945 13.060 -14.105 1.00 0.00 C ATOM 2604 CG GLN B 71 13.767 13.359 -15.357 1.00 0.00 C ATOM 2605 CD GLN B 71 14.912 14.308 -14.997 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.864 14.980 -13.987 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.948 14.389 -15.786 1.00 0.00 N ATOM 0 H GLN B 71 12.965 11.124 -15.702 1.00 0.00 H new ATOM 0 HA GLN B 71 11.207 11.923 -13.562 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.685 13.991 -13.601 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.538 12.473 -13.404 1.00 0.00 H new ATOM 0 HG2 GLN B 71 14.164 12.434 -15.774 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.134 13.808 -16.122 1.00 0.00 H new ATOM 0 HE21 GLN B 71 15.988 13.824 -16.635 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.718 15.017 -15.554 1.00 0.00 H new ATOM 2616 N GLU B 72 10.833 13.413 -16.486 1.00 0.00 N ATOM 2617 CA GLU B 72 9.899 14.312 -17.223 1.00 0.00 C ATOM 2618 C GLU B 72 8.503 13.686 -17.254 1.00 0.00 C ATOM 2619 O GLU B 72 7.498 14.359 -17.101 1.00 0.00 O ATOM 2620 CB GLU B 72 10.403 14.475 -18.661 1.00 0.00 C ATOM 2621 CG GLU B 72 11.715 15.263 -18.677 1.00 0.00 C ATOM 2622 CD GLU B 72 12.204 15.408 -20.120 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.730 16.304 -20.798 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.047 14.622 -20.520 1.00 0.00 O ATOM 0 H GLU B 72 11.563 12.984 -17.055 1.00 0.00 H new ATOM 0 HA GLU B 72 9.853 15.281 -16.726 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.554 13.495 -19.114 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.653 14.991 -19.260 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.567 16.247 -18.231 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.467 14.751 -18.076 1.00 0.00 H new ATOM 2631 N PHE B 73 8.436 12.400 -17.445 1.00 0.00 N ATOM 2632 CA PHE B 73 7.120 11.719 -17.484 1.00 0.00 C ATOM 2633 C PHE B 73 6.445 11.832 -16.122 1.00 0.00 C ATOM 2634 O PHE B 73 5.242 11.914 -16.027 1.00 0.00 O ATOM 2635 CB PHE B 73 7.312 10.242 -17.830 1.00 0.00 C ATOM 2636 CG PHE B 73 5.982 9.546 -17.716 1.00 0.00 C ATOM 2637 CD1 PHE B 73 5.047 9.669 -18.745 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.677 8.798 -16.573 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.804 9.045 -18.634 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.435 8.169 -16.462 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.497 8.292 -17.491 1.00 0.00 C ATOM 0 H PHE B 73 9.243 11.790 -17.576 1.00 0.00 H new ATOM 0 HA PHE B 73 6.496 12.192 -18.242 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.708 10.138 -18.840 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.037 9.786 -17.155 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.285 10.246 -19.626 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.402 8.707 -15.777 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.078 9.142 -19.428 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.200 7.588 -15.582 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.536 7.807 -17.406 1.00 0.00 H new ATOM 2651 N MET B 74 7.217 11.811 -15.075 1.00 0.00 N ATOM 2652 CA MET B 74 6.641 11.881 -13.706 1.00 0.00 C ATOM 2653 C MET B 74 5.852 13.175 -13.526 1.00 0.00 C ATOM 2654 O MET B 74 4.815 13.199 -12.887 1.00 0.00 O ATOM 2655 CB MET B 74 7.780 11.839 -12.669 1.00 0.00 C ATOM 2656 CG MET B 74 8.344 10.399 -12.511 1.00 0.00 C ATOM 2657 SD MET B 74 8.357 9.929 -10.756 1.00 0.00 S ATOM 2658 CE MET B 74 6.575 10.076 -10.449 1.00 0.00 C ATOM 0 H MET B 74 8.234 11.748 -15.110 1.00 0.00 H new ATOM 0 HA MET B 74 5.972 11.032 -13.564 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.579 12.514 -12.975 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.413 12.196 -11.707 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.735 9.696 -13.080 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.354 10.348 -12.918 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.381 10.966 -9.850 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.047 10.156 -11.399 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.224 9.194 -9.913 1.00 0.00 H new ATOM 2668 N ALA B 75 6.334 14.260 -14.046 1.00 0.00 N ATOM 2669 CA ALA B 75 5.595 15.537 -13.846 1.00 0.00 C ATOM 2670 C ALA B 75 4.277 15.546 -14.629 1.00 0.00 C ATOM 2671 O ALA B 75 3.313 16.170 -14.226 1.00 0.00 O ATOM 2672 CB ALA B 75 6.475 16.710 -14.282 1.00 0.00 C ATOM 0 H ALA B 75 7.193 14.324 -14.593 1.00 0.00 H new ATOM 0 HA ALA B 75 5.354 15.634 -12.787 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.934 17.645 -14.136 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.387 16.722 -13.686 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.731 16.600 -15.336 1.00 0.00 H new ATOM 2678 N PHE B 76 4.221 14.875 -15.737 1.00 0.00 N ATOM 2679 CA PHE B 76 2.957 14.869 -16.534 1.00 0.00 C ATOM 2680 C PHE B 76 1.875 14.052 -15.818 1.00 0.00 C ATOM 2681 O PHE B 76 0.701 14.189 -16.086 1.00 0.00 O ATOM 2682 CB PHE B 76 3.240 14.279 -17.918 1.00 0.00 C ATOM 2683 CG PHE B 76 1.950 14.112 -18.687 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.272 15.241 -19.159 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.439 12.831 -18.938 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.084 15.092 -19.881 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.249 12.682 -19.660 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.428 13.814 -20.132 1.00 0.00 C ATOM 0 H PHE B 76 4.988 14.330 -16.130 1.00 0.00 H new ATOM 0 HA PHE B 76 2.594 15.891 -16.642 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.918 14.932 -18.468 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.738 13.315 -17.816 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.666 16.228 -18.966 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.963 11.959 -18.575 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.439 15.964 -20.245 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.147 11.696 -19.853 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.346 13.700 -20.690 1.00 0.00 H new ATOM 2698 N VAL B 77 2.261 13.192 -14.927 1.00 0.00 N ATOM 2699 CA VAL B 77 1.252 12.356 -14.201 1.00 0.00 C ATOM 2700 C VAL B 77 0.626 13.172 -13.080 1.00 0.00 C ATOM 2701 O VAL B 77 -0.515 12.976 -12.732 1.00 0.00 O ATOM 2702 CB VAL B 77 1.937 11.098 -13.631 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.984 9.893 -13.657 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.165 10.803 -14.479 1.00 0.00 C ATOM 0 H VAL B 77 3.232 13.025 -14.663 1.00 0.00 H new ATOM 0 HA VAL B 77 0.468 12.047 -14.892 1.00 0.00 H new ATOM 0 HB VAL B 77 2.220 11.276 -12.594 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.492 9.019 -13.250 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.102 10.114 -13.056 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.681 9.691 -14.684 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.668 9.915 -14.095 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.861 10.630 -15.511 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.847 11.652 -14.439 1.00 0.00 H new ATOM 2714 N SER B 78 1.359 14.075 -12.498 1.00 0.00 N ATOM 2715 CA SER B 78 0.762 14.875 -11.397 1.00 0.00 C ATOM 2716 C SER B 78 -0.294 15.823 -11.966 1.00 0.00 C ATOM 2717 O SER B 78 -1.338 16.024 -11.379 1.00 0.00 O ATOM 2718 CB SER B 78 1.848 15.688 -10.689 1.00 0.00 C ATOM 2719 OG SER B 78 2.766 16.181 -11.655 1.00 0.00 O ATOM 0 H SER B 78 2.328 14.292 -12.731 1.00 0.00 H new ATOM 0 HA SER B 78 0.298 14.199 -10.679 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.400 16.516 -10.140 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.368 15.066 -9.960 1.00 0.00 H new ATOM 0 HG SER B 78 3.671 16.177 -11.278 1.00 0.00 H new ATOM 2725 N MET B 79 -0.031 16.419 -13.095 1.00 0.00 N ATOM 2726 CA MET B 79 -1.031 17.362 -13.667 1.00 0.00 C ATOM 2727 C MET B 79 -2.261 16.599 -14.189 1.00 0.00 C ATOM 2728 O MET B 79 -3.385 17.011 -13.969 1.00 0.00 O ATOM 2729 CB MET B 79 -0.374 18.212 -14.778 1.00 0.00 C ATOM 2730 CG MET B 79 0.437 17.336 -15.765 1.00 0.00 C ATOM 2731 SD MET B 79 -0.463 17.156 -17.330 1.00 0.00 S ATOM 2732 CE MET B 79 -0.347 18.870 -17.903 1.00 0.00 C ATOM 0 H MET B 79 0.822 16.296 -13.641 1.00 0.00 H new ATOM 0 HA MET B 79 -1.377 18.036 -12.883 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.145 18.757 -15.323 1.00 0.00 H new ATOM 0 HB3 MET B 79 0.283 18.956 -14.327 1.00 0.00 H new ATOM 0 HG2 MET B 79 1.412 17.789 -15.948 1.00 0.00 H new ATOM 0 HG3 MET B 79 0.618 16.355 -15.327 1.00 0.00 H new ATOM 0 HE1 MET B 79 -1.333 19.218 -18.211 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.024 19.500 -17.094 1.00 0.00 H new ATOM 0 HE3 MET B 79 0.338 18.925 -18.749 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.080 15.482 -14.845 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.270 14.717 -15.335 1.00 0.00 C ATOM 2744 C VAL B 80 -4.093 14.257 -14.135 1.00 0.00 C ATOM 2745 O VAL B 80 -5.309 14.264 -14.152 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.846 13.483 -16.132 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.099 12.709 -16.557 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.066 13.903 -17.377 1.00 0.00 C ATOM 0 H VAL B 80 -1.173 15.069 -15.062 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.853 15.371 -15.983 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.209 12.854 -15.510 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.806 11.827 -17.126 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.654 12.401 -15.671 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.729 13.348 -17.176 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.769 13.016 -17.937 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.695 14.535 -18.004 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.177 14.458 -17.079 1.00 0.00 H new ATOM 2758 N THR B 81 -3.426 13.846 -13.097 1.00 0.00 N ATOM 2759 CA THR B 81 -4.138 13.364 -11.885 1.00 0.00 C ATOM 2760 C THR B 81 -4.997 14.497 -11.365 1.00 0.00 C ATOM 2761 O THR B 81 -6.093 14.301 -10.883 1.00 0.00 O ATOM 2762 CB THR B 81 -3.129 12.972 -10.806 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.285 11.938 -11.293 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.882 12.488 -9.558 1.00 0.00 C ATOM 0 H THR B 81 -2.408 13.823 -13.036 1.00 0.00 H new ATOM 0 HA THR B 81 -4.747 12.495 -12.134 1.00 0.00 H new ATOM 0 HB THR B 81 -2.518 13.836 -10.546 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.840 12.238 -12.113 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.165 12.208 -8.786 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.521 13.288 -9.186 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.495 11.624 -9.815 1.00 0.00 H new ATOM 2772 N THR B 82 -4.497 15.688 -11.459 1.00 0.00 N ATOM 2773 CA THR B 82 -5.265 16.852 -10.977 1.00 0.00 C ATOM 2774 C THR B 82 -6.656 16.814 -11.618 1.00 0.00 C ATOM 2775 O THR B 82 -7.652 17.098 -10.981 1.00 0.00 O ATOM 2776 CB THR B 82 -4.530 18.124 -11.398 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.147 17.993 -11.096 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.093 19.309 -10.635 1.00 0.00 C ATOM 0 H THR B 82 -3.581 15.905 -11.853 1.00 0.00 H new ATOM 0 HA THR B 82 -5.364 16.832 -9.892 1.00 0.00 H new ATOM 0 HB THR B 82 -4.661 18.279 -12.469 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.037 17.414 -10.313 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.569 20.217 -10.935 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.155 19.413 -10.856 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.959 19.150 -9.565 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.733 16.444 -12.870 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.062 16.365 -13.544 1.00 0.00 C ATOM 2788 C ALA B 83 -8.940 15.335 -12.824 1.00 0.00 C ATOM 2789 O ALA B 83 -10.122 15.534 -12.642 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.876 15.939 -15.006 1.00 0.00 C ATOM 0 H ALA B 83 -5.935 16.194 -13.453 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.541 17.343 -13.509 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.849 15.882 -15.495 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.253 16.670 -15.521 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.394 14.962 -15.042 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.365 14.233 -12.417 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.161 13.179 -11.718 1.00 0.00 C ATOM 2798 C CYS B 84 -9.779 13.752 -10.439 1.00 0.00 C ATOM 2799 O CYS B 84 -10.900 13.442 -10.093 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.247 12.006 -11.354 1.00 0.00 C ATOM 2801 SG CYS B 84 -9.179 10.797 -10.381 1.00 0.00 S ATOM 0 H CYS B 84 -7.376 14.017 -12.539 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.956 12.836 -12.380 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.858 11.539 -12.259 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.388 12.363 -10.785 1.00 0.00 H new ATOM 0 HG CYS B 84 -10.452 11.035 -10.498 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.061 14.588 -9.738 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.617 15.177 -8.482 1.00 0.00 C ATOM 2809 C HIS B 85 -10.916 15.911 -8.804 1.00 0.00 C ATOM 2810 O HIS B 85 -11.877 15.848 -8.063 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.606 16.163 -7.894 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.198 16.837 -6.687 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.591 18.168 -6.706 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.469 16.384 -5.419 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.069 18.468 -5.484 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.018 17.416 -4.666 1.00 0.00 N ATOM 0 H HIS B 85 -8.116 14.889 -9.978 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.814 14.385 -7.760 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.691 15.639 -7.618 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.333 16.908 -8.641 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -9.529 18.803 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.284 15.382 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -10.447 19.439 -5.201 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.958 16.598 -9.905 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.200 17.322 -10.275 1.00 0.00 C ATOM 2827 C GLU B 86 -13.355 16.329 -10.417 1.00 0.00 C ATOM 2828 O GLU B 86 -14.472 16.606 -10.029 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.996 18.050 -11.603 1.00 0.00 C ATOM 2830 CG GLU B 86 -11.030 19.217 -11.406 1.00 0.00 C ATOM 2831 CD GLU B 86 -10.832 19.938 -12.739 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.275 19.410 -13.746 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -10.254 21.011 -12.731 1.00 0.00 O ATOM 0 H GLU B 86 -10.186 16.690 -10.566 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.436 18.045 -9.494 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.602 17.361 -12.350 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -12.952 18.415 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -11.423 19.908 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -10.074 18.853 -11.030 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.103 15.179 -10.986 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.205 14.181 -11.170 1.00 0.00 C ATOM 2842 C PHE B 87 -14.298 13.250 -9.955 1.00 0.00 C ATOM 2843 O PHE B 87 -15.339 12.684 -9.682 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.936 13.352 -12.428 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.908 14.265 -13.633 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -15.108 14.719 -14.193 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -12.685 14.665 -14.183 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.084 15.570 -15.304 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -12.661 15.518 -15.293 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.861 15.969 -15.854 1.00 0.00 C ATOM 0 H PHE B 87 -12.189 14.886 -11.330 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.149 14.716 -11.273 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.986 12.826 -12.334 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.710 12.594 -12.550 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -16.052 14.413 -13.768 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -11.759 14.315 -13.751 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -16.010 15.919 -15.737 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -11.717 15.828 -15.716 1.00 0.00 H new ATOM 0 HZ PHE B 87 -13.843 16.625 -16.712 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.229 13.084 -9.220 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.270 12.185 -8.021 1.00 0.00 C ATOM 2862 C PHE B 88 -13.583 13.033 -6.793 1.00 0.00 C ATOM 2863 O PHE B 88 -13.602 12.556 -5.675 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.913 11.470 -7.852 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.903 10.205 -8.687 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.375 10.238 -10.004 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.448 9.000 -8.137 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.387 9.070 -10.773 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.464 7.830 -8.906 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.932 7.866 -10.225 1.00 0.00 C ATOM 0 H PHE B 88 -12.329 13.530 -9.395 1.00 0.00 H new ATOM 0 HA PHE B 88 -14.040 11.424 -8.147 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.101 12.129 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.745 11.228 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.730 11.166 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.085 8.973 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.748 9.098 -11.791 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -11.115 6.900 -8.482 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.942 6.964 -10.819 1.00 0.00 H new ATOM 3114 N ARG X 104 20.297 20.008 4.916 1.00 0.00 N ATOM 3115 CA ARG X 104 19.556 18.786 4.501 1.00 0.00 C ATOM 3116 C ARG X 104 18.494 19.176 3.472 1.00 0.00 C ATOM 3117 O ARG X 104 18.245 18.469 2.518 1.00 0.00 O ATOM 3118 CB ARG X 104 18.893 18.162 5.731 1.00 0.00 C ATOM 3119 CG ARG X 104 19.976 17.569 6.636 1.00 0.00 C ATOM 3120 CD ARG X 104 19.340 17.015 7.912 1.00 0.00 C ATOM 3121 NE ARG X 104 20.409 16.494 8.809 1.00 0.00 N ATOM 3122 CZ ARG X 104 20.153 16.260 10.067 1.00 0.00 C ATOM 3123 NH1 ARG X 104 18.960 16.490 10.543 1.00 0.00 N ATOM 3124 NH2 ARG X 104 21.094 15.799 10.846 1.00 0.00 N ATOM 0 HA ARG X 104 20.239 18.062 4.057 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.321 18.915 6.273 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.191 17.386 5.427 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.508 16.776 6.110 1.00 0.00 H new ATOM 0 HG3 ARG X 104 20.711 18.333 6.888 1.00 0.00 H new ATOM 0 HD2 ARG X 104 18.773 17.796 8.418 1.00 0.00 H new ATOM 0 HD3 ARG X 104 18.636 16.220 7.666 1.00 0.00 H new ATOM 0 HE ARG X 104 21.343 16.320 8.439 1.00 0.00 H new ATOM 0 HH11 ARG X 104 18.228 16.852 9.932 1.00 0.00 H new ATOM 0 HH12 ARG X 104 18.759 16.307 11.526 1.00 0.00 H new ATOM 0 HH21 ARG X 104 22.026 15.623 10.471 1.00 0.00 H new ATOM 0 HH22 ARG X 104 20.897 15.615 11.830 1.00 0.00 H new ATOM 3138 N HIS X 105 17.869 20.304 3.649 1.00 0.00 N ATOM 3139 CA HIS X 105 16.839 20.732 2.667 1.00 0.00 C ATOM 3140 C HIS X 105 17.497 20.859 1.295 1.00 0.00 C ATOM 3141 O HIS X 105 16.931 20.489 0.287 1.00 0.00 O ATOM 3142 CB HIS X 105 16.246 22.079 3.078 1.00 0.00 C ATOM 3143 CG HIS X 105 15.209 22.490 2.069 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.399 23.559 1.203 1.00 0.00 N ATOM 3145 CD2 HIS X 105 13.965 21.985 1.773 1.00 0.00 C ATOM 3146 CE1 HIS X 105 14.297 23.662 0.438 1.00 0.00 C ATOM 3147 NE2 HIS X 105 13.397 22.727 0.745 1.00 0.00 N ATOM 0 H HIS X 105 18.026 20.945 4.427 1.00 0.00 H new ATOM 0 HA HIS X 105 16.037 19.995 2.633 1.00 0.00 H new ATOM 0 HB2 HIS X 105 15.798 22.006 4.069 1.00 0.00 H new ATOM 0 HB3 HIS X 105 17.031 22.833 3.138 1.00 0.00 H new ATOM 0 HD1 HIS X 105 16.224 24.157 1.156 1.00 0.00 H new ATOM 0 HD2 HIS X 105 13.501 21.142 2.264 1.00 0.00 H new ATOM 0 HE1 HIS X 105 14.158 24.409 -0.329 1.00 0.00 H new ATOM 3156 N LYS X 106 18.693 21.377 1.250 1.00 0.00 N ATOM 3157 CA LYS X 106 19.390 21.521 -0.057 1.00 0.00 C ATOM 3158 C LYS X 106 19.551 20.140 -0.697 1.00 0.00 C ATOM 3159 O LYS X 106 19.567 20.000 -1.903 1.00 0.00 O ATOM 3160 CB LYS X 106 20.768 22.150 0.150 1.00 0.00 C ATOM 3161 CG LYS X 106 21.430 22.354 -1.215 1.00 0.00 C ATOM 3162 CD LYS X 106 22.797 23.012 -1.044 1.00 0.00 C ATOM 3163 CE LYS X 106 23.434 23.194 -2.421 1.00 0.00 C ATOM 3164 NZ LYS X 106 24.762 23.856 -2.273 1.00 0.00 N ATOM 0 H LYS X 106 19.217 21.706 2.061 1.00 0.00 H new ATOM 0 HA LYS X 106 18.800 22.165 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS X 106 20.673 23.104 0.669 1.00 0.00 H new ATOM 0 HB3 LYS X 106 21.386 21.506 0.776 1.00 0.00 H new ATOM 0 HG2 LYS X 106 21.541 21.395 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS X 106 20.795 22.976 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS X 106 22.692 23.976 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS X 106 23.436 22.395 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.551 22.227 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS X 106 22.785 23.796 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 25.195 23.979 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 24.638 24.786 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 25.380 23.265 -1.681 1.00 0.00 H new ATOM 3178 N LYS X 107 19.673 19.117 0.096 1.00 0.00 N ATOM 3179 CA LYS X 107 19.833 17.756 -0.481 1.00 0.00 C ATOM 3180 C LYS X 107 18.602 17.449 -1.334 1.00 0.00 C ATOM 3181 O LYS X 107 18.712 16.878 -2.394 1.00 0.00 O ATOM 3182 CB LYS X 107 19.972 16.729 0.648 1.00 0.00 C ATOM 3183 CG LYS X 107 20.150 15.326 0.068 1.00 0.00 C ATOM 3184 CD LYS X 107 20.285 14.323 1.214 1.00 0.00 C ATOM 3185 CE LYS X 107 20.405 12.910 0.645 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.118 12.524 0.001 1.00 0.00 N ATOM 0 H LYS X 107 19.669 19.163 1.115 1.00 0.00 H new ATOM 0 HA LYS X 107 20.730 17.708 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.826 16.982 1.276 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.088 16.757 1.286 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.297 15.068 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.035 15.292 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS X 107 21.162 14.559 1.816 1.00 0.00 H new ATOM 0 HD3 LYS X 107 19.419 14.389 1.873 1.00 0.00 H new ATOM 0 HE2 LYS X 107 21.216 12.867 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.652 12.206 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.075 11.489 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 18.324 12.850 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 19.055 12.963 -0.940 1.00 0.00 H new ATOM 3200 N LEU X 108 17.435 17.835 -0.879 1.00 0.00 N ATOM 3201 CA LEU X 108 16.185 17.580 -1.668 1.00 0.00 C ATOM 3202 C LEU X 108 16.180 18.470 -2.930 1.00 0.00 C ATOM 3203 O LEU X 108 15.640 18.104 -3.959 1.00 0.00 O ATOM 3204 CB LEU X 108 14.954 17.892 -0.788 1.00 0.00 C ATOM 3205 CG LEU X 108 13.635 17.629 -1.547 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.361 16.123 -1.628 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.473 18.302 -0.805 1.00 0.00 C ATOM 0 H LEU X 108 17.292 18.318 0.008 1.00 0.00 H new ATOM 0 HA LEU X 108 16.148 16.535 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU X 108 14.985 17.280 0.113 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.989 18.933 -0.467 1.00 0.00 H new ATOM 0 HG LEU X 108 13.725 18.037 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.428 15.951 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.179 15.632 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.280 15.713 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.542 18.116 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.399 17.893 0.203 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.651 19.376 -0.748 1.00 0.00 H new ATOM 3219 N MET X 109 16.771 19.636 -2.862 1.00 0.00 N ATOM 3220 CA MET X 109 16.789 20.539 -4.053 1.00 0.00 C ATOM 3221 C MET X 109 17.439 19.821 -5.238 1.00 0.00 C ATOM 3222 O MET X 109 17.210 20.172 -6.379 1.00 0.00 O ATOM 3223 CB MET X 109 17.563 21.832 -3.734 1.00 0.00 C ATOM 3224 CG MET X 109 16.640 22.828 -3.028 1.00 0.00 C ATOM 3225 SD MET X 109 15.775 21.990 -1.671 1.00 0.00 S ATOM 3226 CE MET X 109 14.077 22.252 -2.247 1.00 0.00 C ATOM 0 H MET X 109 17.241 20.002 -2.034 1.00 0.00 H new ATOM 0 HA MET X 109 15.763 20.801 -4.310 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.421 21.606 -3.101 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.951 22.271 -4.653 1.00 0.00 H new ATOM 0 HG2 MET X 109 17.219 23.667 -2.642 1.00 0.00 H new ATOM 0 HG3 MET X 109 15.919 23.237 -3.736 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.392 21.658 -1.642 1.00 0.00 H new ATOM 0 HE2 MET X 109 13.820 23.307 -2.155 1.00 0.00 H new ATOM 0 HE3 MET X 109 13.996 21.949 -3.291 1.00 0.00 H new ATOM 3236 N PHE X 110 18.274 18.846 -4.976 1.00 0.00 N ATOM 3237 CA PHE X 110 18.970 18.125 -6.088 1.00 0.00 C ATOM 3238 C PHE X 110 18.011 17.901 -7.267 1.00 0.00 C ATOM 3239 O PHE X 110 18.356 18.141 -8.407 1.00 0.00 O ATOM 3240 CB PHE X 110 19.502 16.768 -5.570 1.00 0.00 C ATOM 3241 CG PHE X 110 18.449 15.668 -5.681 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.367 15.618 -4.789 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.575 14.683 -6.671 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.420 14.594 -4.890 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.621 13.661 -6.771 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.544 13.619 -5.878 1.00 0.00 C ATOM 0 H PHE X 110 18.504 18.517 -4.038 1.00 0.00 H new ATOM 0 HA PHE X 110 19.806 18.732 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.387 16.483 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.811 16.872 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.265 16.372 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.408 14.712 -7.357 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.590 14.559 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.717 12.906 -7.537 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.809 12.831 -5.955 1.00 0.00 H new ATOM 3256 N LYS X 111 16.813 17.455 -7.008 1.00 0.00 N ATOM 3257 CA LYS X 111 15.855 17.238 -8.128 1.00 0.00 C ATOM 3258 C LYS X 111 15.255 18.590 -8.540 1.00 0.00 C ATOM 3259 O LYS X 111 14.881 18.792 -9.679 1.00 0.00 O ATOM 3260 CB LYS X 111 14.758 16.247 -7.690 1.00 0.00 C ATOM 3261 CG LYS X 111 13.552 16.982 -7.077 1.00 0.00 C ATOM 3262 CD LYS X 111 12.732 16.007 -6.205 1.00 0.00 C ATOM 3263 CE LYS X 111 13.225 16.047 -4.754 1.00 0.00 C ATOM 3264 NZ LYS X 111 13.039 14.701 -4.144 1.00 0.00 N ATOM 0 H LYS X 111 16.458 17.233 -6.078 1.00 0.00 H new ATOM 0 HA LYS X 111 16.369 16.809 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.431 15.660 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS X 111 15.168 15.546 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS X 111 13.895 17.823 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS X 111 12.924 17.392 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.676 16.273 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.820 14.994 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.276 16.334 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.672 16.797 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.258 14.736 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 12.815 14.010 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 13.914 14.416 -3.659 1.00 0.00 H new ATOM 3278 N THR X 112 15.158 19.517 -7.618 1.00 0.00 N ATOM 3279 CA THR X 112 14.583 20.849 -7.972 1.00 0.00 C ATOM 3280 C THR X 112 15.449 21.470 -9.068 1.00 0.00 C ATOM 3281 O THR X 112 14.956 22.055 -10.012 1.00 0.00 O ATOM 3282 CB THR X 112 14.574 21.756 -6.734 1.00 0.00 C ATOM 3283 OG1 THR X 112 13.783 21.153 -5.720 1.00 0.00 O ATOM 3284 CG2 THR X 112 13.977 23.120 -7.094 1.00 0.00 C ATOM 0 H THR X 112 15.449 19.410 -6.646 1.00 0.00 H new ATOM 0 HA THR X 112 13.558 20.735 -8.326 1.00 0.00 H new ATOM 0 HB THR X 112 15.595 21.892 -6.378 1.00 0.00 H new ATOM 0 HG1 THR X 112 13.141 21.807 -5.374 1.00 0.00 H new ATOM 0 HG21 THR X 112 13.973 23.760 -6.212 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.577 23.585 -7.876 1.00 0.00 H new ATOM 0 HG23 THR X 112 12.956 22.987 -7.451 1.00 0.00 H new ATOM 3292 N GLU X 113 16.742 21.322 -8.959 1.00 0.00 N ATOM 3293 CA GLU X 113 17.652 21.875 -9.998 1.00 0.00 C ATOM 3294 CB GLU X 113 17.526 21.025 -11.264 1.00 0.00 C ATOM 3295 CG GLU X 113 17.851 19.567 -10.930 1.00 0.00 C ATOM 3296 CD GLU X 113 17.725 18.717 -12.195 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.228 19.234 -13.183 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.131 17.568 -12.157 1.00 0.00 O ATOM 0 H GLU X 113 17.207 20.839 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.516 21.101 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.205 21.394 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.861 19.491 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.172 19.198 -10.161 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.173 17.583 -29.071 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.229 16.831 -27.789 1.00 0.00 C ATOM 3495 C ARG Y 104 -8.914 17.040 -27.036 1.00 0.00 C ATOM 3496 O ARG Y 104 -8.889 17.173 -25.830 1.00 0.00 O ATOM 3497 CB ARG Y 104 -10.431 15.347 -28.092 1.00 0.00 C ATOM 3498 CG ARG Y 104 -11.847 15.135 -28.631 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.033 13.669 -29.028 1.00 0.00 C ATOM 3500 NE ARG Y 104 -13.397 13.479 -29.597 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -13.677 12.403 -30.283 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -12.764 11.487 -30.465 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -14.870 12.245 -30.788 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.056 17.187 -27.175 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -9.696 15.009 -28.822 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.279 14.755 -27.190 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -12.580 15.413 -27.874 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.019 15.780 -29.493 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -11.278 13.381 -29.760 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -11.897 13.025 -28.159 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.113 14.190 -29.451 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -11.831 11.611 -30.071 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -12.984 10.647 -31.001 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -15.582 12.961 -30.647 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -15.090 11.405 -31.324 1.00 0.00 H new ATOM 3517 N HIS Y 105 -7.817 17.083 -27.737 1.00 0.00 N ATOM 3518 CA HIS Y 105 -6.517 17.298 -27.048 1.00 0.00 C ATOM 3519 C HIS Y 105 -6.569 18.639 -26.318 1.00 0.00 C ATOM 3520 O HIS Y 105 -6.091 18.772 -25.210 1.00 0.00 O ATOM 3521 CB HIS Y 105 -5.377 17.314 -28.067 1.00 0.00 C ATOM 3522 CG HIS Y 105 -4.074 17.533 -27.345 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -3.355 18.717 -27.457 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -3.350 16.735 -26.494 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -2.253 18.597 -26.692 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -2.205 17.410 -26.086 1.00 0.00 N ATOM 0 H HIS Y 105 -7.764 16.979 -28.750 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.340 16.489 -26.339 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -5.349 16.372 -28.615 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -5.539 18.105 -28.800 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -3.615 19.529 -28.017 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -3.627 15.737 -26.189 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -1.502 19.366 -26.583 1.00 0.00 H new ATOM 3535 N LYS Y 106 -7.152 19.633 -26.928 1.00 0.00 N ATOM 3536 CA LYS Y 106 -7.240 20.961 -26.265 1.00 0.00 C ATOM 3537 C LYS Y 106 -8.016 20.816 -24.953 1.00 0.00 C ATOM 3538 O LYS Y 106 -7.788 21.535 -24.002 1.00 0.00 O ATOM 3539 CB LYS Y 106 -7.965 21.952 -27.176 1.00 0.00 C ATOM 3540 CG LYS Y 106 -7.978 23.329 -26.507 1.00 0.00 C ATOM 3541 CD LYS Y 106 -8.682 24.344 -27.406 1.00 0.00 C ATOM 3542 CE LYS Y 106 -8.678 25.705 -26.710 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.315 26.725 -27.594 1.00 0.00 N ATOM 0 H LYS Y 106 -7.571 19.582 -27.857 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.235 21.331 -26.063 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -7.466 22.008 -28.143 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -8.985 21.615 -27.363 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -8.487 23.269 -25.545 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -6.957 23.655 -26.308 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -8.175 24.411 -28.369 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -9.705 24.025 -27.606 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -9.217 25.642 -25.765 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -7.656 26.001 -26.475 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -9.310 27.649 -27.117 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -8.783 26.793 -28.485 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -10.296 26.445 -27.796 1.00 0.00 H new ATOM 3557 N LYS Y 107 -8.934 19.895 -24.889 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.710 19.724 -23.633 1.00 0.00 C ATOM 3559 C LYS Y 107 -8.731 19.390 -22.507 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.867 19.875 -21.408 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.725 18.589 -23.806 1.00 0.00 C ATOM 3562 CG LYS Y 107 -11.552 18.419 -22.531 1.00 0.00 C ATOM 3563 CD LYS Y 107 -12.555 17.281 -22.736 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.333 17.039 -21.443 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -12.407 16.517 -20.401 1.00 0.00 N ATOM 0 H LYS Y 107 -9.179 19.257 -25.647 1.00 0.00 H new ATOM 0 HA LYS Y 107 -10.252 20.639 -23.393 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.382 18.805 -24.648 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.205 17.659 -24.037 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -10.900 18.199 -21.686 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.076 19.345 -22.296 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.243 17.531 -23.544 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.032 16.372 -23.032 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -13.794 17.966 -21.104 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.140 16.327 -21.618 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -12.955 16.040 -19.657 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -11.746 15.840 -20.832 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -11.872 17.306 -19.985 1.00 0.00 H new ATOM 3579 N LEU Y 108 -7.742 18.575 -22.780 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.734 18.216 -21.728 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.862 19.447 -21.405 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.392 19.614 -20.293 1.00 0.00 O ATOM 3583 CB LEU Y 108 -5.852 17.056 -22.243 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.808 16.629 -21.189 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.477 15.804 -20.086 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.724 15.772 -21.855 1.00 0.00 C ATOM 0 H LEU Y 108 -7.587 18.140 -23.689 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.246 17.900 -20.819 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.482 16.204 -22.499 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.344 17.362 -23.157 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.364 17.525 -20.756 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -4.730 15.509 -19.349 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.249 16.402 -19.601 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.929 14.913 -20.522 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.988 15.472 -21.109 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.180 14.884 -22.293 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.232 16.350 -22.637 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.634 20.308 -22.363 1.00 0.00 N ATOM 3599 CA MET Y 109 -4.790 21.514 -22.103 1.00 0.00 C ATOM 3600 C MET Y 109 -5.391 22.330 -20.956 1.00 0.00 C ATOM 3601 O MET Y 109 -4.701 23.094 -20.310 1.00 0.00 O ATOM 3602 CB MET Y 109 -4.692 22.381 -23.372 1.00 0.00 C ATOM 3603 CG MET Y 109 -3.581 21.846 -24.280 1.00 0.00 C ATOM 3604 SD MET Y 109 -3.788 20.056 -24.494 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.201 19.526 -23.795 1.00 0.00 C ATOM 0 H MET Y 109 -5.995 20.229 -23.314 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.787 21.189 -21.824 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -5.644 22.374 -23.903 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -4.486 23.417 -23.101 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -3.615 22.346 -25.248 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -2.605 22.061 -23.845 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.195 18.441 -23.687 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -1.392 19.829 -24.459 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -2.061 19.989 -22.818 1.00 0.00 H new ATOM 3615 N PHE Y 110 -6.673 22.203 -20.722 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.331 22.999 -19.638 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.419 23.082 -18.403 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.227 24.139 -17.837 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.681 22.341 -19.265 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.509 21.265 -18.198 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.963 20.016 -18.526 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.922 21.515 -16.881 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.829 19.028 -17.547 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.782 20.524 -15.901 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.235 19.281 -16.237 1.00 0.00 C ATOM 0 H PHE Y 110 -7.296 21.580 -21.237 1.00 0.00 H new ATOM 0 HA PHE Y 110 -7.511 24.012 -19.997 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.370 23.104 -18.904 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.130 21.902 -20.156 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.645 19.817 -19.539 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.349 22.473 -16.622 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.410 18.067 -17.805 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.096 20.719 -14.886 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.127 18.517 -15.481 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.849 21.986 -17.988 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.948 22.031 -16.802 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.578 22.571 -17.234 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.869 23.180 -16.456 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.830 20.621 -16.193 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.642 19.844 -16.791 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.849 18.330 -16.568 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.578 17.710 -17.765 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -5.406 16.572 -17.285 1.00 0.00 N ATOM 0 H LYS Y 111 -5.966 21.067 -18.415 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.356 22.695 -16.039 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.708 20.699 -15.113 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.753 20.069 -16.370 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -3.555 20.056 -17.857 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.711 20.167 -16.324 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -2.885 17.841 -16.428 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.425 18.165 -15.658 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.207 18.456 -18.251 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.859 17.366 -18.508 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -4.968 15.676 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -5.470 16.603 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.360 16.640 -17.693 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.200 22.353 -18.470 1.00 0.00 N ATOM 3658 CA THR Y 112 -1.877 22.863 -18.934 1.00 0.00 C ATOM 3659 C THR Y 112 -1.872 24.385 -18.780 1.00 0.00 C ATOM 3660 O THR Y 112 -0.897 24.977 -18.361 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.668 22.486 -20.408 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -1.705 21.072 -20.539 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.309 22.998 -20.894 1.00 0.00 C ATOM 0 H THR Y 112 -3.745 21.849 -19.169 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.072 22.424 -18.344 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.458 22.939 -21.007 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -0.924 20.770 -21.049 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.170 22.726 -21.940 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.272 24.083 -20.794 1.00 0.00 H new ATOM 0 HG23 THR Y 112 0.484 22.551 -20.295 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.971 25.020 -19.090 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.047 26.500 -18.940 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.116 26.841 -17.450 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.321 26.134 -16.823 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.393 26.473 -15.334 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.445 27.055 -14.833 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -5.398 26.152 -14.721 1.00 0.00 O ATOM 0 H GLU Y 113 -3.820 24.576 -19.441 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.198 26.530 -16.951 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.202 27.919 -17.316 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.239 26.445 -17.322 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -4.234 25.056 -16.958 1.00 0.00 H new