USER MOD reduce.3.24.130724 H: found=0, std=0, add=1426, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: A 74 MET CE :methyl -150:sc= -1.1 (180deg=-4.87!) USER MOD Set 1.2: B 74 MET CE :methyl -150:sc= -1.27 (180deg=-4.79!) USER MOD Set 2.1: B 17 TYR OH : rot -30:sc= -0.239 USER MOD Set 2.2: B 38 ASN : amide:sc= -0.705 K(o=-0.94,f=-0.098) USER MOD Set 3.1: B 15 HIS : no HE2:sc= -4.37! K(o=-8.2!,f=-10) USER MOD Set 3.2: B 25 HIS : no HD1:sc= -3.83 K(o=-8.2,f=-7.6) USER MOD Set 4.1: A 17 TYR OH : rot -30:sc= -0.238 USER MOD Set 4.2: A 38 ASN : amide:sc= -0.71 K(o=-0.95,f=-0.12) USER MOD Set 5.1: A 15 HIS : no HE2:sc= -4.56! C(o=-8.6!,f=-11!) USER MOD Set 5.2: A 25 HIS : no HD1:sc= -4.05! C(o=-8.6!,f=-7.9!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -168:sc=-0.000484 (180deg=-0.138) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -0.792 (180deg=-0.918) USER MOD Single : A 7 MET CE :methyl -170:sc= -1.3 (180deg=-1.52) USER MOD Single : A 16 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.21) USER MOD Single : A 18 SER OG : rot -118:sc= 0.344 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -0.424 (180deg=-1.43!) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= -1.22 (180deg=-3.53!) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= -2.19! (180deg=-4.51!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.33) USER MOD Single : A 41 SER OG : rot 170:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.42) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -173:sc= -1.16 (180deg=-1.29) USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.122 USER MOD Single : A 68 CYS SG : rot -150:sc= -0.818 USER MOD Single : A 71 GLN : amide:sc= -6.39! C(o=-6.4!,f=-13!) USER MOD Single : A 78 SER OG : rot -74:sc= -1.01! USER MOD Single : A 79 MET CE :methyl -168:sc= 0 (180deg=-0.165) USER MOD Single : A 81 THR OG1 : rot 78:sc= -0.0892 USER MOD Single : A 82 THR OG1 : rot 3:sc= -1.02 USER MOD Single : A 84 CYS SG : rot -37:sc= 0.0348 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -168:sc= 0 (180deg=-0.151) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0502 USER MOD Single : B 5 LYS NZ :NH3+ -172:sc= -0.812 (180deg=-0.949) USER MOD Single : B 7 MET CE :methyl -173:sc= -1.17 (180deg=-1.44) USER MOD Single : B 16 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.21) USER MOD Single : B 18 SER OG : rot -118:sc= 0.37 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ -144:sc= -0.255 (180deg=-1.26!) USER MOD Single : B 28 LYS NZ :NH3+ -103:sc= -1.32 (180deg=-3.47!) USER MOD Single : B 29 LYS NZ :NH3+ -130:sc= -2.3! (180deg=-4.81!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.34) USER MOD Single : B 41 SER OG : rot 170:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.33) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.1) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl -174:sc= -1.18 (180deg=-1.28) USER MOD Single : B 59 THR OG1 : rot -160:sc= -0.109 USER MOD Single : B 68 CYS SG : rot -150:sc= -0.856 USER MOD Single : B 71 GLN : amide:sc= -6.51! C(o=-6.5!,f=-13!) USER MOD Single : B 78 SER OG : rot -76:sc= -1.1! USER MOD Single : B 79 MET CE :methyl -168:sc= 0 (180deg=-0.165) USER MOD Single : B 81 THR OG1 : rot 80:sc= -0.0398 USER MOD Single : B 82 THR OG1 : rot 3:sc= -1.02 USER MOD Single : B 84 CYS SG : rot -35:sc= 0.0262 USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.676 1.366 16.818 1.00 0.00 N ATOM 2 CA MET A 0 -10.629 2.294 16.148 1.00 0.00 C ATOM 3 C MET A 0 -10.264 2.418 14.665 1.00 0.00 C ATOM 4 O MET A 0 -10.753 1.684 13.829 1.00 0.00 O ATOM 5 CB MET A 0 -10.549 3.674 16.808 1.00 0.00 C ATOM 6 CG MET A 0 -11.000 3.572 18.267 1.00 0.00 C ATOM 7 SD MET A 0 -11.258 5.234 18.936 1.00 0.00 S ATOM 8 CE MET A 0 -9.557 5.529 19.480 1.00 0.00 C ATOM 0 H1 MET A 0 -10.036 1.122 17.763 1.00 0.00 H new ATOM 0 H2 MET A 0 -9.577 0.500 16.250 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.748 1.827 16.909 1.00 0.00 H new ATOM 0 HA MET A 0 -11.642 1.903 16.243 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.528 4.054 16.758 1.00 0.00 H new ATOM 0 HB3 MET A 0 -11.179 4.382 16.271 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.922 2.994 18.334 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.249 3.044 18.855 1.00 0.00 H new ATOM 0 HE1 MET A 0 -9.486 6.518 19.933 1.00 0.00 H new ATOM 0 HE2 MET A 0 -9.273 4.773 20.212 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.886 5.473 18.623 1.00 0.00 H new ATOM 20 N SER A 1 -9.403 3.346 14.335 1.00 0.00 N ATOM 21 CA SER A 1 -8.997 3.525 12.906 1.00 0.00 C ATOM 22 C SER A 1 -7.745 2.687 12.622 1.00 0.00 C ATOM 23 O SER A 1 -6.633 3.172 12.657 1.00 0.00 O ATOM 24 CB SER A 1 -8.723 5.011 12.626 1.00 0.00 C ATOM 25 OG SER A 1 -8.252 5.634 13.814 1.00 0.00 O ATOM 0 H SER A 1 -8.962 3.989 14.993 1.00 0.00 H new ATOM 0 HA SER A 1 -9.802 3.190 12.252 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.984 5.113 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.633 5.502 12.281 1.00 0.00 H new ATOM 0 HG SER A 1 -8.075 6.582 13.638 1.00 0.00 H new ATOM 31 N GLU A 2 -7.933 1.430 12.332 1.00 0.00 N ATOM 32 CA GLU A 2 -6.769 0.549 12.035 1.00 0.00 C ATOM 33 C GLU A 2 -5.910 1.202 10.948 1.00 0.00 C ATOM 34 O GLU A 2 -4.705 1.048 10.915 1.00 0.00 O ATOM 35 CB GLU A 2 -7.266 -0.813 11.541 1.00 0.00 C ATOM 36 CG GLU A 2 -7.855 -1.601 12.713 1.00 0.00 C ATOM 37 CD GLU A 2 -8.422 -2.928 12.202 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.637 -3.831 11.960 1.00 0.00 O ATOM 39 OE2 GLU A 2 -9.630 -3.017 12.059 1.00 0.00 O ATOM 0 H GLU A 2 -8.844 0.974 12.288 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.177 0.409 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.020 -0.677 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.444 -1.370 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.086 -1.787 13.463 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.640 -1.020 13.198 1.00 0.00 H new ATOM 46 N LEU A 3 -6.528 1.918 10.047 1.00 0.00 N ATOM 47 CA LEU A 3 -5.762 2.570 8.943 1.00 0.00 C ATOM 48 C LEU A 3 -4.934 3.751 9.485 1.00 0.00 C ATOM 49 O LEU A 3 -3.994 4.191 8.855 1.00 0.00 O ATOM 50 CB LEU A 3 -6.757 3.069 7.869 1.00 0.00 C ATOM 51 CG LEU A 3 -6.790 2.127 6.646 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.436 2.137 5.915 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.137 0.695 7.079 1.00 0.00 C ATOM 0 H LEU A 3 -7.535 2.081 10.027 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.076 1.846 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.755 3.140 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.476 4.072 7.549 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.560 2.487 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.481 1.467 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.214 3.148 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.653 1.803 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.156 0.045 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.386 0.335 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.116 0.687 7.558 1.00 0.00 H new ATOM 65 N GLU A 4 -5.268 4.268 10.634 1.00 0.00 N ATOM 66 CA GLU A 4 -4.488 5.415 11.182 1.00 0.00 C ATOM 67 C GLU A 4 -3.109 4.918 11.616 1.00 0.00 C ATOM 68 O GLU A 4 -2.116 5.606 11.484 1.00 0.00 O ATOM 69 CB GLU A 4 -5.237 6.014 12.382 1.00 0.00 C ATOM 70 CG GLU A 4 -4.328 6.993 13.149 1.00 0.00 C ATOM 71 CD GLU A 4 -3.476 6.226 14.168 1.00 0.00 C ATOM 72 OE1 GLU A 4 -3.997 5.907 15.224 1.00 0.00 O ATOM 73 OE2 GLU A 4 -2.319 5.974 13.875 1.00 0.00 O ATOM 0 H GLU A 4 -6.043 3.949 11.216 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.369 6.185 10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.132 6.532 12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.567 5.216 13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.683 7.527 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.934 7.742 13.659 1.00 0.00 H new ATOM 80 N LYS A 5 -3.047 3.728 12.137 1.00 0.00 N ATOM 81 CA LYS A 5 -1.742 3.174 12.586 1.00 0.00 C ATOM 82 C LYS A 5 -0.892 2.812 11.367 1.00 0.00 C ATOM 83 O LYS A 5 0.278 3.132 11.295 1.00 0.00 O ATOM 84 CB LYS A 5 -2.005 1.920 13.436 1.00 0.00 C ATOM 85 CG LYS A 5 -2.386 2.334 14.880 1.00 0.00 C ATOM 86 CD LYS A 5 -3.488 1.411 15.438 1.00 0.00 C ATOM 87 CE LYS A 5 -4.866 1.913 14.986 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.897 0.884 15.300 1.00 0.00 N ATOM 0 H LYS A 5 -3.848 3.111 12.272 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.206 3.914 13.180 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.808 1.331 12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.117 1.287 13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.506 2.287 15.521 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.732 3.368 14.888 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.331 0.390 15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.439 1.388 16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.107 2.850 15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.857 2.119 13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.782 1.117 14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.562 -0.050 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.068 0.866 16.326 1.00 0.00 H new ATOM 102 N ALA A 6 -1.466 2.133 10.419 1.00 0.00 N ATOM 103 CA ALA A 6 -0.687 1.733 9.213 1.00 0.00 C ATOM 104 C ALA A 6 -0.103 2.961 8.519 1.00 0.00 C ATOM 105 O ALA A 6 1.088 3.054 8.303 1.00 0.00 O ATOM 106 CB ALA A 6 -1.596 0.992 8.234 1.00 0.00 C ATOM 0 H ALA A 6 -2.442 1.836 10.424 1.00 0.00 H new ATOM 0 HA ALA A 6 0.128 1.082 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.023 0.701 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.999 0.101 8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.416 1.644 7.934 1.00 0.00 H new ATOM 112 N MET A 7 -0.928 3.897 8.156 1.00 0.00 N ATOM 113 CA MET A 7 -0.406 5.108 7.463 1.00 0.00 C ATOM 114 C MET A 7 0.715 5.723 8.296 1.00 0.00 C ATOM 115 O MET A 7 1.697 6.212 7.771 1.00 0.00 O ATOM 116 CB MET A 7 -1.530 6.139 7.291 1.00 0.00 C ATOM 117 CG MET A 7 -2.537 5.664 6.234 1.00 0.00 C ATOM 118 SD MET A 7 -3.403 7.099 5.542 1.00 0.00 S ATOM 119 CE MET A 7 -5.007 6.851 6.344 1.00 0.00 C ATOM 0 H MET A 7 -1.937 3.879 8.307 1.00 0.00 H new ATOM 0 HA MET A 7 -0.026 4.822 6.482 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.038 6.294 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.108 7.100 6.995 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.021 5.120 5.443 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.253 4.974 6.681 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.740 7.532 5.911 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.334 5.822 6.193 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.914 7.050 7.412 1.00 0.00 H new ATOM 129 N VAL A 8 0.580 5.704 9.592 1.00 0.00 N ATOM 130 CA VAL A 8 1.643 6.290 10.458 1.00 0.00 C ATOM 131 C VAL A 8 2.887 5.400 10.392 1.00 0.00 C ATOM 132 O VAL A 8 3.994 5.863 10.199 1.00 0.00 O ATOM 133 CB VAL A 8 1.128 6.363 11.903 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.291 6.605 12.873 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.123 7.512 12.022 1.00 0.00 C ATOM 0 H VAL A 8 -0.218 5.309 10.089 1.00 0.00 H new ATOM 0 HA VAL A 8 1.898 7.293 10.115 1.00 0.00 H new ATOM 0 HB VAL A 8 0.648 5.418 12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.910 6.654 13.893 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.008 5.788 12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.783 7.545 12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.246 7.568 13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.611 8.451 11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.713 7.336 11.345 1.00 0.00 H new ATOM 145 N ALA A 9 2.702 4.126 10.561 1.00 0.00 N ATOM 146 CA ALA A 9 3.853 3.187 10.523 1.00 0.00 C ATOM 147 C ALA A 9 4.626 3.349 9.206 1.00 0.00 C ATOM 148 O ALA A 9 5.834 3.211 9.169 1.00 0.00 O ATOM 149 CB ALA A 9 3.325 1.757 10.635 1.00 0.00 C ATOM 0 H ALA A 9 1.795 3.689 10.725 1.00 0.00 H new ATOM 0 HA ALA A 9 4.527 3.403 11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.161 1.058 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.785 1.641 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.653 1.551 9.802 1.00 0.00 H new ATOM 155 N LEU A 10 3.945 3.621 8.122 1.00 0.00 N ATOM 156 CA LEU A 10 4.659 3.761 6.815 1.00 0.00 C ATOM 157 C LEU A 10 5.321 5.143 6.696 1.00 0.00 C ATOM 158 O LEU A 10 6.443 5.241 6.275 1.00 0.00 O ATOM 159 CB LEU A 10 3.669 3.556 5.650 1.00 0.00 C ATOM 160 CG LEU A 10 3.528 2.059 5.310 1.00 0.00 C ATOM 161 CD1 LEU A 10 2.619 1.380 6.335 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.917 1.913 3.912 1.00 0.00 C ATOM 0 H LEU A 10 2.934 3.751 8.084 1.00 0.00 H new ATOM 0 HA LEU A 10 5.438 3.000 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.695 3.966 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.015 4.102 4.772 1.00 0.00 H new ATOM 0 HG LEU A 10 4.511 1.588 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.522 0.322 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.051 1.485 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.635 1.849 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.816 0.856 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.935 2.386 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.565 2.394 3.180 1.00 0.00 H new ATOM 174 N ILE A 11 4.638 6.209 7.018 1.00 0.00 N ATOM 175 CA ILE A 11 5.251 7.569 6.866 1.00 0.00 C ATOM 176 C ILE A 11 6.689 7.556 7.408 1.00 0.00 C ATOM 177 O ILE A 11 7.607 8.019 6.760 1.00 0.00 O ATOM 178 CB ILE A 11 4.409 8.596 7.657 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.117 8.934 6.875 1.00 0.00 C ATOM 180 CG2 ILE A 11 5.222 9.878 7.918 1.00 0.00 C ATOM 181 CD1 ILE A 11 3.368 10.056 5.853 1.00 0.00 C ATOM 0 H ILE A 11 3.684 6.201 7.379 1.00 0.00 H new ATOM 0 HA ILE A 11 5.270 7.843 5.811 1.00 0.00 H new ATOM 0 HB ILE A 11 4.140 8.158 8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.755 8.043 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.336 9.240 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.612 10.588 8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.113 9.632 8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.517 10.322 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.444 10.274 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.706 10.953 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.132 9.738 5.144 1.00 0.00 H new ATOM 193 N ASP A 12 6.894 7.034 8.585 1.00 0.00 N ATOM 194 CA ASP A 12 8.274 7.004 9.149 1.00 0.00 C ATOM 195 C ASP A 12 9.160 6.097 8.289 1.00 0.00 C ATOM 196 O ASP A 12 10.255 6.459 7.911 1.00 0.00 O ATOM 197 CB ASP A 12 8.229 6.466 10.582 1.00 0.00 C ATOM 198 CG ASP A 12 9.635 6.500 11.184 1.00 0.00 C ATOM 199 OD1 ASP A 12 10.399 5.592 10.904 1.00 0.00 O ATOM 200 OD2 ASP A 12 9.924 7.435 11.912 1.00 0.00 O ATOM 0 H ASP A 12 6.171 6.629 9.179 1.00 0.00 H new ATOM 0 HA ASP A 12 8.686 8.013 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.549 7.066 11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.844 5.446 10.587 1.00 0.00 H new ATOM 205 N VAL A 13 8.693 4.920 7.983 1.00 0.00 N ATOM 206 CA VAL A 13 9.501 3.981 7.150 1.00 0.00 C ATOM 207 C VAL A 13 9.562 4.495 5.705 1.00 0.00 C ATOM 208 O VAL A 13 10.494 4.223 4.975 1.00 0.00 O ATOM 209 CB VAL A 13 8.861 2.584 7.192 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.761 1.570 6.474 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.678 2.154 8.653 1.00 0.00 C ATOM 0 H VAL A 13 7.783 4.564 8.274 1.00 0.00 H new ATOM 0 HA VAL A 13 10.516 3.920 7.544 1.00 0.00 H new ATOM 0 HB VAL A 13 7.893 2.620 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.298 0.584 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.892 1.872 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.733 1.533 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.224 1.164 8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.649 2.126 9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.031 2.867 9.164 1.00 0.00 H new ATOM 221 N PHE A 14 8.574 5.240 5.295 1.00 0.00 N ATOM 222 CA PHE A 14 8.572 5.779 3.902 1.00 0.00 C ATOM 223 C PHE A 14 9.621 6.890 3.780 1.00 0.00 C ATOM 224 O PHE A 14 10.427 6.901 2.871 1.00 0.00 O ATOM 225 CB PHE A 14 7.189 6.348 3.553 1.00 0.00 C ATOM 226 CG PHE A 14 7.266 7.096 2.233 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.657 6.420 1.070 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.963 8.466 2.176 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.740 7.108 -0.146 1.00 0.00 C ATOM 230 CE2 PHE A 14 7.050 9.152 0.959 1.00 0.00 C ATOM 231 CZ PHE A 14 7.438 8.473 -0.202 1.00 0.00 C ATOM 0 H PHE A 14 7.767 5.500 5.862 1.00 0.00 H new ATOM 0 HA PHE A 14 8.809 4.969 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.459 5.541 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.850 7.018 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.895 5.367 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.663 8.990 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.038 6.584 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.818 10.206 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.504 9.003 -1.141 1.00 0.00 H new ATOM 241 N HIS A 15 9.595 7.839 4.673 1.00 0.00 N ATOM 242 CA HIS A 15 10.565 8.970 4.593 1.00 0.00 C ATOM 243 C HIS A 15 11.959 8.514 5.060 1.00 0.00 C ATOM 244 O HIS A 15 12.966 9.021 4.609 1.00 0.00 O ATOM 245 CB HIS A 15 10.050 10.127 5.485 1.00 0.00 C ATOM 246 CG HIS A 15 10.175 11.457 4.778 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.370 12.537 5.105 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.996 11.896 3.766 1.00 0.00 C ATOM 249 CE1 HIS A 15 9.719 13.560 4.305 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.705 13.224 3.469 1.00 0.00 N ATOM 0 H HIS A 15 8.943 7.882 5.457 1.00 0.00 H new ATOM 0 HA HIS A 15 10.650 9.310 3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.008 9.949 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.616 10.152 6.416 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.645 12.553 5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.752 11.300 3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.257 14.536 4.335 1.00 0.00 H new ATOM 258 N GLN A 16 12.026 7.576 5.966 1.00 0.00 N ATOM 259 CA GLN A 16 13.356 7.114 6.462 1.00 0.00 C ATOM 260 C GLN A 16 14.137 6.437 5.326 1.00 0.00 C ATOM 261 O GLN A 16 15.308 6.699 5.118 1.00 0.00 O ATOM 262 CB GLN A 16 13.145 6.115 7.607 1.00 0.00 C ATOM 263 CG GLN A 16 12.787 6.866 8.897 1.00 0.00 C ATOM 264 CD GLN A 16 14.058 7.425 9.543 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.589 6.842 10.469 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.571 8.536 9.092 1.00 0.00 N ATOM 0 H GLN A 16 11.220 7.110 6.384 1.00 0.00 H new ATOM 0 HA GLN A 16 13.926 7.972 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.349 5.417 7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.049 5.526 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.094 7.677 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.281 6.195 9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.126 9.025 8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.417 8.916 9.516 1.00 0.00 H new ATOM 275 N TYR A 17 13.500 5.578 4.582 1.00 0.00 N ATOM 276 CA TYR A 17 14.209 4.893 3.460 1.00 0.00 C ATOM 277 C TYR A 17 14.169 5.781 2.222 1.00 0.00 C ATOM 278 O TYR A 17 15.192 6.121 1.664 1.00 0.00 O ATOM 279 CB TYR A 17 13.531 3.546 3.179 1.00 0.00 C ATOM 280 CG TYR A 17 13.996 2.529 4.197 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.395 2.476 5.462 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.034 1.644 3.879 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.833 1.538 6.406 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.471 0.708 4.824 1.00 0.00 C ATOM 285 CZ TYR A 17 14.872 0.654 6.087 1.00 0.00 C ATOM 286 OH TYR A 17 15.304 -0.269 7.017 1.00 0.00 O ATOM 0 H TYR A 17 12.520 5.319 4.700 1.00 0.00 H new ATOM 0 HA TYR A 17 15.250 4.713 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.447 3.655 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.774 3.207 2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.595 3.158 5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.498 1.684 2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.369 1.496 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.272 0.027 4.578 1.00 0.00 H new ATOM 0 HH TYR A 17 15.175 0.091 7.919 1.00 0.00 H new ATOM 296 N SER A 18 13.008 6.178 1.793 1.00 0.00 N ATOM 297 CA SER A 18 12.937 7.062 0.601 1.00 0.00 C ATOM 298 C SER A 18 13.851 8.265 0.836 1.00 0.00 C ATOM 299 O SER A 18 14.361 8.862 -0.089 1.00 0.00 O ATOM 300 CB SER A 18 11.502 7.542 0.403 1.00 0.00 C ATOM 301 OG SER A 18 11.212 8.558 1.355 1.00 0.00 O ATOM 0 H SER A 18 12.111 5.931 2.212 1.00 0.00 H new ATOM 0 HA SER A 18 13.254 6.517 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.371 7.927 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.808 6.709 0.519 1.00 0.00 H new ATOM 0 HG SER A 18 10.486 8.259 1.942 1.00 0.00 H new ATOM 307 N GLY A 19 14.055 8.623 2.079 1.00 0.00 N ATOM 308 CA GLY A 19 14.929 9.792 2.405 1.00 0.00 C ATOM 309 C GLY A 19 16.345 9.322 2.764 1.00 0.00 C ATOM 310 O GLY A 19 17.193 10.117 3.117 1.00 0.00 O ATOM 0 H GLY A 19 13.650 8.152 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.970 10.471 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.503 10.351 3.238 1.00 0.00 H new ATOM 314 N ARG A 20 16.622 8.048 2.669 1.00 0.00 N ATOM 315 CA ARG A 20 17.996 7.566 2.997 1.00 0.00 C ATOM 316 C ARG A 20 18.993 8.175 2.015 1.00 0.00 C ATOM 317 O ARG A 20 20.058 8.622 2.394 1.00 0.00 O ATOM 318 CB ARG A 20 18.043 6.033 2.888 1.00 0.00 C ATOM 319 CG ARG A 20 19.454 5.503 3.195 1.00 0.00 C ATOM 320 CD ARG A 20 19.530 4.018 2.832 1.00 0.00 C ATOM 321 NE ARG A 20 20.751 3.422 3.448 1.00 0.00 N ATOM 322 CZ ARG A 20 20.739 3.048 4.699 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.653 3.189 5.411 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.812 2.537 5.237 1.00 0.00 N ATOM 0 H ARG A 20 15.962 7.326 2.381 1.00 0.00 H new ATOM 0 HA ARG A 20 18.253 7.865 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.326 5.593 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.745 5.727 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.197 6.065 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.685 5.643 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.639 3.499 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.559 3.898 1.749 1.00 0.00 H new ATOM 0 HE ARG A 20 21.597 3.306 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.816 3.591 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.642 2.897 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.660 2.430 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.803 2.245 6.214 1.00 0.00 H new ATOM 338 N GLU A 21 18.668 8.185 0.754 1.00 0.00 N ATOM 339 CA GLU A 21 19.627 8.759 -0.243 1.00 0.00 C ATOM 340 C GLU A 21 18.928 9.115 -1.561 1.00 0.00 C ATOM 341 O GLU A 21 17.784 8.773 -1.793 1.00 0.00 O ATOM 342 CB GLU A 21 20.726 7.727 -0.524 1.00 0.00 C ATOM 343 CG GLU A 21 20.095 6.339 -0.732 1.00 0.00 C ATOM 344 CD GLU A 21 21.053 5.450 -1.533 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.163 5.659 -2.730 1.00 0.00 O ATOM 346 OE2 GLU A 21 21.660 4.578 -0.934 1.00 0.00 O ATOM 0 H GLU A 21 17.794 7.827 0.369 1.00 0.00 H new ATOM 0 HA GLU A 21 20.048 9.673 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.292 8.016 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.430 7.696 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.878 5.880 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.146 6.436 -1.260 1.00 0.00 H new ATOM 353 N GLY A 22 19.638 9.793 -2.431 1.00 0.00 N ATOM 354 CA GLY A 22 19.076 10.182 -3.759 1.00 0.00 C ATOM 355 C GLY A 22 17.818 11.033 -3.588 1.00 0.00 C ATOM 356 O GLY A 22 17.435 11.388 -2.491 1.00 0.00 O ATOM 0 H GLY A 22 20.599 10.097 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.822 10.738 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.840 9.287 -4.335 1.00 0.00 H new ATOM 360 N ASP A 23 17.176 11.363 -4.680 1.00 0.00 N ATOM 361 CA ASP A 23 15.940 12.196 -4.612 1.00 0.00 C ATOM 362 C ASP A 23 15.034 11.690 -3.489 1.00 0.00 C ATOM 363 O ASP A 23 14.389 10.667 -3.608 1.00 0.00 O ATOM 364 CB ASP A 23 15.196 12.110 -5.948 1.00 0.00 C ATOM 365 CG ASP A 23 14.103 13.178 -5.994 1.00 0.00 C ATOM 366 OD1 ASP A 23 13.991 13.924 -5.035 1.00 0.00 O ATOM 367 OD2 ASP A 23 13.396 13.231 -6.987 1.00 0.00 O ATOM 0 H ASP A 23 17.458 11.089 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 23 16.214 13.232 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.893 12.252 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.757 11.120 -6.068 1.00 0.00 H new ATOM 372 N LYS A 24 14.986 12.400 -2.398 1.00 0.00 N ATOM 373 CA LYS A 24 14.129 11.969 -1.262 1.00 0.00 C ATOM 374 C LYS A 24 12.700 11.719 -1.753 1.00 0.00 C ATOM 375 O LYS A 24 12.339 12.077 -2.857 1.00 0.00 O ATOM 376 CB LYS A 24 14.115 13.064 -0.194 1.00 0.00 C ATOM 377 CG LYS A 24 15.548 13.364 0.250 1.00 0.00 C ATOM 378 CD LYS A 24 15.521 14.252 1.497 1.00 0.00 C ATOM 379 CE LYS A 24 16.945 14.434 2.029 1.00 0.00 C ATOM 380 NZ LYS A 24 16.927 15.375 3.184 1.00 0.00 N ATOM 0 H LYS A 24 15.506 13.264 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 24 14.529 11.047 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.649 13.967 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.518 12.746 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.076 12.435 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.092 13.862 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.085 15.222 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.891 13.801 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.356 13.472 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.592 14.820 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.894 15.499 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.552 16.295 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.323 14.989 3.937 1.00 0.00 H new ATOM 394 N HIS A 25 11.881 11.127 -0.926 1.00 0.00 N ATOM 395 CA HIS A 25 10.462 10.866 -1.310 1.00 0.00 C ATOM 396 C HIS A 25 10.370 9.801 -2.403 1.00 0.00 C ATOM 397 O HIS A 25 9.293 9.498 -2.877 1.00 0.00 O ATOM 398 CB HIS A 25 9.810 12.172 -1.792 1.00 0.00 C ATOM 399 CG HIS A 25 10.375 13.334 -1.020 1.00 0.00 C ATOM 400 ND1 HIS A 25 10.162 13.494 0.343 1.00 0.00 N ATOM 401 CD2 HIS A 25 11.143 14.405 -1.406 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.790 14.622 0.724 1.00 0.00 C ATOM 403 NE2 HIS A 25 11.400 15.212 -0.305 1.00 0.00 N ATOM 0 H HIS A 25 12.137 10.810 0.009 1.00 0.00 H new ATOM 0 HA HIS A 25 9.932 10.493 -0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.991 12.309 -2.858 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.730 12.123 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.493 14.591 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.799 15.001 1.735 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.942 16.076 -0.287 1.00 0.00 H new ATOM 411 N LYS A 26 11.472 9.216 -2.799 1.00 0.00 N ATOM 412 CA LYS A 26 11.433 8.157 -3.853 1.00 0.00 C ATOM 413 C LYS A 26 12.144 6.915 -3.332 1.00 0.00 C ATOM 414 O LYS A 26 13.108 6.994 -2.596 1.00 0.00 O ATOM 415 CB LYS A 26 12.151 8.659 -5.108 1.00 0.00 C ATOM 416 CG LYS A 26 11.268 9.693 -5.818 1.00 0.00 C ATOM 417 CD LYS A 26 10.188 8.987 -6.686 1.00 0.00 C ATOM 418 CE LYS A 26 8.825 9.676 -6.510 1.00 0.00 C ATOM 419 NZ LYS A 26 8.153 9.141 -5.292 1.00 0.00 N ATOM 0 H LYS A 26 12.401 9.427 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 26 10.398 7.919 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.109 9.105 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.364 7.825 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.787 10.336 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.885 10.335 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.482 9.012 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.112 7.938 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.959 10.754 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.202 9.504 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.126 9.098 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.512 8.186 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.351 9.765 -4.484 1.00 0.00 H new ATOM 433 N LEU A 27 11.665 5.767 -3.709 1.00 0.00 N ATOM 434 CA LEU A 27 12.295 4.492 -3.240 1.00 0.00 C ATOM 435 C LEU A 27 13.325 4.009 -4.277 1.00 0.00 C ATOM 436 O LEU A 27 13.016 3.828 -5.439 1.00 0.00 O ATOM 437 CB LEU A 27 11.190 3.437 -3.054 1.00 0.00 C ATOM 438 CG LEU A 27 11.625 2.344 -2.053 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.394 1.569 -1.580 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.601 1.373 -2.725 1.00 0.00 C ATOM 0 H LEU A 27 10.860 5.649 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 27 12.809 4.654 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.280 3.919 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.954 2.981 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 27 12.116 2.817 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.699 0.797 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.699 2.253 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.905 1.104 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.901 0.607 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.115 0.902 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.482 1.919 -3.064 1.00 0.00 H new ATOM 452 N LYS A 28 14.549 3.788 -3.847 1.00 0.00 N ATOM 453 CA LYS A 28 15.623 3.300 -4.778 1.00 0.00 C ATOM 454 C LYS A 28 15.998 1.853 -4.434 1.00 0.00 C ATOM 455 O LYS A 28 15.794 1.392 -3.331 1.00 0.00 O ATOM 456 CB LYS A 28 16.861 4.196 -4.640 1.00 0.00 C ATOM 457 CG LYS A 28 16.425 5.642 -4.347 1.00 0.00 C ATOM 458 CD LYS A 28 17.491 6.630 -4.838 1.00 0.00 C ATOM 459 CE LYS A 28 18.895 6.205 -4.366 1.00 0.00 C ATOM 460 NZ LYS A 28 19.520 5.325 -5.393 1.00 0.00 N ATOM 0 H LYS A 28 14.852 3.926 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 28 15.254 3.338 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.500 3.829 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.450 4.162 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.474 5.849 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.266 5.771 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.470 6.683 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.265 7.629 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.516 7.085 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.826 5.679 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.577 4.353 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.943 5.337 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.477 5.670 -5.610 1.00 0.00 H new ATOM 474 N LYS A 29 16.562 1.135 -5.365 1.00 0.00 N ATOM 475 CA LYS A 29 16.960 -0.272 -5.073 1.00 0.00 C ATOM 476 C LYS A 29 17.749 -0.309 -3.757 1.00 0.00 C ATOM 477 O LYS A 29 17.508 -1.141 -2.905 1.00 0.00 O ATOM 478 CB LYS A 29 17.821 -0.805 -6.226 1.00 0.00 C ATOM 479 CG LYS A 29 18.533 -2.091 -5.802 1.00 0.00 C ATOM 480 CD LYS A 29 19.042 -2.843 -7.037 1.00 0.00 C ATOM 481 CE LYS A 29 19.850 -1.898 -7.936 1.00 0.00 C ATOM 482 NZ LYS A 29 18.921 -1.128 -8.809 1.00 0.00 N ATOM 0 H LYS A 29 16.764 1.459 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 29 16.074 -0.899 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.196 -0.997 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.555 -0.054 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.367 -1.853 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.850 -2.725 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.663 -3.684 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.200 -3.255 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.442 -1.216 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.550 -2.469 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.251 -1.175 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.966 -1.535 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.896 -0.135 -8.499 1.00 0.00 H new ATOM 496 N SER A 30 18.679 0.592 -3.578 1.00 0.00 N ATOM 497 CA SER A 30 19.460 0.605 -2.309 1.00 0.00 C ATOM 498 C SER A 30 18.488 0.746 -1.140 1.00 0.00 C ATOM 499 O SER A 30 18.792 0.411 -0.020 1.00 0.00 O ATOM 500 CB SER A 30 20.433 1.790 -2.312 1.00 0.00 C ATOM 501 OG SER A 30 21.556 1.473 -3.122 1.00 0.00 O ATOM 0 H SER A 30 18.930 1.315 -4.252 1.00 0.00 H new ATOM 0 HA SER A 30 20.028 -0.320 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.936 2.682 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.755 2.014 -1.295 1.00 0.00 H new ATOM 0 HG SER A 30 22.179 2.229 -3.127 1.00 0.00 H new ATOM 507 N GLU A 31 17.310 1.224 -1.413 1.00 0.00 N ATOM 508 CA GLU A 31 16.279 1.380 -0.341 1.00 0.00 C ATOM 509 C GLU A 31 15.333 0.202 -0.407 1.00 0.00 C ATOM 510 O GLU A 31 14.744 -0.176 0.572 1.00 0.00 O ATOM 511 CB GLU A 31 15.525 2.697 -0.537 1.00 0.00 C ATOM 512 CG GLU A 31 16.435 3.857 -0.125 1.00 0.00 C ATOM 513 CD GLU A 31 15.886 5.174 -0.677 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.878 5.133 -1.359 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.486 6.201 -0.407 1.00 0.00 O ATOM 0 H GLU A 31 17.009 1.518 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 31 16.753 1.405 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.223 2.807 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.614 2.702 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.503 3.909 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.445 3.689 -0.500 1.00 0.00 H new ATOM 522 N LEU A 32 15.194 -0.398 -1.550 1.00 0.00 N ATOM 523 CA LEU A 32 14.291 -1.574 -1.654 1.00 0.00 C ATOM 524 C LEU A 32 15.024 -2.816 -1.154 1.00 0.00 C ATOM 525 O LEU A 32 14.598 -3.460 -0.224 1.00 0.00 O ATOM 526 CB LEU A 32 13.850 -1.754 -3.125 1.00 0.00 C ATOM 527 CG LEU A 32 12.404 -2.262 -3.193 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.995 -2.447 -4.656 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.294 -3.602 -2.457 1.00 0.00 C ATOM 0 H LEU A 32 15.663 -0.128 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 32 13.403 -1.420 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.934 -0.805 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.513 -2.459 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 32 11.743 -1.535 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.968 -2.808 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.069 -1.493 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.657 -3.172 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.266 -3.961 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.956 -4.330 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.582 -3.469 -1.414 1.00 0.00 H new ATOM 541 N LYS A 33 16.124 -3.151 -1.746 1.00 0.00 N ATOM 542 CA LYS A 33 16.862 -4.353 -1.282 1.00 0.00 C ATOM 543 C LYS A 33 17.324 -4.145 0.163 1.00 0.00 C ATOM 544 O LYS A 33 17.346 -5.069 0.951 1.00 0.00 O ATOM 545 CB LYS A 33 18.057 -4.595 -2.216 1.00 0.00 C ATOM 546 CG LYS A 33 18.940 -5.754 -1.692 1.00 0.00 C ATOM 547 CD LYS A 33 20.130 -5.200 -0.887 1.00 0.00 C ATOM 548 CE LYS A 33 21.277 -4.806 -1.822 1.00 0.00 C ATOM 549 NZ LYS A 33 22.472 -4.439 -1.009 1.00 0.00 N ATOM 0 H LYS A 33 16.546 -2.650 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 33 16.214 -5.229 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.699 -4.829 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.652 -3.685 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.345 -6.418 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.305 -6.349 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.812 -4.333 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.475 -5.950 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.517 -5.633 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.978 -3.966 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.253 -4.171 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.237 -3.637 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.760 -5.252 -0.429 1.00 0.00 H new ATOM 563 N GLU A 34 17.701 -2.945 0.522 1.00 0.00 N ATOM 564 CA GLU A 34 18.166 -2.720 1.926 1.00 0.00 C ATOM 565 C GLU A 34 16.965 -2.740 2.866 1.00 0.00 C ATOM 566 O GLU A 34 17.063 -3.138 4.010 1.00 0.00 O ATOM 567 CB GLU A 34 18.883 -1.379 2.044 1.00 0.00 C ATOM 568 CG GLU A 34 19.574 -1.288 3.406 1.00 0.00 C ATOM 569 CD GLU A 34 20.343 0.032 3.499 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.306 0.784 2.540 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.952 0.268 4.529 1.00 0.00 O ATOM 0 H GLU A 34 17.708 -2.124 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 34 18.862 -3.513 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.617 -1.275 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.170 -0.562 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.836 -1.348 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.255 -2.129 3.537 1.00 0.00 H new ATOM 578 N LEU A 35 15.826 -2.332 2.387 1.00 0.00 N ATOM 579 CA LEU A 35 14.614 -2.351 3.245 1.00 0.00 C ATOM 580 C LEU A 35 14.154 -3.806 3.363 1.00 0.00 C ATOM 581 O LEU A 35 13.670 -4.248 4.385 1.00 0.00 O ATOM 582 CB LEU A 35 13.526 -1.488 2.587 1.00 0.00 C ATOM 583 CG LEU A 35 12.174 -1.671 3.294 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.295 -1.278 4.765 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.130 -0.779 2.623 1.00 0.00 C ATOM 0 H LEU A 35 15.682 -1.986 1.438 1.00 0.00 H new ATOM 0 HA LEU A 35 14.820 -1.949 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.819 -0.439 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.430 -1.758 1.535 1.00 0.00 H new ATOM 0 HG LEU A 35 11.873 -2.716 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.332 -1.411 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.041 -1.908 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.599 -0.234 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.169 -0.906 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.442 0.263 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.034 -1.057 1.574 1.00 0.00 H new ATOM 597 N ILE A 36 14.332 -4.546 2.307 1.00 0.00 N ATOM 598 CA ILE A 36 13.947 -5.983 2.289 1.00 0.00 C ATOM 599 C ILE A 36 14.727 -6.735 3.377 1.00 0.00 C ATOM 600 O ILE A 36 14.186 -7.538 4.110 1.00 0.00 O ATOM 601 CB ILE A 36 14.290 -6.536 0.904 1.00 0.00 C ATOM 602 CG1 ILE A 36 13.340 -5.908 -0.161 1.00 0.00 C ATOM 603 CG2 ILE A 36 14.164 -8.056 0.909 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.140 -6.817 -0.467 1.00 0.00 C ATOM 0 H ILE A 36 14.738 -4.207 1.435 1.00 0.00 H new ATOM 0 HA ILE A 36 12.882 -6.106 2.487 1.00 0.00 H new ATOM 0 HB ILE A 36 15.318 -6.275 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.982 -4.943 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.897 -5.721 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.409 -8.445 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.850 -8.476 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.142 -8.336 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.504 -6.341 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.496 -7.773 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.567 -6.982 0.445 1.00 0.00 H new ATOM 616 N ASN A 37 16.003 -6.488 3.457 1.00 0.00 N ATOM 617 CA ASN A 37 16.856 -7.189 4.462 1.00 0.00 C ATOM 618 C ASN A 37 16.732 -6.555 5.858 1.00 0.00 C ATOM 619 O ASN A 37 17.060 -7.177 6.848 1.00 0.00 O ATOM 620 CB ASN A 37 18.316 -7.125 4.010 1.00 0.00 C ATOM 621 CG ASN A 37 19.204 -7.810 5.051 1.00 0.00 C ATOM 622 OD1 ASN A 37 20.318 -7.387 5.290 1.00 0.00 O ATOM 623 ND2 ASN A 37 18.756 -8.860 5.684 1.00 0.00 N ATOM 0 H ASN A 37 16.499 -5.823 2.863 1.00 0.00 H new ATOM 0 HA ASN A 37 16.517 -8.223 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.430 -7.613 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.623 -6.087 3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.341 -9.325 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.821 -9.216 5.484 1.00 0.00 H new ATOM 630 N ASN A 38 16.320 -5.312 5.952 1.00 0.00 N ATOM 631 CA ASN A 38 16.251 -4.651 7.301 1.00 0.00 C ATOM 632 C ASN A 38 14.852 -4.740 7.944 1.00 0.00 C ATOM 633 O ASN A 38 14.741 -5.001 9.125 1.00 0.00 O ATOM 634 CB ASN A 38 16.629 -3.176 7.143 1.00 0.00 C ATOM 635 CG ASN A 38 16.747 -2.525 8.521 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.831 -2.394 9.055 1.00 0.00 O ATOM 637 ND2 ASN A 38 15.669 -2.105 9.125 1.00 0.00 N ATOM 0 H ASN A 38 16.031 -4.731 5.165 1.00 0.00 H new ATOM 0 HA ASN A 38 16.943 -5.177 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.574 -3.088 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.875 -2.659 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.737 -1.667 10.044 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.759 -2.214 8.678 1.00 0.00 H new ATOM 644 N GLU A 39 13.792 -4.504 7.206 1.00 0.00 N ATOM 645 CA GLU A 39 12.412 -4.554 7.818 1.00 0.00 C ATOM 646 C GLU A 39 11.655 -5.791 7.332 1.00 0.00 C ATOM 647 O GLU A 39 11.324 -6.664 8.109 1.00 0.00 O ATOM 648 CB GLU A 39 11.649 -3.287 7.417 1.00 0.00 C ATOM 649 CG GLU A 39 10.454 -3.077 8.349 1.00 0.00 C ATOM 650 CD GLU A 39 10.944 -2.553 9.701 1.00 0.00 C ATOM 651 OE1 GLU A 39 11.333 -3.364 10.524 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.923 -1.348 9.890 1.00 0.00 O ATOM 0 H GLU A 39 13.816 -4.280 6.211 1.00 0.00 H new ATOM 0 HA GLU A 39 12.499 -4.610 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.312 -2.423 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.306 -3.371 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.754 -2.369 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.916 -4.015 8.484 1.00 0.00 H new ATOM 659 N LEU A 40 11.383 -5.890 6.060 1.00 0.00 N ATOM 660 CA LEU A 40 10.655 -7.092 5.554 1.00 0.00 C ATOM 661 C LEU A 40 11.605 -8.293 5.595 1.00 0.00 C ATOM 662 O LEU A 40 11.506 -9.200 4.800 1.00 0.00 O ATOM 663 CB LEU A 40 10.194 -6.843 4.110 1.00 0.00 C ATOM 664 CG LEU A 40 9.022 -5.850 4.052 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.794 -6.406 4.786 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.434 -4.510 4.668 1.00 0.00 C ATOM 0 H LEU A 40 11.630 -5.198 5.353 1.00 0.00 H new ATOM 0 HA LEU A 40 9.782 -7.290 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.028 -6.457 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.894 -7.787 3.656 1.00 0.00 H new ATOM 0 HG LEU A 40 8.758 -5.698 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.979 -5.684 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.483 -7.341 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.046 -6.588 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.596 -3.815 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.722 -4.661 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.278 -4.099 4.114 1.00 0.00 H new ATOM 678 N SER A 41 12.533 -8.305 6.520 1.00 0.00 N ATOM 679 CA SER A 41 13.499 -9.441 6.617 1.00 0.00 C ATOM 680 C SER A 41 12.972 -10.510 7.582 1.00 0.00 C ATOM 681 O SER A 41 13.445 -11.630 7.592 1.00 0.00 O ATOM 682 CB SER A 41 14.846 -8.900 7.127 1.00 0.00 C ATOM 683 OG SER A 41 15.066 -9.330 8.466 1.00 0.00 O ATOM 0 H SER A 41 12.663 -7.571 7.216 1.00 0.00 H new ATOM 0 HA SER A 41 13.625 -9.896 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.655 -9.251 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.851 -7.811 7.080 1.00 0.00 H new ATOM 0 HG SER A 41 15.987 -9.122 8.729 1.00 0.00 H new ATOM 689 N HIS A 42 12.011 -10.183 8.408 1.00 0.00 N ATOM 690 CA HIS A 42 11.482 -11.192 9.378 1.00 0.00 C ATOM 691 C HIS A 42 10.299 -11.945 8.763 1.00 0.00 C ATOM 692 O HIS A 42 9.982 -13.047 9.167 1.00 0.00 O ATOM 693 CB HIS A 42 11.018 -10.476 10.648 1.00 0.00 C ATOM 694 CG HIS A 42 12.189 -9.781 11.288 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.613 -8.522 10.884 1.00 0.00 N ATOM 696 CD2 HIS A 42 13.038 -10.155 12.300 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.672 -8.187 11.643 1.00 0.00 C ATOM 698 NE2 HIS A 42 13.970 -9.147 12.520 1.00 0.00 N ATOM 0 H HIS A 42 11.570 -9.264 8.454 1.00 0.00 H new ATOM 0 HA HIS A 42 12.272 -11.904 9.618 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.239 -9.752 10.407 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.582 -11.193 11.344 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.989 -11.088 12.842 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.213 -7.257 11.553 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.723 -9.142 13.208 1.00 0.00 H new ATOM 707 N PHE A 43 9.645 -11.360 7.789 1.00 0.00 N ATOM 708 CA PHE A 43 8.476 -12.037 7.138 1.00 0.00 C ATOM 709 C PHE A 43 8.852 -12.420 5.711 1.00 0.00 C ATOM 710 O PHE A 43 8.271 -13.313 5.127 1.00 0.00 O ATOM 711 CB PHE A 43 7.286 -11.074 7.101 1.00 0.00 C ATOM 712 CG PHE A 43 6.872 -10.719 8.509 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.499 -9.661 9.177 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.859 -11.446 9.146 1.00 0.00 C ATOM 715 CE1 PHE A 43 7.113 -9.329 10.482 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.472 -11.115 10.450 1.00 0.00 C ATOM 717 CZ PHE A 43 6.100 -10.056 11.118 1.00 0.00 C ATOM 0 H PHE A 43 9.871 -10.439 7.414 1.00 0.00 H new ATOM 0 HA PHE A 43 8.208 -12.929 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.554 -10.171 6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.451 -11.533 6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.281 -9.100 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.376 -12.263 8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.597 -8.512 10.997 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.690 -11.676 10.940 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.802 -9.800 12.124 1.00 0.00 H new ATOM 727 N LEU A 44 9.831 -11.755 5.151 1.00 0.00 N ATOM 728 CA LEU A 44 10.272 -12.069 3.757 1.00 0.00 C ATOM 729 C LEU A 44 11.658 -12.722 3.822 1.00 0.00 C ATOM 730 O LEU A 44 12.528 -12.281 4.545 1.00 0.00 O ATOM 731 CB LEU A 44 10.322 -10.755 2.944 1.00 0.00 C ATOM 732 CG LEU A 44 9.710 -10.930 1.541 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.209 -11.276 1.639 1.00 0.00 C ATOM 734 CD2 LEU A 44 9.884 -9.617 0.767 1.00 0.00 C ATOM 0 H LEU A 44 10.348 -11.001 5.604 1.00 0.00 H new ATOM 0 HA LEU A 44 9.578 -12.755 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.784 -9.974 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.356 -10.423 2.851 1.00 0.00 H new ATOM 0 HG LEU A 44 10.216 -11.747 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.797 -11.395 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.085 -12.205 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.683 -10.472 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.456 -9.723 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.375 -8.812 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.945 -9.382 0.683 1.00 0.00 H new ATOM 746 N GLU A 45 11.865 -13.775 3.083 1.00 0.00 N ATOM 747 CA GLU A 45 13.189 -14.459 3.118 1.00 0.00 C ATOM 748 C GLU A 45 14.304 -13.421 2.954 1.00 0.00 C ATOM 749 O GLU A 45 14.226 -12.537 2.124 1.00 0.00 O ATOM 750 CB GLU A 45 13.271 -15.481 1.982 1.00 0.00 C ATOM 751 CG GLU A 45 14.464 -16.409 2.217 1.00 0.00 C ATOM 752 CD GLU A 45 14.584 -17.394 1.053 1.00 0.00 C ATOM 753 OE1 GLU A 45 13.736 -17.351 0.177 1.00 0.00 O ATOM 754 OE2 GLU A 45 15.522 -18.175 1.058 1.00 0.00 O ATOM 0 H GLU A 45 11.176 -14.192 2.457 1.00 0.00 H new ATOM 0 HA GLU A 45 13.306 -14.971 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.349 -16.061 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.377 -14.970 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.380 -15.825 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.337 -16.951 3.154 1.00 0.00 H new ATOM 761 N GLU A 46 15.331 -13.519 3.750 1.00 0.00 N ATOM 762 CA GLU A 46 16.449 -12.537 3.659 1.00 0.00 C ATOM 763 C GLU A 46 17.017 -12.514 2.240 1.00 0.00 C ATOM 764 O GLU A 46 17.865 -13.309 1.886 1.00 0.00 O ATOM 765 CB GLU A 46 17.553 -12.934 4.641 1.00 0.00 C ATOM 766 CG GLU A 46 17.089 -12.649 6.069 1.00 0.00 C ATOM 767 CD GLU A 46 18.233 -12.933 7.046 1.00 0.00 C ATOM 768 OE1 GLU A 46 19.330 -13.198 6.583 1.00 0.00 O ATOM 769 OE2 GLU A 46 17.991 -12.878 8.240 1.00 0.00 O ATOM 0 H GLU A 46 15.446 -14.239 4.463 1.00 0.00 H new ATOM 0 HA GLU A 46 16.072 -11.545 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.792 -13.992 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.465 -12.377 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.770 -11.610 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.226 -13.269 6.313 1.00 0.00 H new ATOM 776 N ILE A 47 16.567 -11.597 1.429 1.00 0.00 N ATOM 777 CA ILE A 47 17.092 -11.508 0.039 1.00 0.00 C ATOM 778 C ILE A 47 18.532 -10.995 0.089 1.00 0.00 C ATOM 779 O ILE A 47 18.804 -9.942 0.630 1.00 0.00 O ATOM 780 CB ILE A 47 16.213 -10.539 -0.768 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.847 -11.206 -1.023 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.885 -10.182 -2.102 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.913 -10.306 -1.859 1.00 0.00 C ATOM 0 H ILE A 47 15.857 -10.905 1.670 1.00 0.00 H new ATOM 0 HA ILE A 47 17.074 -12.488 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 47 16.076 -9.617 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.997 -12.153 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.372 -11.436 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.247 -9.495 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.847 -9.708 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.038 -11.089 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.962 -10.815 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.741 -9.369 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.376 -10.098 -2.824 1.00 0.00 H new ATOM 795 N LYS A 48 19.450 -11.729 -0.483 1.00 0.00 N ATOM 796 CA LYS A 48 20.884 -11.297 -0.492 1.00 0.00 C ATOM 797 C LYS A 48 21.271 -10.936 -1.925 1.00 0.00 C ATOM 798 O LYS A 48 22.276 -10.300 -2.167 1.00 0.00 O ATOM 799 CB LYS A 48 21.761 -12.446 0.008 1.00 0.00 C ATOM 800 CG LYS A 48 21.466 -12.701 1.489 1.00 0.00 C ATOM 801 CD LYS A 48 22.386 -13.807 2.012 1.00 0.00 C ATOM 802 CE LYS A 48 21.864 -14.316 3.357 1.00 0.00 C ATOM 803 NZ LYS A 48 22.763 -15.392 3.863 1.00 0.00 N ATOM 0 H LYS A 48 19.268 -12.618 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 48 21.025 -10.434 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.566 -13.347 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.814 -12.200 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.617 -11.787 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.423 -12.990 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.431 -14.626 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.401 -13.426 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.819 -13.497 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.849 -14.698 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.409 -15.739 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.784 -16.176 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.724 -15.013 3.985 1.00 0.00 H new ATOM 817 N GLU A 49 20.459 -11.332 -2.874 1.00 0.00 N ATOM 818 CA GLU A 49 20.738 -11.017 -4.308 1.00 0.00 C ATOM 819 C GLU A 49 19.719 -9.985 -4.790 1.00 0.00 C ATOM 820 O GLU A 49 18.536 -10.108 -4.544 1.00 0.00 O ATOM 821 CB GLU A 49 20.600 -12.288 -5.151 1.00 0.00 C ATOM 822 CG GLU A 49 21.415 -13.419 -4.517 1.00 0.00 C ATOM 823 CD GLU A 49 20.677 -13.969 -3.293 1.00 0.00 C ATOM 824 OE1 GLU A 49 19.518 -13.634 -3.121 1.00 0.00 O ATOM 825 OE2 GLU A 49 21.287 -14.718 -2.548 1.00 0.00 O ATOM 0 H GLU A 49 19.605 -11.866 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 49 21.750 -10.625 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.551 -12.577 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.948 -12.102 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.576 -14.215 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.398 -13.051 -4.225 1.00 0.00 H new ATOM 832 N GLN A 50 20.164 -8.965 -5.468 1.00 0.00 N ATOM 833 CA GLN A 50 19.213 -7.930 -5.956 1.00 0.00 C ATOM 834 C GLN A 50 18.333 -8.524 -7.056 1.00 0.00 C ATOM 835 O GLN A 50 17.285 -7.997 -7.375 1.00 0.00 O ATOM 836 CB GLN A 50 19.995 -6.746 -6.524 1.00 0.00 C ATOM 837 CG GLN A 50 20.990 -6.238 -5.479 1.00 0.00 C ATOM 838 CD GLN A 50 21.885 -5.168 -6.106 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.813 -4.011 -5.742 1.00 0.00 O ATOM 840 NE2 GLN A 50 22.733 -5.507 -7.039 1.00 0.00 N ATOM 0 H GLN A 50 21.143 -8.804 -5.705 1.00 0.00 H new ATOM 0 HA GLN A 50 18.589 -7.594 -5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.524 -7.047 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.310 -5.947 -6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.456 -5.825 -4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.597 -7.064 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.794 -6.478 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.335 -4.801 -7.462 1.00 0.00 H new ATOM 849 N GLU A 51 18.766 -9.601 -7.658 1.00 0.00 N ATOM 850 CA GLU A 51 17.982 -10.228 -8.760 1.00 0.00 C ATOM 851 C GLU A 51 16.492 -10.219 -8.447 1.00 0.00 C ATOM 852 O GLU A 51 15.679 -9.917 -9.299 1.00 0.00 O ATOM 853 CB GLU A 51 18.452 -11.668 -8.971 1.00 0.00 C ATOM 854 CG GLU A 51 19.877 -11.663 -9.528 1.00 0.00 C ATOM 855 CD GLU A 51 20.472 -13.069 -9.422 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.172 -13.884 -10.280 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.218 -13.307 -8.487 1.00 0.00 O ATOM 0 H GLU A 51 19.639 -10.077 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 51 18.146 -9.648 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.421 -12.214 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.783 -12.183 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.871 -11.337 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.492 -10.954 -8.975 1.00 0.00 H new ATOM 864 N VAL A 52 16.111 -10.522 -7.244 1.00 0.00 N ATOM 865 CA VAL A 52 14.663 -10.493 -6.931 1.00 0.00 C ATOM 866 C VAL A 52 14.230 -9.041 -6.900 1.00 0.00 C ATOM 867 O VAL A 52 13.163 -8.683 -7.353 1.00 0.00 O ATOM 868 CB VAL A 52 14.395 -11.152 -5.568 1.00 0.00 C ATOM 869 CG1 VAL A 52 12.941 -11.636 -5.496 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.335 -12.343 -5.375 1.00 0.00 C ATOM 0 H VAL A 52 16.728 -10.784 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 52 14.102 -11.046 -7.685 1.00 0.00 H new ATOM 0 HB VAL A 52 14.570 -10.418 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.760 -12.101 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.268 -10.788 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.760 -12.363 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.141 -12.807 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.166 -13.072 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.369 -12.000 -5.412 1.00 0.00 H new ATOM 880 N VAL A 53 15.074 -8.200 -6.392 1.00 0.00 N ATOM 881 CA VAL A 53 14.739 -6.763 -6.354 1.00 0.00 C ATOM 882 C VAL A 53 14.716 -6.268 -7.789 1.00 0.00 C ATOM 883 O VAL A 53 14.068 -5.299 -8.119 1.00 0.00 O ATOM 884 CB VAL A 53 15.780 -5.995 -5.520 1.00 0.00 C ATOM 885 CG1 VAL A 53 15.622 -4.477 -5.754 1.00 0.00 C ATOM 886 CG2 VAL A 53 15.598 -6.325 -4.009 1.00 0.00 C ATOM 0 H VAL A 53 15.983 -8.447 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 53 13.768 -6.601 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 53 16.780 -6.299 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.361 -3.939 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.772 -4.254 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.621 -4.165 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.338 -5.778 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.597 -6.033 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.731 -7.395 -3.852 1.00 0.00 H new ATOM 896 N ASP A 54 15.411 -6.949 -8.653 1.00 0.00 N ATOM 897 CA ASP A 54 15.413 -6.533 -10.077 1.00 0.00 C ATOM 898 C ASP A 54 14.101 -7.007 -10.696 1.00 0.00 C ATOM 899 O ASP A 54 13.523 -6.359 -11.546 1.00 0.00 O ATOM 900 CB ASP A 54 16.595 -7.176 -10.807 1.00 0.00 C ATOM 901 CG ASP A 54 17.905 -6.711 -10.165 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.851 -5.809 -9.346 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.937 -7.266 -10.502 1.00 0.00 O ATOM 0 H ASP A 54 15.974 -7.771 -8.435 1.00 0.00 H new ATOM 0 HA ASP A 54 15.508 -5.450 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.519 -8.262 -10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.577 -6.902 -11.862 1.00 0.00 H new ATOM 908 N LYS A 55 13.627 -8.142 -10.257 1.00 0.00 N ATOM 909 CA LYS A 55 12.347 -8.685 -10.793 1.00 0.00 C ATOM 910 C LYS A 55 11.169 -8.064 -10.030 1.00 0.00 C ATOM 911 O LYS A 55 10.159 -7.726 -10.614 1.00 0.00 O ATOM 912 CB LYS A 55 12.343 -10.216 -10.636 1.00 0.00 C ATOM 913 CG LYS A 55 10.912 -10.791 -10.813 1.00 0.00 C ATOM 914 CD LYS A 55 10.254 -11.023 -9.438 1.00 0.00 C ATOM 915 CE LYS A 55 8.728 -11.020 -9.577 1.00 0.00 C ATOM 916 NZ LYS A 55 8.120 -11.677 -8.385 1.00 0.00 N ATOM 0 H LYS A 55 14.075 -8.719 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 55 12.249 -8.436 -11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.011 -10.662 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.728 -10.485 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.306 -10.102 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.956 -11.729 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.587 -11.974 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.565 -10.244 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.362 -9.997 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.434 -11.546 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.084 -11.675 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.460 -12.657 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.391 -11.157 -7.526 1.00 0.00 H new ATOM 930 N VAL A 56 11.277 -7.906 -8.735 1.00 0.00 N ATOM 931 CA VAL A 56 10.146 -7.304 -7.973 1.00 0.00 C ATOM 932 C VAL A 56 9.891 -5.894 -8.517 1.00 0.00 C ATOM 933 O VAL A 56 8.764 -5.457 -8.643 1.00 0.00 O ATOM 934 CB VAL A 56 10.499 -7.276 -6.459 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.153 -5.945 -6.053 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.233 -7.475 -5.619 1.00 0.00 C ATOM 0 H VAL A 56 12.092 -8.165 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 56 9.238 -7.896 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 56 11.207 -8.085 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.385 -5.964 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.072 -5.802 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.467 -5.124 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.492 -7.454 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.524 -6.676 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.782 -8.437 -5.863 1.00 0.00 H new ATOM 946 N MET A 57 10.936 -5.184 -8.845 1.00 0.00 N ATOM 947 CA MET A 57 10.765 -3.811 -9.386 1.00 0.00 C ATOM 948 C MET A 57 10.041 -3.897 -10.731 1.00 0.00 C ATOM 949 O MET A 57 9.270 -3.031 -11.089 1.00 0.00 O ATOM 950 CB MET A 57 12.138 -3.162 -9.577 1.00 0.00 C ATOM 951 CG MET A 57 12.697 -2.720 -8.219 1.00 0.00 C ATOM 952 SD MET A 57 14.414 -2.183 -8.429 1.00 0.00 S ATOM 953 CE MET A 57 14.110 -0.399 -8.416 1.00 0.00 C ATOM 0 H MET A 57 11.902 -5.499 -8.760 1.00 0.00 H new ATOM 0 HA MET A 57 10.180 -3.207 -8.692 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.821 -3.868 -10.050 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.055 -2.303 -10.243 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.096 -1.907 -7.812 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.645 -3.543 -7.506 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.032 0.129 -8.658 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.347 -0.155 -9.155 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.767 -0.096 -7.427 1.00 0.00 H new ATOM 963 N GLU A 58 10.279 -4.944 -11.472 1.00 0.00 N ATOM 964 CA GLU A 58 9.597 -5.093 -12.789 1.00 0.00 C ATOM 965 C GLU A 58 8.107 -5.335 -12.559 1.00 0.00 C ATOM 966 O GLU A 58 7.272 -4.908 -13.330 1.00 0.00 O ATOM 967 CB GLU A 58 10.201 -6.279 -13.545 1.00 0.00 C ATOM 968 CG GLU A 58 11.574 -5.890 -14.103 1.00 0.00 C ATOM 969 CD GLU A 58 11.398 -5.022 -15.351 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.915 -5.538 -16.344 1.00 0.00 O ATOM 971 OE2 GLU A 58 11.749 -3.854 -15.291 1.00 0.00 O ATOM 0 H GLU A 58 10.915 -5.702 -11.223 1.00 0.00 H new ATOM 0 HA GLU A 58 9.732 -4.185 -13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.298 -7.136 -12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.539 -6.580 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.143 -5.347 -13.348 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.144 -6.786 -14.349 1.00 0.00 H new ATOM 978 N THR A 59 7.768 -6.016 -11.499 1.00 0.00 N ATOM 979 CA THR A 59 6.330 -6.282 -11.214 1.00 0.00 C ATOM 980 C THR A 59 5.713 -5.077 -10.507 1.00 0.00 C ATOM 981 O THR A 59 4.526 -4.832 -10.605 1.00 0.00 O ATOM 982 CB THR A 59 6.200 -7.510 -10.313 1.00 0.00 C ATOM 983 OG1 THR A 59 6.783 -8.634 -10.958 1.00 0.00 O ATOM 984 CG2 THR A 59 4.719 -7.781 -10.043 1.00 0.00 C ATOM 0 H THR A 59 8.424 -6.399 -10.819 1.00 0.00 H new ATOM 0 HA THR A 59 5.810 -6.461 -12.155 1.00 0.00 H new ATOM 0 HB THR A 59 6.715 -7.331 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.436 -9.458 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.620 -8.656 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.275 -6.917 -9.549 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.205 -7.964 -10.986 1.00 0.00 H new ATOM 992 N LEU A 60 6.503 -4.328 -9.780 1.00 0.00 N ATOM 993 CA LEU A 60 5.955 -3.143 -9.046 1.00 0.00 C ATOM 994 C LEU A 60 6.184 -1.865 -9.859 1.00 0.00 C ATOM 995 O LEU A 60 5.285 -1.064 -10.014 1.00 0.00 O ATOM 996 CB LEU A 60 6.652 -3.029 -7.681 1.00 0.00 C ATOM 997 CG LEU A 60 5.914 -3.881 -6.634 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.538 -3.260 -6.291 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.722 -5.309 -7.168 1.00 0.00 C ATOM 0 H LEU A 60 7.504 -4.484 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 60 4.883 -3.273 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.687 -3.359 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.675 -1.987 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 60 6.516 -3.910 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.034 -3.879 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.681 -2.257 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.928 -3.206 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.199 -5.909 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.135 -5.278 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.695 -5.754 -7.374 1.00 0.00 H new ATOM 1011 N ASP A 61 7.358 -1.655 -10.389 1.00 0.00 N ATOM 1012 CA ASP A 61 7.586 -0.421 -11.194 1.00 0.00 C ATOM 1013 C ASP A 61 6.558 -0.368 -12.310 1.00 0.00 C ATOM 1014 O ASP A 61 6.654 -1.053 -13.310 1.00 0.00 O ATOM 1015 CB ASP A 61 8.998 -0.457 -11.764 1.00 0.00 C ATOM 1016 CG ASP A 61 9.361 0.919 -12.318 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.542 1.813 -12.211 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.452 1.052 -12.842 1.00 0.00 O ATOM 0 H ASP A 61 8.162 -2.277 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 61 7.480 0.469 -10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.707 -0.747 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.064 -1.207 -12.552 1.00 0.00 H new ATOM 1023 N GLU A 62 5.561 0.446 -12.124 1.00 0.00 N ATOM 1024 CA GLU A 62 4.482 0.574 -13.142 1.00 0.00 C ATOM 1025 C GLU A 62 4.870 1.668 -14.120 1.00 0.00 C ATOM 1026 O GLU A 62 4.741 1.519 -15.319 1.00 0.00 O ATOM 1027 CB GLU A 62 3.158 0.925 -12.449 1.00 0.00 C ATOM 1028 CG GLU A 62 2.522 -0.347 -11.878 1.00 0.00 C ATOM 1029 CD GLU A 62 1.993 -1.211 -13.025 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.104 -0.754 -13.723 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.489 -2.315 -13.186 1.00 0.00 O ATOM 0 H GLU A 62 5.445 1.036 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 62 4.354 -0.367 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.334 1.645 -11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.478 1.396 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.257 -0.905 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.710 -0.087 -11.199 1.00 0.00 H new ATOM 1038 N ASP A 63 5.367 2.758 -13.625 1.00 0.00 N ATOM 1039 CA ASP A 63 5.787 3.841 -14.541 1.00 0.00 C ATOM 1040 C ASP A 63 7.112 3.427 -15.169 1.00 0.00 C ATOM 1041 O ASP A 63 7.656 4.117 -16.007 1.00 0.00 O ATOM 1042 CB ASP A 63 5.964 5.147 -13.763 1.00 0.00 C ATOM 1043 CG ASP A 63 6.703 4.870 -12.453 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.387 3.864 -12.384 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.570 5.669 -11.541 1.00 0.00 O ATOM 0 H ASP A 63 5.500 2.945 -12.631 1.00 0.00 H new ATOM 0 HA ASP A 63 5.032 4.003 -15.311 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.523 5.866 -14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.991 5.593 -13.556 1.00 0.00 H new ATOM 1050 N GLY A 64 7.644 2.295 -14.769 1.00 0.00 N ATOM 1051 CA GLY A 64 8.937 1.854 -15.356 1.00 0.00 C ATOM 1052 C GLY A 64 9.964 2.949 -15.112 1.00 0.00 C ATOM 1053 O GLY A 64 10.738 3.299 -15.982 1.00 0.00 O ATOM 0 H GLY A 64 7.241 1.670 -14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.262 0.919 -14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.826 1.667 -16.424 1.00 0.00 H new ATOM 1057 N ASP A 65 9.968 3.504 -13.931 1.00 0.00 N ATOM 1058 CA ASP A 65 10.937 4.597 -13.622 1.00 0.00 C ATOM 1059 C ASP A 65 12.193 3.994 -13.004 1.00 0.00 C ATOM 1060 O ASP A 65 13.164 4.680 -12.751 1.00 0.00 O ATOM 1061 CB ASP A 65 10.300 5.573 -12.629 1.00 0.00 C ATOM 1062 CG ASP A 65 9.844 4.807 -11.387 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.987 3.595 -11.379 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.359 5.444 -10.466 1.00 0.00 O ATOM 0 H ASP A 65 9.343 3.249 -13.166 1.00 0.00 H new ATOM 0 HA ASP A 65 11.198 5.127 -14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.017 6.346 -12.351 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.451 6.077 -13.091 1.00 0.00 H new ATOM 1069 N GLY A 66 12.181 2.716 -12.747 1.00 0.00 N ATOM 1070 CA GLY A 66 13.379 2.077 -12.133 1.00 0.00 C ATOM 1071 C GLY A 66 13.351 2.347 -10.635 1.00 0.00 C ATOM 1072 O GLY A 66 14.241 1.971 -9.901 1.00 0.00 O ATOM 0 H GLY A 66 11.399 2.089 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.377 1.004 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.291 2.479 -12.574 1.00 0.00 H new ATOM 1076 N GLU A 67 12.314 2.997 -10.185 1.00 0.00 N ATOM 1077 CA GLU A 67 12.168 3.307 -8.736 1.00 0.00 C ATOM 1078 C GLU A 67 10.731 2.991 -8.337 1.00 0.00 C ATOM 1079 O GLU A 67 9.897 2.734 -9.182 1.00 0.00 O ATOM 1080 CB GLU A 67 12.459 4.791 -8.498 1.00 0.00 C ATOM 1081 CG GLU A 67 13.810 5.154 -9.119 1.00 0.00 C ATOM 1082 CD GLU A 67 14.272 6.510 -8.579 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.617 7.496 -8.874 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.273 6.539 -7.881 1.00 0.00 O ATOM 0 H GLU A 67 11.549 3.332 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 67 12.866 2.716 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.670 5.402 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.470 5.003 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.548 4.387 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.724 5.193 -10.205 1.00 0.00 H new ATOM 1091 N CYS A 68 10.432 2.990 -7.064 1.00 0.00 N ATOM 1092 CA CYS A 68 9.038 2.670 -6.612 1.00 0.00 C ATOM 1093 C CYS A 68 8.454 3.847 -5.820 1.00 0.00 C ATOM 1094 O CYS A 68 8.679 3.985 -4.631 1.00 0.00 O ATOM 1095 CB CYS A 68 9.072 1.405 -5.733 1.00 0.00 C ATOM 1096 SG CYS A 68 10.446 0.351 -6.259 1.00 0.00 S ATOM 0 H CYS A 68 11.092 3.197 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 68 8.406 2.493 -7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.189 1.679 -4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.130 0.864 -5.817 1.00 0.00 H new ATOM 0 HG CYS A 68 10.150 -0.894 -6.030 1.00 0.00 H new ATOM 1102 N ASP A 69 7.711 4.701 -6.479 1.00 0.00 N ATOM 1103 CA ASP A 69 7.103 5.861 -5.769 1.00 0.00 C ATOM 1104 C ASP A 69 6.312 5.329 -4.573 1.00 0.00 C ATOM 1105 O ASP A 69 6.350 4.155 -4.285 1.00 0.00 O ATOM 1106 CB ASP A 69 6.165 6.611 -6.718 1.00 0.00 C ATOM 1107 CG ASP A 69 6.929 7.017 -7.979 1.00 0.00 C ATOM 1108 OD1 ASP A 69 8.122 6.766 -8.032 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.309 7.573 -8.871 1.00 0.00 O ATOM 0 H ASP A 69 7.501 4.643 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 69 7.880 6.546 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.317 5.979 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.762 7.495 -6.224 1.00 0.00 H new ATOM 1114 N PHE A 70 5.605 6.173 -3.870 1.00 0.00 N ATOM 1115 CA PHE A 70 4.831 5.694 -2.684 1.00 0.00 C ATOM 1116 C PHE A 70 3.650 4.798 -3.129 1.00 0.00 C ATOM 1117 O PHE A 70 3.545 3.650 -2.742 1.00 0.00 O ATOM 1118 CB PHE A 70 4.299 6.918 -1.907 1.00 0.00 C ATOM 1119 CG PHE A 70 4.206 6.637 -0.408 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.917 5.349 0.078 1.00 0.00 C ATOM 1121 CD2 PHE A 70 4.394 7.689 0.501 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.818 5.124 1.456 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.293 7.458 1.879 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.004 6.177 2.355 1.00 0.00 C ATOM 0 H PHE A 70 5.529 7.172 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 70 5.485 5.102 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.956 7.771 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.315 7.192 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.771 4.532 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.617 8.681 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.597 4.133 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.439 8.271 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.924 6.001 3.418 1.00 0.00 H new ATOM 1134 N GLN A 71 2.749 5.334 -3.904 1.00 0.00 N ATOM 1135 CA GLN A 71 1.549 4.563 -4.343 1.00 0.00 C ATOM 1136 C GLN A 71 1.905 3.140 -4.793 1.00 0.00 C ATOM 1137 O GLN A 71 1.195 2.203 -4.481 1.00 0.00 O ATOM 1138 CB GLN A 71 0.816 5.310 -5.477 1.00 0.00 C ATOM 1139 CG GLN A 71 1.799 5.848 -6.524 1.00 0.00 C ATOM 1140 CD GLN A 71 2.337 4.695 -7.373 1.00 0.00 C ATOM 1141 OE1 GLN A 71 3.524 4.606 -7.613 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.506 3.802 -7.839 1.00 0.00 N ATOM 0 H GLN A 71 2.793 6.289 -4.258 1.00 0.00 H new ATOM 0 HA GLN A 71 0.889 4.477 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.104 4.638 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.241 6.136 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.301 6.579 -7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.623 6.364 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.509 3.878 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.854 3.028 -8.405 1.00 0.00 H new ATOM 1151 N GLU A 72 2.993 2.937 -5.490 1.00 0.00 N ATOM 1152 CA GLU A 72 3.337 1.544 -5.912 1.00 0.00 C ATOM 1153 C GLU A 72 4.208 0.902 -4.834 1.00 0.00 C ATOM 1154 O GLU A 72 4.077 -0.264 -4.531 1.00 0.00 O ATOM 1155 CB GLU A 72 4.041 1.571 -7.280 1.00 0.00 C ATOM 1156 CG GLU A 72 5.521 1.984 -7.147 1.00 0.00 C ATOM 1157 CD GLU A 72 5.985 2.681 -8.432 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.873 2.076 -9.485 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.442 3.809 -8.339 1.00 0.00 O ATOM 0 H GLU A 72 3.649 3.661 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 72 2.433 0.945 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.977 0.586 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.526 2.268 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.646 2.652 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.137 1.105 -6.956 1.00 0.00 H new ATOM 1166 N PHE A 73 5.085 1.647 -4.231 1.00 0.00 N ATOM 1167 CA PHE A 73 5.931 1.059 -3.157 1.00 0.00 C ATOM 1168 C PHE A 73 5.011 0.407 -2.136 1.00 0.00 C ATOM 1169 O PHE A 73 5.231 -0.700 -1.702 1.00 0.00 O ATOM 1170 CB PHE A 73 6.747 2.170 -2.502 1.00 0.00 C ATOM 1171 CG PHE A 73 7.337 1.748 -1.171 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.812 0.443 -0.961 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.432 2.697 -0.145 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.374 0.097 0.274 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.999 2.350 1.084 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.469 1.052 1.294 1.00 0.00 C ATOM 0 H PHE A 73 5.254 2.633 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 73 6.616 0.314 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.551 2.470 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.112 3.044 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.744 -0.292 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.066 3.700 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.735 -0.907 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.074 3.086 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.906 0.784 2.244 1.00 0.00 H new ATOM 1186 N MET A 74 3.957 1.070 -1.771 1.00 0.00 N ATOM 1187 CA MET A 74 3.015 0.450 -0.813 1.00 0.00 C ATOM 1188 C MET A 74 2.529 -0.841 -1.462 1.00 0.00 C ATOM 1189 O MET A 74 2.438 -1.879 -0.838 1.00 0.00 O ATOM 1190 CB MET A 74 1.840 1.420 -0.564 1.00 0.00 C ATOM 1191 CG MET A 74 1.430 1.426 0.920 1.00 0.00 C ATOM 1192 SD MET A 74 -0.311 1.904 1.058 1.00 0.00 S ATOM 1193 CE MET A 74 -0.407 1.931 2.864 1.00 0.00 C ATOM 0 H MET A 74 3.709 2.006 -2.092 1.00 0.00 H new ATOM 0 HA MET A 74 3.482 0.239 0.149 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.125 2.427 -0.870 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.988 1.129 -1.179 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.584 0.439 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.055 2.122 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.419 1.676 3.178 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.295 1.206 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.154 2.927 3.227 1.00 0.00 H new ATOM 1203 N ALA A 75 2.197 -0.763 -2.720 1.00 0.00 N ATOM 1204 CA ALA A 75 1.691 -1.984 -3.417 1.00 0.00 C ATOM 1205 C ALA A 75 2.652 -3.150 -3.163 1.00 0.00 C ATOM 1206 O ALA A 75 2.281 -4.303 -3.270 1.00 0.00 O ATOM 1207 CB ALA A 75 1.575 -1.733 -4.917 1.00 0.00 C ATOM 0 H ALA A 75 2.252 0.080 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 75 0.703 -2.229 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.205 -2.633 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.882 -0.911 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.555 -1.476 -5.320 1.00 0.00 H new ATOM 1213 N PHE A 76 3.877 -2.867 -2.807 1.00 0.00 N ATOM 1214 CA PHE A 76 4.827 -3.987 -2.530 1.00 0.00 C ATOM 1215 C PHE A 76 4.490 -4.575 -1.165 1.00 0.00 C ATOM 1216 O PHE A 76 4.335 -5.768 -1.013 1.00 0.00 O ATOM 1217 CB PHE A 76 6.285 -3.498 -2.528 1.00 0.00 C ATOM 1218 CG PHE A 76 7.189 -4.613 -2.031 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.229 -5.839 -2.708 1.00 0.00 C ATOM 1220 CD2 PHE A 76 7.974 -4.424 -0.883 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.051 -6.871 -2.241 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.793 -5.458 -0.416 1.00 0.00 C ATOM 1223 CZ PHE A 76 8.831 -6.681 -1.095 1.00 0.00 C ATOM 0 H PHE A 76 4.257 -1.927 -2.697 1.00 0.00 H new ATOM 0 HA PHE A 76 4.726 -4.738 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.580 -3.196 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.385 -2.621 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.625 -5.988 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.946 -3.480 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.083 -7.815 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.396 -5.312 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.463 -7.479 -0.734 1.00 0.00 H new ATOM 1233 N VAL A 77 4.362 -3.744 -0.178 1.00 0.00 N ATOM 1234 CA VAL A 77 4.023 -4.247 1.174 1.00 0.00 C ATOM 1235 C VAL A 77 2.731 -5.058 1.107 1.00 0.00 C ATOM 1236 O VAL A 77 2.594 -6.085 1.735 1.00 0.00 O ATOM 1237 CB VAL A 77 3.815 -3.064 2.103 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.426 -3.581 3.484 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.109 -2.263 2.200 1.00 0.00 C ATOM 0 H VAL A 77 4.478 -2.733 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 77 4.832 -4.877 1.543 1.00 0.00 H new ATOM 0 HB VAL A 77 3.024 -2.422 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.274 -2.738 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.504 -4.157 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.221 -4.217 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.962 -1.413 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.902 -2.899 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.389 -1.903 1.210 1.00 0.00 H new ATOM 1249 N SER A 78 1.781 -4.603 0.347 1.00 0.00 N ATOM 1250 CA SER A 78 0.507 -5.347 0.239 1.00 0.00 C ATOM 1251 C SER A 78 0.777 -6.648 -0.511 1.00 0.00 C ATOM 1252 O SER A 78 0.075 -7.626 -0.367 1.00 0.00 O ATOM 1253 CB SER A 78 -0.540 -4.499 -0.499 1.00 0.00 C ATOM 1254 OG SER A 78 0.115 -3.443 -1.177 1.00 0.00 O ATOM 0 H SER A 78 1.834 -3.746 -0.204 1.00 0.00 H new ATOM 0 HA SER A 78 0.114 -5.570 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.092 -5.116 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.266 -4.099 0.208 1.00 0.00 H new ATOM 0 HG SER A 78 0.404 -2.767 -0.529 1.00 0.00 H new ATOM 1260 N MET A 79 1.803 -6.656 -1.305 1.00 0.00 N ATOM 1261 CA MET A 79 2.151 -7.881 -2.075 1.00 0.00 C ATOM 1262 C MET A 79 2.743 -8.918 -1.128 1.00 0.00 C ATOM 1263 O MET A 79 2.564 -10.107 -1.304 1.00 0.00 O ATOM 1264 CB MET A 79 3.171 -7.524 -3.159 1.00 0.00 C ATOM 1265 CG MET A 79 3.276 -8.663 -4.175 1.00 0.00 C ATOM 1266 SD MET A 79 4.825 -8.491 -5.098 1.00 0.00 S ATOM 1267 CE MET A 79 4.270 -9.284 -6.626 1.00 0.00 C ATOM 0 H MET A 79 2.423 -5.861 -1.457 1.00 0.00 H new ATOM 0 HA MET A 79 1.256 -8.291 -2.544 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.873 -6.604 -3.662 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.145 -7.339 -2.706 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.247 -9.626 -3.665 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.427 -8.638 -4.858 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.129 -9.480 -7.267 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.772 -10.224 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.573 -8.626 -7.145 1.00 0.00 H new ATOM 1277 N VAL A 80 3.415 -8.482 -0.096 1.00 0.00 N ATOM 1278 CA VAL A 80 3.973 -9.448 0.880 1.00 0.00 C ATOM 1279 C VAL A 80 2.857 -9.709 1.872 1.00 0.00 C ATOM 1280 O VAL A 80 2.703 -10.797 2.392 1.00 0.00 O ATOM 1281 CB VAL A 80 5.241 -8.884 1.588 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.940 -7.864 0.690 1.00 0.00 C ATOM 1283 CG2 VAL A 80 4.889 -8.204 2.921 1.00 0.00 C ATOM 0 H VAL A 80 3.599 -7.500 0.109 1.00 0.00 H new ATOM 0 HA VAL A 80 4.299 -10.365 0.389 1.00 0.00 H new ATOM 0 HB VAL A 80 5.902 -9.728 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.824 -7.478 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.237 -8.344 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.258 -7.042 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.798 -7.823 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.201 -7.378 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.418 -8.928 3.585 1.00 0.00 H new ATOM 1293 N THR A 81 2.053 -8.706 2.119 1.00 0.00 N ATOM 1294 CA THR A 81 0.925 -8.904 3.054 1.00 0.00 C ATOM 1295 C THR A 81 -0.016 -9.904 2.416 1.00 0.00 C ATOM 1296 O THR A 81 -0.566 -10.765 3.074 1.00 0.00 O ATOM 1297 CB THR A 81 0.182 -7.581 3.267 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.116 -6.547 3.539 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.805 -7.699 4.431 1.00 0.00 C ATOM 0 H THR A 81 2.134 -7.773 1.715 1.00 0.00 H new ATOM 0 HA THR A 81 1.287 -9.259 4.019 1.00 0.00 H new ATOM 0 HB THR A 81 -0.374 -7.344 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.536 -6.257 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.323 -6.750 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.532 -8.481 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.264 -7.950 5.343 1.00 0.00 H new ATOM 1307 N THR A 82 -0.223 -9.792 1.128 1.00 0.00 N ATOM 1308 CA THR A 82 -1.148 -10.734 0.449 1.00 0.00 C ATOM 1309 C THR A 82 -0.666 -12.170 0.639 1.00 0.00 C ATOM 1310 O THR A 82 -1.447 -13.058 0.913 1.00 0.00 O ATOM 1311 CB THR A 82 -1.190 -10.391 -1.043 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.139 -10.225 -1.517 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.981 -9.086 -1.262 1.00 0.00 C ATOM 0 H THR A 82 0.208 -9.092 0.525 1.00 0.00 H new ATOM 0 HA THR A 82 -2.146 -10.644 0.879 1.00 0.00 H new ATOM 0 HB THR A 82 -1.681 -11.198 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.771 -10.407 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.006 -8.850 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.999 -9.212 -0.894 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.498 -8.273 -0.721 1.00 0.00 H new ATOM 1321 N ALA A 83 0.612 -12.419 0.518 1.00 0.00 N ATOM 1322 CA ALA A 83 1.100 -13.808 0.720 1.00 0.00 C ATOM 1323 C ALA A 83 0.703 -14.250 2.123 1.00 0.00 C ATOM 1324 O ALA A 83 0.281 -15.368 2.342 1.00 0.00 O ATOM 1325 CB ALA A 83 2.624 -13.845 0.583 1.00 0.00 C ATOM 0 H ALA A 83 1.328 -11.729 0.291 1.00 0.00 H new ATOM 0 HA ALA A 83 0.664 -14.473 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.978 -14.865 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.908 -13.504 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.073 -13.192 1.332 1.00 0.00 H new ATOM 1331 N CYS A 84 0.822 -13.368 3.079 1.00 0.00 N ATOM 1332 CA CYS A 84 0.436 -13.730 4.471 1.00 0.00 C ATOM 1333 C CYS A 84 -1.062 -14.035 4.503 1.00 0.00 C ATOM 1334 O CYS A 84 -1.568 -14.635 5.433 1.00 0.00 O ATOM 1335 CB CYS A 84 0.742 -12.560 5.410 1.00 0.00 C ATOM 1336 SG CYS A 84 0.646 -13.124 7.128 1.00 0.00 S ATOM 0 H CYS A 84 1.168 -12.417 2.956 1.00 0.00 H new ATOM 0 HA CYS A 84 1.000 -14.604 4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.735 -12.163 5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.033 -11.750 5.242 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.318 -13.988 7.248 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.776 -13.628 3.486 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.248 -13.887 3.429 1.00 0.00 C ATOM 1344 C HIS A 85 -3.505 -15.102 2.532 1.00 0.00 C ATOM 1345 O HIS A 85 -4.407 -15.882 2.769 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.948 -12.649 2.847 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.379 -12.970 2.499 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.997 -12.446 1.374 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.322 -13.755 3.114 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.257 -12.917 1.346 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.509 -13.720 2.382 1.00 0.00 N ATOM 0 H HIS A 85 -1.400 -13.122 2.684 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.637 -14.087 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.917 -11.833 3.569 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.418 -12.308 1.957 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.573 -11.817 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.169 -14.314 4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.977 -12.675 0.578 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.720 -15.265 1.503 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.918 -16.426 0.590 1.00 0.00 C ATOM 1361 C GLU A 86 -2.374 -17.695 1.250 1.00 0.00 C ATOM 1362 O GLU A 86 -2.922 -18.769 1.103 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.172 -16.169 -0.722 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.245 -17.414 -1.608 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.858 -17.044 -3.043 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -1.577 -15.880 -3.279 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.851 -17.931 -3.882 1.00 0.00 O ATOM 0 H GLU A 86 -1.950 -14.644 1.255 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.981 -16.554 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.610 -15.316 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.132 -15.917 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.575 -18.184 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.253 -17.829 -1.587 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.301 -17.576 1.979 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.717 -18.770 2.654 1.00 0.00 C ATOM 1376 C PHE A 87 -1.694 -19.285 3.715 1.00 0.00 C ATOM 1377 O PHE A 87 -2.044 -20.447 3.737 1.00 0.00 O ATOM 1378 CB PHE A 87 0.603 -18.378 3.320 1.00 0.00 C ATOM 1379 CG PHE A 87 1.264 -19.607 3.899 1.00 0.00 C ATOM 1380 CD1 PHE A 87 2.088 -20.404 3.095 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.055 -19.947 5.241 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.702 -21.541 3.633 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.669 -21.085 5.778 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.493 -21.882 4.974 1.00 0.00 C ATOM 0 H PHE A 87 -0.801 -16.701 2.138 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.536 -19.554 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.263 -17.907 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.422 -17.646 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.250 -20.141 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.420 -19.332 5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.338 -22.156 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.507 -21.348 6.813 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.967 -22.759 5.389 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.133 -18.427 4.595 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.085 -18.867 5.655 1.00 0.00 C ATOM 1396 C PHE A 88 -4.371 -19.380 5.006 1.00 0.00 C ATOM 1397 O PHE A 88 -4.844 -20.457 5.310 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.411 -17.681 6.566 1.00 0.00 C ATOM 1399 CG PHE A 88 -4.114 -18.175 7.807 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -5.506 -18.319 7.813 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -3.372 -18.489 8.953 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -6.158 -18.775 8.967 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -4.024 -18.945 10.104 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.416 -19.087 10.112 1.00 0.00 C ATOM 0 H PHE A 88 -1.874 -17.441 4.626 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.633 -19.666 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.495 -17.156 6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.042 -16.966 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.078 -18.079 6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.298 -18.379 8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.232 -18.886 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.452 -19.188 10.987 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.918 -19.437 11.002 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.943 -18.616 4.115 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.201 -19.053 3.445 1.00 0.00 C ATOM 1416 C GLU A 89 -5.860 -19.980 2.276 1.00 0.00 C ATOM 1417 O GLU A 89 -6.604 -20.092 1.322 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.953 -17.816 2.931 1.00 0.00 C ATOM 1419 CG GLU A 89 -8.429 -18.155 2.684 1.00 0.00 C ATOM 1420 CD GLU A 89 -9.205 -16.869 2.388 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -8.675 -16.028 1.680 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.317 -16.747 2.875 1.00 0.00 O ATOM 0 H GLU A 89 -4.592 -17.705 3.821 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.831 -19.591 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.875 -17.007 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.495 -17.461 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.519 -18.848 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.850 -18.654 3.557 1.00 0.00 H new ATOM 1429 N HIS A 90 -4.742 -20.649 2.341 1.00 0.00 N ATOM 1430 CA HIS A 90 -4.365 -21.564 1.230 1.00 0.00 C ATOM 1431 C HIS A 90 -5.323 -22.757 1.213 1.00 0.00 C ATOM 1432 O HIS A 90 -5.190 -23.685 1.984 1.00 0.00 O ATOM 1433 CB HIS A 90 -2.934 -22.064 1.442 1.00 0.00 C ATOM 1434 CG HIS A 90 -2.572 -23.028 0.348 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -2.395 -24.385 0.585 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -2.351 -22.851 -0.997 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -2.082 -24.965 -0.589 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -2.043 -24.073 -1.581 1.00 0.00 N ATOM 0 H HIS A 90 -4.076 -20.601 3.112 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.425 -21.031 0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.240 -21.223 1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.848 -22.551 2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.408 -21.907 -1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.887 -26.020 -0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.831 -24.251 -2.563 1.00 0.00 H new ATOM 1447 N GLU A 91 -6.288 -22.736 0.336 1.00 0.00 N ATOM 1448 CA GLU A 91 -7.258 -23.866 0.264 1.00 0.00 C ATOM 1449 C GLU A 91 -6.549 -25.102 -0.295 1.00 0.00 C ATOM 1450 O GLU A 91 -6.451 -26.083 0.424 1.00 0.00 O ATOM 1451 CB GLU A 91 -8.424 -23.475 -0.653 1.00 0.00 C ATOM 1452 CG GLU A 91 -9.413 -24.642 -0.790 1.00 0.00 C ATOM 1453 CD GLU A 91 -9.936 -25.046 0.591 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -10.914 -24.462 1.026 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -9.351 -25.934 1.188 1.00 0.00 O ATOM 1456 OXT GLU A 91 -6.114 -25.046 -1.434 1.00 0.00 O ATOM 0 H GLU A 91 -6.447 -21.985 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.643 -24.089 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.936 -22.602 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.044 -23.195 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.244 -24.352 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.923 -25.491 -1.266 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 9.593 -1.794 16.833 1.00 0.00 N ATOM 1465 CA MET B 0 10.546 -2.709 16.143 1.00 0.00 C ATOM 1466 C MET B 0 10.187 -2.794 14.655 1.00 0.00 C ATOM 1467 O MET B 0 10.682 -2.038 13.843 1.00 0.00 O ATOM 1468 CB MET B 0 10.457 -4.105 16.767 1.00 0.00 C ATOM 1469 CG MET B 0 10.903 -4.041 18.229 1.00 0.00 C ATOM 1470 SD MET B 0 11.155 -5.720 18.856 1.00 0.00 S ATOM 1471 CE MET B 0 9.452 -6.029 19.381 1.00 0.00 C ATOM 0 H1 MET B 0 9.950 -1.575 17.785 1.00 0.00 H new ATOM 0 H2 MET B 0 9.500 -0.914 16.287 1.00 0.00 H new ATOM 0 H3 MET B 0 8.663 -2.254 16.909 1.00 0.00 H new ATOM 0 HA MET B 0 11.560 -2.325 16.252 1.00 0.00 H new ATOM 0 HB2 MET B 0 9.435 -4.479 16.704 1.00 0.00 H new ATOM 0 HB3 MET B 0 11.086 -4.803 16.214 1.00 0.00 H new ATOM 0 HG2 MET B 0 11.826 -3.467 18.314 1.00 0.00 H new ATOM 0 HG3 MET B 0 10.151 -3.527 18.828 1.00 0.00 H new ATOM 0 HE1 MET B 0 9.378 -7.030 19.807 1.00 0.00 H new ATOM 0 HE2 MET B 0 9.163 -5.293 20.131 1.00 0.00 H new ATOM 0 HE3 MET B 0 8.786 -5.951 18.521 1.00 0.00 H new ATOM 1483 N SER B 1 9.327 -3.711 14.298 1.00 0.00 N ATOM 1484 CA SER B 1 8.930 -3.852 12.862 1.00 0.00 C ATOM 1485 C SER B 1 7.681 -3.003 12.592 1.00 0.00 C ATOM 1486 O SER B 1 6.568 -3.487 12.608 1.00 0.00 O ATOM 1487 CB SER B 1 8.655 -5.329 12.539 1.00 0.00 C ATOM 1488 OG SER B 1 8.176 -5.983 13.706 1.00 0.00 O ATOM 0 H SER B 1 8.881 -4.369 14.937 1.00 0.00 H new ATOM 0 HA SER B 1 9.741 -3.503 12.223 1.00 0.00 H new ATOM 0 HB2 SER B 1 7.921 -5.407 11.737 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.566 -5.812 12.186 1.00 0.00 H new ATOM 0 HG SER B 1 7.998 -6.925 13.503 1.00 0.00 H new ATOM 1494 N GLU B 2 7.873 -1.742 12.338 1.00 0.00 N ATOM 1495 CA GLU B 2 6.715 -0.848 12.055 1.00 0.00 C ATOM 1496 C GLU B 2 5.859 -1.472 10.946 1.00 0.00 C ATOM 1497 O GLU B 2 4.655 -1.312 10.911 1.00 0.00 O ATOM 1498 CB GLU B 2 7.230 0.519 11.595 1.00 0.00 C ATOM 1499 CG GLU B 2 7.792 1.283 12.794 1.00 0.00 C ATOM 1500 CD GLU B 2 8.367 2.621 12.322 1.00 0.00 C ATOM 1501 OE1 GLU B 2 7.587 3.532 12.100 1.00 0.00 O ATOM 1502 OE2 GLU B 2 9.576 2.710 12.190 1.00 0.00 O ATOM 0 H GLU B 2 8.786 -1.288 12.314 1.00 0.00 H new ATOM 0 HA GLU B 2 6.115 -0.724 12.956 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.003 0.392 10.837 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.422 1.088 11.134 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.007 1.452 13.531 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.568 0.694 13.283 1.00 0.00 H new ATOM 1509 N LEU B 3 6.480 -2.166 10.031 1.00 0.00 N ATOM 1510 CA LEU B 3 5.719 -2.787 8.906 1.00 0.00 C ATOM 1511 C LEU B 3 4.885 -3.980 9.412 1.00 0.00 C ATOM 1512 O LEU B 3 3.947 -4.404 8.765 1.00 0.00 O ATOM 1513 CB LEU B 3 6.718 -3.261 7.824 1.00 0.00 C ATOM 1514 CG LEU B 3 6.760 -2.290 6.626 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.414 -2.281 5.885 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.104 -0.870 7.096 1.00 0.00 C ATOM 0 H LEU B 3 7.486 -2.331 10.013 1.00 0.00 H new ATOM 0 HA LEU B 3 5.038 -2.049 8.482 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.714 -3.346 8.259 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.436 -4.255 7.478 1.00 0.00 H new ATOM 0 HG LEU B 3 7.535 -2.634 5.941 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.466 -1.590 5.044 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.194 -3.283 5.517 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.625 -1.964 6.567 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.129 -0.199 6.238 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.348 -0.527 7.802 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.080 -0.874 7.582 1.00 0.00 H new ATOM 1528 N GLU B 4 5.212 -4.529 10.548 1.00 0.00 N ATOM 1529 CA GLU B 4 4.427 -5.689 11.061 1.00 0.00 C ATOM 1530 C GLU B 4 3.046 -5.200 11.501 1.00 0.00 C ATOM 1531 O GLU B 4 2.053 -5.882 11.346 1.00 0.00 O ATOM 1532 CB GLU B 4 5.168 -6.321 12.248 1.00 0.00 C ATOM 1533 CG GLU B 4 4.254 -7.317 12.987 1.00 0.00 C ATOM 1534 CD GLU B 4 3.397 -6.575 14.020 1.00 0.00 C ATOM 1535 OE1 GLU B 4 3.911 -6.284 15.087 1.00 0.00 O ATOM 1536 OE2 GLU B 4 2.242 -6.313 13.727 1.00 0.00 O ATOM 0 H GLU B 4 5.985 -4.228 11.142 1.00 0.00 H new ATOM 0 HA GLU B 4 4.311 -6.438 10.278 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.063 -6.833 11.895 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.497 -5.542 12.935 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.612 -7.833 12.273 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.857 -8.078 13.482 1.00 0.00 H new ATOM 1543 N LYS B 5 2.983 -4.023 12.049 1.00 0.00 N ATOM 1544 CA LYS B 5 1.676 -3.477 12.506 1.00 0.00 C ATOM 1545 C LYS B 5 0.832 -3.082 11.292 1.00 0.00 C ATOM 1546 O LYS B 5 -0.337 -3.400 11.205 1.00 0.00 O ATOM 1547 CB LYS B 5 1.937 -2.247 13.391 1.00 0.00 C ATOM 1548 CG LYS B 5 2.311 -2.701 14.825 1.00 0.00 C ATOM 1549 CD LYS B 5 3.409 -1.795 15.412 1.00 0.00 C ATOM 1550 CE LYS B 5 4.789 -2.286 14.958 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.819 -1.266 15.302 1.00 0.00 N ATOM 0 H LYS B 5 3.784 -3.411 12.202 1.00 0.00 H new ATOM 0 HA LYS B 5 1.135 -4.231 13.078 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.743 -1.648 12.968 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.050 -1.614 13.420 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.428 -2.671 15.463 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.656 -3.735 14.806 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.255 -0.766 15.088 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.352 -1.799 16.501 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.026 -3.234 15.441 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.786 -2.467 13.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.729 -1.534 14.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.525 -0.338 14.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.923 -1.212 16.335 1.00 0.00 H new ATOM 1565 N ALA B 6 1.414 -2.380 10.363 1.00 0.00 N ATOM 1566 CA ALA B 6 0.642 -1.949 9.160 1.00 0.00 C ATOM 1567 C ALA B 6 0.060 -3.159 8.434 1.00 0.00 C ATOM 1568 O ALA B 6 -1.131 -3.246 8.211 1.00 0.00 O ATOM 1569 CB ALA B 6 1.563 -1.198 8.198 1.00 0.00 C ATOM 0 H ALA B 6 2.390 -2.085 10.382 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.170 -1.300 9.489 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.996 -0.885 7.321 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.973 -0.320 8.697 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.378 -1.853 7.889 1.00 0.00 H new ATOM 1575 N MET B 7 0.886 -4.086 8.051 1.00 0.00 N ATOM 1576 CA MET B 7 0.368 -5.278 7.326 1.00 0.00 C ATOM 1577 C MET B 7 -0.759 -5.912 8.138 1.00 0.00 C ATOM 1578 O MET B 7 -1.739 -6.385 7.596 1.00 0.00 O ATOM 1579 CB MET B 7 1.491 -6.307 7.134 1.00 0.00 C ATOM 1580 CG MET B 7 2.506 -5.804 6.097 1.00 0.00 C ATOM 1581 SD MET B 7 3.374 -7.223 5.372 1.00 0.00 S ATOM 1582 CE MET B 7 4.974 -6.996 6.187 1.00 0.00 C ATOM 0 H MET B 7 1.894 -4.073 8.207 1.00 0.00 H new ATOM 0 HA MET B 7 -0.005 -4.967 6.350 1.00 0.00 H new ATOM 0 HB2 MET B 7 1.992 -6.489 8.084 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.070 -7.258 6.808 1.00 0.00 H new ATOM 0 HG2 MET B 7 1.997 -5.237 5.317 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.220 -5.128 6.568 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.695 -7.703 5.777 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.327 -5.979 6.018 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.865 -7.169 7.258 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.631 -5.927 9.434 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.700 -6.531 10.279 1.00 0.00 C ATOM 1594 C VAL B 8 -2.941 -5.636 10.230 1.00 0.00 C ATOM 1595 O VAL B 8 -4.048 -6.094 10.021 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.192 -6.646 11.725 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.363 -6.907 12.682 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.192 -7.801 11.817 1.00 0.00 C ATOM 0 H VAL B 8 0.166 -5.548 9.946 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.957 -7.523 9.908 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.708 -5.711 12.008 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.988 -6.986 13.702 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -3.074 -6.084 12.620 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.859 -7.837 12.405 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.172 -7.887 12.841 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.682 -8.730 11.527 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.648 -7.609 11.149 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.756 -4.366 10.430 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.908 -3.427 10.409 1.00 0.00 C ATOM 1610 C ALA B 9 -4.671 -3.554 9.086 1.00 0.00 C ATOM 1611 O ALA B 9 -5.879 -3.414 9.042 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.390 -1.997 10.563 1.00 0.00 C ATOM 0 H ALA B 9 -1.850 -3.933 10.609 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.583 -3.669 11.230 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.230 -1.302 10.548 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.858 -1.903 11.509 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.713 -1.765 9.741 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.984 -3.799 8.000 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.692 -3.905 6.687 1.00 0.00 C ATOM 1620 C LEU B 10 -5.355 -5.281 6.527 1.00 0.00 C ATOM 1621 O LEU B 10 -6.476 -5.367 6.099 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.694 -3.672 5.533 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.551 -2.166 5.231 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -2.652 -1.510 6.281 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.925 -1.987 3.844 1.00 0.00 C ATOM 0 H LEU B 10 -2.973 -3.929 7.964 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.470 -3.143 6.658 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.722 -4.089 5.797 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.034 -4.196 4.640 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.535 -1.697 5.256 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.554 -0.446 6.063 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.093 -1.639 7.269 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.667 -1.977 6.260 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.822 -0.924 3.626 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.942 -2.458 3.825 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.565 -2.451 3.093 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.675 -6.356 6.825 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.291 -7.711 6.634 1.00 0.00 C ATOM 1639 C ILE B 11 -6.732 -7.709 7.168 1.00 0.00 C ATOM 1640 O ILE B 11 -7.647 -8.152 6.502 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.455 -8.758 7.401 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.158 -9.076 6.620 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.269 -10.047 7.619 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -3.400 -10.166 5.561 1.00 0.00 C ATOM 0 H ILE B 11 -3.723 -6.360 7.191 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.307 -7.958 5.572 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.193 -8.345 8.375 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.790 -8.171 6.137 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.384 -9.404 7.314 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.663 -10.773 8.161 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.165 -9.818 8.197 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.557 -10.463 6.654 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.471 -10.368 5.028 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.744 -11.078 6.049 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -4.157 -9.825 4.854 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.942 -7.220 8.357 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.325 -7.202 8.914 1.00 0.00 C ATOM 1658 C ASP B 12 -9.204 -6.271 8.073 1.00 0.00 C ATOM 1659 O ASP B 12 -10.299 -6.620 7.680 1.00 0.00 O ATOM 1660 CB ASP B 12 -8.288 -6.703 10.360 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.698 -6.749 10.952 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -10.459 -5.831 10.692 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.993 -7.701 11.656 1.00 0.00 O ATOM 0 H ASP B 12 -6.221 -6.833 8.966 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.738 -8.210 8.889 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.613 -7.321 10.952 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.901 -5.685 10.395 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.734 -5.087 7.800 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.536 -4.125 6.989 1.00 0.00 C ATOM 1670 C VAL B 13 -9.590 -4.601 5.529 1.00 0.00 C ATOM 1671 O VAL B 13 -10.518 -4.308 4.802 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.893 -2.730 7.070 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.781 -1.698 6.360 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.723 -2.327 8.542 1.00 0.00 C ATOM 0 H VAL B 13 -7.824 -4.741 8.105 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.552 -4.072 7.380 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.919 -2.760 6.582 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.317 -0.714 6.423 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.898 -1.978 5.313 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.760 -1.669 6.839 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.267 -1.338 8.598 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.698 -2.305 9.028 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.083 -3.051 9.046 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.600 -5.338 5.106 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.593 -5.839 3.699 1.00 0.00 C ATOM 1686 C PHE B 14 -9.642 -6.946 3.542 1.00 0.00 C ATOM 1687 O PHE B 14 -10.440 -6.933 2.626 1.00 0.00 O ATOM 1688 CB PHE B 14 -7.206 -6.398 3.343 1.00 0.00 C ATOM 1689 CG PHE B 14 -7.276 -7.113 2.004 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.662 -6.407 0.857 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.972 -8.480 1.912 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.739 -7.063 -0.377 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -7.052 -9.135 0.677 1.00 0.00 C ATOM 1694 CZ PHE B 14 -7.435 -8.426 -0.468 1.00 0.00 C ATOM 0 H PHE B 14 -7.797 -5.615 5.671 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.828 -5.012 3.029 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.477 -5.589 3.298 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.870 -7.087 4.118 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.900 -5.356 0.925 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -6.676 -9.027 2.795 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.034 -6.516 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -6.818 -10.187 0.608 1.00 0.00 H new ATOM 0 HZ PHE B 14 -7.496 -8.931 -1.421 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.624 -7.917 4.411 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.595 -9.044 4.296 1.00 0.00 C ATOM 1706 C HIS B 15 -11.991 -8.596 4.766 1.00 0.00 C ATOM 1707 O HIS B 15 -12.996 -9.089 4.295 1.00 0.00 O ATOM 1708 CB HIS B 15 -10.087 -10.225 5.160 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.208 -11.536 4.418 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.406 -12.626 4.719 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -11.024 -11.945 3.388 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -9.751 -13.626 3.888 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.731 -13.266 3.057 1.00 0.00 N ATOM 0 H HIS B 15 -8.978 -7.980 5.198 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.675 -9.358 3.255 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.046 -10.055 5.437 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.659 -10.274 6.086 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -8.685 -12.663 5.440 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.776 -11.335 2.910 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -9.290 -14.603 3.893 1.00 0.00 H new ATOM 1721 N GLN B 16 -12.062 -7.683 5.695 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.395 -7.231 6.195 1.00 0.00 C ATOM 1723 C GLN B 16 -14.167 -6.524 5.073 1.00 0.00 C ATOM 1724 O GLN B 16 -15.336 -6.779 4.851 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.189 -6.262 7.367 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.838 -7.048 8.639 1.00 0.00 C ATOM 1727 CD GLN B 16 -14.113 -7.620 9.264 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.647 -7.061 10.202 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -14.626 -8.719 8.782 1.00 0.00 N ATOM 0 H GLN B 16 -11.258 -7.230 6.130 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.969 -8.096 6.526 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.391 -5.558 7.132 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.094 -5.676 7.529 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.146 -7.855 8.399 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.333 -6.397 9.352 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.178 -9.188 7.995 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.475 -9.108 9.192 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.523 -5.648 4.355 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.224 -4.933 3.248 1.00 0.00 C ATOM 1740 C TYR B 17 -14.177 -5.788 1.987 1.00 0.00 C ATOM 1741 O TYR B 17 -15.198 -6.112 1.415 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.543 -3.580 3.006 1.00 0.00 C ATOM 1743 CG TYR B 17 -14.012 -2.588 4.049 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.420 -2.569 5.317 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -15.048 -1.695 3.746 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.862 -1.654 6.282 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.491 -0.782 4.710 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.898 -0.762 5.979 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.334 0.138 6.930 1.00 0.00 O ATOM 0 H TYR B 17 -12.543 -5.395 4.485 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.266 -4.759 3.517 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.460 -3.692 3.055 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.781 -3.214 2.007 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.623 -3.259 5.552 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.505 -1.711 2.768 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.403 -1.637 7.260 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.289 -0.093 4.476 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.210 -0.245 7.824 1.00 0.00 H new ATOM 1759 N SER B 18 -13.015 -6.176 1.555 1.00 0.00 N ATOM 1760 CA SER B 18 -12.939 -7.029 0.341 1.00 0.00 C ATOM 1761 C SER B 18 -13.857 -8.234 0.538 1.00 0.00 C ATOM 1762 O SER B 18 -14.361 -8.806 -0.406 1.00 0.00 O ATOM 1763 CB SER B 18 -11.502 -7.506 0.140 1.00 0.00 C ATOM 1764 OG SER B 18 -11.220 -8.548 1.065 1.00 0.00 O ATOM 0 H SER B 18 -12.120 -5.942 1.985 1.00 0.00 H new ATOM 0 HA SER B 18 -13.250 -6.462 -0.536 1.00 0.00 H new ATOM 0 HB2 SER B 18 -11.364 -7.863 -0.881 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.808 -6.678 0.284 1.00 0.00 H new ATOM 0 HG SER B 18 -10.496 -8.267 1.663 1.00 0.00 H new ATOM 1770 N GLY B 19 -14.070 -8.623 1.770 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.947 -9.800 2.061 1.00 0.00 C ATOM 1772 C GLY B 19 -16.364 -9.337 2.424 1.00 0.00 C ATOM 1773 O GLY B 19 -17.215 -10.140 2.751 1.00 0.00 O ATOM 0 H GLY B 19 -13.671 -8.172 2.594 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.984 -10.457 1.192 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.526 -10.381 2.882 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.639 -8.061 2.359 1.00 0.00 N ATOM 1778 CA ARG B 20 -18.014 -7.585 2.693 1.00 0.00 C ATOM 1779 C ARG B 20 -19.006 -8.169 1.689 1.00 0.00 C ATOM 1780 O ARG B 20 -20.073 -8.624 2.049 1.00 0.00 O ATOM 1781 CB ARG B 20 -18.059 -6.051 2.624 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.471 -5.527 2.937 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.545 -4.034 2.613 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.767 -3.452 3.237 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.760 -3.112 4.497 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.680 -3.270 5.211 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.835 -2.612 5.043 1.00 0.00 N ATOM 0 H ARG B 20 -15.977 -7.333 2.091 1.00 0.00 H new ATOM 0 HA ARG B 20 -18.278 -7.908 3.700 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -17.346 -5.630 3.333 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.756 -5.719 1.631 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.211 -6.074 2.353 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.708 -5.694 3.988 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.656 -3.525 2.985 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.569 -3.886 1.533 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.610 -3.319 2.678 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.839 -3.660 4.785 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -19.676 -3.004 6.196 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.680 -2.487 4.485 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -21.830 -2.346 6.028 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.674 -8.145 0.430 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.627 -8.691 -0.586 1.00 0.00 C ATOM 1803 C GLU B 21 -18.920 -9.014 -1.910 1.00 0.00 C ATOM 1804 O GLU B 21 -17.776 -8.668 -2.126 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.723 -7.650 -0.846 1.00 0.00 C ATOM 1806 CG GLU B 21 -20.087 -6.261 -1.018 1.00 0.00 C ATOM 1807 CD GLU B 21 -21.039 -5.348 -1.799 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.144 -5.524 -3.002 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -21.648 -4.491 -1.180 1.00 0.00 O ATOM 0 H GLU B 21 -17.798 -7.777 0.059 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.052 -9.615 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -21.286 -7.916 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.430 -7.637 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.870 -5.827 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -19.137 -6.348 -1.546 1.00 0.00 H new ATOM 1816 N GLY B 22 -19.627 -9.668 -2.800 1.00 0.00 N ATOM 1817 CA GLY B 22 -19.058 -10.023 -4.135 1.00 0.00 C ATOM 1818 C GLY B 22 -17.801 -10.879 -3.979 1.00 0.00 C ATOM 1819 O GLY B 22 -17.425 -11.263 -2.890 1.00 0.00 O ATOM 0 H GLY B 22 -20.589 -9.975 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -19.802 -10.564 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -18.818 -9.114 -4.687 1.00 0.00 H new ATOM 1823 N ASP B 23 -17.154 -11.181 -5.076 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.919 -12.017 -5.023 1.00 0.00 C ATOM 1825 C ASP B 23 -15.019 -11.544 -3.883 1.00 0.00 C ATOM 1826 O ASP B 23 -14.371 -10.519 -3.971 1.00 0.00 O ATOM 1827 CB ASP B 23 -15.167 -11.897 -6.351 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.076 -12.967 -6.419 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.971 -13.739 -5.480 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.364 -12.996 -7.409 1.00 0.00 O ATOM 0 H ASP B 23 -17.431 -10.882 -6.011 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.196 -13.057 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -15.859 -12.015 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.724 -10.905 -6.442 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.979 -12.283 -2.811 1.00 0.00 N ATOM 1836 CA LYS B 24 -14.127 -11.884 -1.658 1.00 0.00 C ATOM 1837 C LYS B 24 -12.695 -11.624 -2.134 1.00 0.00 C ATOM 1838 O LYS B 24 -12.327 -11.952 -3.245 1.00 0.00 O ATOM 1839 CB LYS B 24 -14.121 -13.006 -0.620 1.00 0.00 C ATOM 1840 CG LYS B 24 -15.557 -13.320 -0.195 1.00 0.00 C ATOM 1841 CD LYS B 24 -15.538 -14.221 1.042 1.00 0.00 C ATOM 1842 CE LYS B 24 -16.968 -14.438 1.541 1.00 0.00 C ATOM 1843 NZ LYS B 24 -16.956 -15.397 2.682 1.00 0.00 N ATOM 0 H LYS B 24 -15.502 -13.150 -2.683 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.528 -10.973 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.651 -13.897 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -13.531 -12.710 0.247 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.093 -12.396 0.023 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.089 -13.813 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -15.077 -15.179 0.800 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.933 -13.766 1.827 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.403 -13.489 1.854 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -17.591 -14.824 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -17.928 -15.545 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -16.557 -16.305 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -16.375 -15.011 3.453 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.882 -11.054 -1.287 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.459 -10.784 -1.655 1.00 0.00 C ATOM 1859 C HIS B 25 -10.359 -9.690 -2.719 1.00 0.00 C ATOM 1860 O HIS B 25 -9.279 -9.377 -3.180 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.804 -12.077 -2.165 1.00 0.00 C ATOM 1862 CG HIS B 25 -10.375 -13.258 -1.427 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -10.165 -13.457 -0.067 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -11.148 -14.315 -1.844 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -10.800 -14.592 0.280 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -11.412 -15.151 -0.766 1.00 0.00 N ATOM 0 H HIS B 25 -12.144 -10.760 -0.346 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.935 -10.435 -0.765 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.977 -12.186 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.725 -12.032 -2.019 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -11.497 -14.472 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.813 -14.999 1.280 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -11.959 -16.012 -0.773 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.458 -9.095 -3.107 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.412 -8.008 -4.132 1.00 0.00 C ATOM 1876 C LYS B 26 -12.124 -6.780 -3.583 1.00 0.00 C ATOM 1877 O LYS B 26 -13.091 -6.876 -2.855 1.00 0.00 O ATOM 1878 CB LYS B 26 -12.122 -8.475 -5.405 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.236 -9.489 -6.138 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.149 -8.762 -6.979 1.00 0.00 C ATOM 1881 CE LYS B 26 -8.789 -9.460 -6.815 1.00 0.00 C ATOM 1882 NZ LYS B 26 -8.128 -8.970 -5.573 1.00 0.00 N ATOM 0 H LYS B 26 -12.390 -9.316 -2.756 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.375 -7.765 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.081 -8.928 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.331 -7.623 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.761 -10.153 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.850 -10.112 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.437 -8.756 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.071 -7.722 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -8.926 -10.540 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -8.157 -9.258 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -7.101 -8.908 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.499 -8.029 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -8.321 -9.630 -4.793 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.640 -5.622 -3.926 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.272 -4.358 -3.428 1.00 0.00 C ATOM 1898 C LEU B 27 -13.295 -3.847 -4.458 1.00 0.00 C ATOM 1899 O LEU B 27 -12.978 -3.636 -5.612 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.166 -3.311 -3.210 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.602 -2.244 -2.182 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.373 -1.483 -1.684 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -12.573 -1.254 -2.834 1.00 0.00 C ATOM 0 H LEU B 27 -10.831 -5.489 -4.532 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.792 -4.543 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.258 -3.804 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.925 -2.830 -4.158 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.096 -2.739 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.681 -0.730 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.680 -2.180 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.881 -0.996 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -12.875 -0.505 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.082 -0.763 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -13.453 -1.789 -3.190 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.521 -3.636 -4.030 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.588 -3.122 -4.955 1.00 0.00 C ATOM 1917 C LYS B 28 -15.962 -1.684 -4.575 1.00 0.00 C ATOM 1918 O LYS B 28 -15.763 -1.252 -3.459 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.830 -4.019 -4.847 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.397 -5.473 -4.589 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.463 -6.446 -5.109 1.00 0.00 C ATOM 1922 CE LYS B 28 -18.868 -6.029 -4.634 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.488 -5.123 -5.643 1.00 0.00 N ATOM 0 H LYS B 28 -14.830 -3.799 -3.072 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.213 -3.135 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.473 -3.671 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.414 -3.961 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.445 -5.669 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.242 -5.629 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.436 -6.472 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -17.241 -7.455 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.491 -6.912 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.802 -5.525 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.438 -4.141 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.976 -5.206 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -20.483 -5.390 -5.784 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.519 -0.940 -5.490 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.916 0.459 -5.164 1.00 0.00 C ATOM 1939 C LYS B 29 -17.712 0.462 -3.852 1.00 0.00 C ATOM 1940 O LYS B 29 -17.475 1.270 -2.976 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.769 1.025 -6.308 1.00 0.00 C ATOM 1942 CG LYS B 29 -18.480 2.304 -5.853 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.986 3.085 -7.070 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.789 2.163 -7.998 1.00 0.00 C ATOM 1945 NZ LYS B 29 -18.856 1.413 -8.884 1.00 0.00 N ATOM 0 H LYS B 29 -16.716 -1.238 -6.445 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.030 1.082 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.138 1.238 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.504 0.285 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.315 2.052 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.796 2.923 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.610 3.917 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -18.143 3.513 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.386 1.467 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.484 2.750 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.171 1.499 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.897 1.806 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.848 0.410 -8.610 1.00 0.00 H new ATOM 1959 N SER B 30 -18.646 -0.441 -3.701 1.00 0.00 N ATOM 1960 CA SER B 30 -19.435 -0.485 -2.437 1.00 0.00 C ATOM 1961 C SER B 30 -18.471 -0.659 -1.267 1.00 0.00 C ATOM 1962 O SER B 30 -18.781 -0.354 -0.140 1.00 0.00 O ATOM 1963 CB SER B 30 -20.410 -1.667 -2.477 1.00 0.00 C ATOM 1964 OG SER B 30 -21.531 -1.324 -3.283 1.00 0.00 O ATOM 0 H SER B 30 -18.895 -1.146 -4.395 1.00 0.00 H new ATOM 0 HA SER B 30 -20.002 0.439 -2.321 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.914 -2.549 -2.881 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.736 -1.919 -1.468 1.00 0.00 H new ATOM 0 HG SER B 30 -22.156 -2.078 -3.312 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.290 -1.130 -1.546 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.268 -1.316 -0.473 1.00 0.00 C ATOM 1972 C GLU B 31 -15.320 -0.137 -0.502 1.00 0.00 C ATOM 1973 O GLU B 31 -14.735 0.212 0.491 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.514 -2.629 -0.699 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.430 -3.798 -0.323 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.876 -5.100 -0.904 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.864 -5.042 -1.577 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.478 -6.134 -0.664 1.00 0.00 O ATOM 0 H GLU B 31 -16.983 -1.398 -2.481 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.748 -1.367 0.504 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.205 -2.712 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.607 -2.652 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.507 -3.877 0.761 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.436 -3.620 -0.702 1.00 0.00 H new ATOM 1985 N LEU B 32 -15.171 0.492 -1.626 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.265 1.668 -1.695 1.00 0.00 C ATOM 1987 C LEU B 32 -14.999 2.897 -1.166 1.00 0.00 C ATOM 1988 O LEU B 32 -14.577 3.518 -0.218 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.815 1.887 -3.157 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.368 2.392 -3.204 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.949 2.610 -4.659 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.259 3.713 -2.436 1.00 0.00 C ATOM 0 H LEU B 32 -15.635 0.246 -2.500 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.380 1.496 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.899 0.953 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.474 2.607 -3.642 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.712 1.652 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.920 2.969 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.022 1.669 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.606 3.348 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.230 4.070 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.916 4.454 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.554 3.556 -1.398 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.095 3.250 -1.757 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.835 4.441 -1.268 1.00 0.00 C ATOM 2006 C LYS B 33 -17.305 4.196 0.169 1.00 0.00 C ATOM 2007 O LYS B 33 -17.331 5.099 0.981 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.026 4.703 -2.202 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.908 5.853 -1.660 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.104 5.285 -0.872 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.245 4.909 -1.824 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.449 4.539 -1.026 1.00 0.00 N ATOM 0 H LYS B 33 -16.513 2.770 -2.555 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.188 5.318 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.664 4.956 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.623 3.796 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.315 6.502 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -19.267 6.466 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -19.791 4.408 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.454 6.022 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.475 5.746 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -20.945 4.075 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.226 4.283 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.224 3.729 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.738 5.347 -0.438 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.687 2.988 0.495 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.162 2.727 1.890 1.00 0.00 C ATOM 2028 C GLU B 34 -16.965 2.720 2.838 1.00 0.00 C ATOM 2029 O GLU B 34 -17.070 3.089 3.991 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.882 1.384 1.970 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.582 1.259 3.324 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.349 -0.063 3.379 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.310 -0.790 2.400 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.965 -0.325 4.399 1.00 0.00 O ATOM 0 H GLU B 34 -17.692 2.183 -0.131 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.859 3.514 2.177 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.610 1.301 1.163 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.169 0.569 1.841 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.849 1.301 4.130 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.266 2.095 3.471 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.825 2.323 2.355 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.617 2.316 3.221 1.00 0.00 C ATOM 2043 C LEU B 35 -14.157 3.767 3.380 1.00 0.00 C ATOM 2044 O LEU B 35 -13.676 4.181 4.416 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.529 1.469 2.546 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.180 1.630 3.262 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.309 1.202 4.723 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -11.138 0.750 2.573 1.00 0.00 C ATOM 0 H LEU B 35 -15.677 2.003 1.398 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.827 1.888 4.201 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.825 0.420 2.552 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.428 1.766 1.502 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.874 2.675 3.219 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.348 1.320 5.223 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.054 1.823 5.220 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.617 0.158 4.770 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.178 0.860 3.077 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.454 -0.292 2.619 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.037 1.053 1.531 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.327 4.535 2.342 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.942 5.971 2.365 1.00 0.00 C ATOM 2062 C ILE B 36 -14.727 6.696 3.466 1.00 0.00 C ATOM 2063 O ILE B 36 -14.189 7.479 4.223 1.00 0.00 O ATOM 2064 CB ILE B 36 -14.272 6.559 0.991 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -13.314 5.956 -0.081 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -14.142 8.078 1.036 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.118 6.875 -0.362 1.00 0.00 C ATOM 0 H ILE B 36 -14.726 4.219 1.458 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.879 6.089 2.576 1.00 0.00 H new ATOM 0 HB ILE B 36 -15.298 6.307 0.722 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.954 4.985 0.259 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.865 5.785 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.378 8.493 0.056 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.834 8.481 1.776 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -13.122 8.348 1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.476 6.417 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.477 7.837 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.551 7.025 0.557 1.00 0.00 H new ATOM 2079 N ASN B 37 -16.002 6.449 3.532 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.860 7.126 4.551 1.00 0.00 C ATOM 2081 C ASN B 37 -16.743 6.454 5.929 1.00 0.00 C ATOM 2082 O ASN B 37 -17.077 7.050 6.935 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.319 7.075 4.090 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.212 7.734 5.143 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -20.327 7.306 5.364 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -18.765 8.765 5.807 1.00 0.00 N ATOM 0 H ASN B 37 -16.496 5.801 2.919 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.522 8.158 4.648 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.427 7.588 3.134 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.626 6.041 3.934 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.352 9.211 6.512 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.829 9.124 5.621 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.334 5.209 5.994 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.274 4.511 7.326 1.00 0.00 C ATOM 2095 C ASN B 38 -14.880 4.581 7.978 1.00 0.00 C ATOM 2096 O ASN B 38 -14.774 4.808 9.167 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.652 3.042 7.127 1.00 0.00 C ATOM 2098 CG ASN B 38 -16.780 2.354 8.488 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -17.869 2.211 9.010 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -15.707 1.918 9.088 1.00 0.00 N ATOM 0 H ASN B 38 -16.041 4.648 5.194 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.970 5.019 7.993 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.593 2.969 6.582 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.895 2.540 6.525 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -15.781 1.457 9.995 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -14.794 2.038 8.650 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.816 4.364 7.240 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.439 4.394 7.861 1.00 0.00 C ATOM 2109 C GLU B 39 -11.677 5.642 7.412 1.00 0.00 C ATOM 2110 O GLU B 39 -11.349 6.494 8.214 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.677 3.136 7.430 1.00 0.00 C ATOM 2112 CG GLU B 39 -10.488 2.895 8.362 1.00 0.00 C ATOM 2113 CD GLU B 39 -10.986 2.342 9.700 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -11.378 3.134 10.539 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -10.967 1.132 9.860 1.00 0.00 O ATOM 0 H GLU B 39 -13.834 4.168 6.239 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.531 4.421 8.947 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.344 2.274 7.448 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.328 3.247 6.404 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.791 2.193 7.904 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.944 3.826 8.522 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.398 5.773 6.145 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.665 6.987 5.675 1.00 0.00 C ATOM 2124 C LEU B 40 -11.613 8.190 5.741 1.00 0.00 C ATOM 2125 O LEU B 40 -11.507 9.117 4.971 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.196 6.775 4.228 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.027 5.782 4.148 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -7.800 6.317 4.900 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -9.443 4.428 4.730 1.00 0.00 C ATOM 0 H LEU B 40 -11.642 5.100 5.419 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.796 7.167 6.307 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.027 6.407 3.626 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.891 7.730 3.801 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.761 5.656 3.098 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.986 5.595 4.828 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.486 7.263 4.458 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.055 6.473 5.948 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.606 3.733 4.668 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -9.733 4.554 5.773 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -10.286 4.032 4.164 1.00 0.00 H new ATOM 2141 N SER B 41 -12.546 8.179 6.661 1.00 0.00 N ATOM 2142 CA SER B 41 -13.511 9.313 6.783 1.00 0.00 C ATOM 2143 C SER B 41 -12.988 10.357 7.779 1.00 0.00 C ATOM 2144 O SER B 41 -13.457 11.477 7.812 1.00 0.00 O ATOM 2145 CB SER B 41 -14.861 8.760 7.272 1.00 0.00 C ATOM 2146 OG SER B 41 -15.087 9.153 8.622 1.00 0.00 O ATOM 0 H SER B 41 -12.680 7.427 7.337 1.00 0.00 H new ATOM 0 HA SER B 41 -13.631 9.794 5.812 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.666 9.129 6.637 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.868 7.673 7.195 1.00 0.00 H new ATOM 0 HG SER B 41 -16.009 8.939 8.875 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.032 10.006 8.603 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.507 10.990 9.601 1.00 0.00 C ATOM 2154 C HIS B 42 -10.319 11.755 9.013 1.00 0.00 C ATOM 2155 O HIS B 42 -10.003 12.845 9.446 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.052 10.240 10.855 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.229 9.530 11.467 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.651 8.282 11.028 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -13.083 9.878 12.486 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.714 7.928 11.774 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -14.017 8.865 12.673 1.00 0.00 N ATOM 0 H HIS B 42 -11.594 9.085 8.628 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.297 11.698 9.854 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.273 9.522 10.600 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.620 10.938 11.573 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.036 10.796 13.053 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.254 7.000 11.659 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.775 8.843 13.355 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.660 11.196 8.028 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.487 11.887 7.401 1.00 0.00 C ATOM 2172 C PHE B 43 -8.855 12.308 5.983 1.00 0.00 C ATOM 2173 O PHE B 43 -8.268 13.213 5.424 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.299 10.924 7.346 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.894 10.531 8.745 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.527 9.455 9.381 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.883 11.239 9.407 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -7.149 9.089 10.678 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.505 10.872 10.704 1.00 0.00 C ATOM 2180 CZ PHE B 43 -6.138 9.797 11.340 1.00 0.00 C ATOM 0 H PHE B 43 -9.885 10.285 7.628 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.220 12.764 7.991 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.565 10.036 6.772 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.460 11.396 6.834 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.306 8.908 8.871 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.395 12.068 8.917 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.637 8.260 11.169 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.725 11.418 11.214 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.847 9.514 12.341 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.830 11.658 5.400 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.263 12.009 4.012 1.00 0.00 C ATOM 2192 C LEU B 44 -11.648 12.664 4.086 1.00 0.00 C ATOM 2193 O LEU B 44 -12.524 12.206 4.793 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.309 10.718 3.164 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.691 10.930 1.769 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.190 11.268 1.884 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -9.863 9.637 0.960 1.00 0.00 C ATOM 0 H LEU B 44 -10.349 10.892 5.830 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.565 12.706 3.548 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.773 9.923 3.682 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.343 10.389 3.058 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.193 11.761 1.274 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.773 11.414 0.888 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.066 12.181 2.467 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.669 10.448 2.379 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.431 9.768 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.357 8.818 1.471 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.924 9.405 0.866 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.849 13.737 3.373 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.174 14.420 3.418 1.00 0.00 C ATOM 2211 C GLU B 45 -14.288 13.389 3.220 1.00 0.00 C ATOM 2212 O GLU B 45 -14.207 12.527 2.368 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.247 15.472 2.310 1.00 0.00 C ATOM 2214 CG GLU B 45 -14.437 16.400 2.565 1.00 0.00 C ATOM 2215 CD GLU B 45 -14.550 17.412 1.423 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -13.698 17.388 0.551 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -15.488 18.191 1.441 1.00 0.00 O ATOM 0 H GLU B 45 -11.156 14.170 2.763 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.298 14.906 4.386 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.322 16.049 2.280 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.352 14.987 1.340 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -15.356 15.818 2.641 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -14.309 16.920 3.514 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.320 13.468 4.014 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.439 12.491 3.890 1.00 0.00 C ATOM 2226 C GLU B 46 -16.998 12.505 2.467 1.00 0.00 C ATOM 2227 O GLU B 46 -17.844 13.310 2.130 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.549 12.862 4.875 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.092 12.545 6.299 1.00 0.00 C ATOM 2230 CD GLU B 46 -18.241 12.800 7.276 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -19.336 13.079 6.814 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -18.008 12.713 8.471 1.00 0.00 O ATOM 0 H GLU B 46 -15.437 14.169 4.746 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.064 11.492 4.114 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -17.790 13.921 4.786 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.458 12.308 4.641 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.769 11.506 6.365 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.234 13.163 6.562 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.545 11.608 1.634 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.062 11.558 0.239 1.00 0.00 C ATOM 2241 C ILE B 47 -18.502 11.045 0.269 1.00 0.00 C ATOM 2242 O ILE B 47 -18.779 9.980 0.781 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.179 10.609 -0.588 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.814 11.284 -0.828 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.852 10.278 -1.928 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.874 10.399 -1.672 1.00 0.00 C ATOM 0 H ILE B 47 -15.839 10.908 1.860 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.040 12.550 -0.213 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.038 9.676 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.965 12.238 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.343 11.502 0.131 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.213 9.605 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.812 9.797 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.009 11.197 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.924 10.913 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.701 9.455 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.332 10.203 -2.641 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.418 11.794 -0.290 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.851 11.365 -0.318 1.00 0.00 C ATOM 2260 C LYS B 48 -21.230 11.044 -1.762 1.00 0.00 C ATOM 2261 O LYS B 48 -22.237 10.416 -2.028 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.731 12.499 0.209 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.426 12.729 1.691 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.372 13.795 2.250 1.00 0.00 C ATOM 2265 CE LYS B 48 -21.842 14.294 3.595 1.00 0.00 C ATOM 2266 NZ LYS B 48 -22.752 15.347 4.129 1.00 0.00 N ATOM 0 H LYS B 48 -19.233 12.694 -0.733 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.995 10.485 0.308 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.546 13.411 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.784 12.249 0.077 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.543 11.798 2.246 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.391 13.046 1.815 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.455 14.626 1.549 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.372 13.380 2.373 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.773 13.466 4.301 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -20.836 14.695 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -22.391 15.686 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -22.796 16.141 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -23.704 14.950 4.258 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.414 11.464 -2.696 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.684 11.188 -4.141 1.00 0.00 C ATOM 2282 C GLU B 49 -19.665 10.166 -4.642 1.00 0.00 C ATOM 2283 O GLU B 49 -18.482 10.280 -4.385 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.539 12.481 -4.947 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.356 13.595 -4.288 1.00 0.00 C ATOM 2286 CD GLU B 49 -20.623 14.111 -3.046 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -19.465 13.769 -2.877 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -21.236 14.843 -2.285 1.00 0.00 O ATOM 0 H GLU B 49 -19.561 11.993 -2.516 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.696 10.801 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.490 12.771 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.880 12.323 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -21.512 14.410 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -22.341 13.220 -4.011 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.107 9.167 -5.350 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.153 8.145 -5.859 1.00 0.00 C ATOM 2297 C GLN B 50 -18.266 8.764 -6.938 1.00 0.00 C ATOM 2298 O GLN B 50 -17.218 8.243 -7.265 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.929 6.971 -6.458 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.945 6.450 -5.438 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.830 5.391 -6.097 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.757 4.226 -5.761 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -22.671 5.751 -7.029 1.00 0.00 N ATOM 0 H GLN B 50 -21.084 9.014 -5.598 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.534 7.791 -5.035 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.441 7.287 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.241 6.174 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -20.428 6.024 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.557 7.271 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -22.732 6.729 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -23.267 5.054 -7.475 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.694 9.857 -7.514 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.903 10.510 -8.596 1.00 0.00 C ATOM 2314 C GLU B 51 -16.414 10.490 -8.275 1.00 0.00 C ATOM 2315 O GLU B 51 -15.597 10.209 -9.128 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.370 11.957 -8.772 1.00 0.00 C ATOM 2317 CG GLU B 51 -19.794 11.968 -9.332 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.385 13.373 -9.195 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.079 14.207 -10.031 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.136 13.590 -8.258 1.00 0.00 O ATOM 0 H GLU B 51 -19.567 10.329 -7.278 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.062 9.954 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.340 12.479 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.698 12.488 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -19.787 11.665 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.412 11.248 -8.796 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.041 10.762 -7.063 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.594 10.723 -6.740 1.00 0.00 C ATOM 2329 C VAL B 52 -14.164 9.269 -6.745 1.00 0.00 C ATOM 2330 O VAL B 52 -13.094 8.921 -7.201 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.334 11.344 -5.358 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -12.882 11.824 -5.269 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.272 12.530 -5.135 1.00 0.00 C ATOM 0 H VAL B 52 -16.663 11.006 -6.292 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.028 11.296 -7.474 1.00 0.00 H new ATOM 0 HB VAL B 52 -14.516 10.589 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -12.703 12.263 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -12.210 10.979 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -12.698 12.572 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.082 12.965 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -15.098 13.282 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -16.306 12.191 -5.187 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.011 8.416 -6.264 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.678 6.978 -6.262 1.00 0.00 C ATOM 2345 C VAL B 53 -14.649 6.521 -7.709 1.00 0.00 C ATOM 2346 O VAL B 53 -14.001 5.560 -8.061 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.725 6.191 -5.454 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -15.575 4.679 -5.730 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -15.547 6.479 -3.933 1.00 0.00 C ATOM 0 H VAL B 53 -15.922 8.654 -5.871 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.710 6.801 -5.793 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.723 6.507 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.319 4.129 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -15.723 4.487 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -14.577 4.353 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -16.291 5.919 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.548 6.175 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -15.677 7.545 -3.747 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.337 7.227 -8.558 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.332 6.850 -9.993 1.00 0.00 C ATOM 2361 C ASP B 54 -14.016 7.336 -10.592 1.00 0.00 C ATOM 2362 O ASP B 54 -13.432 6.708 -11.454 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.510 7.514 -10.712 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.823 7.032 -10.090 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.774 6.107 -9.296 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.853 7.596 -10.420 1.00 0.00 O ATOM 0 H ASP B 54 -15.899 8.044 -8.321 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.429 5.770 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.434 8.598 -10.633 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.487 7.269 -11.774 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.542 8.459 -10.121 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.258 9.011 -10.634 1.00 0.00 C ATOM 2373 C LYS B 55 -11.087 8.367 -9.881 1.00 0.00 C ATOM 2374 O LYS B 55 -10.075 8.040 -10.467 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.252 10.538 -10.438 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.818 11.114 -10.589 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.169 11.308 -9.203 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.642 11.297 -9.329 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.039 11.937 -8.125 1.00 0.00 N ATOM 0 H LYS B 55 -13.994 9.020 -9.398 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.153 8.789 -11.696 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.914 11.004 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.644 10.783 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.210 10.439 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.855 12.067 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.499 12.251 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.491 10.515 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.282 10.273 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.337 11.831 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.003 11.930 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.373 12.919 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.320 11.409 -7.274 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.201 8.178 -8.590 1.00 0.00 N ATOM 2394 CA VAL B 56 -10.077 7.553 -7.838 1.00 0.00 C ATOM 2395 C VAL B 56 -9.820 6.157 -8.418 1.00 0.00 C ATOM 2396 O VAL B 56 -8.694 5.722 -8.548 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.439 7.486 -6.326 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -11.096 6.144 -5.959 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -9.177 7.661 -5.475 1.00 0.00 C ATOM 0 H VAL B 56 -12.017 8.428 -8.031 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.167 8.146 -7.936 1.00 0.00 H new ATOM 0 HB VAL B 56 -11.147 8.290 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.334 6.134 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -12.011 6.017 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.408 5.329 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.441 7.613 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.468 6.867 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.723 8.628 -5.692 1.00 0.00 H new ATOM 2409 N MET B 57 -10.864 5.459 -8.771 1.00 0.00 N ATOM 2410 CA MET B 57 -10.693 4.099 -9.347 1.00 0.00 C ATOM 2411 C MET B 57 -9.961 4.219 -10.683 1.00 0.00 C ATOM 2412 O MET B 57 -9.188 3.361 -11.061 1.00 0.00 O ATOM 2413 CB MET B 57 -12.066 3.457 -9.563 1.00 0.00 C ATOM 2414 CG MET B 57 -12.634 2.983 -8.221 1.00 0.00 C ATOM 2415 SD MET B 57 -14.350 2.451 -8.453 1.00 0.00 S ATOM 2416 CE MET B 57 -14.046 0.667 -8.486 1.00 0.00 C ATOM 0 H MET B 57 -11.830 5.774 -8.684 1.00 0.00 H new ATOM 0 HA MET B 57 -10.114 3.476 -8.665 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.745 4.175 -10.023 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.980 2.615 -10.250 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.036 2.160 -7.830 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.587 3.788 -7.488 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.971 0.145 -8.729 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.293 0.440 -9.240 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.691 0.340 -7.509 1.00 0.00 H new ATOM 2426 N GLU B 58 -10.192 5.286 -11.399 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.502 5.469 -12.707 1.00 0.00 C ATOM 2428 C GLU B 58 -8.013 5.701 -12.461 1.00 0.00 C ATOM 2429 O GLU B 58 -7.175 5.293 -13.239 1.00 0.00 O ATOM 2430 CB GLU B 58 -10.101 6.675 -13.436 1.00 0.00 C ATOM 2431 CG GLU B 58 -11.472 6.299 -14.010 1.00 0.00 C ATOM 2432 CD GLU B 58 -11.289 5.466 -15.280 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.801 6.010 -16.258 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -11.642 4.298 -15.255 1.00 0.00 O ATOM 0 H GLU B 58 -10.828 6.038 -11.135 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.634 4.578 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.201 7.515 -12.749 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.435 6.996 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.043 5.735 -13.273 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.043 7.200 -14.234 1.00 0.00 H new ATOM 2441 N THR B 59 -7.679 6.353 -11.384 1.00 0.00 N ATOM 2442 CA THR B 59 -6.242 6.611 -11.084 1.00 0.00 C ATOM 2443 C THR B 59 -5.631 5.385 -10.404 1.00 0.00 C ATOM 2444 O THR B 59 -4.445 5.141 -10.500 1.00 0.00 O ATOM 2445 CB THR B 59 -6.117 7.813 -10.149 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.694 8.954 -10.768 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.637 8.074 -9.867 1.00 0.00 C ATOM 0 H THR B 59 -8.338 6.719 -10.697 1.00 0.00 H new ATOM 0 HA THR B 59 -5.716 6.816 -12.016 1.00 0.00 H new ATOM 0 HB THR B 59 -6.637 7.610 -9.213 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.349 9.767 -10.342 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.539 8.931 -9.200 1.00 0.00 H new ATOM 0 HG22 THR B 59 -4.196 7.195 -9.396 1.00 0.00 H new ATOM 0 HG23 THR B 59 -4.119 8.282 -10.803 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.427 4.619 -9.703 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.886 3.415 -8.997 1.00 0.00 C ATOM 2457 C LEU B 60 -6.112 2.160 -9.842 1.00 0.00 C ATOM 2458 O LEU B 60 -5.212 1.362 -10.016 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.595 3.268 -7.642 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.861 4.089 -6.564 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.485 3.459 -6.237 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.670 5.533 -7.053 1.00 0.00 C ATOM 0 H LEU B 60 -7.429 4.774 -9.588 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.814 3.538 -8.840 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.628 3.606 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.625 2.218 -7.351 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.465 4.089 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.984 4.055 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.628 2.443 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.872 3.435 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.151 6.110 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.080 5.532 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.643 5.983 -7.249 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.282 1.965 -10.387 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.507 0.754 -11.223 1.00 0.00 C ATOM 2476 C ASP B 61 -6.472 0.728 -12.335 1.00 0.00 C ATOM 2477 O ASP B 61 -6.562 1.437 -13.317 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.916 0.805 -11.801 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.278 -0.554 -12.391 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.460 -1.454 -12.302 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.367 -0.674 -12.925 1.00 0.00 O ATOM 0 H ASP B 61 -8.085 2.587 -10.290 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.406 -0.151 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.629 1.076 -11.023 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.976 1.574 -12.571 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.478 -0.092 -12.164 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.395 -0.197 -13.180 1.00 0.00 C ATOM 2488 C GLU B 62 -4.778 -1.263 -14.189 1.00 0.00 C ATOM 2489 O GLU B 62 -4.642 -1.083 -15.384 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.073 -0.569 -12.492 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.440 0.686 -11.881 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.904 1.581 -13.000 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.011 1.142 -13.706 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.398 2.689 -13.134 1.00 0.00 O ATOM 0 H GLU B 62 -5.367 -0.702 -11.354 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.265 0.758 -13.688 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -3.252 -1.313 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.390 -1.019 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.178 1.228 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.632 0.407 -11.205 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.280 -2.366 -13.725 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.697 -3.423 -14.671 1.00 0.00 C ATOM 2503 C ASP B 63 -7.018 -2.991 -15.296 1.00 0.00 C ATOM 2504 O ASP B 63 -7.559 -3.658 -16.155 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.881 -4.749 -13.929 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.625 -4.504 -12.616 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.310 -3.501 -12.526 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.499 -5.327 -11.723 1.00 0.00 O ATOM 0 H ASP B 63 -5.418 -2.579 -12.737 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.938 -3.565 -15.440 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.439 -5.450 -14.550 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.910 -5.203 -13.729 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.550 -1.868 -14.868 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.840 -1.410 -15.452 1.00 0.00 C ATOM 2515 C GLY B 64 -9.869 -2.511 -15.242 1.00 0.00 C ATOM 2516 O GLY B 64 -10.639 -2.836 -16.124 1.00 0.00 O ATOM 0 H GLY B 64 -7.150 -1.262 -14.151 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.168 -0.486 -14.975 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.723 -1.196 -16.514 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.879 -3.096 -14.075 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.852 -4.195 -13.800 1.00 0.00 C ATOM 2522 C ASP B 65 -12.111 -3.607 -13.174 1.00 0.00 C ATOM 2523 O ASP B 65 -13.084 -4.296 -12.943 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.224 -5.197 -12.830 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.773 -4.465 -11.566 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.914 -3.253 -11.527 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.295 -5.126 -10.659 1.00 0.00 O ATOM 0 H ASP B 65 -9.257 -2.862 -13.301 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.107 -4.700 -14.732 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.944 -5.975 -12.576 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.374 -5.691 -13.300 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.098 -2.335 -12.885 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.298 -1.708 -12.261 1.00 0.00 C ATOM 2534 C GLY B 66 -13.280 -2.019 -10.772 1.00 0.00 C ATOM 2535 O GLY B 66 -14.174 -1.662 -10.032 1.00 0.00 O ATOM 0 H GLY B 66 -11.313 -1.705 -13.053 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.291 -0.630 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.209 -2.094 -12.718 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.247 -2.682 -10.334 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.110 -3.035 -8.894 1.00 0.00 C ATOM 2541 C GLU B 67 -10.675 -2.728 -8.477 1.00 0.00 C ATOM 2542 O GLU B 67 -9.835 -2.449 -9.310 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.400 -4.526 -8.703 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.757 -4.865 -9.325 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.220 -6.235 -8.828 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.564 -7.213 -9.147 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.225 -6.283 -8.137 1.00 0.00 O ATOM 0 H GLU B 67 -11.478 -3.000 -10.924 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.813 -2.464 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.615 -5.123 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.402 -4.774 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.491 -4.104 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.680 -4.868 -10.412 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.384 -2.763 -7.203 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.992 -2.456 -6.732 1.00 0.00 C ATOM 2556 C CYS B 68 -8.413 -3.653 -5.968 1.00 0.00 C ATOM 2557 O CYS B 68 -8.644 -3.821 -4.785 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.029 -1.214 -5.821 1.00 0.00 C ATOM 2559 SG CYS B 68 -10.401 -0.144 -6.324 1.00 0.00 S ATOM 0 H CYS B 68 -11.049 -2.991 -6.464 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.355 -2.257 -7.594 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.150 -1.515 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.086 -0.671 -5.888 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.104 1.094 -6.062 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.669 -4.492 -6.644 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.065 -5.670 -5.962 1.00 0.00 C ATOM 2567 C ASP B 69 -6.281 -5.172 -4.748 1.00 0.00 C ATOM 2568 O ASP B 69 -6.318 -4.006 -4.430 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.123 -6.397 -6.924 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.881 -6.769 -8.199 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -8.073 -6.514 -8.252 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.258 -7.302 -9.102 1.00 0.00 O ATOM 0 H ASP B 69 -7.456 -4.410 -7.638 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.845 -6.363 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.272 -5.760 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.725 -7.294 -6.451 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.578 -6.035 -4.064 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.810 -5.588 -2.860 1.00 0.00 C ATOM 2579 C PHE B 70 -3.627 -4.682 -3.276 1.00 0.00 C ATOM 2580 O PHE B 70 -3.521 -3.545 -2.858 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.283 -6.833 -2.113 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.197 -6.592 -0.607 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.913 -5.315 -0.085 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -4.391 -7.667 0.273 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.823 -5.126 1.299 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.300 -7.471 1.657 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.015 -6.203 2.168 1.00 0.00 C ATOM 0 H PHE B 70 -5.501 -7.028 -4.284 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.466 -5.013 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -4.940 -7.681 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -3.298 -7.098 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.764 -4.480 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -4.611 -8.649 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.605 -4.146 1.696 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -4.451 -8.302 2.330 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.943 -6.055 3.235 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.722 -5.199 -4.059 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.516 -4.418 -4.471 1.00 0.00 C ATOM 2599 C GLN B 71 -1.870 -2.983 -4.884 1.00 0.00 C ATOM 2600 O GLN B 71 -1.159 -2.056 -4.545 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.777 -5.135 -5.621 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.754 -5.647 -6.688 1.00 0.00 C ATOM 2603 CD GLN B 71 -2.289 -4.470 -7.506 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -3.475 -4.375 -7.752 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.457 -3.564 -7.944 1.00 0.00 N ATOM 0 H GLN B 71 -2.765 -6.145 -4.438 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.859 -4.357 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.064 -4.450 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.204 -5.971 -5.220 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.252 -6.359 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.580 -6.178 -6.214 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.461 -3.644 -7.738 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.803 -2.777 -8.493 1.00 0.00 H new ATOM 2614 N GLU B 72 -2.953 -2.760 -5.583 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.293 -1.355 -5.971 1.00 0.00 C ATOM 2616 C GLU B 72 -4.170 -0.740 -4.882 1.00 0.00 C ATOM 2617 O GLU B 72 -4.038 0.417 -4.547 1.00 0.00 O ATOM 2618 CB GLU B 72 -3.989 -1.347 -7.344 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.470 -1.762 -7.230 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.928 -2.425 -8.535 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.809 -1.793 -9.572 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.388 -3.553 -8.474 1.00 0.00 O ATOM 0 H GLU B 72 -3.608 -3.475 -5.898 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.388 -0.754 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.922 -0.351 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.471 -2.027 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.600 -2.452 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.087 -0.888 -7.020 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.051 -1.501 -4.304 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.902 -0.939 -3.219 1.00 0.00 C ATOM 2631 C PHE B 73 -4.986 -0.318 -2.175 1.00 0.00 C ATOM 2632 O PHE B 73 -5.206 0.778 -1.714 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.724 -2.067 -2.598 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.320 -1.679 -1.259 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.793 -0.378 -1.017 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.425 -2.654 -0.258 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.362 -0.064 0.224 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.998 -2.338 0.976 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.465 -1.045 1.217 1.00 0.00 C ATOM 0 H PHE B 73 -5.220 -2.481 -4.532 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.582 -0.182 -3.609 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.525 -2.348 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.092 -2.946 -2.470 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.718 0.377 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.061 -3.654 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.722 0.936 0.415 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.080 -3.094 1.743 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.907 -0.801 2.172 1.00 0.00 H new ATOM 2649 N MET B 74 -3.933 -0.992 -1.822 1.00 0.00 N ATOM 2650 CA MET B 74 -2.996 -0.399 -0.843 1.00 0.00 C ATOM 2651 C MET B 74 -2.506 0.909 -1.456 1.00 0.00 C ATOM 2652 O MET B 74 -2.417 1.931 -0.802 1.00 0.00 O ATOM 2653 CB MET B 74 -1.821 -1.376 -0.611 1.00 0.00 C ATOM 2654 CG MET B 74 -1.426 -1.422 0.875 1.00 0.00 C ATOM 2655 SD MET B 74 0.316 -1.904 1.014 1.00 0.00 S ATOM 2656 CE MET B 74 0.390 -1.993 2.818 1.00 0.00 C ATOM 0 H MET B 74 -3.684 -1.919 -2.166 1.00 0.00 H new ATOM 0 HA MET B 74 -3.469 -0.214 0.121 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.102 -2.374 -0.947 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.964 -1.068 -1.209 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.584 -0.447 1.336 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.056 -2.133 1.409 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.398 -1.749 3.153 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.317 -1.283 3.247 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.134 -3.001 3.143 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.169 0.865 -2.714 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.657 2.103 -3.375 1.00 0.00 C ATOM 2668 C ALA B 75 -2.618 3.263 -3.096 1.00 0.00 C ATOM 2669 O ALA B 75 -2.244 4.417 -3.170 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.534 1.891 -4.881 1.00 0.00 C ATOM 0 H ALA B 75 -2.224 0.038 -3.309 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.671 2.336 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.160 2.802 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.842 1.072 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.512 1.647 -5.295 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.846 2.974 -2.755 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.795 4.088 -2.455 1.00 0.00 C ATOM 2678 C PHE B 76 -4.465 4.638 -1.073 1.00 0.00 C ATOM 2679 O PHE B 76 -4.309 5.826 -0.887 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.252 3.600 -2.472 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.157 4.701 -1.951 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.196 5.943 -2.598 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -7.944 4.484 -0.810 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.019 6.963 -2.108 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.765 5.506 -0.321 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.802 6.745 -0.969 1.00 0.00 C ATOM 0 H PHE B 76 -4.229 2.032 -2.672 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.689 4.859 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.543 3.324 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.355 2.707 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.590 6.113 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.916 3.528 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.050 7.919 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.371 5.338 0.557 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.435 7.534 -0.590 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.342 3.780 -0.107 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.010 4.248 1.261 1.00 0.00 C ATOM 2698 C VAL B 77 -2.718 5.059 1.221 1.00 0.00 C ATOM 2699 O VAL B 77 -2.583 6.069 1.876 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.810 3.041 2.160 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.430 3.522 3.556 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.103 2.235 2.225 1.00 0.00 C ATOM 0 H VAL B 77 -4.457 2.771 -0.205 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.820 4.869 1.643 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.016 2.409 1.762 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.284 2.662 4.210 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.507 4.099 3.503 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.227 4.149 3.954 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.959 1.368 2.870 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.901 2.859 2.627 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.374 1.901 1.224 1.00 0.00 H new ATOM 2712 N SER B 78 -1.765 4.622 0.457 1.00 0.00 N ATOM 2713 CA SER B 78 -0.489 5.365 0.375 1.00 0.00 C ATOM 2714 C SER B 78 -0.752 6.685 -0.343 1.00 0.00 C ATOM 2715 O SER B 78 -0.050 7.659 -0.168 1.00 0.00 O ATOM 2716 CB SER B 78 0.560 4.534 -0.378 1.00 0.00 C ATOM 2717 OG SER B 78 -0.096 3.501 -1.090 1.00 0.00 O ATOM 0 H SER B 78 -1.816 3.779 -0.116 1.00 0.00 H new ATOM 0 HA SER B 78 -0.100 5.562 1.374 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.120 5.168 -1.065 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.279 4.110 0.323 1.00 0.00 H new ATOM 0 HG SER B 78 -0.363 2.793 -0.467 1.00 0.00 H new ATOM 2723 N MET B 79 -1.772 6.716 -1.144 1.00 0.00 N ATOM 2724 CA MET B 79 -2.112 7.961 -1.883 1.00 0.00 C ATOM 2725 C MET B 79 -2.712 8.974 -0.912 1.00 0.00 C ATOM 2726 O MET B 79 -2.531 10.168 -1.057 1.00 0.00 O ATOM 2727 CB MET B 79 -3.122 7.636 -2.988 1.00 0.00 C ATOM 2728 CG MET B 79 -3.233 8.811 -3.959 1.00 0.00 C ATOM 2729 SD MET B 79 -4.767 8.650 -4.907 1.00 0.00 S ATOM 2730 CE MET B 79 -4.204 9.495 -6.402 1.00 0.00 C ATOM 0 H MET B 79 -2.392 5.926 -1.322 1.00 0.00 H new ATOM 0 HA MET B 79 -1.213 8.382 -2.333 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.811 6.739 -3.524 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.097 7.423 -2.549 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.226 9.754 -3.412 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.375 8.826 -4.631 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.058 9.701 -7.047 1.00 0.00 H new ATOM 0 HE2 MET B 79 -3.721 10.433 -6.130 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.493 8.861 -6.932 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.389 8.512 0.105 1.00 0.00 N ATOM 2741 CA VAL B 80 -3.952 9.454 1.103 1.00 0.00 C ATOM 2742 C VAL B 80 -2.842 9.688 2.107 1.00 0.00 C ATOM 2743 O VAL B 80 -2.691 10.762 2.656 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.225 8.874 1.789 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.921 7.880 0.860 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -4.883 8.156 3.106 1.00 0.00 C ATOM 0 H VAL B 80 -3.574 7.525 0.284 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.274 10.384 0.634 1.00 0.00 H new ATOM 0 HB VAL B 80 -5.884 9.715 2.006 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.809 7.482 1.352 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.212 8.385 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.239 7.062 0.626 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -5.796 7.765 3.555 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.197 7.333 2.904 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.414 8.860 3.793 1.00 0.00 H new ATOM 2756 N THR B 81 -2.040 8.677 2.333 1.00 0.00 N ATOM 2757 CA THR B 81 -0.919 8.847 3.280 1.00 0.00 C ATOM 2758 C THR B 81 0.028 9.863 2.673 1.00 0.00 C ATOM 2759 O THR B 81 0.576 10.706 3.357 1.00 0.00 O ATOM 2760 CB THR B 81 -0.179 7.519 3.462 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.115 6.478 3.702 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.804 7.604 4.634 1.00 0.00 C ATOM 0 H THR B 81 -2.119 7.755 1.904 1.00 0.00 H new ATOM 0 HA THR B 81 -1.287 9.176 4.252 1.00 0.00 H new ATOM 0 HB THR B 81 0.381 7.307 2.551 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.508 6.189 2.852 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.320 6.650 4.746 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.534 8.390 4.441 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.259 7.832 5.550 1.00 0.00 H new ATOM 2770 N THR B 82 0.242 9.786 1.384 1.00 0.00 N ATOM 2771 CA THR B 82 1.171 10.745 0.734 1.00 0.00 C ATOM 2772 C THR B 82 0.691 12.175 0.960 1.00 0.00 C ATOM 2773 O THR B 82 1.473 13.054 1.262 1.00 0.00 O ATOM 2774 CB THR B 82 1.219 10.442 -0.767 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.108 10.292 -1.253 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.006 9.141 -1.020 1.00 0.00 C ATOM 0 H THR B 82 -0.186 9.102 0.760 1.00 0.00 H new ATOM 0 HA THR B 82 2.167 10.642 1.165 1.00 0.00 H new ATOM 0 HB THR B 82 1.715 11.263 -1.284 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.744 10.466 -0.528 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.034 8.935 -2.090 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.023 9.252 -0.645 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.518 8.314 -0.504 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.586 12.429 0.838 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.072 13.813 1.074 1.00 0.00 C ATOM 2786 C ALA B 83 -0.681 14.216 2.491 1.00 0.00 C ATOM 2787 O ALA B 83 -0.258 15.329 2.742 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.595 13.857 0.930 1.00 0.00 C ATOM 0 H ALA B 83 -1.302 11.746 0.589 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.631 14.497 0.349 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.948 14.874 1.104 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.875 13.543 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.049 13.186 1.659 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.809 13.308 3.422 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.430 13.633 4.824 1.00 0.00 C ATOM 2796 C CYS B 84 1.068 13.939 4.874 1.00 0.00 C ATOM 2797 O CYS B 84 1.569 14.512 5.822 1.00 0.00 O ATOM 2798 CB CYS B 84 -0.742 12.440 5.730 1.00 0.00 C ATOM 2799 SG CYS B 84 -0.654 12.959 7.461 1.00 0.00 S ATOM 0 H CYS B 84 -1.158 12.361 3.272 1.00 0.00 H new ATOM 0 HA CYS B 84 -0.995 14.499 5.168 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -1.735 12.049 5.506 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.033 11.633 5.544 1.00 0.00 H new ATOM 0 HG CYS B 84 0.282 13.850 7.600 1.00 0.00 H new ATOM 2805 N HIS B 85 1.788 13.557 3.851 1.00 0.00 N ATOM 2806 CA HIS B 85 3.261 13.815 3.810 1.00 0.00 C ATOM 2807 C HIS B 85 3.525 15.052 2.946 1.00 0.00 C ATOM 2808 O HIS B 85 4.426 15.824 3.209 1.00 0.00 O ATOM 2809 CB HIS B 85 3.959 12.591 3.201 1.00 0.00 C ATOM 2810 CG HIS B 85 5.392 12.917 2.868 1.00 0.00 C ATOM 2811 ND1 HIS B 85 6.015 12.419 1.735 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.334 13.686 3.506 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.275 12.889 1.724 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.524 13.666 2.782 1.00 0.00 N ATOM 0 H HIS B 85 1.416 13.073 3.034 1.00 0.00 H new ATOM 0 HA HIS B 85 3.646 13.990 4.815 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.922 11.757 3.902 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.432 12.274 2.301 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.594 11.807 1.036 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.176 14.224 4.429 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.998 12.665 0.953 1.00 0.00 H new ATOM 2822 N GLU B 86 2.747 15.243 1.917 1.00 0.00 N ATOM 2823 CA GLU B 86 2.951 16.426 1.034 1.00 0.00 C ATOM 2824 C GLU B 86 2.406 17.678 1.724 1.00 0.00 C ATOM 2825 O GLU B 86 2.957 18.755 1.608 1.00 0.00 O ATOM 2826 CB GLU B 86 2.210 16.204 -0.287 1.00 0.00 C ATOM 2827 CG GLU B 86 2.291 17.472 -1.141 1.00 0.00 C ATOM 2828 CD GLU B 86 1.914 17.141 -2.586 1.00 0.00 C ATOM 2829 OE1 GLU B 86 1.634 15.985 -2.854 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.914 18.049 -3.400 1.00 0.00 O ATOM 0 H GLU B 86 1.977 14.630 1.649 1.00 0.00 H new ATOM 0 HA GLU B 86 4.015 16.557 0.837 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.648 15.363 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.168 15.950 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.619 18.233 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.299 17.885 -1.103 1.00 0.00 H new ATOM 2837 N PHE B 87 1.328 17.542 2.444 1.00 0.00 N ATOM 2838 CA PHE B 87 0.743 18.718 3.147 1.00 0.00 C ATOM 2839 C PHE B 87 1.713 19.204 4.228 1.00 0.00 C ATOM 2840 O PHE B 87 2.066 20.365 4.282 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.582 18.312 3.794 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.244 19.525 4.402 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -2.063 20.344 3.615 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.042 19.831 5.753 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.679 21.468 4.179 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.658 20.955 6.318 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.476 21.773 5.530 1.00 0.00 C ATOM 0 H PHE B 87 0.825 16.665 2.576 1.00 0.00 H new ATOM 0 HA PHE B 87 0.569 19.521 2.431 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.239 17.862 3.049 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.407 17.558 4.562 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -2.220 20.109 2.573 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.410 19.200 6.360 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.311 22.099 3.572 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.502 21.190 7.360 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.951 22.640 5.965 1.00 0.00 H new ATOM 2857 N PHE B 88 2.145 18.323 5.088 1.00 0.00 N ATOM 2858 CA PHE B 88 3.092 18.733 6.164 1.00 0.00 C ATOM 2859 C PHE B 88 4.383 19.261 5.537 1.00 0.00 C ATOM 2860 O PHE B 88 4.857 20.330 5.872 1.00 0.00 O ATOM 2861 CB PHE B 88 3.412 17.523 7.045 1.00 0.00 C ATOM 2862 CG PHE B 88 4.108 17.984 8.304 1.00 0.00 C ATOM 2863 CD1 PHE B 88 5.501 18.125 8.323 1.00 0.00 C ATOM 2864 CD2 PHE B 88 3.360 18.269 9.453 1.00 0.00 C ATOM 2865 CE1 PHE B 88 6.145 18.551 9.492 1.00 0.00 C ATOM 2866 CE2 PHE B 88 4.005 18.693 10.621 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.397 18.835 10.641 1.00 0.00 C ATOM 0 H PHE B 88 1.883 17.337 5.092 1.00 0.00 H new ATOM 0 HA PHE B 88 2.637 19.517 6.769 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.495 16.992 7.298 1.00 0.00 H new ATOM 0 HB3 PHE B 88 4.047 16.823 6.502 1.00 0.00 H new ATOM 0 HD1 PHE B 88 6.079 17.906 7.437 1.00 0.00 H new ATOM 0 HD2 PHE B 88 2.285 18.162 9.438 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.219 18.660 9.507 1.00 0.00 H new ATOM 0 HE2 PHE B 88 3.428 18.911 11.507 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.894 19.163 11.542 1.00 0.00 H new ATOM 2877 N GLU B 89 4.959 18.519 4.630 1.00 0.00 N ATOM 2878 CA GLU B 89 6.222 18.972 3.979 1.00 0.00 C ATOM 2879 C GLU B 89 5.889 19.928 2.831 1.00 0.00 C ATOM 2880 O GLU B 89 6.637 20.063 1.884 1.00 0.00 O ATOM 2881 CB GLU B 89 6.976 17.747 3.439 1.00 0.00 C ATOM 2882 CG GLU B 89 8.453 18.090 3.213 1.00 0.00 C ATOM 2883 CD GLU B 89 9.228 16.811 2.882 1.00 0.00 C ATOM 2884 OE1 GLU B 89 8.697 15.993 2.147 1.00 0.00 O ATOM 2885 OE2 GLU B 89 10.336 16.671 3.370 1.00 0.00 O ATOM 0 H GLU B 89 4.608 17.616 4.311 1.00 0.00 H new ATOM 0 HA GLU B 89 6.848 19.492 4.704 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.891 16.919 4.143 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.525 17.417 2.503 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.550 18.808 2.399 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.869 18.560 4.104 1.00 0.00 H new ATOM 2892 N HIS B 90 4.773 20.598 2.908 1.00 0.00 N ATOM 2893 CA HIS B 90 4.405 21.543 1.819 1.00 0.00 C ATOM 2894 C HIS B 90 5.364 22.734 1.837 1.00 0.00 C ATOM 2895 O HIS B 90 5.226 23.643 2.631 1.00 0.00 O ATOM 2896 CB HIS B 90 2.973 22.039 2.035 1.00 0.00 C ATOM 2897 CG HIS B 90 2.618 23.033 0.964 1.00 0.00 C ATOM 2898 ND1 HIS B 90 2.441 24.383 1.237 1.00 0.00 N ATOM 2899 CD2 HIS B 90 2.401 22.892 -0.384 1.00 0.00 C ATOM 2900 CE1 HIS B 90 2.131 24.994 0.079 1.00 0.00 C ATOM 2901 NE2 HIS B 90 2.095 24.130 -0.938 1.00 0.00 N ATOM 0 H HIS B 90 4.103 20.532 3.674 1.00 0.00 H new ATOM 0 HA HIS B 90 4.471 21.034 0.857 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.279 21.199 2.011 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.881 22.500 3.018 1.00 0.00 H new ATOM 0 HD2 HIS B 90 2.459 21.962 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS B 90 1.936 26.052 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS B 90 1.887 24.335 -1.915 1.00 0.00 H new ATOM 2910 N GLU B 91 6.334 22.735 0.967 1.00 0.00 N ATOM 2911 CA GLU B 91 7.304 23.866 0.930 1.00 0.00 C ATOM 2912 C GLU B 91 6.598 25.117 0.400 1.00 0.00 C ATOM 2913 O GLU B 91 6.499 26.079 1.145 1.00 0.00 O ATOM 2914 CB GLU B 91 8.476 23.498 0.011 1.00 0.00 C ATOM 2915 CG GLU B 91 9.466 24.667 -0.090 1.00 0.00 C ATOM 2916 CD GLU B 91 9.984 25.033 1.302 1.00 0.00 C ATOM 2917 OE1 GLU B 91 10.959 24.435 1.727 1.00 0.00 O ATOM 2918 OE2 GLU B 91 9.396 25.905 1.921 1.00 0.00 O ATOM 2919 OXT GLU B 91 6.171 25.092 -0.742 1.00 0.00 O ATOM 0 H GLU B 91 6.498 22.001 0.278 1.00 0.00 H new ATOM 0 HA GLU B 91 7.683 24.064 1.933 1.00 0.00 H new ATOM 0 HB2 GLU B 91 8.985 22.615 0.397 1.00 0.00 H new ATOM 0 HB3 GLU B 91 8.102 23.243 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU B 91 10.299 24.394 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU B 91 8.978 25.529 -0.544 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 15.751 7.726 -2.055 1.00 0.00 CA HETATM 2928 CA CA A 93 7.706 3.569 -10.225 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.402 14.017 2.142 1.00 0.00 ZN HETATM 2930 CA CA B 92 -15.151 -7.977 -2.312 1.00 0.00 CA HETATM 2931 CA CA B 93 -7.862 -2.783 -10.681 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -9.404 -14.051 1.728 1.00 0.00 ZN