USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 64 LYS NZ :NH3+ -156:sc= -2.28 (180deg=-1.68!) USER MOD Set 1.2: A 75 ASN : amide:sc= -1.96 K(o=-4.2,f=-0.48) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0502 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -7.32! K(o=-7.3!,f=-4.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0 (180deg=-0.285) USER MOD Single : A 3 GLN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0366 USER MOD Single : A 6 SER OG : rot -70:sc= -5.55! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.166 (180deg=-0.789) USER MOD Single : A 12 ASN : amide:sc= -10.4! C(o=-10!,f=-7.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.162 (180deg=-0.446) USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -0.177 (180deg=-0.668) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 31 SER OG : rot 180:sc= -0.452 USER MOD Single : A 33 CYS SG : rot 127:sc= -0.112 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.66 K(o=-1.7,f=-3!) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.696) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -149:sc= -1.41 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 95:sc= -1.96 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 62 CYS SG : rot -43:sc= -0.167 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.767 12.262 9.229 1.00 0.00 N ATOM 2 CA MET A 1 -9.439 11.596 9.275 1.00 0.00 C ATOM 3 C MET A 1 -9.305 10.713 10.512 1.00 0.00 C ATOM 4 O MET A 1 -9.184 11.210 11.631 1.00 0.00 O ATOM 5 CB MET A 1 -8.352 12.673 9.277 1.00 0.00 C ATOM 6 CG MET A 1 -8.622 13.810 10.250 1.00 0.00 C ATOM 7 SD MET A 1 -7.118 14.664 10.758 1.00 0.00 S ATOM 8 CE MET A 1 -7.739 16.325 11.005 1.00 0.00 C ATOM 0 H1 MET A 1 -10.738 13.048 8.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.490 11.575 8.934 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.004 12.630 10.172 1.00 0.00 H new ATOM 0 HA MET A 1 -9.332 10.954 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.396 12.212 9.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.256 13.082 8.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.302 14.525 9.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.126 13.416 11.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.924 16.975 11.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.158 16.699 10.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.514 16.314 11.772 1.00 0.00 H new ATOM 20 N VAL A 2 -9.328 9.400 10.303 1.00 0.00 N ATOM 21 CA VAL A 2 -9.207 8.447 11.402 1.00 0.00 C ATOM 22 C VAL A 2 -7.933 7.611 11.278 1.00 0.00 C ATOM 23 O VAL A 2 -7.807 6.558 11.903 1.00 0.00 O ATOM 24 CB VAL A 2 -10.433 7.512 11.488 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.395 6.699 12.773 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.722 8.315 11.401 1.00 0.00 C ATOM 0 H VAL A 2 -9.429 8.972 9.383 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.156 9.035 12.318 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.400 6.822 10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.267 6.046 12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.488 6.095 12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.403 7.372 13.630 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.576 7.640 11.463 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.762 9.028 12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.753 8.852 10.453 1.00 0.00 H new ATOM 36 N GLN A 3 -6.987 8.088 10.468 1.00 0.00 N ATOM 37 CA GLN A 3 -5.725 7.395 10.264 1.00 0.00 C ATOM 38 C GLN A 3 -4.860 8.192 9.299 1.00 0.00 C ATOM 39 O GLN A 3 -5.357 8.770 8.332 1.00 0.00 O ATOM 40 CB GLN A 3 -5.963 5.980 9.719 1.00 0.00 C ATOM 41 CG GLN A 3 -4.691 5.228 9.340 1.00 0.00 C ATOM 42 CD GLN A 3 -3.985 4.637 10.545 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.836 4.973 10.831 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.671 3.751 11.257 1.00 0.00 N ATOM 0 H GLN A 3 -7.077 8.957 9.942 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.212 7.306 11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.503 5.401 10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.607 6.045 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.939 4.430 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.013 5.906 8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.621 3.502 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.248 3.319 12.078 1.00 0.00 H new ATOM 53 N SER A 4 -3.570 8.234 9.578 1.00 0.00 N ATOM 54 CA SER A 4 -2.638 8.983 8.743 1.00 0.00 C ATOM 55 C SER A 4 -1.996 8.117 7.670 1.00 0.00 C ATOM 56 O SER A 4 -2.107 6.891 7.674 1.00 0.00 O ATOM 57 CB SER A 4 -1.545 9.635 9.585 1.00 0.00 C ATOM 58 OG SER A 4 -1.674 9.284 10.953 1.00 0.00 O ATOM 0 H SER A 4 -3.141 7.761 10.373 1.00 0.00 H new ATOM 0 HA SER A 4 -3.227 9.756 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.566 9.326 9.218 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.598 10.718 9.478 1.00 0.00 H new ATOM 0 HG SER A 4 -0.961 9.714 11.470 1.00 0.00 H new ATOM 64 N CYS A 5 -1.327 8.795 6.749 1.00 0.00 N ATOM 65 CA CYS A 5 -0.644 8.159 5.632 1.00 0.00 C ATOM 66 C CYS A 5 0.759 8.766 5.485 1.00 0.00 C ATOM 67 O CYS A 5 1.086 9.732 6.175 1.00 0.00 O ATOM 68 CB CYS A 5 -1.519 8.321 4.373 1.00 0.00 C ATOM 69 SG CYS A 5 -0.696 8.997 2.919 1.00 0.00 S ATOM 0 H CYS A 5 -1.242 9.811 6.756 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.504 7.091 5.797 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.930 7.346 4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.362 8.966 4.621 1.00 0.00 H new ATOM 74 N SER A 6 1.594 8.201 4.613 1.00 0.00 N ATOM 75 CA SER A 6 2.953 8.711 4.438 1.00 0.00 C ATOM 76 C SER A 6 2.937 10.060 3.743 1.00 0.00 C ATOM 77 O SER A 6 3.608 11.000 4.166 1.00 0.00 O ATOM 78 CB SER A 6 3.798 7.724 3.636 1.00 0.00 C ATOM 79 OG SER A 6 5.160 8.114 3.631 1.00 0.00 O ATOM 0 H SER A 6 1.358 7.402 4.025 1.00 0.00 H new ATOM 0 HA SER A 6 3.396 8.833 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.703 6.726 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.427 7.669 2.612 1.00 0.00 H new ATOM 0 HG SER A 6 5.267 8.922 3.087 1.00 0.00 H new ATOM 85 N ALA A 7 2.162 10.138 2.672 1.00 0.00 N ATOM 86 CA ALA A 7 2.039 11.371 1.892 1.00 0.00 C ATOM 87 C ALA A 7 1.954 12.601 2.797 1.00 0.00 C ATOM 88 O ALA A 7 1.133 12.655 3.714 1.00 0.00 O ATOM 89 CB ALA A 7 0.822 11.298 0.980 1.00 0.00 C ATOM 0 H ALA A 7 1.604 9.361 2.318 1.00 0.00 H new ATOM 0 HA ALA A 7 2.936 11.471 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.742 12.221 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.928 10.454 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.077 11.167 1.582 1.00 0.00 H new ATOM 95 N TYR A 8 2.815 13.581 2.538 1.00 0.00 N ATOM 96 CA TYR A 8 2.852 14.807 3.332 1.00 0.00 C ATOM 97 C TYR A 8 1.514 15.542 3.288 1.00 0.00 C ATOM 98 O TYR A 8 0.972 15.801 2.214 1.00 0.00 O ATOM 99 CB TYR A 8 3.964 15.729 2.828 1.00 0.00 C ATOM 100 CG TYR A 8 4.179 16.951 3.695 1.00 0.00 C ATOM 101 CD1 TYR A 8 3.234 17.969 3.741 1.00 0.00 C ATOM 102 CD2 TYR A 8 5.327 17.088 4.467 1.00 0.00 C ATOM 103 CE1 TYR A 8 3.425 19.085 4.532 1.00 0.00 C ATOM 104 CE2 TYR A 8 5.524 18.202 5.261 1.00 0.00 C ATOM 105 CZ TYR A 8 4.572 19.197 5.290 1.00 0.00 C ATOM 106 OH TYR A 8 4.766 20.308 6.078 1.00 0.00 O ATOM 0 H TYR A 8 3.499 13.550 1.782 1.00 0.00 H new ATOM 0 HA TYR A 8 3.052 14.526 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.895 15.165 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.726 16.051 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.335 17.886 3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.077 16.311 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.680 19.866 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.421 18.292 5.856 1.00 0.00 H new ATOM 0 HH TYR A 8 5.622 20.230 6.548 1.00 0.00 H new ATOM 116 N GLY A 9 0.996 15.882 4.467 1.00 0.00 N ATOM 117 CA GLY A 9 -0.270 16.596 4.557 1.00 0.00 C ATOM 118 C GLY A 9 -1.331 16.031 3.640 1.00 0.00 C ATOM 119 O GLY A 9 -1.946 16.758 2.859 1.00 0.00 O ATOM 0 H GLY A 9 1.432 15.675 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.629 16.560 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.107 17.646 4.313 1.00 0.00 H new ATOM 123 N CYS A 10 -1.536 14.733 3.735 1.00 0.00 N ATOM 124 CA CYS A 10 -2.517 14.048 2.917 1.00 0.00 C ATOM 125 C CYS A 10 -3.936 14.312 3.427 1.00 0.00 C ATOM 126 O CYS A 10 -4.125 14.724 4.571 1.00 0.00 O ATOM 127 CB CYS A 10 -2.210 12.552 2.906 1.00 0.00 C ATOM 128 SG CYS A 10 -3.149 11.630 1.674 1.00 0.00 S ATOM 0 H CYS A 10 -1.030 14.125 4.379 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.461 14.431 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.145 12.410 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.419 12.140 3.893 1.00 0.00 H new ATOM 133 N LYS A 11 -4.931 14.087 2.568 1.00 0.00 N ATOM 134 CA LYS A 11 -6.326 14.315 2.928 1.00 0.00 C ATOM 135 C LYS A 11 -7.068 13.003 3.176 1.00 0.00 C ATOM 136 O LYS A 11 -8.298 12.963 3.170 1.00 0.00 O ATOM 137 CB LYS A 11 -7.032 15.111 1.829 1.00 0.00 C ATOM 138 CG LYS A 11 -7.898 16.238 2.359 1.00 0.00 C ATOM 139 CD LYS A 11 -7.084 17.504 2.549 1.00 0.00 C ATOM 140 CE LYS A 11 -7.820 18.514 3.415 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.153 17.960 4.755 1.00 0.00 N ATOM 0 H LYS A 11 -4.793 13.746 1.616 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.337 14.887 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.283 15.525 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.651 14.433 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.718 16.429 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.345 15.943 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.127 17.257 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.866 17.947 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.205 19.406 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.736 18.823 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.252 18.738 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.047 17.432 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.393 17.322 5.066 1.00 0.00 H new ATOM 155 N ASN A 12 -6.312 11.938 3.394 1.00 0.00 N ATOM 156 CA ASN A 12 -6.875 10.623 3.644 1.00 0.00 C ATOM 157 C ASN A 12 -7.814 10.622 4.848 1.00 0.00 C ATOM 158 O ASN A 12 -7.778 11.528 5.681 1.00 0.00 O ATOM 159 CB ASN A 12 -5.742 9.642 3.892 1.00 0.00 C ATOM 160 CG ASN A 12 -5.089 9.859 5.242 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.414 10.800 5.964 1.00 0.00 O ATOM 162 ND2 ASN A 12 -4.160 8.993 5.579 1.00 0.00 N ATOM 0 H ASN A 12 -5.292 11.962 3.402 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.457 10.332 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.125 8.623 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.994 9.746 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.676 9.086 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.923 8.228 4.948 1.00 0.00 H new ATOM 169 N ARG A 13 -8.635 9.580 4.942 1.00 0.00 N ATOM 170 CA ARG A 13 -9.569 9.438 6.062 1.00 0.00 C ATOM 171 C ARG A 13 -10.127 8.021 6.147 1.00 0.00 C ATOM 172 O ARG A 13 -10.862 7.582 5.265 1.00 0.00 O ATOM 173 CB ARG A 13 -10.720 10.445 5.949 1.00 0.00 C ATOM 174 CG ARG A 13 -10.966 10.952 4.533 1.00 0.00 C ATOM 175 CD ARG A 13 -12.053 12.017 4.491 1.00 0.00 C ATOM 176 NE ARG A 13 -11.702 13.120 3.599 1.00 0.00 N ATOM 177 CZ ARG A 13 -11.541 12.988 2.284 1.00 0.00 C ATOM 178 NH1 ARG A 13 -11.705 11.807 1.703 1.00 0.00 N ATOM 179 NH2 ARG A 13 -11.217 14.043 1.548 1.00 0.00 N ATOM 0 H ARG A 13 -8.675 8.822 4.260 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.010 9.643 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.633 9.980 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.509 11.296 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.041 11.362 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.251 10.117 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.989 11.567 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.222 12.403 5.496 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.573 14.045 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.956 10.993 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.580 11.713 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.092 14.954 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.093 13.943 0.540 1.00 0.00 H new ATOM 193 N TYR A 14 -9.779 7.308 7.219 1.00 0.00 N ATOM 194 CA TYR A 14 -10.249 5.945 7.409 1.00 0.00 C ATOM 195 C TYR A 14 -11.703 5.928 7.868 1.00 0.00 C ATOM 196 O TYR A 14 -11.988 5.791 9.057 1.00 0.00 O ATOM 197 CB TYR A 14 -9.365 5.232 8.428 1.00 0.00 C ATOM 198 CG TYR A 14 -9.659 3.755 8.554 1.00 0.00 C ATOM 199 CD1 TYR A 14 -9.057 2.833 7.707 1.00 0.00 C ATOM 200 CD2 TYR A 14 -10.538 3.282 9.520 1.00 0.00 C ATOM 201 CE1 TYR A 14 -9.322 1.481 7.820 1.00 0.00 C ATOM 202 CE2 TYR A 14 -10.810 1.933 9.640 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.199 1.037 8.788 1.00 0.00 C ATOM 204 OH TYR A 14 -10.466 -0.309 8.903 1.00 0.00 O ATOM 0 H TYR A 14 -9.175 7.655 7.964 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.191 5.422 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.320 5.363 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.494 5.704 9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.371 3.178 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.017 3.981 10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.845 0.777 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.497 1.582 10.396 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.103 -0.455 9.634 1.00 0.00 H new ATOM 214 N ASP A 15 -12.618 6.069 6.913 1.00 0.00 N ATOM 215 CA ASP A 15 -14.045 6.071 7.214 1.00 0.00 C ATOM 216 C ASP A 15 -14.763 4.959 6.457 1.00 0.00 C ATOM 217 O ASP A 15 -14.304 4.518 5.402 1.00 0.00 O ATOM 218 CB ASP A 15 -14.660 7.422 6.851 1.00 0.00 C ATOM 219 CG ASP A 15 -16.066 7.581 7.395 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.413 6.867 8.361 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.820 8.417 6.857 1.00 0.00 O ATOM 0 H ASP A 15 -12.396 6.183 5.924 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.165 5.897 8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.030 8.222 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.678 7.530 5.767 1.00 0.00 H new ATOM 226 N LYS A 16 -15.892 4.511 6.996 1.00 0.00 N ATOM 227 CA LYS A 16 -16.671 3.454 6.361 1.00 0.00 C ATOM 228 C LYS A 16 -17.252 3.936 5.037 1.00 0.00 C ATOM 229 O LYS A 16 -17.498 3.144 4.127 1.00 0.00 O ATOM 230 CB LYS A 16 -17.795 2.986 7.291 1.00 0.00 C ATOM 231 CG LYS A 16 -18.885 4.026 7.508 1.00 0.00 C ATOM 232 CD LYS A 16 -19.106 4.310 8.987 1.00 0.00 C ATOM 233 CE LYS A 16 -20.233 5.309 9.207 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.166 6.445 8.246 1.00 0.00 N ATOM 0 H LYS A 16 -16.287 4.862 7.868 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.007 2.613 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.244 2.083 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.367 2.715 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.614 4.950 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.816 3.676 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.338 3.380 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.186 4.697 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.192 4.802 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.184 5.693 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.803 7.204 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.192 6.806 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.456 6.119 7.302 1.00 0.00 H new ATOM 248 N ASP A 17 -17.464 5.241 4.941 1.00 0.00 N ATOM 249 CA ASP A 17 -18.010 5.852 3.742 1.00 0.00 C ATOM 250 C ASP A 17 -16.926 6.012 2.684 1.00 0.00 C ATOM 251 O ASP A 17 -17.099 5.610 1.534 1.00 0.00 O ATOM 252 CB ASP A 17 -18.594 7.217 4.092 1.00 0.00 C ATOM 253 CG ASP A 17 -20.107 7.243 3.991 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.662 6.468 3.185 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.737 8.040 4.720 1.00 0.00 O ATOM 0 H ASP A 17 -17.262 5.902 5.691 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.793 5.208 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.296 7.488 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.175 7.970 3.424 1.00 0.00 H new ATOM 260 N LYS A 18 -15.809 6.604 3.091 1.00 0.00 N ATOM 261 CA LYS A 18 -14.681 6.832 2.205 1.00 0.00 C ATOM 262 C LYS A 18 -13.864 5.545 2.050 1.00 0.00 C ATOM 263 O LYS A 18 -13.153 5.147 2.973 1.00 0.00 O ATOM 264 CB LYS A 18 -13.823 7.939 2.811 1.00 0.00 C ATOM 265 CG LYS A 18 -12.931 8.722 1.839 1.00 0.00 C ATOM 266 CD LYS A 18 -12.550 7.948 0.580 1.00 0.00 C ATOM 267 CE LYS A 18 -13.430 8.334 -0.602 1.00 0.00 C ATOM 268 NZ LYS A 18 -13.269 9.768 -0.966 1.00 0.00 N ATOM 0 H LYS A 18 -15.663 6.938 4.044 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.029 7.129 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.483 8.646 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.187 7.497 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.446 9.637 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.020 9.020 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.506 8.141 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.641 6.878 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.179 7.711 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.474 8.136 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.517 9.902 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.896 10.349 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.282 10.056 -0.812 1.00 0.00 H new ATOM 282 N PRO A 19 -13.964 4.861 0.893 1.00 0.00 N ATOM 283 CA PRO A 19 -13.243 3.603 0.644 1.00 0.00 C ATOM 284 C PRO A 19 -11.738 3.760 0.473 1.00 0.00 C ATOM 285 O PRO A 19 -11.102 3.010 -0.267 1.00 0.00 O ATOM 286 CB PRO A 19 -13.842 3.112 -0.662 1.00 0.00 C ATOM 287 CG PRO A 19 -14.298 4.360 -1.344 1.00 0.00 C ATOM 288 CD PRO A 19 -14.808 5.230 -0.256 1.00 0.00 C ATOM 0 HA PRO A 19 -13.353 2.931 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.106 2.576 -1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.672 2.427 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.478 4.838 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.077 4.147 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.709 6.286 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.864 5.047 -0.055 1.00 0.00 H new ATOM 296 N VAL A 20 -11.183 4.727 1.155 1.00 0.00 N ATOM 297 CA VAL A 20 -9.755 4.995 1.095 1.00 0.00 C ATOM 298 C VAL A 20 -8.968 3.999 1.946 1.00 0.00 C ATOM 299 O VAL A 20 -8.607 4.285 3.087 1.00 0.00 O ATOM 300 CB VAL A 20 -9.452 6.432 1.560 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.824 6.625 3.021 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.994 6.783 1.314 1.00 0.00 C ATOM 0 H VAL A 20 -11.700 5.355 1.770 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.443 4.883 0.057 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.066 7.113 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.599 7.648 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.889 6.433 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.251 5.932 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.803 7.802 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.356 6.093 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.776 6.705 0.249 1.00 0.00 H new ATOM 312 N SER A 21 -8.704 2.823 1.383 1.00 0.00 N ATOM 313 CA SER A 21 -7.963 1.790 2.095 1.00 0.00 C ATOM 314 C SER A 21 -6.539 2.243 2.396 1.00 0.00 C ATOM 315 O SER A 21 -6.034 3.189 1.792 1.00 0.00 O ATOM 316 CB SER A 21 -7.933 0.495 1.282 1.00 0.00 C ATOM 317 OG SER A 21 -7.991 0.763 -0.109 1.00 0.00 O ATOM 0 H SER A 21 -8.992 2.564 0.439 1.00 0.00 H new ATOM 0 HA SER A 21 -8.474 1.607 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.023 -0.060 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.773 -0.137 1.569 1.00 0.00 H new ATOM 0 HG SER A 21 -7.969 -0.081 -0.606 1.00 0.00 H new ATOM 323 N PHE A 22 -5.900 1.557 3.337 1.00 0.00 N ATOM 324 CA PHE A 22 -4.534 1.879 3.731 1.00 0.00 C ATOM 325 C PHE A 22 -3.639 0.648 3.599 1.00 0.00 C ATOM 326 O PHE A 22 -4.112 -0.484 3.696 1.00 0.00 O ATOM 327 CB PHE A 22 -4.515 2.415 5.163 1.00 0.00 C ATOM 328 CG PHE A 22 -4.942 3.856 5.261 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.193 4.257 4.810 1.00 0.00 C ATOM 330 CD2 PHE A 22 -4.089 4.813 5.786 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.579 5.583 4.877 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.474 6.138 5.861 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.721 6.524 5.403 1.00 0.00 C ATOM 0 H PHE A 22 -6.308 0.771 3.843 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.146 2.652 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.173 1.805 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.509 2.312 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.873 3.524 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.112 4.520 6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.553 5.881 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.801 6.873 6.277 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.021 7.560 5.458 1.00 0.00 H new ATOM 343 N HIS A 23 -2.350 0.872 3.353 1.00 0.00 N ATOM 344 CA HIS A 23 -1.406 -0.230 3.182 1.00 0.00 C ATOM 345 C HIS A 23 -0.035 0.110 3.767 1.00 0.00 C ATOM 346 O HIS A 23 0.608 1.065 3.346 1.00 0.00 O ATOM 347 CB HIS A 23 -1.261 -0.563 1.694 1.00 0.00 C ATOM 348 CG HIS A 23 -2.527 -0.395 0.912 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.173 -1.435 0.278 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.268 0.707 0.668 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.258 -0.975 -0.322 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.337 0.322 -0.100 1.00 0.00 N ATOM 0 H HIS A 23 -1.937 1.801 3.268 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.799 -1.094 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.490 0.075 1.262 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.916 -1.592 1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.057 1.708 1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.960 -1.562 -0.896 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.073 0.939 -0.443 1.00 0.00 H new ATOM 361 N LYS A 24 0.410 -0.688 4.732 1.00 0.00 N ATOM 362 CA LYS A 24 1.712 -0.480 5.371 1.00 0.00 C ATOM 363 C LYS A 24 2.848 -0.750 4.386 1.00 0.00 C ATOM 364 O LYS A 24 2.636 -1.382 3.351 1.00 0.00 O ATOM 365 CB LYS A 24 1.852 -1.394 6.593 1.00 0.00 C ATOM 366 CG LYS A 24 1.705 -0.670 7.923 1.00 0.00 C ATOM 367 CD LYS A 24 0.415 0.132 7.985 1.00 0.00 C ATOM 368 CE LYS A 24 0.427 1.120 9.141 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.903 1.759 9.340 1.00 0.00 N ATOM 0 H LYS A 24 -0.111 -1.488 5.092 1.00 0.00 H new ATOM 0 HA LYS A 24 1.773 0.560 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.101 -2.181 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.827 -1.881 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.722 -1.395 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.555 -0.004 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.274 0.670 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.431 -0.546 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.723 0.605 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.175 1.890 8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.852 2.425 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.174 2.272 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.613 1.027 9.545 1.00 0.00 H new ATOM 383 N PHE A 25 4.057 -0.282 4.708 1.00 0.00 N ATOM 384 CA PHE A 25 5.196 -0.509 3.825 1.00 0.00 C ATOM 385 C PHE A 25 5.515 -1.997 3.774 1.00 0.00 C ATOM 386 O PHE A 25 5.875 -2.606 4.781 1.00 0.00 O ATOM 387 CB PHE A 25 6.421 0.313 4.241 1.00 0.00 C ATOM 388 CG PHE A 25 6.744 1.394 3.240 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.123 2.631 3.312 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.651 1.165 2.214 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.397 3.618 2.379 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.932 2.151 1.281 1.00 0.00 C ATOM 393 CZ PHE A 25 7.302 3.377 1.363 1.00 0.00 C ATOM 0 H PHE A 25 4.267 0.245 5.556 1.00 0.00 H new ATOM 0 HA PHE A 25 4.926 -0.170 2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.240 0.765 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.281 -0.348 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.417 2.828 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.144 0.207 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.903 4.576 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.643 1.960 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.516 4.145 0.635 1.00 0.00 H new ATOM 403 N PRO A 26 5.336 -2.605 2.593 1.00 0.00 N ATOM 404 CA PRO A 26 5.546 -4.035 2.387 1.00 0.00 C ATOM 405 C PRO A 26 6.984 -4.400 2.034 1.00 0.00 C ATOM 406 O PRO A 26 7.749 -3.566 1.548 1.00 0.00 O ATOM 407 CB PRO A 26 4.614 -4.304 1.214 1.00 0.00 C ATOM 408 CG PRO A 26 4.737 -3.081 0.382 1.00 0.00 C ATOM 409 CD PRO A 26 4.863 -1.948 1.358 1.00 0.00 C ATOM 0 HA PRO A 26 5.351 -4.622 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.911 -5.196 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.588 -4.462 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.608 -3.136 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.865 -2.952 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.569 -1.195 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.909 -1.444 1.512 1.00 0.00 H new ATOM 417 N LEU A 27 7.342 -5.657 2.287 1.00 0.00 N ATOM 418 CA LEU A 27 8.679 -6.153 2.004 1.00 0.00 C ATOM 419 C LEU A 27 8.672 -7.160 0.852 1.00 0.00 C ATOM 420 O LEU A 27 9.719 -7.462 0.278 1.00 0.00 O ATOM 421 CB LEU A 27 9.280 -6.799 3.255 1.00 0.00 C ATOM 422 CG LEU A 27 9.409 -5.872 4.463 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.424 -6.677 5.753 1.00 0.00 C ATOM 424 CD2 LEU A 27 10.663 -5.018 4.349 1.00 0.00 C ATOM 0 H LEU A 27 6.715 -6.353 2.691 1.00 0.00 H new ATOM 0 HA LEU A 27 9.291 -5.302 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.664 -7.653 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.268 -7.186 3.006 1.00 0.00 H new ATOM 0 HG LEU A 27 8.544 -5.209 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.516 -6.001 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.497 -7.243 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.270 -7.365 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.738 -4.364 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.540 -5.664 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.610 -4.413 3.444 1.00 0.00 H new ATOM 436 N THR A 28 7.492 -7.675 0.512 1.00 0.00 N ATOM 437 CA THR A 28 7.368 -8.641 -0.576 1.00 0.00 C ATOM 438 C THR A 28 7.767 -7.991 -1.893 1.00 0.00 C ATOM 439 O THR A 28 8.318 -8.640 -2.781 1.00 0.00 O ATOM 440 CB THR A 28 5.935 -9.169 -0.662 1.00 0.00 C ATOM 441 OG1 THR A 28 5.016 -8.205 -0.182 1.00 0.00 O ATOM 442 CG2 THR A 28 5.719 -10.443 0.127 1.00 0.00 C ATOM 0 H THR A 28 6.612 -7.441 0.972 1.00 0.00 H new ATOM 0 HA THR A 28 8.034 -9.481 -0.377 1.00 0.00 H new ATOM 0 HB THR A 28 5.768 -9.382 -1.718 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.105 -8.561 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.682 -10.764 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.380 -11.223 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.939 -10.261 1.179 1.00 0.00 H new ATOM 450 N ARG A 29 7.484 -6.700 -1.996 1.00 0.00 N ATOM 451 CA ARG A 29 7.801 -5.916 -3.171 1.00 0.00 C ATOM 452 C ARG A 29 8.986 -5.006 -2.856 1.00 0.00 C ATOM 453 O ARG A 29 8.808 -3.970 -2.226 1.00 0.00 O ATOM 454 CB ARG A 29 6.563 -5.105 -3.544 1.00 0.00 C ATOM 455 CG ARG A 29 6.753 -4.219 -4.754 1.00 0.00 C ATOM 456 CD ARG A 29 6.693 -2.756 -4.358 1.00 0.00 C ATOM 457 NE ARG A 29 5.358 -2.190 -4.570 1.00 0.00 N ATOM 458 CZ ARG A 29 5.105 -0.999 -5.136 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.087 -0.166 -5.499 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.849 -0.634 -5.325 1.00 0.00 N ATOM 0 H ARG A 29 7.024 -6.167 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 29 8.077 -6.553 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.736 -5.789 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.277 -4.486 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.713 -4.435 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.981 -4.433 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.970 -2.652 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.423 -2.192 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 29 4.558 -2.744 -4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.061 -0.429 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.862 0.732 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.090 -1.254 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.639 0.267 -5.754 1.00 0.00 H new ATOM 474 N PRO A 30 10.222 -5.413 -3.239 1.00 0.00 N ATOM 475 CA PRO A 30 11.446 -4.656 -2.949 1.00 0.00 C ATOM 476 C PRO A 30 11.910 -3.692 -4.050 1.00 0.00 C ATOM 477 O PRO A 30 11.831 -2.479 -3.881 1.00 0.00 O ATOM 478 CB PRO A 30 12.452 -5.766 -2.746 1.00 0.00 C ATOM 479 CG PRO A 30 12.007 -6.880 -3.647 1.00 0.00 C ATOM 480 CD PRO A 30 10.534 -6.672 -3.936 1.00 0.00 C ATOM 0 HA PRO A 30 11.301 -3.983 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.459 -5.434 -3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.476 -6.089 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.583 -6.878 -4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.171 -7.847 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.342 -6.597 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.931 -7.499 -3.561 1.00 0.00 H new ATOM 488 N SER A 31 12.411 -4.212 -5.172 1.00 0.00 N ATOM 489 CA SER A 31 12.881 -3.342 -6.254 1.00 0.00 C ATOM 490 C SER A 31 11.810 -2.328 -6.595 1.00 0.00 C ATOM 491 O SER A 31 12.036 -1.118 -6.568 1.00 0.00 O ATOM 492 CB SER A 31 13.249 -4.166 -7.489 1.00 0.00 C ATOM 493 OG SER A 31 12.095 -4.512 -8.236 1.00 0.00 O ATOM 0 H SER A 31 12.501 -5.211 -5.355 1.00 0.00 H new ATOM 0 HA SER A 31 13.776 -2.817 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.935 -3.598 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.772 -5.072 -7.183 1.00 0.00 H new ATOM 0 HG SER A 31 12.358 -5.037 -9.021 1.00 0.00 H new ATOM 499 N LEU A 32 10.631 -2.844 -6.855 1.00 0.00 N ATOM 500 CA LEU A 32 9.479 -2.019 -7.148 1.00 0.00 C ATOM 501 C LEU A 32 9.239 -1.084 -5.964 1.00 0.00 C ATOM 502 O LEU A 32 8.821 0.060 -6.121 1.00 0.00 O ATOM 503 CB LEU A 32 8.271 -2.920 -7.361 1.00 0.00 C ATOM 504 CG LEU A 32 6.935 -2.216 -7.624 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.133 -0.869 -8.302 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.038 -3.097 -8.473 1.00 0.00 C ATOM 0 H LEU A 32 10.442 -3.846 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 32 9.645 -1.428 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.481 -3.580 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.157 -3.552 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 32 6.460 -2.037 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.163 -0.401 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.739 -0.226 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.638 -1.013 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.092 -2.587 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.526 -3.303 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.850 -4.035 -7.951 1.00 0.00 H new ATOM 518 N CYS A 33 9.522 -1.604 -4.765 1.00 0.00 N ATOM 519 CA CYS A 33 9.353 -0.852 -3.524 1.00 0.00 C ATOM 520 C CYS A 33 10.037 0.502 -3.602 1.00 0.00 C ATOM 521 O CYS A 33 9.579 1.474 -3.009 1.00 0.00 O ATOM 522 CB CYS A 33 9.937 -1.633 -2.358 1.00 0.00 C ATOM 523 SG CYS A 33 9.147 -1.294 -0.768 1.00 0.00 S ATOM 0 H CYS A 33 9.872 -2.553 -4.631 1.00 0.00 H new ATOM 0 HA CYS A 33 8.285 -0.698 -3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.855 -2.699 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.000 -1.405 -2.279 1.00 0.00 H new ATOM 0 HG CYS A 33 8.765 -2.412 -0.226 1.00 0.00 H new ATOM 529 N LYS A 34 11.131 0.565 -4.348 1.00 0.00 N ATOM 530 CA LYS A 34 11.856 1.808 -4.512 1.00 0.00 C ATOM 531 C LYS A 34 10.864 2.876 -4.940 1.00 0.00 C ATOM 532 O LYS A 34 10.923 4.024 -4.505 1.00 0.00 O ATOM 533 CB LYS A 34 12.971 1.631 -5.563 1.00 0.00 C ATOM 534 CG LYS A 34 13.485 2.942 -6.147 1.00 0.00 C ATOM 535 CD LYS A 34 14.705 2.730 -7.038 1.00 0.00 C ATOM 536 CE LYS A 34 14.503 1.596 -8.038 1.00 0.00 C ATOM 537 NZ LYS A 34 15.002 1.957 -9.394 1.00 0.00 N ATOM 0 H LYS A 34 11.532 -0.230 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 34 12.330 2.105 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.804 1.096 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.596 1.006 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.692 3.417 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.742 3.624 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.923 3.652 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.573 2.512 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.022 0.704 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.443 1.347 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.847 1.161 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.490 2.793 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.019 2.170 -9.344 1.00 0.00 H new ATOM 551 N GLU A 35 9.923 2.451 -5.771 1.00 0.00 N ATOM 552 CA GLU A 35 8.878 3.312 -6.260 1.00 0.00 C ATOM 553 C GLU A 35 8.103 3.899 -5.100 1.00 0.00 C ATOM 554 O GLU A 35 7.765 5.084 -5.081 1.00 0.00 O ATOM 555 CB GLU A 35 7.934 2.517 -7.162 1.00 0.00 C ATOM 556 CG GLU A 35 8.644 1.900 -8.337 1.00 0.00 C ATOM 557 CD GLU A 35 7.733 1.679 -9.528 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.726 2.408 -9.647 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.030 0.780 -10.345 1.00 0.00 O ATOM 0 H GLU A 35 9.871 1.494 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 35 9.326 4.123 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.454 1.732 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.143 3.174 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.472 2.544 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.075 0.946 -8.034 1.00 0.00 H new ATOM 566 N TRP A 36 7.851 3.047 -4.121 1.00 0.00 N ATOM 567 CA TRP A 36 7.127 3.455 -2.925 1.00 0.00 C ATOM 568 C TRP A 36 7.852 4.590 -2.237 1.00 0.00 C ATOM 569 O TRP A 36 7.224 5.471 -1.649 1.00 0.00 O ATOM 570 CB TRP A 36 6.913 2.288 -1.987 1.00 0.00 C ATOM 571 CG TRP A 36 5.579 1.633 -2.143 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.946 1.282 -3.297 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.711 1.264 -1.082 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.737 0.686 -3.009 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.576 0.665 -1.641 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.794 1.377 0.295 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.536 0.180 -0.839 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.764 0.902 1.058 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.662 0.316 0.500 1.00 0.00 C ATOM 0 H TRP A 36 8.136 2.068 -4.129 1.00 0.00 H new ATOM 0 HA TRP A 36 6.141 3.811 -3.225 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.694 1.547 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.021 2.634 -0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.334 1.447 -4.291 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.074 0.322 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.657 1.832 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.664 -0.286 -1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.822 0.992 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.874 -0.047 1.144 1.00 0.00 H new ATOM 590 N GLU A 37 9.176 4.604 -2.351 1.00 0.00 N ATOM 591 CA GLU A 37 9.954 5.680 -1.761 1.00 0.00 C ATOM 592 C GLU A 37 9.415 7.013 -2.246 1.00 0.00 C ATOM 593 O GLU A 37 9.282 7.968 -1.479 1.00 0.00 O ATOM 594 CB GLU A 37 11.421 5.539 -2.147 1.00 0.00 C ATOM 595 CG GLU A 37 12.029 4.211 -1.737 1.00 0.00 C ATOM 596 CD GLU A 37 13.396 4.366 -1.099 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.644 5.419 -0.475 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.218 3.434 -1.224 1.00 0.00 O ATOM 0 H GLU A 37 9.723 3.894 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 37 9.874 5.630 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.517 5.656 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.989 6.347 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.360 3.711 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.112 3.568 -2.613 1.00 0.00 H new ATOM 605 N ALA A 38 9.072 7.049 -3.524 1.00 0.00 N ATOM 606 CA ALA A 38 8.511 8.248 -4.122 1.00 0.00 C ATOM 607 C ALA A 38 7.199 8.582 -3.441 1.00 0.00 C ATOM 608 O ALA A 38 6.882 9.746 -3.197 1.00 0.00 O ATOM 609 CB ALA A 38 8.310 8.059 -5.619 1.00 0.00 C ATOM 0 H ALA A 38 9.172 6.262 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 38 9.206 9.076 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.889 8.969 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.269 7.846 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.628 7.227 -5.792 1.00 0.00 H new ATOM 615 N ALA A 39 6.462 7.535 -3.104 1.00 0.00 N ATOM 616 CA ALA A 39 5.190 7.672 -2.415 1.00 0.00 C ATOM 617 C ALA A 39 5.348 8.547 -1.182 1.00 0.00 C ATOM 618 O ALA A 39 4.396 9.181 -0.726 1.00 0.00 O ATOM 619 CB ALA A 39 4.667 6.301 -2.017 1.00 0.00 C ATOM 0 H ALA A 39 6.728 6.570 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 39 4.475 8.145 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.713 6.411 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.528 5.691 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.384 5.816 -1.354 1.00 0.00 H new ATOM 625 N VAL A 40 6.561 8.562 -0.640 1.00 0.00 N ATOM 626 CA VAL A 40 6.850 9.339 0.547 1.00 0.00 C ATOM 627 C VAL A 40 7.485 10.681 0.191 1.00 0.00 C ATOM 628 O VAL A 40 6.902 11.737 0.434 1.00 0.00 O ATOM 629 CB VAL A 40 7.785 8.549 1.490 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.203 9.382 2.692 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.119 7.257 1.932 1.00 0.00 C ATOM 0 H VAL A 40 7.357 8.042 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 40 5.906 9.533 1.056 1.00 0.00 H new ATOM 0 HB VAL A 40 8.691 8.303 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.860 8.793 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.731 10.273 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.318 9.678 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.789 6.711 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.193 7.487 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.896 6.645 1.058 1.00 0.00 H new ATOM 641 N ARG A 41 8.680 10.631 -0.388 1.00 0.00 N ATOM 642 CA ARG A 41 9.391 11.842 -0.781 1.00 0.00 C ATOM 643 C ARG A 41 9.723 12.709 0.437 1.00 0.00 C ATOM 644 O ARG A 41 9.934 13.915 0.315 1.00 0.00 O ATOM 645 CB ARG A 41 8.544 12.633 -1.791 1.00 0.00 C ATOM 646 CG ARG A 41 9.163 13.953 -2.233 1.00 0.00 C ATOM 647 CD ARG A 41 8.350 15.138 -1.735 1.00 0.00 C ATOM 648 NE ARG A 41 9.145 16.043 -0.909 1.00 0.00 N ATOM 649 CZ ARG A 41 8.619 16.920 -0.057 1.00 0.00 C ATOM 650 NH1 ARG A 41 7.303 17.019 0.079 1.00 0.00 N ATOM 651 NH2 ARG A 41 9.413 17.702 0.662 1.00 0.00 N ATOM 0 H ARG A 41 9.177 9.765 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 41 10.333 11.555 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.375 12.012 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.567 12.833 -1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.183 14.024 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.224 13.982 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.948 15.685 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.498 14.776 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 41 10.161 16.001 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.687 16.421 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.907 17.693 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.426 17.631 0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.011 18.374 1.315 1.00 0.00 H new ATOM 665 N ARG A 42 9.779 12.090 1.614 1.00 0.00 N ATOM 666 CA ARG A 42 10.099 12.821 2.839 1.00 0.00 C ATOM 667 C ARG A 42 11.600 12.784 3.116 1.00 0.00 C ATOM 668 O ARG A 42 12.393 12.424 2.246 1.00 0.00 O ATOM 669 CB ARG A 42 9.331 12.243 4.031 1.00 0.00 C ATOM 670 CG ARG A 42 8.702 13.302 4.924 1.00 0.00 C ATOM 671 CD ARG A 42 7.803 14.241 4.134 1.00 0.00 C ATOM 672 NE ARG A 42 7.022 13.534 3.121 1.00 0.00 N ATOM 673 CZ ARG A 42 5.944 12.803 3.392 1.00 0.00 C ATOM 674 NH1 ARG A 42 5.511 12.686 4.641 1.00 0.00 N ATOM 675 NH2 ARG A 42 5.297 12.187 2.413 1.00 0.00 N ATOM 0 H ARG A 42 9.609 11.093 1.746 1.00 0.00 H new ATOM 0 HA ARG A 42 9.797 13.859 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.548 11.581 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.009 11.633 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.122 12.818 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.487 13.877 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.128 14.756 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.413 15.006 3.652 1.00 0.00 H new ATOM 0 HE ARG A 42 7.321 13.605 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.005 13.158 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.684 12.124 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.626 12.273 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.471 11.627 2.621 1.00 0.00 H new ATOM 689 N LYS A 43 11.984 13.161 4.333 1.00 0.00 N ATOM 690 CA LYS A 43 13.389 13.172 4.724 1.00 0.00 C ATOM 691 C LYS A 43 13.937 11.752 4.839 1.00 0.00 C ATOM 692 O LYS A 43 15.001 11.442 4.305 1.00 0.00 O ATOM 693 CB LYS A 43 13.563 13.912 6.052 1.00 0.00 C ATOM 694 CG LYS A 43 12.815 13.270 7.209 1.00 0.00 C ATOM 695 CD LYS A 43 12.555 14.267 8.329 1.00 0.00 C ATOM 696 CE LYS A 43 13.312 13.896 9.595 1.00 0.00 C ATOM 697 NZ LYS A 43 13.724 15.100 10.368 1.00 0.00 N ATOM 0 H LYS A 43 11.341 13.463 5.065 1.00 0.00 H new ATOM 0 HA LYS A 43 13.952 13.693 3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.624 13.957 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.219 14.940 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.867 12.868 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.393 12.430 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.853 15.264 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.487 14.306 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.685 13.260 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.195 13.313 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.237 14.805 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.343 15.694 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.880 15.643 10.641 1.00 0.00 H new ATOM 711 N ASN A 44 13.200 10.893 5.538 1.00 0.00 N ATOM 712 CA ASN A 44 13.611 9.505 5.721 1.00 0.00 C ATOM 713 C ASN A 44 12.451 8.659 6.248 1.00 0.00 C ATOM 714 O ASN A 44 12.456 8.255 7.409 1.00 0.00 O ATOM 715 CB ASN A 44 14.794 9.422 6.686 1.00 0.00 C ATOM 716 CG ASN A 44 16.126 9.600 5.983 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.304 9.163 4.847 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.071 10.247 6.658 1.00 0.00 N ATOM 0 H ASN A 44 12.316 11.134 5.986 1.00 0.00 H new ATOM 0 HA ASN A 44 13.915 9.113 4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.687 10.187 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.779 8.457 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.987 10.398 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.880 10.593 7.598 1.00 0.00 H new ATOM 725 N PHE A 45 11.461 8.405 5.380 1.00 0.00 N ATOM 726 CA PHE A 45 10.272 7.609 5.721 1.00 0.00 C ATOM 727 C PHE A 45 10.499 6.670 6.907 1.00 0.00 C ATOM 728 O PHE A 45 10.781 5.487 6.730 1.00 0.00 O ATOM 729 CB PHE A 45 9.824 6.793 4.497 1.00 0.00 C ATOM 730 CG PHE A 45 10.887 5.875 3.932 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.154 5.793 4.499 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.611 5.093 2.822 1.00 0.00 C ATOM 733 CE1 PHE A 45 13.115 4.954 3.972 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.570 4.251 2.290 1.00 0.00 C ATOM 735 CZ PHE A 45 12.823 4.182 2.866 1.00 0.00 C ATOM 0 H PHE A 45 11.462 8.747 4.419 1.00 0.00 H new ATOM 0 HA PHE A 45 9.495 8.314 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.955 6.196 4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.503 7.481 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.390 6.395 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.633 5.142 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.094 4.902 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.339 3.648 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.573 3.525 2.452 1.00 0.00 H new ATOM 745 N LYS A 46 10.358 7.207 8.117 1.00 0.00 N ATOM 746 CA LYS A 46 10.539 6.415 9.330 1.00 0.00 C ATOM 747 C LYS A 46 9.467 5.328 9.425 1.00 0.00 C ATOM 748 O LYS A 46 8.294 5.625 9.652 1.00 0.00 O ATOM 749 CB LYS A 46 10.483 7.318 10.565 1.00 0.00 C ATOM 750 CG LYS A 46 11.171 6.729 11.789 1.00 0.00 C ATOM 751 CD LYS A 46 12.638 7.125 11.852 1.00 0.00 C ATOM 752 CE LYS A 46 13.534 6.052 11.256 1.00 0.00 C ATOM 753 NZ LYS A 46 13.452 4.771 12.014 1.00 0.00 N ATOM 0 H LYS A 46 10.120 8.185 8.283 1.00 0.00 H new ATOM 0 HA LYS A 46 11.517 5.936 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.946 8.275 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.440 7.521 10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.663 7.069 12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.088 5.642 11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.786 8.062 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.923 7.303 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.250 5.878 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.566 6.404 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.315 4.214 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.360 4.974 13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.624 4.230 11.693 1.00 0.00 H new ATOM 767 N PRO A 47 9.848 4.052 9.226 1.00 0.00 N ATOM 768 CA PRO A 47 8.911 2.913 9.259 1.00 0.00 C ATOM 769 C PRO A 47 8.122 2.773 10.562 1.00 0.00 C ATOM 770 O PRO A 47 7.298 1.868 10.698 1.00 0.00 O ATOM 771 CB PRO A 47 9.834 1.712 9.066 1.00 0.00 C ATOM 772 CG PRO A 47 10.926 2.272 8.255 1.00 0.00 C ATOM 773 CD PRO A 47 11.212 3.596 8.912 1.00 0.00 C ATOM 0 HA PRO A 47 8.133 3.027 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.195 1.322 10.017 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.330 0.891 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.802 1.624 8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.629 2.397 7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.827 3.489 9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.734 4.283 8.246 1.00 0.00 H new ATOM 781 N THR A 48 8.370 3.657 11.515 1.00 0.00 N ATOM 782 CA THR A 48 7.672 3.612 12.795 1.00 0.00 C ATOM 783 C THR A 48 6.171 3.794 12.591 1.00 0.00 C ATOM 784 O THR A 48 5.368 2.958 13.008 1.00 0.00 O ATOM 785 CB THR A 48 8.212 4.705 13.723 1.00 0.00 C ATOM 786 OG1 THR A 48 7.473 4.747 14.931 1.00 0.00 O ATOM 787 CG2 THR A 48 8.159 6.083 13.101 1.00 0.00 C ATOM 0 H THR A 48 9.048 4.414 11.429 1.00 0.00 H new ATOM 0 HA THR A 48 7.844 2.638 13.253 1.00 0.00 H new ATOM 0 HB THR A 48 9.254 4.445 13.911 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.834 5.450 15.511 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.554 6.815 13.805 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.758 6.095 12.191 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.126 6.333 12.859 1.00 0.00 H new ATOM 795 N LYS A 49 5.805 4.891 11.941 1.00 0.00 N ATOM 796 CA LYS A 49 4.410 5.200 11.665 1.00 0.00 C ATOM 797 C LYS A 49 4.225 5.582 10.197 1.00 0.00 C ATOM 798 O LYS A 49 3.121 5.495 9.660 1.00 0.00 O ATOM 799 CB LYS A 49 3.934 6.342 12.565 1.00 0.00 C ATOM 800 CG LYS A 49 4.363 6.190 14.018 1.00 0.00 C ATOM 801 CD LYS A 49 3.235 6.536 14.985 1.00 0.00 C ATOM 802 CE LYS A 49 2.920 8.028 15.005 1.00 0.00 C ATOM 803 NZ LYS A 49 1.551 8.295 15.525 1.00 0.00 N ATOM 0 H LYS A 49 6.463 5.588 11.592 1.00 0.00 H new ATOM 0 HA LYS A 49 3.813 4.312 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.320 7.285 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.847 6.400 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.690 5.165 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.219 6.836 14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.339 5.982 14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.509 6.212 15.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.652 8.546 15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.012 8.433 13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.373 9.320 15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.851 7.821 14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.471 7.931 16.496 1.00 0.00 H new ATOM 817 N TYR A 50 5.312 6.013 9.552 1.00 0.00 N ATOM 818 CA TYR A 50 5.263 6.414 8.156 1.00 0.00 C ATOM 819 C TYR A 50 5.222 5.205 7.228 1.00 0.00 C ATOM 820 O TYR A 50 4.763 5.314 6.093 1.00 0.00 O ATOM 821 CB TYR A 50 6.460 7.302 7.810 1.00 0.00 C ATOM 822 CG TYR A 50 6.480 8.610 8.568 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.369 9.446 8.577 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.607 9.012 9.272 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.382 10.643 9.267 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.629 10.207 9.964 1.00 0.00 C ATOM 827 CZ TYR A 50 6.515 11.019 9.958 1.00 0.00 C ATOM 828 OH TYR A 50 6.532 12.211 10.647 1.00 0.00 O ATOM 0 H TYR A 50 6.234 6.091 9.980 1.00 0.00 H new ATOM 0 HA TYR A 50 4.345 6.983 8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.380 6.756 8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.450 7.511 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.481 9.155 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.482 8.379 9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.510 11.280 9.265 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.514 10.504 10.507 1.00 0.00 H new ATOM 0 HH TYR A 50 7.403 12.326 11.080 1.00 0.00 H new ATOM 838 N SER A 51 5.712 4.057 7.705 1.00 0.00 N ATOM 839 CA SER A 51 5.723 2.839 6.889 1.00 0.00 C ATOM 840 C SER A 51 4.308 2.428 6.465 1.00 0.00 C ATOM 841 O SER A 51 3.797 1.394 6.895 1.00 0.00 O ATOM 842 CB SER A 51 6.393 1.688 7.651 1.00 0.00 C ATOM 843 OG SER A 51 7.640 1.351 7.068 1.00 0.00 O ATOM 0 H SER A 51 6.102 3.945 8.641 1.00 0.00 H new ATOM 0 HA SER A 51 6.296 3.057 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.540 1.974 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.739 0.816 7.649 1.00 0.00 H new ATOM 0 HG SER A 51 7.814 0.395 7.198 1.00 0.00 H new ATOM 849 N SER A 52 3.684 3.237 5.614 1.00 0.00 N ATOM 850 CA SER A 52 2.339 2.952 5.123 1.00 0.00 C ATOM 851 C SER A 52 1.921 3.981 4.089 1.00 0.00 C ATOM 852 O SER A 52 2.432 5.097 4.065 1.00 0.00 O ATOM 853 CB SER A 52 1.332 2.925 6.274 1.00 0.00 C ATOM 854 OG SER A 52 1.267 4.183 6.924 1.00 0.00 O ATOM 0 H SER A 52 4.090 4.099 5.249 1.00 0.00 H new ATOM 0 HA SER A 52 2.353 1.968 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.346 2.658 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.616 2.155 6.992 1.00 0.00 H new ATOM 0 HG SER A 52 0.615 4.140 7.655 1.00 0.00 H new ATOM 860 N ILE A 53 1.007 3.587 3.222 1.00 0.00 N ATOM 861 CA ILE A 53 0.533 4.452 2.165 1.00 0.00 C ATOM 862 C ILE A 53 -0.983 4.359 2.076 1.00 0.00 C ATOM 863 O ILE A 53 -1.569 3.357 2.491 1.00 0.00 O ATOM 864 CB ILE A 53 1.147 4.005 0.824 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.666 3.778 0.960 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.827 4.975 -0.318 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.509 5.032 0.974 1.00 0.00 C ATOM 0 H ILE A 53 0.576 2.663 3.233 1.00 0.00 H new ATOM 0 HA ILE A 53 0.825 5.480 2.379 1.00 0.00 H new ATOM 0 HB ILE A 53 0.684 3.054 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.853 3.224 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.997 3.147 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.283 4.614 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.253 5.040 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.224 5.962 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.560 4.762 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.361 5.580 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.214 5.659 1.815 1.00 0.00 H new ATOM 879 N CYS A 54 -1.626 5.389 1.543 1.00 0.00 N ATOM 880 CA CYS A 54 -3.071 5.372 1.424 1.00 0.00 C ATOM 881 C CYS A 54 -3.480 5.231 -0.054 1.00 0.00 C ATOM 882 O CYS A 54 -2.683 5.515 -0.949 1.00 0.00 O ATOM 883 CB CYS A 54 -3.660 6.614 2.098 1.00 0.00 C ATOM 884 SG CYS A 54 -3.893 8.038 1.024 1.00 0.00 S ATOM 0 H CYS A 54 -1.175 6.234 1.192 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.481 4.505 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.623 6.348 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.007 6.904 2.921 1.00 0.00 H new ATOM 889 N SER A 55 -4.695 4.739 -0.306 1.00 0.00 N ATOM 890 CA SER A 55 -5.173 4.500 -1.673 1.00 0.00 C ATOM 891 C SER A 55 -5.150 5.745 -2.565 1.00 0.00 C ATOM 892 O SER A 55 -4.878 5.645 -3.762 1.00 0.00 O ATOM 893 CB SER A 55 -6.591 3.934 -1.632 1.00 0.00 C ATOM 894 OG SER A 55 -7.369 4.578 -0.641 1.00 0.00 O ATOM 0 H SER A 55 -5.369 4.497 0.420 1.00 0.00 H new ATOM 0 HA SER A 55 -4.479 3.786 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.063 4.058 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.553 2.864 -1.430 1.00 0.00 H new ATOM 0 HG SER A 55 -7.879 5.309 -1.049 1.00 0.00 H new ATOM 900 N GLU A 56 -5.467 6.902 -1.998 1.00 0.00 N ATOM 901 CA GLU A 56 -5.519 8.147 -2.732 1.00 0.00 C ATOM 902 C GLU A 56 -4.399 8.301 -3.771 1.00 0.00 C ATOM 903 O GLU A 56 -4.559 9.026 -4.753 1.00 0.00 O ATOM 904 CB GLU A 56 -5.481 9.292 -1.736 1.00 0.00 C ATOM 905 CG GLU A 56 -6.607 9.236 -0.728 1.00 0.00 C ATOM 906 CD GLU A 56 -7.016 10.610 -0.232 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.197 11.547 -0.337 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.155 10.747 0.262 1.00 0.00 O ATOM 0 H GLU A 56 -5.696 6.997 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.447 8.154 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.527 9.276 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.531 10.238 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.469 8.745 -1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.300 8.624 0.120 1.00 0.00 H new ATOM 915 N HIS A 57 -3.263 7.648 -3.546 1.00 0.00 N ATOM 916 CA HIS A 57 -2.128 7.757 -4.467 1.00 0.00 C ATOM 917 C HIS A 57 -2.028 6.553 -5.397 1.00 0.00 C ATOM 918 O HIS A 57 -1.439 6.641 -6.475 1.00 0.00 O ATOM 919 CB HIS A 57 -0.828 7.909 -3.665 1.00 0.00 C ATOM 920 CG HIS A 57 -0.992 8.787 -2.481 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.452 10.085 -2.555 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.822 8.514 -1.176 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.565 10.570 -1.327 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.190 9.631 -0.468 1.00 0.00 N ATOM 0 H HIS A 57 -3.101 7.042 -2.742 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.287 8.638 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.488 6.926 -3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.051 8.317 -4.312 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.670 10.589 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.461 7.585 -0.760 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.905 11.562 -1.069 1.00 0.00 H new ATOM 932 N PHE A 58 -2.591 5.429 -4.979 1.00 0.00 N ATOM 933 CA PHE A 58 -2.545 4.215 -5.783 1.00 0.00 C ATOM 934 C PHE A 58 -3.597 4.243 -6.891 1.00 0.00 C ATOM 935 O PHE A 58 -4.553 5.016 -6.827 1.00 0.00 O ATOM 936 CB PHE A 58 -2.767 2.992 -4.896 1.00 0.00 C ATOM 937 CG PHE A 58 -1.526 2.569 -4.177 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.523 1.894 -4.849 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.354 2.864 -2.837 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.630 1.516 -4.195 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.202 2.493 -2.179 1.00 0.00 C ATOM 942 CZ PHE A 58 0.790 1.818 -2.859 1.00 0.00 C ATOM 0 H PHE A 58 -3.084 5.331 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.560 4.157 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.547 3.213 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.128 2.165 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.644 1.661 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.130 3.390 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.405 0.985 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.076 2.730 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.693 1.526 -2.344 1.00 0.00 H new ATOM 952 N THR A 59 -3.429 3.384 -7.896 1.00 0.00 N ATOM 953 CA THR A 59 -4.384 3.309 -8.999 1.00 0.00 C ATOM 954 C THR A 59 -5.549 2.390 -8.637 1.00 0.00 C ATOM 955 O THR A 59 -5.365 1.364 -7.981 1.00 0.00 O ATOM 956 CB THR A 59 -3.719 2.797 -10.285 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.914 1.662 -10.015 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.847 3.820 -10.997 1.00 0.00 C ATOM 0 H THR A 59 -2.646 2.735 -7.969 1.00 0.00 H new ATOM 0 HA THR A 59 -4.754 4.319 -9.176 1.00 0.00 H new ATOM 0 HB THR A 59 -4.553 2.555 -10.944 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.500 1.349 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.419 3.372 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.452 4.683 -11.276 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.045 4.140 -10.332 1.00 0.00 H new ATOM 966 N PRO A 60 -6.761 2.752 -9.073 1.00 0.00 N ATOM 967 CA PRO A 60 -7.979 1.970 -8.814 1.00 0.00 C ATOM 968 C PRO A 60 -7.823 0.508 -9.216 1.00 0.00 C ATOM 969 O PRO A 60 -8.315 -0.393 -8.536 1.00 0.00 O ATOM 970 CB PRO A 60 -9.018 2.648 -9.712 1.00 0.00 C ATOM 971 CG PRO A 60 -8.536 4.037 -9.843 1.00 0.00 C ATOM 972 CD PRO A 60 -7.043 3.958 -9.866 1.00 0.00 C ATOM 0 HA PRO A 60 -8.239 1.954 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.086 2.157 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.012 2.612 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.916 4.497 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.881 4.649 -9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.659 3.871 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.586 4.845 -9.428 1.00 0.00 H new ATOM 980 N ASP A 61 -7.147 0.287 -10.338 1.00 0.00 N ATOM 981 CA ASP A 61 -6.932 -1.060 -10.856 1.00 0.00 C ATOM 982 C ASP A 61 -5.930 -1.847 -10.014 1.00 0.00 C ATOM 983 O ASP A 61 -5.847 -3.069 -10.124 1.00 0.00 O ATOM 984 CB ASP A 61 -6.451 -0.994 -12.306 1.00 0.00 C ATOM 985 CG ASP A 61 -6.465 -2.352 -12.980 1.00 0.00 C ATOM 986 OD1 ASP A 61 -5.492 -3.115 -12.800 1.00 0.00 O ATOM 987 OD2 ASP A 61 -7.449 -2.653 -13.689 1.00 0.00 O ATOM 0 H ASP A 61 -6.737 1.026 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.887 -1.583 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.085 -0.307 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.440 -0.588 -12.333 1.00 0.00 H new ATOM 992 N CYS A 62 -5.163 -1.148 -9.184 1.00 0.00 N ATOM 993 CA CYS A 62 -4.166 -1.793 -8.340 1.00 0.00 C ATOM 994 C CYS A 62 -4.812 -2.659 -7.253 1.00 0.00 C ATOM 995 O CYS A 62 -4.116 -3.380 -6.537 1.00 0.00 O ATOM 996 CB CYS A 62 -3.235 -0.732 -7.725 1.00 0.00 C ATOM 997 SG CYS A 62 -3.452 -0.450 -5.947 1.00 0.00 S ATOM 0 H CYS A 62 -5.213 -0.135 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.574 -2.462 -8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.202 -1.030 -7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.391 0.212 -8.248 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.721 -0.410 -5.666 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.137 -2.589 -7.126 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.844 -3.372 -6.119 1.00 0.00 C ATOM 1005 C PHE A 63 -7.373 -4.675 -6.711 1.00 0.00 C ATOM 1006 O PHE A 63 -8.507 -5.077 -6.449 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.991 -2.554 -5.520 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.549 -1.267 -4.871 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.220 -1.060 -4.519 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -8.467 -0.262 -4.614 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.822 0.122 -3.925 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -8.073 0.922 -4.021 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.750 1.114 -3.676 1.00 0.00 C ATOM 0 H PHE A 63 -6.737 -2.001 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.139 -3.623 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.710 -2.325 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.511 -3.163 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.490 -1.832 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.504 -0.406 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.787 0.270 -3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.800 1.697 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.441 2.039 -3.212 1.00 0.00 H new ATOM 1023 N LYS A 64 -6.533 -5.334 -7.503 1.00 0.00 N ATOM 1024 CA LYS A 64 -6.895 -6.604 -8.133 1.00 0.00 C ATOM 1025 C LYS A 64 -6.423 -7.784 -7.281 1.00 0.00 C ATOM 1026 O LYS A 64 -6.854 -8.921 -7.477 1.00 0.00 O ATOM 1027 CB LYS A 64 -6.288 -6.691 -9.538 1.00 0.00 C ATOM 1028 CG LYS A 64 -4.787 -6.953 -9.550 1.00 0.00 C ATOM 1029 CD LYS A 64 -4.010 -5.761 -10.088 1.00 0.00 C ATOM 1030 CE LYS A 64 -3.669 -5.932 -11.560 1.00 0.00 C ATOM 1031 NZ LYS A 64 -3.096 -7.276 -11.850 1.00 0.00 N ATOM 0 H LYS A 64 -5.592 -5.010 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.981 -6.650 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.789 -7.486 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.488 -5.759 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.450 -7.180 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.576 -7.830 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.597 -4.853 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.092 -5.635 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.567 -5.784 -12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.957 -5.163 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.519 -7.228 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.501 -7.579 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.867 -7.960 -11.986 1.00 0.00 H new ATOM 1045 N ARG A 65 -5.528 -7.491 -6.338 1.00 0.00 N ATOM 1046 CA ARG A 65 -4.967 -8.500 -5.433 1.00 0.00 C ATOM 1047 C ARG A 65 -6.034 -9.467 -4.918 1.00 0.00 C ATOM 1048 O ARG A 65 -7.230 -9.271 -5.135 1.00 0.00 O ATOM 1049 CB ARG A 65 -4.281 -7.828 -4.236 1.00 0.00 C ATOM 1050 CG ARG A 65 -5.249 -7.130 -3.288 1.00 0.00 C ATOM 1051 CD ARG A 65 -6.150 -6.132 -4.007 1.00 0.00 C ATOM 1052 NE ARG A 65 -7.401 -6.744 -4.451 1.00 0.00 N ATOM 1053 CZ ARG A 65 -8.315 -7.246 -3.623 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -8.126 -7.209 -2.310 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -9.426 -7.783 -4.110 1.00 0.00 N ATOM 0 H ARG A 65 -5.170 -6.549 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.237 -9.069 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.721 -8.580 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.558 -7.100 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.865 -7.877 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.684 -6.612 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.371 -5.298 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.622 -5.721 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.584 -6.789 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.276 -6.794 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.831 -7.596 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.580 -7.811 -5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.127 -8.168 -3.476 1.00 0.00 H new ATOM 1069 N GLU A 66 -5.582 -10.506 -4.222 1.00 0.00 N ATOM 1070 CA GLU A 66 -6.482 -11.507 -3.660 1.00 0.00 C ATOM 1071 C GLU A 66 -6.418 -11.510 -2.132 1.00 0.00 C ATOM 1072 O GLU A 66 -6.822 -12.479 -1.489 1.00 0.00 O ATOM 1073 CB GLU A 66 -6.132 -12.897 -4.198 1.00 0.00 C ATOM 1074 CG GLU A 66 -4.637 -13.168 -4.267 1.00 0.00 C ATOM 1075 CD GLU A 66 -3.953 -13.012 -2.923 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -4.473 -13.552 -1.924 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -2.895 -12.348 -2.869 1.00 0.00 O ATOM 0 H GLU A 66 -4.594 -10.677 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.498 -11.251 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.600 -13.650 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.559 -13.009 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.472 -14.179 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.181 -12.486 -4.984 1.00 0.00 H new ATOM 1084 N CYS A 67 -5.910 -10.423 -1.555 1.00 0.00 N ATOM 1085 CA CYS A 67 -5.799 -10.310 -0.103 1.00 0.00 C ATOM 1086 C CYS A 67 -6.907 -9.417 0.458 1.00 0.00 C ATOM 1087 O CYS A 67 -7.640 -8.778 -0.297 1.00 0.00 O ATOM 1088 CB CYS A 67 -4.425 -9.753 0.283 1.00 0.00 C ATOM 1089 SG CYS A 67 -3.329 -10.966 1.056 1.00 0.00 S ATOM 0 H CYS A 67 -5.570 -9.610 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.909 -11.306 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.941 -9.358 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.563 -8.916 0.967 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.193 -10.403 1.344 1.00 0.00 H new ATOM 1095 N ASN A 68 -7.035 -9.384 1.786 1.00 0.00 N ATOM 1096 CA ASN A 68 -8.058 -8.582 2.435 1.00 0.00 C ATOM 1097 C ASN A 68 -7.548 -7.182 2.771 1.00 0.00 C ATOM 1098 O ASN A 68 -7.993 -6.193 2.188 1.00 0.00 O ATOM 1099 CB ASN A 68 -8.513 -9.293 3.704 1.00 0.00 C ATOM 1100 CG ASN A 68 -9.788 -8.708 4.280 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -9.750 -7.866 5.177 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -10.929 -9.156 3.766 1.00 0.00 N ATOM 0 H ASN A 68 -6.439 -9.906 2.428 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.896 -8.466 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.669 -10.350 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.722 -9.235 4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.819 -8.801 4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.914 -9.855 3.023 1.00 0.00 H new ATOM 1109 N ASN A 69 -6.619 -7.103 3.720 1.00 0.00 N ATOM 1110 CA ASN A 69 -6.060 -5.820 4.139 1.00 0.00 C ATOM 1111 C ASN A 69 -4.875 -5.418 3.267 1.00 0.00 C ATOM 1112 O ASN A 69 -4.811 -4.292 2.775 1.00 0.00 O ATOM 1113 CB ASN A 69 -5.628 -5.884 5.606 1.00 0.00 C ATOM 1114 CG ASN A 69 -5.878 -4.581 6.338 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -4.947 -3.831 6.631 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -7.142 -4.305 6.640 1.00 0.00 N ATOM 0 H ASN A 69 -6.238 -7.910 4.213 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.838 -5.065 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.168 -6.688 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.568 -6.130 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.372 -3.443 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.883 -4.955 6.378 1.00 0.00 H new ATOM 1123 N LYS A 70 -3.938 -6.342 3.081 1.00 0.00 N ATOM 1124 CA LYS A 70 -2.756 -6.075 2.266 1.00 0.00 C ATOM 1125 C LYS A 70 -3.118 -6.061 0.785 1.00 0.00 C ATOM 1126 O LYS A 70 -3.618 -7.050 0.250 1.00 0.00 O ATOM 1127 CB LYS A 70 -1.672 -7.122 2.534 1.00 0.00 C ATOM 1128 CG LYS A 70 -0.308 -6.745 1.977 1.00 0.00 C ATOM 1129 CD LYS A 70 0.793 -6.945 3.009 1.00 0.00 C ATOM 1130 CE LYS A 70 0.838 -5.799 4.009 1.00 0.00 C ATOM 1131 NZ LYS A 70 0.744 -6.284 5.414 1.00 0.00 N ATOM 0 H LYS A 70 -3.973 -7.279 3.482 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.368 -5.093 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.586 -7.276 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.982 -8.073 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.095 -7.349 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.321 -5.704 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.630 -7.884 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.756 -7.026 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.765 -5.240 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.019 -5.109 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.778 -5.473 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.152 -6.796 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.540 -6.923 5.615 1.00 0.00 H new ATOM 1145 N LEU A 71 -2.873 -4.931 0.126 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.188 -4.795 -1.294 1.00 0.00 C ATOM 1147 C LEU A 71 -2.156 -3.938 -2.021 1.00 0.00 C ATOM 1148 O LEU A 71 -2.185 -2.710 -1.940 1.00 0.00 O ATOM 1149 CB LEU A 71 -4.579 -4.179 -1.482 1.00 0.00 C ATOM 1150 CG LEU A 71 -5.507 -4.254 -0.268 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -6.699 -3.326 -0.451 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -5.971 -5.686 -0.032 1.00 0.00 C ATOM 0 H LEU A 71 -2.460 -4.100 0.550 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.170 -5.797 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.458 -3.132 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.066 -4.677 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.950 -3.929 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.349 -3.392 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.348 -2.301 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.256 -3.620 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.630 -5.717 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.510 -6.043 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.106 -6.324 0.147 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.258 -4.594 -2.746 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.233 -3.900 -3.506 1.00 0.00 C ATOM 1166 C LEU A 72 0.519 -4.879 -4.409 1.00 0.00 C ATOM 1167 O LEU A 72 1.745 -4.959 -4.379 1.00 0.00 O ATOM 1168 CB LEU A 72 0.733 -3.178 -2.567 1.00 0.00 C ATOM 1169 CG LEU A 72 1.743 -4.082 -1.856 1.00 0.00 C ATOM 1170 CD1 LEU A 72 3.165 -3.728 -2.269 1.00 0.00 C ATOM 1171 CD2 LEU A 72 1.573 -3.978 -0.348 1.00 0.00 C ATOM 0 H LEU A 72 -1.222 -5.611 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.716 -3.155 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.279 -2.428 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.153 -2.644 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 72 1.555 -5.114 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.867 -4.382 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.274 -3.857 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.373 -2.691 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.297 -4.626 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.735 -2.947 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.564 -4.286 -0.073 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.234 -5.627 -5.210 1.00 0.00 N ATOM 1184 CA LYS A 73 0.346 -6.611 -6.123 1.00 0.00 C ATOM 1185 C LYS A 73 1.524 -6.028 -6.903 1.00 0.00 C ATOM 1186 O LYS A 73 1.805 -4.833 -6.826 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.722 -7.121 -7.095 1.00 0.00 C ATOM 1188 CG LYS A 73 -1.113 -8.571 -6.856 1.00 0.00 C ATOM 1189 CD LYS A 73 -0.385 -9.510 -7.806 1.00 0.00 C ATOM 1190 CE LYS A 73 0.223 -10.693 -7.067 1.00 0.00 C ATOM 1191 NZ LYS A 73 1.664 -10.476 -6.761 1.00 0.00 N ATOM 0 H LYS A 73 -1.252 -5.571 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 73 0.718 -7.442 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.610 -6.494 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.354 -7.015 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.885 -8.845 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.189 -8.684 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.079 -9.872 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.401 -8.963 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.324 -10.861 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.112 -11.594 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.041 -11.304 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.191 -10.341 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.769 -9.631 -6.164 1.00 0.00 H new ATOM 1205 N GLU A 74 2.211 -6.888 -7.653 1.00 0.00 N ATOM 1206 CA GLU A 74 3.364 -6.472 -8.449 1.00 0.00 C ATOM 1207 C GLU A 74 3.064 -5.204 -9.244 1.00 0.00 C ATOM 1208 O GLU A 74 3.960 -4.416 -9.540 1.00 0.00 O ATOM 1209 CB GLU A 74 3.787 -7.597 -9.396 1.00 0.00 C ATOM 1210 CG GLU A 74 5.253 -7.979 -9.271 1.00 0.00 C ATOM 1211 CD GLU A 74 6.180 -6.788 -9.410 1.00 0.00 C ATOM 1212 OE1 GLU A 74 6.445 -6.372 -10.558 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.641 -6.269 -8.372 1.00 0.00 O ATOM 0 H GLU A 74 1.988 -7.881 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 74 4.182 -6.254 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.173 -8.476 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.586 -7.291 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.420 -8.453 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.499 -8.717 -10.035 1.00 0.00 H new ATOM 1220 N ASN A 75 1.799 -5.016 -9.582 1.00 0.00 N ATOM 1221 CA ASN A 75 1.373 -3.843 -10.337 1.00 0.00 C ATOM 1222 C ASN A 75 1.422 -2.598 -9.465 1.00 0.00 C ATOM 1223 O ASN A 75 1.845 -1.529 -9.903 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.045 -4.048 -10.862 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.116 -5.135 -11.916 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.240 -4.917 -13.075 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.580 -6.312 -11.520 1.00 0.00 N ATOM 0 H ASN A 75 1.045 -5.661 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 75 2.054 -3.708 -11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.704 -4.306 -10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.413 -3.112 -11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.653 -7.081 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.864 -6.448 -10.550 1.00 0.00 H new ATOM 1234 N ALA A 76 0.965 -2.762 -8.232 1.00 0.00 N ATOM 1235 CA ALA A 76 0.912 -1.690 -7.246 1.00 0.00 C ATOM 1236 C ALA A 76 1.998 -0.649 -7.436 1.00 0.00 C ATOM 1237 O ALA A 76 3.154 -0.973 -7.699 1.00 0.00 O ATOM 1238 CB ALA A 76 0.970 -2.266 -5.846 1.00 0.00 C ATOM 0 H ALA A 76 0.616 -3.655 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.037 -1.175 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.930 -1.456 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.123 -2.935 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.899 -2.822 -5.720 1.00 0.00 H new ATOM 1244 N VAL A 77 1.588 0.608 -7.308 1.00 0.00 N ATOM 1245 CA VAL A 77 2.477 1.740 -7.469 1.00 0.00 C ATOM 1246 C VAL A 77 1.745 3.032 -7.078 1.00 0.00 C ATOM 1247 O VAL A 77 0.571 3.207 -7.409 1.00 0.00 O ATOM 1248 CB VAL A 77 2.950 1.828 -8.940 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.296 3.258 -9.345 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.133 0.908 -9.182 1.00 0.00 C ATOM 0 H VAL A 77 0.626 0.866 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 77 3.345 1.611 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 77 2.118 1.502 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.623 3.273 -10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.416 3.891 -9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.097 3.633 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.448 0.987 -10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.958 1.197 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.844 -0.121 -8.967 1.00 0.00 H new ATOM 1260 N PRO A 78 2.421 3.956 -6.374 1.00 0.00 N ATOM 1261 CA PRO A 78 1.831 5.225 -5.947 1.00 0.00 C ATOM 1262 C PRO A 78 1.942 6.320 -7.009 1.00 0.00 C ATOM 1263 O PRO A 78 2.129 7.488 -6.676 1.00 0.00 O ATOM 1264 CB PRO A 78 2.664 5.583 -4.734 1.00 0.00 C ATOM 1265 CG PRO A 78 4.022 5.050 -5.046 1.00 0.00 C ATOM 1266 CD PRO A 78 3.821 3.840 -5.927 1.00 0.00 C ATOM 0 HA PRO A 78 0.762 5.136 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.688 6.661 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.259 5.133 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.626 5.802 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.551 4.780 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.511 3.841 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.990 2.914 -5.378 1.00 0.00 H new ATOM 1274 N THR A 79 1.847 5.914 -8.279 1.00 0.00 N ATOM 1275 CA THR A 79 1.945 6.812 -9.444 1.00 0.00 C ATOM 1276 C THR A 79 2.065 8.299 -9.088 1.00 0.00 C ATOM 1277 O THR A 79 3.004 8.965 -9.522 1.00 0.00 O ATOM 1278 CB THR A 79 0.731 6.608 -10.351 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.511 5.230 -10.593 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.864 7.294 -11.694 1.00 0.00 C ATOM 0 H THR A 79 1.698 4.938 -8.535 1.00 0.00 H new ATOM 0 HA THR A 79 2.871 6.543 -9.952 1.00 0.00 H new ATOM 0 HB THR A 79 -0.107 7.054 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.271 5.121 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.031 7.109 -12.287 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.985 8.367 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.735 6.901 -12.219 1.00 0.00 H new ATOM 1288 N ILE A 80 1.106 8.822 -8.325 1.00 0.00 N ATOM 1289 CA ILE A 80 1.101 10.228 -7.950 1.00 0.00 C ATOM 1290 C ILE A 80 2.499 10.755 -7.601 1.00 0.00 C ATOM 1291 O ILE A 80 2.829 11.899 -7.912 1.00 0.00 O ATOM 1292 CB ILE A 80 0.125 10.492 -6.797 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.269 10.589 -7.390 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.470 11.776 -6.046 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.344 10.759 -6.362 1.00 0.00 C ATOM 0 H ILE A 80 0.321 8.287 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 80 0.762 10.777 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 80 0.187 9.678 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.303 11.430 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.472 9.689 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.245 11.928 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.475 11.697 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.426 12.622 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.314 10.821 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.337 9.906 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.166 11.674 -5.797 1.00 0.00 H new ATOM 1307 N PHE A 81 3.319 9.919 -6.963 1.00 0.00 N ATOM 1308 CA PHE A 81 4.667 10.313 -6.592 1.00 0.00 C ATOM 1309 C PHE A 81 5.704 9.616 -7.475 1.00 0.00 C ATOM 1310 O PHE A 81 6.880 9.978 -7.468 1.00 0.00 O ATOM 1311 CB PHE A 81 4.961 10.020 -5.111 1.00 0.00 C ATOM 1312 CG PHE A 81 3.910 10.510 -4.157 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.597 10.088 -4.269 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.243 11.386 -3.135 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.637 10.529 -3.383 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.285 11.831 -2.246 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.979 11.400 -2.371 1.00 0.00 C ATOM 0 H PHE A 81 3.068 8.967 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 81 4.736 11.390 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.076 8.944 -4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.915 10.476 -4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.321 9.406 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.264 11.724 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.616 10.192 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.556 12.514 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.227 11.745 -1.677 1.00 0.00 H new ATOM 1327 N LEU A 82 5.257 8.619 -8.236 1.00 0.00 N ATOM 1328 CA LEU A 82 6.135 7.871 -9.133 1.00 0.00 C ATOM 1329 C LEU A 82 6.963 8.826 -9.995 1.00 0.00 C ATOM 1330 O LEU A 82 6.698 10.028 -10.029 1.00 0.00 O ATOM 1331 CB LEU A 82 5.291 6.937 -10.014 1.00 0.00 C ATOM 1332 CG LEU A 82 6.068 6.081 -11.019 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.983 5.105 -10.294 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.105 5.329 -11.925 1.00 0.00 C ATOM 0 H LEU A 82 4.285 8.309 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 82 6.826 7.272 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.722 6.273 -9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.569 7.541 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 82 6.683 6.740 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.527 4.505 -11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.692 5.659 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.386 4.450 -9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.670 4.724 -12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.469 4.681 -11.322 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.485 6.042 -12.469 1.00 0.00 H new ATOM 1346 N GLU A 83 7.967 8.290 -10.683 1.00 0.00 N ATOM 1347 CA GLU A 83 8.835 9.099 -11.535 1.00 0.00 C ATOM 1348 C GLU A 83 8.019 9.999 -12.461 1.00 0.00 C ATOM 1349 O GLU A 83 8.466 11.082 -12.837 1.00 0.00 O ATOM 1350 CB GLU A 83 9.753 8.198 -12.365 1.00 0.00 C ATOM 1351 CG GLU A 83 10.407 7.087 -11.561 1.00 0.00 C ATOM 1352 CD GLU A 83 11.642 6.525 -12.239 1.00 0.00 C ATOM 1353 OE1 GLU A 83 11.801 6.743 -13.458 1.00 0.00 O ATOM 1354 OE2 GLU A 83 12.451 5.868 -11.549 1.00 0.00 O ATOM 0 H GLU A 83 8.200 7.297 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 83 9.441 9.733 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.176 7.756 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.531 8.809 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.679 7.468 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.686 6.284 -11.404 1.00 0.00 H new ATOM 1361 N LEU A 84 6.820 9.545 -12.821 1.00 0.00 N ATOM 1362 CA LEU A 84 5.936 10.311 -13.700 1.00 0.00 C ATOM 1363 C LEU A 84 5.891 11.781 -13.289 1.00 0.00 C ATOM 1364 O LEU A 84 6.317 12.659 -14.039 1.00 0.00 O ATOM 1365 CB LEU A 84 4.524 9.720 -13.673 1.00 0.00 C ATOM 1366 CG LEU A 84 3.651 10.065 -14.881 1.00 0.00 C ATOM 1367 CD1 LEU A 84 2.335 9.307 -14.820 1.00 0.00 C ATOM 1368 CD2 LEU A 84 3.402 11.564 -14.948 1.00 0.00 C ATOM 0 H LEU A 84 6.437 8.650 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 84 6.333 10.250 -14.713 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.603 8.635 -13.599 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.020 10.065 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 84 4.179 9.764 -15.786 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.726 9.564 -15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.532 8.235 -14.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.801 9.577 -13.909 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.779 11.791 -15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.894 11.889 -14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.354 12.087 -15.039 1.00 0.00 H new ATOM 1380 N VAL A 85 5.377 12.040 -12.089 1.00 0.00 N ATOM 1381 CA VAL A 85 5.281 13.400 -11.573 1.00 0.00 C ATOM 1382 C VAL A 85 5.381 13.416 -10.050 1.00 0.00 C ATOM 1383 O VAL A 85 4.390 13.194 -9.354 1.00 0.00 O ATOM 1384 CB VAL A 85 3.962 14.078 -11.994 1.00 0.00 C ATOM 1385 CG1 VAL A 85 4.024 14.512 -13.450 1.00 0.00 C ATOM 1386 CG2 VAL A 85 2.777 13.154 -11.752 1.00 0.00 C ATOM 0 H VAL A 85 5.021 11.324 -11.456 1.00 0.00 H new ATOM 0 HA VAL A 85 6.115 13.956 -12.000 1.00 0.00 H new ATOM 0 HB VAL A 85 3.824 14.968 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.084 14.988 -13.728 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.843 15.219 -13.584 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.190 13.640 -14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.858 13.654 -12.057 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.903 12.241 -12.333 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.721 12.905 -10.692 1.00 0.00 H new ATOM 1396 N PRO A 86 6.583 13.680 -9.507 1.00 0.00 N ATOM 1397 CA PRO A 86 6.817 13.725 -8.057 1.00 0.00 C ATOM 1398 C PRO A 86 5.942 14.761 -7.357 1.00 0.00 C ATOM 1399 O PRO A 86 5.384 14.497 -6.292 1.00 0.00 O ATOM 1400 CB PRO A 86 8.295 14.120 -7.976 1.00 0.00 C ATOM 1401 CG PRO A 86 8.861 13.591 -9.237 1.00 0.00 C ATOM 1402 CD PRO A 86 7.827 13.957 -10.246 1.00 0.00 C ATOM 0 HA PRO A 86 6.576 12.784 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.419 15.200 -7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.780 13.683 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.827 14.041 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.015 12.513 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.901 15.002 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.908 13.357 -11.152 1.00 0.00 H new ATOM 1410 N ARG A 87 5.826 15.938 -7.962 1.00 0.00 N ATOM 1411 CA ARG A 87 5.018 17.011 -7.397 1.00 0.00 C ATOM 1412 C ARG A 87 4.965 18.210 -8.338 1.00 0.00 C ATOM 1413 O ARG A 87 3.916 18.885 -8.378 1.00 0.00 O ATOM 1414 CB ARG A 87 5.576 17.438 -6.038 1.00 0.00 C ATOM 1415 CG ARG A 87 6.970 18.043 -6.114 1.00 0.00 C ATOM 1416 CD ARG A 87 7.186 19.080 -5.023 1.00 0.00 C ATOM 1417 NE ARG A 87 6.233 20.184 -5.122 1.00 0.00 N ATOM 1418 CZ ARG A 87 6.325 21.309 -4.416 1.00 0.00 C ATOM 1419 NH1 ARG A 87 7.324 21.483 -3.560 1.00 0.00 N ATOM 1420 NH2 ARG A 87 5.415 22.262 -4.566 1.00 0.00 N ATOM 1421 OXT ARG A 87 5.977 18.465 -9.028 1.00 0.00 O ATOM 0 H ARG A 87 6.282 16.173 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 87 4.004 16.634 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.898 18.164 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.601 16.572 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.716 17.254 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.115 18.505 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.090 18.605 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.202 19.470 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 87 5.451 20.087 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.026 20.753 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.390 22.347 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.645 22.133 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.485 23.124 -4.025 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.195 9.575 1.263 1.00 0.00 ZN