USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HD1:sc= -6.14! C(o=-12!,f=-20!) USER MOD Set 1.2: A 24 HIS : no HE2:sc= -6.23! C(o=-12!,f=-14!) USER MOD Set 2.1: A 6 MET CE :methyl -118:sc= -0.303 (180deg=-0.309) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 177:sc= -1.61 (180deg=-1.4!) USER MOD Set 2.3: A 35 GLN : amide:sc= -6! C(o=-7.9!,f=-9.7!) USER MOD Single : A 1 SER N :NH3+ 157:sc=0.000223 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= -1.23! USER MOD Single : A 14 CYS SG : rot -60:sc= -5.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 25 THR OG1 : rot 111:sc= -2.3! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.362) USER MOD Single : A 31 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -123:sc= -2.07 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 48 ASN : amide:sc= -3.07! C(o=-3.1!,f=-9.4!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.236 USER MOD Single : A 55 MET CE :methyl 153:sc= -20.9! (180deg=-21.2!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 112:sc= -0.115 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -6.15! C(o=-6.1!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.5) USER MOD Single : A 77 MET CE :methyl -177:sc= -6.99! (180deg=-7.36!) USER MOD Single : A 80 CYS SG : rot -52:sc= -5.84! USER MOD Single : A 83 SER OG : rot 180:sc= 0.51 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -7.3! C(o=-7.3!,f=-7.2!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.800 -15.673 -2.093 1.00 0.00 N ATOM 2 CA SER A 1 -10.036 -15.905 -0.880 1.00 0.00 C ATOM 3 C SER A 1 -8.828 -14.968 -0.834 1.00 0.00 C ATOM 4 O SER A 1 -7.808 -15.231 -1.472 1.00 0.00 O ATOM 5 CB SER A 1 -9.580 -17.363 -0.785 1.00 0.00 C ATOM 6 OG SER A 1 -10.677 -18.270 -0.839 1.00 0.00 O ATOM 0 H1 SER A 1 -11.357 -16.521 -2.320 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.440 -14.866 -1.951 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.150 -15.466 -2.878 1.00 0.00 H new ATOM 0 HA SER A 1 -10.681 -15.698 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.889 -17.581 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.032 -17.512 0.146 1.00 0.00 H new ATOM 0 HG SER A 1 -10.344 -19.190 -0.777 1.00 0.00 H new ATOM 11 N LEU A 2 -8.981 -13.892 -0.075 1.00 0.00 N ATOM 12 CA LEU A 2 -7.915 -12.915 0.061 1.00 0.00 C ATOM 13 C LEU A 2 -6.563 -13.629 0.016 1.00 0.00 C ATOM 14 O LEU A 2 -6.386 -14.668 0.650 1.00 0.00 O ATOM 15 CB LEU A 2 -8.123 -12.068 1.319 1.00 0.00 C ATOM 16 CG LEU A 2 -6.994 -11.094 1.666 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.309 -9.687 1.159 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.699 -11.111 3.168 1.00 0.00 C ATOM 0 H LEU A 2 -9.827 -13.676 0.452 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.932 -12.215 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.044 -11.498 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.270 -12.739 2.165 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.089 -11.423 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.491 -9.015 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.430 -9.709 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.231 -9.332 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.893 -10.411 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.594 -10.819 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.399 -12.115 3.469 1.00 0.00 H new ATOM 29 N GLY A 3 -5.646 -13.044 -0.738 1.00 0.00 N ATOM 30 CA GLY A 3 -4.315 -13.612 -0.874 1.00 0.00 C ATOM 31 C GLY A 3 -3.272 -12.736 -0.177 1.00 0.00 C ATOM 32 O GLY A 3 -3.586 -12.031 0.780 1.00 0.00 O ATOM 0 H GLY A 3 -5.797 -12.182 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.298 -14.614 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.064 -13.712 -1.930 1.00 0.00 H new ATOM 36 N ILE A 4 -2.050 -12.811 -0.684 1.00 0.00 N ATOM 37 CA ILE A 4 -0.958 -12.034 -0.122 1.00 0.00 C ATOM 38 C ILE A 4 0.343 -12.394 -0.845 1.00 0.00 C ATOM 39 O ILE A 4 0.623 -13.569 -1.078 1.00 0.00 O ATOM 40 CB ILE A 4 -0.891 -12.222 1.394 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.535 -10.909 2.095 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.075 -13.349 1.765 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.393 -10.058 1.225 1.00 0.00 C ATOM 0 H ILE A 4 -1.792 -13.398 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.127 -10.969 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.880 -12.517 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.445 -10.352 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.052 -11.121 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.104 -13.462 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.262 -14.281 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.073 -13.108 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.631 -9.131 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.312 -10.609 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.102 -9.828 0.282 1.00 0.00 H new ATOM 54 N ASP A 5 1.102 -11.361 -1.178 1.00 0.00 N ATOM 55 CA ASP A 5 2.366 -11.553 -1.870 1.00 0.00 C ATOM 56 C ASP A 5 3.365 -10.494 -1.400 1.00 0.00 C ATOM 57 O ASP A 5 2.997 -9.341 -1.181 1.00 0.00 O ATOM 58 CB ASP A 5 2.194 -11.404 -3.383 1.00 0.00 C ATOM 59 CG ASP A 5 2.643 -12.612 -4.206 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.099 -13.718 -4.066 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.608 -12.383 -5.032 1.00 0.00 O ATOM 0 H ASP A 5 0.867 -10.388 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 5 2.724 -12.558 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.143 -11.208 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.755 -10.530 -3.713 1.00 0.00 H new ATOM 66 N MET A 6 4.610 -10.923 -1.260 1.00 0.00 N ATOM 67 CA MET A 6 5.666 -10.025 -0.820 1.00 0.00 C ATOM 68 C MET A 6 6.924 -10.200 -1.673 1.00 0.00 C ATOM 69 O MET A 6 7.308 -11.322 -1.997 1.00 0.00 O ATOM 70 CB MET A 6 6.000 -10.310 0.646 1.00 0.00 C ATOM 71 CG MET A 6 4.889 -9.806 1.569 1.00 0.00 C ATOM 72 SD MET A 6 5.106 -10.478 3.209 1.00 0.00 S ATOM 73 CE MET A 6 6.588 -9.615 3.704 1.00 0.00 C ATOM 0 H MET A 6 4.912 -11.880 -1.443 1.00 0.00 H new ATOM 0 HA MET A 6 5.315 -8.999 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.139 -11.382 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.942 -9.829 0.908 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.904 -8.717 1.608 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.916 -10.097 1.173 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.384 -10.336 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.894 -8.932 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.392 -9.049 4.615 1.00 0.00 H new ATOM 81 N ASN A 7 7.529 -9.071 -2.014 1.00 0.00 N ATOM 82 CA ASN A 7 8.736 -9.084 -2.823 1.00 0.00 C ATOM 83 C ASN A 7 9.670 -7.966 -2.355 1.00 0.00 C ATOM 84 O ASN A 7 9.216 -6.948 -1.836 1.00 0.00 O ATOM 85 CB ASN A 7 8.412 -8.843 -4.299 1.00 0.00 C ATOM 86 CG ASN A 7 8.780 -10.062 -5.147 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.003 -10.986 -5.323 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.005 -10.013 -5.662 1.00 0.00 N ATOM 0 H ASN A 7 7.206 -8.142 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 7 9.206 -10.061 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.350 -8.625 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.956 -7.969 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.345 -10.779 -6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.605 -9.209 -5.475 1.00 0.00 H new ATOM 94 N VAL A 8 10.960 -8.194 -2.557 1.00 0.00 N ATOM 95 CA VAL A 8 11.963 -7.219 -2.163 1.00 0.00 C ATOM 96 C VAL A 8 12.795 -6.827 -3.385 1.00 0.00 C ATOM 97 O VAL A 8 13.195 -7.686 -4.170 1.00 0.00 O ATOM 98 CB VAL A 8 12.810 -7.773 -1.015 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.236 -8.071 -1.482 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.811 -6.816 0.178 1.00 0.00 C ATOM 0 H VAL A 8 11.333 -9.040 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 8 11.487 -6.312 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 8 12.361 -8.711 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.818 -8.463 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.209 -8.808 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.698 -7.154 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.420 -7.234 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.223 -5.854 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.790 -6.677 0.533 1.00 0.00 H new ATOM 110 N LYS A 9 13.032 -5.529 -3.509 1.00 0.00 N ATOM 111 CA LYS A 9 13.810 -5.013 -4.622 1.00 0.00 C ATOM 112 C LYS A 9 14.706 -3.876 -4.128 1.00 0.00 C ATOM 113 O LYS A 9 14.228 -2.775 -3.862 1.00 0.00 O ATOM 114 CB LYS A 9 12.891 -4.615 -5.778 1.00 0.00 C ATOM 115 CG LYS A 9 11.507 -5.248 -5.622 1.00 0.00 C ATOM 116 CD LYS A 9 10.805 -5.374 -6.976 1.00 0.00 C ATOM 117 CE LYS A 9 10.137 -4.055 -7.372 1.00 0.00 C ATOM 118 NZ LYS A 9 10.010 -3.960 -8.843 1.00 0.00 N ATOM 0 H LYS A 9 12.699 -4.819 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 9 14.467 -5.787 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.796 -3.530 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.334 -4.928 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.603 -6.233 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.900 -4.642 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.528 -5.663 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.057 -6.165 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.152 -3.987 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.724 -3.216 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.555 -3.059 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.954 -4.004 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.431 -4.750 -9.193 1.00 0.00 H new ATOM 127 N GLU A 10 15.991 -4.181 -4.022 1.00 0.00 N ATOM 128 CA GLU A 10 16.958 -3.198 -3.565 1.00 0.00 C ATOM 129 C GLU A 10 16.662 -2.793 -2.120 1.00 0.00 C ATOM 130 O GLU A 10 17.565 -2.398 -1.384 1.00 0.00 O ATOM 131 CB GLU A 10 16.974 -1.975 -4.485 1.00 0.00 C ATOM 132 CG GLU A 10 17.643 -0.782 -3.800 1.00 0.00 C ATOM 133 CD GLU A 10 18.487 0.019 -4.794 1.00 0.00 C ATOM 134 OE1 GLU A 10 19.058 -0.561 -5.729 1.00 0.00 O ATOM 135 OE2 GLU A 10 18.538 1.287 -4.568 1.00 0.00 O ATOM 0 H GLU A 10 16.385 -5.095 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 10 17.949 -3.650 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.506 -2.215 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.954 -1.713 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.882 -0.137 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.273 -1.134 -2.983 1.00 0.00 H new ATOM 141 N SER A 11 15.393 -2.904 -1.756 1.00 0.00 N ATOM 142 CA SER A 11 14.966 -2.555 -0.412 1.00 0.00 C ATOM 143 C SER A 11 13.457 -2.301 -0.392 1.00 0.00 C ATOM 144 O SER A 11 12.874 -2.089 0.670 1.00 0.00 O ATOM 145 CB SER A 11 15.717 -1.326 0.102 1.00 0.00 C ATOM 146 OG SER A 11 16.346 -0.604 -0.953 1.00 0.00 O ATOM 0 H SER A 11 14.646 -3.231 -2.369 1.00 0.00 H new ATOM 0 HA SER A 11 15.196 -3.391 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.022 -0.670 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.469 -1.638 0.827 1.00 0.00 H new ATOM 0 HG SER A 11 17.258 -0.939 -1.081 1.00 0.00 H new ATOM 151 N VAL A 12 12.868 -2.329 -1.579 1.00 0.00 N ATOM 152 CA VAL A 12 11.438 -2.105 -1.711 1.00 0.00 C ATOM 153 C VAL A 12 10.698 -3.429 -1.510 1.00 0.00 C ATOM 154 O VAL A 12 10.945 -4.397 -2.227 1.00 0.00 O ATOM 155 CB VAL A 12 11.134 -1.448 -3.059 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.439 -2.403 -4.215 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.685 -0.961 -3.117 1.00 0.00 C ATOM 0 H VAL A 12 13.355 -2.503 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 12 11.086 -1.417 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 12 11.783 -0.579 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.214 -1.912 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.493 -2.679 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.827 -3.300 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.495 -0.498 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.011 -1.807 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.515 -0.231 -2.326 1.00 0.00 H new ATOM 167 N LEU A 13 9.805 -3.428 -0.531 1.00 0.00 N ATOM 168 CA LEU A 13 9.027 -4.616 -0.228 1.00 0.00 C ATOM 169 C LEU A 13 7.688 -4.547 -0.965 1.00 0.00 C ATOM 170 O LEU A 13 6.774 -3.847 -0.533 1.00 0.00 O ATOM 171 CB LEU A 13 8.887 -4.793 1.286 1.00 0.00 C ATOM 172 CG LEU A 13 9.556 -3.723 2.151 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.554 -2.638 2.552 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.240 -4.349 3.367 1.00 0.00 C ATOM 0 H LEU A 13 9.603 -2.623 0.062 1.00 0.00 H new ATOM 0 HA LEU A 13 9.541 -5.508 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.825 -4.819 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.302 -5.764 1.558 1.00 0.00 H new ATOM 0 HG LEU A 13 10.333 -3.241 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.055 -1.890 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.154 -2.163 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.739 -3.087 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.707 -3.566 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.500 -4.873 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.001 -5.054 3.033 1.00 0.00 H new ATOM 185 N CYS A 14 7.615 -5.283 -2.064 1.00 0.00 N ATOM 186 CA CYS A 14 6.404 -5.313 -2.865 1.00 0.00 C ATOM 187 C CYS A 14 5.375 -6.189 -2.147 1.00 0.00 C ATOM 188 O CYS A 14 5.677 -7.315 -1.757 1.00 0.00 O ATOM 189 CB CYS A 14 6.677 -5.804 -4.288 1.00 0.00 C ATOM 190 SG CYS A 14 8.416 -5.461 -4.744 1.00 0.00 S ATOM 0 H CYS A 14 8.375 -5.863 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 14 6.010 -4.302 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.478 -6.873 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.004 -5.309 -4.988 1.00 0.00 H new ATOM 0 HG CYS A 14 8.636 -4.181 -4.686 1.00 0.00 H new ATOM 195 N ILE A 15 4.179 -5.638 -1.995 1.00 0.00 N ATOM 196 CA ILE A 15 3.104 -6.355 -1.331 1.00 0.00 C ATOM 197 C ILE A 15 1.923 -6.501 -2.294 1.00 0.00 C ATOM 198 O ILE A 15 1.115 -5.584 -2.435 1.00 0.00 O ATOM 199 CB ILE A 15 2.740 -5.672 -0.012 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.625 -6.177 1.130 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.251 -5.841 0.301 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.108 -6.044 0.773 1.00 0.00 C ATOM 0 H ILE A 15 3.931 -4.704 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 15 3.425 -7.362 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 15 2.928 -4.604 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.413 -5.611 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.390 -7.220 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.019 -5.346 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.658 -5.396 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.014 -6.902 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.716 -6.410 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.321 -6.631 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.344 -4.997 0.584 1.00 0.00 H new ATOM 213 N ARG A 16 1.860 -7.661 -2.931 1.00 0.00 N ATOM 214 CA ARG A 16 0.793 -7.940 -3.876 1.00 0.00 C ATOM 215 C ARG A 16 -0.372 -8.635 -3.170 1.00 0.00 C ATOM 216 O ARG A 16 -0.327 -9.841 -2.931 1.00 0.00 O ATOM 217 CB ARG A 16 1.288 -8.823 -5.022 1.00 0.00 C ATOM 218 CG ARG A 16 1.103 -8.126 -6.371 1.00 0.00 C ATOM 219 CD ARG A 16 2.405 -8.136 -7.176 1.00 0.00 C ATOM 220 NE ARG A 16 2.105 -8.221 -8.623 1.00 0.00 N ATOM 221 CZ ARG A 16 3.042 -8.173 -9.593 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.348 -8.041 -9.280 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.661 -8.258 -10.855 1.00 0.00 N ATOM 0 H ARG A 16 2.532 -8.419 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 16 0.457 -6.988 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.341 -9.061 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.744 -9.768 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.317 -8.625 -6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.777 -7.098 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.978 -7.233 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.022 -8.982 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 16 1.130 -8.322 -8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.634 -7.977 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.049 -8.006 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.672 -8.358 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.356 -8.223 -11.601 1.00 0.00 H new ATOM 233 N LEU A 17 -1.388 -7.846 -2.855 1.00 0.00 N ATOM 234 CA LEU A 17 -2.564 -8.372 -2.182 1.00 0.00 C ATOM 235 C LEU A 17 -3.612 -8.763 -3.225 1.00 0.00 C ATOM 236 O LEU A 17 -3.942 -7.970 -4.106 1.00 0.00 O ATOM 237 CB LEU A 17 -3.076 -7.374 -1.140 1.00 0.00 C ATOM 238 CG LEU A 17 -2.779 -7.721 0.321 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.275 -9.127 0.662 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.293 -7.543 0.636 1.00 0.00 C ATOM 0 H LEU A 17 -1.422 -6.846 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.313 -9.276 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.642 -6.398 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.155 -7.277 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.327 -7.025 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.052 -9.348 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.352 -9.182 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.776 -9.854 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.110 -7.796 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.704 -8.199 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.005 -6.507 0.458 1.00 0.00 H new ATOM 251 N THR A 18 -4.108 -9.984 -3.092 1.00 0.00 N ATOM 252 CA THR A 18 -5.112 -10.489 -4.011 1.00 0.00 C ATOM 253 C THR A 18 -6.318 -11.030 -3.240 1.00 0.00 C ATOM 254 O THR A 18 -6.208 -12.026 -2.526 1.00 0.00 O ATOM 255 CB THR A 18 -4.448 -11.534 -4.910 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.455 -12.127 -4.077 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.647 -10.903 -6.051 1.00 0.00 C ATOM 0 H THR A 18 -3.832 -10.639 -2.360 1.00 0.00 H new ATOM 0 HA THR A 18 -5.502 -9.693 -4.646 1.00 0.00 H new ATOM 0 HB THR A 18 -5.211 -12.193 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.976 -12.818 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.197 -11.689 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.310 -10.300 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.862 -10.270 -5.638 1.00 0.00 H new ATOM 265 N GLY A 19 -7.442 -10.350 -3.411 1.00 0.00 N ATOM 266 CA GLY A 19 -8.668 -10.750 -2.740 1.00 0.00 C ATOM 267 C GLY A 19 -9.577 -9.544 -2.494 1.00 0.00 C ATOM 268 O GLY A 19 -10.012 -8.887 -3.439 1.00 0.00 O ATOM 0 H GLY A 19 -7.530 -9.525 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.194 -11.489 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.428 -11.228 -1.791 1.00 0.00 H new ATOM 272 N GLU A 20 -9.837 -9.288 -1.220 1.00 0.00 N ATOM 273 CA GLU A 20 -10.686 -8.173 -0.839 1.00 0.00 C ATOM 274 C GLU A 20 -9.946 -7.251 0.133 1.00 0.00 C ATOM 275 O GLU A 20 -8.931 -7.638 0.710 1.00 0.00 O ATOM 276 CB GLU A 20 -12.001 -8.667 -0.233 1.00 0.00 C ATOM 277 CG GLU A 20 -13.144 -8.560 -1.243 1.00 0.00 C ATOM 278 CD GLU A 20 -13.399 -9.906 -1.926 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.494 -10.456 -2.570 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.589 -10.380 -1.769 1.00 0.00 O ATOM 0 H GLU A 20 -9.474 -9.834 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.929 -7.603 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.891 -9.703 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.239 -8.081 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.051 -8.227 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.902 -7.807 -1.993 1.00 0.00 H new ATOM 286 N LEU A 21 -10.483 -6.049 0.284 1.00 0.00 N ATOM 287 CA LEU A 21 -9.887 -5.069 1.176 1.00 0.00 C ATOM 288 C LEU A 21 -10.942 -4.587 2.174 1.00 0.00 C ATOM 289 O LEU A 21 -11.598 -3.571 1.946 1.00 0.00 O ATOM 290 CB LEU A 21 -9.236 -3.941 0.374 1.00 0.00 C ATOM 291 CG LEU A 21 -8.892 -2.674 1.158 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.841 -1.529 0.796 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.873 -2.948 2.663 1.00 0.00 C ATOM 0 H LEU A 21 -11.325 -5.732 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.082 -5.520 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.321 -4.324 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.905 -3.669 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.887 -2.361 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.574 -0.640 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.760 -1.313 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.865 -1.817 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.626 -2.030 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.854 -3.300 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.125 -3.709 2.885 1.00 0.00 H new ATOM 304 N ASP A 22 -11.072 -5.336 3.258 1.00 0.00 N ATOM 305 CA ASP A 22 -12.035 -4.997 4.292 1.00 0.00 C ATOM 306 C ASP A 22 -11.355 -5.069 5.660 1.00 0.00 C ATOM 307 O ASP A 22 -10.220 -5.532 5.770 1.00 0.00 O ATOM 308 CB ASP A 22 -13.209 -5.978 4.294 1.00 0.00 C ATOM 309 CG ASP A 22 -13.622 -6.496 2.915 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.825 -6.490 1.965 1.00 0.00 O ATOM 311 OD2 ASP A 22 -14.836 -6.923 2.835 1.00 0.00 O ATOM 0 H ASP A 22 -10.526 -6.177 3.443 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.406 -3.992 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.950 -6.830 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.069 -5.491 4.755 1.00 0.00 H new ATOM 316 N HIS A 23 -12.078 -4.607 6.669 1.00 0.00 N ATOM 317 CA HIS A 23 -11.559 -4.613 8.027 1.00 0.00 C ATOM 318 C HIS A 23 -11.099 -6.025 8.393 1.00 0.00 C ATOM 319 O HIS A 23 -10.352 -6.208 9.354 1.00 0.00 O ATOM 320 CB HIS A 23 -12.592 -4.053 9.006 1.00 0.00 C ATOM 321 CG HIS A 23 -13.491 -5.103 9.616 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.339 -5.558 10.914 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.554 -5.778 9.093 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.273 -6.467 11.151 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.025 -6.604 10.020 1.00 0.00 N ATOM 0 H HIS A 23 -13.019 -4.226 6.574 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.691 -3.957 8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.072 -3.526 9.805 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.208 -3.318 8.488 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.947 -5.661 8.094 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.415 -7.005 12.077 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.817 -7.236 9.906 1.00 0.00 H new ATOM 332 N HIS A 24 -11.562 -6.987 7.609 1.00 0.00 N ATOM 333 CA HIS A 24 -11.206 -8.376 7.839 1.00 0.00 C ATOM 334 C HIS A 24 -10.027 -8.759 6.944 1.00 0.00 C ATOM 335 O HIS A 24 -9.115 -9.462 7.379 1.00 0.00 O ATOM 336 CB HIS A 24 -12.420 -9.287 7.641 1.00 0.00 C ATOM 337 CG HIS A 24 -13.364 -9.316 8.819 1.00 0.00 C ATOM 338 ND1 HIS A 24 -12.986 -9.766 10.072 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.674 -8.949 8.921 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.028 -9.668 10.884 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.073 -9.162 10.168 1.00 0.00 N ATOM 0 H HIS A 24 -12.181 -6.832 6.813 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.889 -8.507 8.874 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.968 -8.959 6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.072 -10.301 7.442 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.062 -10.114 10.327 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.283 -8.552 8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.047 -9.941 11.929 1.00 0.00 H new ATOM 348 N THR A 25 -10.081 -8.280 5.710 1.00 0.00 N ATOM 349 CA THR A 25 -9.028 -8.563 4.750 1.00 0.00 C ATOM 350 C THR A 25 -7.866 -7.584 4.929 1.00 0.00 C ATOM 351 O THR A 25 -6.756 -7.841 4.464 1.00 0.00 O ATOM 352 CB THR A 25 -9.642 -8.529 3.349 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.398 -7.200 2.896 1.00 0.00 O ATOM 354 CG2 THR A 25 -11.168 -8.639 3.376 1.00 0.00 C ATOM 0 H THR A 25 -10.838 -7.697 5.353 1.00 0.00 H new ATOM 0 HA THR A 25 -8.604 -9.554 4.909 1.00 0.00 H new ATOM 0 HB THR A 25 -9.230 -9.342 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.737 -7.217 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.553 -8.610 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.457 -9.579 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.583 -7.807 3.944 1.00 0.00 H new ATOM 362 N ALA A 26 -8.161 -6.483 5.602 1.00 0.00 N ATOM 363 CA ALA A 26 -7.155 -5.463 5.848 1.00 0.00 C ATOM 364 C ALA A 26 -6.186 -5.958 6.924 1.00 0.00 C ATOM 365 O ALA A 26 -4.994 -5.659 6.875 1.00 0.00 O ATOM 366 CB ALA A 26 -7.841 -4.152 6.239 1.00 0.00 C ATOM 0 H ALA A 26 -9.083 -6.274 5.985 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.575 -5.270 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.086 -3.387 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.495 -3.828 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.431 -4.305 7.143 1.00 0.00 H new ATOM 372 N GLU A 27 -6.735 -6.705 7.870 1.00 0.00 N ATOM 373 CA GLU A 27 -5.934 -7.244 8.957 1.00 0.00 C ATOM 374 C GLU A 27 -4.631 -7.832 8.414 1.00 0.00 C ATOM 375 O GLU A 27 -3.550 -7.525 8.915 1.00 0.00 O ATOM 376 CB GLU A 27 -6.720 -8.290 9.750 1.00 0.00 C ATOM 377 CG GLU A 27 -6.690 -7.977 11.248 1.00 0.00 C ATOM 378 CD GLU A 27 -7.962 -7.244 11.679 1.00 0.00 C ATOM 379 OE1 GLU A 27 -8.157 -6.075 11.315 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.763 -7.931 12.420 1.00 0.00 O ATOM 0 H GLU A 27 -7.724 -6.950 7.907 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.686 -6.430 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.752 -8.317 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.298 -9.279 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.589 -8.903 11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.818 -7.366 11.478 1.00 0.00 H new ATOM 386 N THR A 28 -4.775 -8.669 7.397 1.00 0.00 N ATOM 387 CA THR A 28 -3.623 -9.304 6.779 1.00 0.00 C ATOM 388 C THR A 28 -2.509 -8.280 6.552 1.00 0.00 C ATOM 389 O THR A 28 -1.341 -8.558 6.821 1.00 0.00 O ATOM 390 CB THR A 28 -4.091 -9.989 5.494 1.00 0.00 C ATOM 391 OG1 THR A 28 -3.581 -11.315 5.602 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.405 -9.426 4.247 1.00 0.00 C ATOM 0 H THR A 28 -5.673 -8.922 6.985 1.00 0.00 H new ATOM 0 HA THR A 28 -3.194 -10.065 7.431 1.00 0.00 H new ATOM 0 HB THR A 28 -5.171 -9.877 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.840 -11.831 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.773 -9.947 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.625 -8.362 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.327 -9.568 4.329 1.00 0.00 H new ATOM 400 N LEU A 29 -2.909 -7.118 6.056 1.00 0.00 N ATOM 401 CA LEU A 29 -1.959 -6.052 5.789 1.00 0.00 C ATOM 402 C LEU A 29 -1.535 -5.409 7.110 1.00 0.00 C ATOM 403 O LEU A 29 -0.417 -4.910 7.232 1.00 0.00 O ATOM 404 CB LEU A 29 -2.539 -5.058 4.780 1.00 0.00 C ATOM 405 CG LEU A 29 -1.550 -4.474 3.770 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.116 -4.889 4.103 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.939 -4.852 2.340 1.00 0.00 C ATOM 0 H LEU A 29 -3.878 -6.892 5.832 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.058 -6.453 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.339 -5.554 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.994 -4.235 5.331 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.594 -3.387 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.567 -4.460 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.146 -4.527 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.037 -5.976 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.219 -4.424 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.942 -5.937 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.933 -4.464 2.119 1.00 0.00 H new ATOM 418 N LYS A 30 -2.450 -5.441 8.068 1.00 0.00 N ATOM 419 CA LYS A 30 -2.185 -4.867 9.377 1.00 0.00 C ATOM 420 C LYS A 30 -0.852 -5.405 9.903 1.00 0.00 C ATOM 421 O LYS A 30 -0.023 -4.641 10.395 1.00 0.00 O ATOM 422 CB LYS A 30 -3.363 -5.117 10.320 1.00 0.00 C ATOM 423 CG LYS A 30 -3.292 -4.198 11.541 1.00 0.00 C ATOM 424 CD LYS A 30 -4.203 -2.980 11.363 1.00 0.00 C ATOM 425 CE LYS A 30 -3.381 -1.699 11.209 1.00 0.00 C ATOM 426 NZ LYS A 30 -4.243 -0.507 11.374 1.00 0.00 N ATOM 0 H LYS A 30 -3.376 -5.856 7.964 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.088 -3.784 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.300 -4.951 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.360 -6.158 10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.586 -4.750 12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.264 -3.869 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.835 -3.119 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.867 -2.889 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.581 -1.682 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.907 -1.680 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.925 0.244 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.228 -0.758 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.182 -0.168 12.355 1.00 0.00 H new ATOM 435 N GLN A 31 -0.688 -6.714 9.782 1.00 0.00 N ATOM 436 CA GLN A 31 0.530 -7.361 10.239 1.00 0.00 C ATOM 437 C GLN A 31 1.697 -7.011 9.313 1.00 0.00 C ATOM 438 O GLN A 31 2.831 -6.869 9.766 1.00 0.00 O ATOM 439 CB GLN A 31 0.343 -8.876 10.336 1.00 0.00 C ATOM 440 CG GLN A 31 -0.227 -9.443 9.034 1.00 0.00 C ATOM 441 CD GLN A 31 -0.087 -10.965 8.990 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.000 -11.513 8.911 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.245 -11.617 9.047 1.00 0.00 N ATOM 0 H GLN A 31 -1.378 -7.344 9.374 1.00 0.00 H new ATOM 0 HA GLN A 31 0.761 -6.992 11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.299 -9.351 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.327 -9.111 11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.278 -9.168 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.292 -9.002 8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.120 -11.097 9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.258 -12.637 9.025 1.00 0.00 H new ATOM 450 N LYS A 32 1.378 -6.882 8.034 1.00 0.00 N ATOM 451 CA LYS A 32 2.386 -6.551 7.040 1.00 0.00 C ATOM 452 C LYS A 32 2.798 -5.087 7.206 1.00 0.00 C ATOM 453 O LYS A 32 3.786 -4.647 6.622 1.00 0.00 O ATOM 454 CB LYS A 32 1.885 -6.894 5.636 1.00 0.00 C ATOM 455 CG LYS A 32 2.762 -6.237 4.567 1.00 0.00 C ATOM 456 CD LYS A 32 4.198 -6.758 4.641 1.00 0.00 C ATOM 457 CE LYS A 32 5.198 -5.664 4.260 1.00 0.00 C ATOM 458 NZ LYS A 32 6.516 -6.256 3.937 1.00 0.00 N ATOM 0 H LYS A 32 0.436 -7.001 7.662 1.00 0.00 H new ATOM 0 HA LYS A 32 3.282 -7.153 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.887 -7.975 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.854 -6.560 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.349 -6.438 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.756 -5.155 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.408 -7.113 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.314 -7.611 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.824 -5.104 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.302 -4.956 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.168 -5.506 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.901 -6.727 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.406 -6.952 3.172 1.00 0.00 H new ATOM 467 N VAL A 33 2.020 -4.374 8.007 1.00 0.00 N ATOM 468 CA VAL A 33 2.292 -2.969 8.257 1.00 0.00 C ATOM 469 C VAL A 33 3.291 -2.845 9.410 1.00 0.00 C ATOM 470 O VAL A 33 4.319 -2.183 9.276 1.00 0.00 O ATOM 471 CB VAL A 33 0.984 -2.220 8.518 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.246 -0.740 8.805 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.013 -2.388 7.347 1.00 0.00 C ATOM 0 H VAL A 33 1.202 -4.743 8.491 1.00 0.00 H new ATOM 0 HA VAL A 33 2.746 -2.507 7.381 1.00 0.00 H new ATOM 0 HB VAL A 33 0.520 -2.655 9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.299 -0.231 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.883 -0.647 9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.743 -0.286 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.909 -1.846 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.467 -1.992 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.212 -3.446 7.209 1.00 0.00 H new ATOM 483 N THR A 34 2.953 -3.491 10.516 1.00 0.00 N ATOM 484 CA THR A 34 3.807 -3.461 11.691 1.00 0.00 C ATOM 485 C THR A 34 5.259 -3.746 11.301 1.00 0.00 C ATOM 486 O THR A 34 6.183 -3.160 11.863 1.00 0.00 O ATOM 487 CB THR A 34 3.245 -4.454 12.710 1.00 0.00 C ATOM 488 OG1 THR A 34 4.350 -4.738 13.564 1.00 0.00 O ATOM 489 CG2 THR A 34 2.902 -5.806 12.081 1.00 0.00 C ATOM 0 H THR A 34 2.099 -4.039 10.623 1.00 0.00 H new ATOM 0 HA THR A 34 3.814 -2.472 12.150 1.00 0.00 H new ATOM 0 HB THR A 34 2.353 -4.033 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.073 -5.374 14.256 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.507 -6.474 12.847 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.153 -5.665 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.801 -6.244 11.646 1.00 0.00 H new ATOM 497 N GLN A 35 5.415 -4.648 10.344 1.00 0.00 N ATOM 498 CA GLN A 35 6.739 -5.019 9.873 1.00 0.00 C ATOM 499 C GLN A 35 7.494 -3.781 9.385 1.00 0.00 C ATOM 500 O GLN A 35 8.704 -3.671 9.579 1.00 0.00 O ATOM 501 CB GLN A 35 6.653 -6.077 8.772 1.00 0.00 C ATOM 502 CG GLN A 35 6.222 -5.453 7.443 1.00 0.00 C ATOM 503 CD GLN A 35 7.437 -5.010 6.626 1.00 0.00 C ATOM 504 OE1 GLN A 35 8.507 -5.593 6.690 1.00 0.00 O ATOM 505 NE2 GLN A 35 7.213 -3.948 5.856 1.00 0.00 N ATOM 0 H GLN A 35 4.646 -5.133 9.881 1.00 0.00 H new ATOM 0 HA GLN A 35 7.291 -5.453 10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.622 -6.562 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.942 -6.851 9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.638 -6.174 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.575 -4.597 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.293 -3.507 5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.961 -3.575 5.272 1.00 0.00 H new ATOM 512 N SER A 36 6.749 -2.879 8.761 1.00 0.00 N ATOM 513 CA SER A 36 7.334 -1.653 8.245 1.00 0.00 C ATOM 514 C SER A 36 7.548 -0.655 9.384 1.00 0.00 C ATOM 515 O SER A 36 8.468 0.160 9.335 1.00 0.00 O ATOM 516 CB SER A 36 6.451 -1.037 7.158 1.00 0.00 C ATOM 517 OG SER A 36 7.198 -0.212 6.268 1.00 0.00 O ATOM 0 H SER A 36 5.746 -2.973 8.601 1.00 0.00 H new ATOM 0 HA SER A 36 8.298 -1.896 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.964 -1.832 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.662 -0.447 7.623 1.00 0.00 H new ATOM 0 HG SER A 36 6.815 0.690 6.259 1.00 0.00 H new ATOM 522 N LEU A 37 6.682 -0.751 10.383 1.00 0.00 N ATOM 523 CA LEU A 37 6.765 0.134 11.533 1.00 0.00 C ATOM 524 C LEU A 37 8.221 0.231 11.992 1.00 0.00 C ATOM 525 O LEU A 37 8.672 1.295 12.414 1.00 0.00 O ATOM 526 CB LEU A 37 5.803 -0.324 12.630 1.00 0.00 C ATOM 527 CG LEU A 37 4.703 0.668 13.015 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.124 0.338 14.392 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.214 2.108 12.939 1.00 0.00 C ATOM 0 H LEU A 37 5.920 -1.428 10.420 1.00 0.00 H new ATOM 0 HA LEU A 37 6.448 1.141 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.331 -1.252 12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.385 -0.555 13.522 1.00 0.00 H new ATOM 0 HG LEU A 37 3.891 0.575 12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.345 1.058 14.641 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.699 -0.666 14.377 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.915 0.386 15.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.413 2.793 13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.053 2.233 13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.540 2.325 11.922 1.00 0.00 H new ATOM 540 N GLU A 38 8.915 -0.892 11.895 1.00 0.00 N ATOM 541 CA GLU A 38 10.311 -0.947 12.296 1.00 0.00 C ATOM 542 C GLU A 38 10.986 -2.186 11.703 1.00 0.00 C ATOM 543 O GLU A 38 11.233 -3.161 12.410 1.00 0.00 O ATOM 544 CB GLU A 38 10.445 -0.926 13.820 1.00 0.00 C ATOM 545 CG GLU A 38 10.086 0.451 14.382 1.00 0.00 C ATOM 546 CD GLU A 38 10.711 0.658 15.763 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.844 0.212 16.005 1.00 0.00 O ATOM 548 OE2 GLU A 38 9.979 1.310 16.601 1.00 0.00 O ATOM 0 H GLU A 38 8.537 -1.772 11.544 1.00 0.00 H new ATOM 0 HA GLU A 38 10.815 -0.062 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.793 -1.682 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.466 -1.183 14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.434 1.228 13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.003 0.549 14.451 1.00 0.00 H new ATOM 554 N LYS A 39 11.264 -2.107 10.410 1.00 0.00 N ATOM 555 CA LYS A 39 11.905 -3.210 9.714 1.00 0.00 C ATOM 556 C LYS A 39 13.364 -3.312 10.164 1.00 0.00 C ATOM 557 O LYS A 39 13.833 -4.393 10.519 1.00 0.00 O ATOM 558 CB LYS A 39 11.738 -3.058 8.200 1.00 0.00 C ATOM 559 CG LYS A 39 12.487 -4.163 7.452 1.00 0.00 C ATOM 560 CD LYS A 39 11.554 -5.329 7.119 1.00 0.00 C ATOM 561 CE LYS A 39 11.643 -6.423 8.184 1.00 0.00 C ATOM 562 NZ LYS A 39 11.257 -7.733 7.614 1.00 0.00 N ATOM 0 H LYS A 39 11.057 -1.297 9.826 1.00 0.00 H new ATOM 0 HA LYS A 39 11.424 -4.154 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.680 -3.092 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.111 -2.083 7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.914 -3.760 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.318 -4.520 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.528 -4.969 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.816 -5.742 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.659 -6.475 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.990 -6.177 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.323 -8.465 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.280 -7.684 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.897 -7.972 6.830 1.00 0.00 H new ATOM 571 N ASP A 40 14.040 -2.174 10.136 1.00 0.00 N ATOM 572 CA ASP A 40 15.436 -2.122 10.536 1.00 0.00 C ATOM 573 C ASP A 40 16.074 -0.847 9.982 1.00 0.00 C ATOM 574 O ASP A 40 16.059 0.194 10.636 1.00 0.00 O ATOM 575 CB ASP A 40 16.212 -3.319 9.984 1.00 0.00 C ATOM 576 CG ASP A 40 16.338 -4.506 10.940 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.178 -5.669 10.540 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.614 -4.196 12.161 1.00 0.00 O ATOM 0 H ASP A 40 13.647 -1.280 9.842 1.00 0.00 H new ATOM 0 HA ASP A 40 15.476 -2.139 11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.724 -3.658 9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.213 -2.987 9.707 1.00 0.00 H new ATOM 583 N ASP A 41 16.621 -0.972 8.781 1.00 0.00 N ATOM 584 CA ASP A 41 17.264 0.158 8.131 1.00 0.00 C ATOM 585 C ASP A 41 16.193 1.092 7.565 1.00 0.00 C ATOM 586 O ASP A 41 15.432 1.698 8.318 1.00 0.00 O ATOM 587 CB ASP A 41 18.149 -0.304 6.972 1.00 0.00 C ATOM 588 CG ASP A 41 18.892 0.815 6.240 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.477 1.710 6.867 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.855 0.742 4.952 1.00 0.00 O ATOM 0 H ASP A 41 16.632 -1.838 8.242 1.00 0.00 H new ATOM 0 HA ASP A 41 17.878 0.669 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.881 -1.016 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.529 -0.839 6.253 1.00 0.00 H new ATOM 595 N ILE A 42 16.168 1.178 6.243 1.00 0.00 N ATOM 596 CA ILE A 42 15.203 2.029 5.567 1.00 0.00 C ATOM 597 C ILE A 42 14.874 1.431 4.198 1.00 0.00 C ATOM 598 O ILE A 42 15.419 1.858 3.182 1.00 0.00 O ATOM 599 CB ILE A 42 15.711 3.470 5.502 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.304 4.252 6.753 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.244 4.159 4.219 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.784 4.255 6.928 1.00 0.00 C ATOM 0 H ILE A 42 16.800 0.673 5.622 1.00 0.00 H new ATOM 0 HA ILE A 42 14.271 2.070 6.131 1.00 0.00 H new ATOM 0 HB ILE A 42 16.800 3.447 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.774 3.810 7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.667 5.277 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.619 5.182 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.625 3.615 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.154 4.171 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.522 4.817 7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.319 4.720 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.427 3.230 7.026 1.00 0.00 H new ATOM 613 N ARG A 43 13.982 0.451 4.214 1.00 0.00 N ATOM 614 CA ARG A 43 13.574 -0.210 2.987 1.00 0.00 C ATOM 615 C ARG A 43 12.529 0.632 2.253 1.00 0.00 C ATOM 616 O ARG A 43 12.350 1.810 2.557 1.00 0.00 O ATOM 617 CB ARG A 43 12.991 -1.596 3.275 1.00 0.00 C ATOM 618 CG ARG A 43 14.057 -2.683 3.114 1.00 0.00 C ATOM 619 CD ARG A 43 15.437 -2.162 3.520 1.00 0.00 C ATOM 620 NE ARG A 43 16.237 -3.258 4.111 1.00 0.00 N ATOM 621 CZ ARG A 43 17.562 -3.182 4.353 1.00 0.00 C ATOM 622 NH1 ARG A 43 18.250 -2.059 4.054 1.00 0.00 N ATOM 623 NH2 ARG A 43 18.177 -4.222 4.883 1.00 0.00 N ATOM 0 H ARG A 43 13.531 0.099 5.058 1.00 0.00 H new ATOM 0 HA ARG A 43 14.459 -0.323 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.590 -1.622 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.160 -1.793 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.796 -3.547 3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.082 -3.022 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.951 -1.753 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.331 -1.349 4.239 1.00 0.00 H new ATOM 0 HE ARG A 43 15.756 -4.125 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.768 -1.260 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 19.252 -2.010 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.651 -5.068 5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.178 -4.180 5.072 1.00 0.00 H new ATOM 633 N HIS A 44 11.866 -0.005 1.299 1.00 0.00 N ATOM 634 CA HIS A 44 10.843 0.670 0.518 1.00 0.00 C ATOM 635 C HIS A 44 9.608 -0.225 0.406 1.00 0.00 C ATOM 636 O HIS A 44 9.699 -1.439 0.580 1.00 0.00 O ATOM 637 CB HIS A 44 11.393 1.097 -0.844 1.00 0.00 C ATOM 638 CG HIS A 44 12.438 2.186 -0.771 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.307 3.296 0.044 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.630 2.321 -1.420 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.378 4.060 -0.115 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.196 3.454 -1.023 1.00 0.00 N ATOM 0 H HIS A 44 12.017 -0.982 1.049 1.00 0.00 H new ATOM 0 HA HIS A 44 10.539 1.586 1.025 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.824 0.227 -1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.567 1.441 -1.466 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.520 3.493 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.043 1.625 -2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.570 4.997 0.386 1.00 0.00 H new ATOM 649 N ILE A 45 8.481 0.409 0.114 1.00 0.00 N ATOM 650 CA ILE A 45 7.230 -0.316 -0.025 1.00 0.00 C ATOM 651 C ILE A 45 6.828 -0.354 -1.501 1.00 0.00 C ATOM 652 O ILE A 45 7.299 0.457 -2.297 1.00 0.00 O ATOM 653 CB ILE A 45 6.159 0.286 0.887 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.955 1.773 0.588 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.492 0.038 2.360 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.380 2.107 -0.843 1.00 0.00 C ATOM 0 H ILE A 45 8.409 1.416 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 45 7.351 -1.349 0.300 1.00 0.00 H new ATOM 0 HB ILE A 45 5.214 -0.216 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.907 2.036 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.533 2.372 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.715 0.476 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.546 -1.035 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.452 0.496 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.225 3.170 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.435 1.865 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.784 1.524 -1.545 1.00 0.00 H new ATOM 667 N VAL A 46 5.964 -1.305 -1.821 1.00 0.00 N ATOM 668 CA VAL A 46 5.493 -1.460 -3.187 1.00 0.00 C ATOM 669 C VAL A 46 4.157 -2.205 -3.182 1.00 0.00 C ATOM 670 O VAL A 46 4.116 -3.415 -3.398 1.00 0.00 O ATOM 671 CB VAL A 46 6.562 -2.156 -4.032 1.00 0.00 C ATOM 672 CG1 VAL A 46 5.925 -3.107 -5.048 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.461 -1.133 -4.729 1.00 0.00 C ATOM 0 H VAL A 46 5.577 -1.977 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 46 5.319 -0.486 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 46 7.185 -2.749 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.707 -3.589 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.346 -3.866 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.268 -2.544 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.212 -1.654 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.857 -0.502 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.956 -0.514 -3.981 1.00 0.00 H new ATOM 683 N LEU A 47 3.097 -1.451 -2.930 1.00 0.00 N ATOM 684 CA LEU A 47 1.762 -2.025 -2.893 1.00 0.00 C ATOM 685 C LEU A 47 1.238 -2.179 -4.322 1.00 0.00 C ATOM 686 O LEU A 47 1.642 -1.441 -5.218 1.00 0.00 O ATOM 687 CB LEU A 47 0.848 -1.197 -1.988 1.00 0.00 C ATOM 688 CG LEU A 47 1.144 -1.270 -0.489 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.704 -2.616 0.092 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.618 -0.978 -0.205 1.00 0.00 C ATOM 0 H LEU A 47 3.135 -0.448 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 47 1.788 -3.022 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.909 -0.154 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.180 -1.519 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 47 0.561 -0.497 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.926 -2.642 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.368 -2.745 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.240 -3.422 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.800 -1.037 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.240 -1.711 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.866 0.022 -0.561 1.00 0.00 H new ATOM 701 N ASN A 48 0.346 -3.144 -4.490 1.00 0.00 N ATOM 702 CA ASN A 48 -0.238 -3.404 -5.795 1.00 0.00 C ATOM 703 C ASN A 48 -1.229 -4.565 -5.684 1.00 0.00 C ATOM 704 O ASN A 48 -0.825 -5.718 -5.540 1.00 0.00 O ATOM 705 CB ASN A 48 0.836 -3.795 -6.811 1.00 0.00 C ATOM 706 CG ASN A 48 0.233 -4.598 -7.966 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.947 -4.513 -8.265 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.106 -5.379 -8.595 1.00 0.00 N ATOM 0 H ASN A 48 0.013 -3.755 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.736 -2.494 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.318 -2.898 -7.200 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.610 -4.384 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.802 -5.955 -9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.080 -5.402 -8.293 1.00 0.00 H new ATOM 714 N LEU A 49 -2.505 -4.221 -5.754 1.00 0.00 N ATOM 715 CA LEU A 49 -3.557 -5.220 -5.663 1.00 0.00 C ATOM 716 C LEU A 49 -4.023 -5.593 -7.071 1.00 0.00 C ATOM 717 O LEU A 49 -4.492 -4.739 -7.822 1.00 0.00 O ATOM 718 CB LEU A 49 -4.684 -4.730 -4.752 1.00 0.00 C ATOM 719 CG LEU A 49 -4.718 -5.330 -3.346 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.601 -4.239 -2.280 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.967 -6.193 -3.147 1.00 0.00 C ATOM 0 H LEU A 49 -2.836 -3.263 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.178 -6.131 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.606 -3.647 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.636 -4.942 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.853 -5.984 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.628 -4.694 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.660 -3.704 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.432 -3.541 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.966 -6.607 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.858 -5.581 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.967 -7.006 -3.873 1.00 0.00 H new ATOM 732 N GLU A 50 -3.877 -6.872 -7.389 1.00 0.00 N ATOM 733 CA GLU A 50 -4.277 -7.369 -8.694 1.00 0.00 C ATOM 734 C GLU A 50 -5.728 -7.853 -8.656 1.00 0.00 C ATOM 735 O GLU A 50 -6.389 -7.926 -9.691 1.00 0.00 O ATOM 736 CB GLU A 50 -3.340 -8.481 -9.168 1.00 0.00 C ATOM 737 CG GLU A 50 -2.720 -8.136 -10.524 1.00 0.00 C ATOM 738 CD GLU A 50 -3.593 -8.647 -11.672 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.020 -9.811 -11.656 1.00 0.00 O ATOM 740 OE2 GLU A 50 -3.825 -7.786 -12.605 1.00 0.00 O ATOM 0 H GLU A 50 -3.487 -7.578 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.207 -6.550 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.551 -8.635 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.892 -9.418 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.598 -7.056 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.725 -8.576 -10.595 1.00 0.00 H new ATOM 746 N ASP A 51 -6.180 -8.172 -7.452 1.00 0.00 N ATOM 747 CA ASP A 51 -7.540 -8.648 -7.265 1.00 0.00 C ATOM 748 C ASP A 51 -8.300 -7.666 -6.370 1.00 0.00 C ATOM 749 O ASP A 51 -8.701 -8.016 -5.261 1.00 0.00 O ATOM 750 CB ASP A 51 -7.556 -10.018 -6.586 1.00 0.00 C ATOM 751 CG ASP A 51 -8.949 -10.580 -6.295 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.507 -10.376 -5.206 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.473 -11.263 -7.256 1.00 0.00 O ATOM 0 H ASP A 51 -5.628 -8.110 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.008 -8.728 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.020 -10.726 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.006 -9.948 -5.648 1.00 0.00 H new ATOM 758 N LEU A 52 -8.476 -6.459 -6.886 1.00 0.00 N ATOM 759 CA LEU A 52 -9.181 -5.425 -6.147 1.00 0.00 C ATOM 760 C LEU A 52 -10.672 -5.493 -6.482 1.00 0.00 C ATOM 761 O LEU A 52 -11.068 -5.245 -7.621 1.00 0.00 O ATOM 762 CB LEU A 52 -8.552 -4.055 -6.411 1.00 0.00 C ATOM 763 CG LEU A 52 -8.545 -3.082 -5.229 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.937 -2.965 -4.607 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.488 -3.481 -4.198 1.00 0.00 C ATOM 0 H LEU A 52 -8.143 -6.173 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.087 -5.591 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.523 -4.206 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.084 -3.586 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.275 -2.094 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.904 -2.268 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.640 -2.600 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.260 -3.944 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.504 -2.774 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.703 -4.482 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.503 -3.471 -4.664 1.00 0.00 H new ATOM 776 N SER A 53 -11.459 -5.828 -5.470 1.00 0.00 N ATOM 777 CA SER A 53 -12.897 -5.931 -5.643 1.00 0.00 C ATOM 778 C SER A 53 -13.613 -5.054 -4.613 1.00 0.00 C ATOM 779 O SER A 53 -13.825 -3.864 -4.845 1.00 0.00 O ATOM 780 CB SER A 53 -13.366 -7.382 -5.520 1.00 0.00 C ATOM 781 OG SER A 53 -14.776 -7.476 -5.343 1.00 0.00 O ATOM 0 H SER A 53 -11.127 -6.032 -4.527 1.00 0.00 H new ATOM 0 HA SER A 53 -13.145 -5.581 -6.645 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.076 -7.933 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.863 -7.855 -4.677 1.00 0.00 H new ATOM 0 HG SER A 53 -15.034 -8.419 -5.271 1.00 0.00 H new ATOM 786 N PHE A 54 -13.965 -5.675 -3.498 1.00 0.00 N ATOM 787 CA PHE A 54 -14.652 -4.966 -2.431 1.00 0.00 C ATOM 788 C PHE A 54 -13.954 -3.641 -2.116 1.00 0.00 C ATOM 789 O PHE A 54 -14.443 -2.574 -2.486 1.00 0.00 O ATOM 790 CB PHE A 54 -14.601 -5.862 -1.192 1.00 0.00 C ATOM 791 CG PHE A 54 -15.062 -5.174 0.093 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.385 -5.136 0.408 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.150 -4.600 0.923 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.813 -4.498 1.602 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.578 -3.960 2.116 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.901 -3.923 2.431 1.00 0.00 C ATOM 0 H PHE A 54 -13.788 -6.662 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.676 -4.745 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.224 -6.740 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.580 -6.217 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.110 -5.591 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.099 -4.631 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.863 -4.469 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.853 -3.503 2.773 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.227 -3.437 3.339 1.00 0.00 H new ATOM 805 N MET A 55 -12.823 -3.751 -1.435 1.00 0.00 N ATOM 806 CA MET A 55 -12.053 -2.576 -1.067 1.00 0.00 C ATOM 807 C MET A 55 -12.975 -1.407 -0.711 1.00 0.00 C ATOM 808 O MET A 55 -13.293 -0.580 -1.565 1.00 0.00 O ATOM 809 CB MET A 55 -11.144 -2.174 -2.230 1.00 0.00 C ATOM 810 CG MET A 55 -10.914 -0.662 -2.250 1.00 0.00 C ATOM 811 SD MET A 55 -11.662 0.052 -3.705 1.00 0.00 S ATOM 812 CE MET A 55 -12.938 -1.156 -4.021 1.00 0.00 C ATOM 0 H MET A 55 -12.421 -4.637 -1.128 1.00 0.00 H new ATOM 0 HA MET A 55 -11.450 -2.819 -0.192 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.188 -2.690 -2.143 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.592 -2.490 -3.172 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.339 -0.210 -1.354 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.845 -0.449 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.767 -0.681 -4.545 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.534 -1.960 -4.636 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.293 -1.566 -3.076 1.00 0.00 H new ATOM 820 N ASP A 56 -13.378 -1.375 0.551 1.00 0.00 N ATOM 821 CA ASP A 56 -14.256 -0.322 1.030 1.00 0.00 C ATOM 822 C ASP A 56 -13.525 0.502 2.091 1.00 0.00 C ATOM 823 O ASP A 56 -12.295 0.511 2.138 1.00 0.00 O ATOM 824 CB ASP A 56 -15.518 -0.905 1.669 1.00 0.00 C ATOM 825 CG ASP A 56 -16.791 -0.083 1.456 1.00 0.00 C ATOM 826 OD1 ASP A 56 -17.088 0.846 2.222 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.501 -0.434 0.438 1.00 0.00 O ATOM 0 H ASP A 56 -13.112 -2.062 1.256 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.537 0.297 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.679 -1.906 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.348 -1.012 2.740 1.00 0.00 H new ATOM 832 N SER A 57 -14.312 1.176 2.917 1.00 0.00 N ATOM 833 CA SER A 57 -13.755 2.002 3.975 1.00 0.00 C ATOM 834 C SER A 57 -13.607 1.179 5.257 1.00 0.00 C ATOM 835 O SER A 57 -13.661 1.725 6.359 1.00 0.00 O ATOM 836 CB SER A 57 -14.629 3.231 4.232 1.00 0.00 C ATOM 837 OG SER A 57 -15.739 2.931 5.073 1.00 0.00 O ATOM 0 H SER A 57 -15.331 1.167 2.875 1.00 0.00 H new ATOM 0 HA SER A 57 -12.772 2.349 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.027 4.014 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.990 3.624 3.282 1.00 0.00 H new ATOM 0 HG SER A 57 -16.271 3.742 5.214 1.00 0.00 H new ATOM 842 N SER A 58 -13.421 -0.120 5.071 1.00 0.00 N ATOM 843 CA SER A 58 -13.264 -1.022 6.199 1.00 0.00 C ATOM 844 C SER A 58 -11.780 -1.307 6.439 1.00 0.00 C ATOM 845 O SER A 58 -11.384 -1.669 7.546 1.00 0.00 O ATOM 846 CB SER A 58 -14.024 -2.329 5.968 1.00 0.00 C ATOM 847 OG SER A 58 -15.288 -2.109 5.346 1.00 0.00 O ATOM 0 H SER A 58 -13.376 -0.569 4.156 1.00 0.00 H new ATOM 0 HA SER A 58 -13.682 -0.540 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.424 -2.992 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.172 -2.836 6.922 1.00 0.00 H new ATOM 0 HG SER A 58 -15.742 -2.968 5.214 1.00 0.00 H new ATOM 852 N GLY A 59 -10.998 -1.131 5.383 1.00 0.00 N ATOM 853 CA GLY A 59 -9.567 -1.366 5.465 1.00 0.00 C ATOM 854 C GLY A 59 -8.784 -0.159 4.942 1.00 0.00 C ATOM 855 O GLY A 59 -7.554 -0.155 4.968 1.00 0.00 O ATOM 0 H GLY A 59 -11.329 -0.829 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.286 -1.566 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.306 -2.252 4.886 1.00 0.00 H new ATOM 859 N LEU A 60 -9.528 0.835 4.482 1.00 0.00 N ATOM 860 CA LEU A 60 -8.919 2.045 3.954 1.00 0.00 C ATOM 861 C LEU A 60 -7.910 2.586 4.969 1.00 0.00 C ATOM 862 O LEU A 60 -6.775 2.900 4.613 1.00 0.00 O ATOM 863 CB LEU A 60 -9.995 3.057 3.557 1.00 0.00 C ATOM 864 CG LEU A 60 -9.736 3.840 2.268 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.533 5.327 2.563 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.559 3.244 1.492 1.00 0.00 C ATOM 0 H LEU A 60 -10.548 0.828 4.464 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.367 1.827 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.943 2.528 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.115 3.769 4.373 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.617 3.754 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.351 5.861 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.426 5.728 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.677 5.453 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.396 3.819 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.661 3.280 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.781 2.209 1.233 1.00 0.00 H new ATOM 877 N GLY A 61 -8.360 2.678 6.211 1.00 0.00 N ATOM 878 CA GLY A 61 -7.511 3.177 7.280 1.00 0.00 C ATOM 879 C GLY A 61 -6.210 2.375 7.365 1.00 0.00 C ATOM 880 O GLY A 61 -5.136 2.946 7.546 1.00 0.00 O ATOM 0 H GLY A 61 -9.302 2.415 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.284 4.229 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.042 3.117 8.230 1.00 0.00 H new ATOM 884 N VAL A 62 -6.351 1.064 7.231 1.00 0.00 N ATOM 885 CA VAL A 62 -5.199 0.178 7.291 1.00 0.00 C ATOM 886 C VAL A 62 -4.180 0.603 6.232 1.00 0.00 C ATOM 887 O VAL A 62 -2.996 0.288 6.345 1.00 0.00 O ATOM 888 CB VAL A 62 -5.651 -1.275 7.137 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.150 -1.868 5.819 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.192 -2.121 8.328 1.00 0.00 C ATOM 0 H VAL A 62 -7.244 0.594 7.081 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.709 0.251 8.262 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.741 -1.287 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.485 -2.902 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.547 -1.289 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.061 -1.837 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.526 -3.150 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.104 -2.098 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.618 -1.718 9.247 1.00 0.00 H new ATOM 900 N ILE A 63 -4.675 1.312 5.229 1.00 0.00 N ATOM 901 CA ILE A 63 -3.822 1.783 4.152 1.00 0.00 C ATOM 902 C ILE A 63 -3.046 3.015 4.622 1.00 0.00 C ATOM 903 O ILE A 63 -1.891 3.208 4.245 1.00 0.00 O ATOM 904 CB ILE A 63 -4.642 2.020 2.883 1.00 0.00 C ATOM 905 CG1 ILE A 63 -5.729 0.955 2.725 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.737 2.103 1.651 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.121 -0.449 2.695 1.00 0.00 C ATOM 0 H ILE A 63 -5.657 1.572 5.139 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.086 1.023 3.890 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.145 2.982 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.439 1.030 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.287 1.133 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.346 2.272 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.034 2.927 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.186 1.169 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.915 -1.187 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.430 -0.528 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.584 -0.633 3.626 1.00 0.00 H new ATOM 918 N LEU A 64 -3.712 3.817 5.439 1.00 0.00 N ATOM 919 CA LEU A 64 -3.101 5.025 5.965 1.00 0.00 C ATOM 920 C LEU A 64 -2.123 4.652 7.082 1.00 0.00 C ATOM 921 O LEU A 64 -1.283 5.462 7.473 1.00 0.00 O ATOM 922 CB LEU A 64 -4.175 6.025 6.398 1.00 0.00 C ATOM 923 CG LEU A 64 -4.133 7.393 5.714 1.00 0.00 C ATOM 924 CD1 LEU A 64 -4.031 7.243 4.195 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.331 8.250 6.126 1.00 0.00 C ATOM 0 H LEU A 64 -4.670 3.654 5.750 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.524 5.528 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.153 5.579 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.090 6.176 7.474 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.236 7.914 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.003 8.230 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.121 6.698 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.897 6.694 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.276 9.217 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.254 7.746 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.317 8.399 7.206 1.00 0.00 H new ATOM 936 N GLY A 65 -2.263 3.426 7.562 1.00 0.00 N ATOM 937 CA GLY A 65 -1.403 2.936 8.626 1.00 0.00 C ATOM 938 C GLY A 65 -0.043 2.503 8.074 1.00 0.00 C ATOM 939 O GLY A 65 0.958 2.529 8.790 1.00 0.00 O ATOM 0 H GLY A 65 -2.959 2.757 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.264 3.716 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.881 2.094 9.127 1.00 0.00 H new ATOM 943 N ARG A 66 -0.049 2.116 6.807 1.00 0.00 N ATOM 944 CA ARG A 66 1.172 1.678 6.152 1.00 0.00 C ATOM 945 C ARG A 66 1.992 2.888 5.698 1.00 0.00 C ATOM 946 O ARG A 66 3.222 2.839 5.687 1.00 0.00 O ATOM 947 CB ARG A 66 0.861 0.798 4.940 1.00 0.00 C ATOM 948 CG ARG A 66 1.655 -0.510 4.995 1.00 0.00 C ATOM 949 CD ARG A 66 1.083 -1.540 4.020 1.00 0.00 C ATOM 950 NE ARG A 66 0.218 -0.868 3.025 1.00 0.00 N ATOM 951 CZ ARG A 66 -1.114 -0.702 3.168 1.00 0.00 C ATOM 952 NH1 ARG A 66 -1.746 -1.158 4.271 1.00 0.00 N ATOM 953 NH2 ARG A 66 -1.789 -0.087 2.215 1.00 0.00 N ATOM 0 H ARG A 66 -0.880 2.097 6.216 1.00 0.00 H new ATOM 0 HA ARG A 66 1.745 1.095 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.206 0.579 4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.103 1.336 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.700 -0.316 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.632 -0.911 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.894 -2.064 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.510 -2.290 4.565 1.00 0.00 H new ATOM 0 HE ARG A 66 0.656 -0.507 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.217 -1.631 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.753 -1.029 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.304 0.255 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.796 0.046 2.308 1.00 0.00 H new ATOM 963 N TYR A 67 1.279 3.944 5.333 1.00 0.00 N ATOM 964 CA TYR A 67 1.926 5.163 4.879 1.00 0.00 C ATOM 965 C TYR A 67 2.781 5.777 5.990 1.00 0.00 C ATOM 966 O TYR A 67 3.928 6.154 5.759 1.00 0.00 O ATOM 967 CB TYR A 67 0.797 6.133 4.526 1.00 0.00 C ATOM 968 CG TYR A 67 1.151 7.121 3.413 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.056 6.735 2.091 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.567 8.399 3.731 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.389 7.665 1.044 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.899 9.329 2.683 1.00 0.00 C ATOM 973 CZ TYR A 67 1.795 8.916 1.391 1.00 0.00 C ATOM 974 OH TYR A 67 2.110 9.795 0.401 1.00 0.00 O ATOM 0 H TYR A 67 0.260 3.980 5.343 1.00 0.00 H new ATOM 0 HA TYR A 67 2.581 4.957 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.079 5.560 4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.520 6.692 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.732 5.735 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.643 8.701 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.318 7.376 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.223 10.332 2.917 1.00 0.00 H new ATOM 0 HH TYR A 67 1.449 10.518 0.383 1.00 0.00 H new ATOM 983 N LYS A 68 2.189 5.858 7.172 1.00 0.00 N ATOM 984 CA LYS A 68 2.881 6.420 8.320 1.00 0.00 C ATOM 985 C LYS A 68 3.791 5.353 8.933 1.00 0.00 C ATOM 986 O LYS A 68 4.464 5.606 9.931 1.00 0.00 O ATOM 987 CB LYS A 68 1.880 7.017 9.310 1.00 0.00 C ATOM 988 CG LYS A 68 0.755 7.751 8.578 1.00 0.00 C ATOM 989 CD LYS A 68 1.163 9.188 8.246 1.00 0.00 C ATOM 990 CE LYS A 68 0.642 10.163 9.303 1.00 0.00 C ATOM 991 NZ LYS A 68 1.565 11.310 9.450 1.00 0.00 N ATOM 0 H LYS A 68 1.237 5.544 7.360 1.00 0.00 H new ATOM 0 HA LYS A 68 3.521 7.247 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.459 6.225 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.393 7.707 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.506 7.219 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.142 7.758 9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.249 9.257 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.772 9.464 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.348 10.520 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.535 9.650 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.196 11.962 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.502 10.966 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.646 11.809 8.541 1.00 0.00 H new ATOM 1000 N GLN A 69 3.782 4.183 8.310 1.00 0.00 N ATOM 1001 CA GLN A 69 4.598 3.078 8.782 1.00 0.00 C ATOM 1002 C GLN A 69 5.948 3.070 8.061 1.00 0.00 C ATOM 1003 O GLN A 69 6.969 2.720 8.653 1.00 0.00 O ATOM 1004 CB GLN A 69 3.872 1.744 8.599 1.00 0.00 C ATOM 1005 CG GLN A 69 3.613 1.072 9.950 1.00 0.00 C ATOM 1006 CD GLN A 69 2.556 1.838 10.749 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.419 3.046 10.647 1.00 0.00 O ATOM 1008 NE2 GLN A 69 1.820 1.070 11.547 1.00 0.00 N ATOM 0 H GLN A 69 3.222 3.977 7.483 1.00 0.00 H new ATOM 0 HA GLN A 69 4.778 3.214 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.926 1.908 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.469 1.084 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.282 0.046 9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.541 1.024 10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.988 0.065 11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.088 1.486 12.122 1.00 0.00 H new ATOM 1015 N ILE A 70 5.911 3.460 6.795 1.00 0.00 N ATOM 1016 CA ILE A 70 7.118 3.503 5.990 1.00 0.00 C ATOM 1017 C ILE A 70 7.714 4.911 6.044 1.00 0.00 C ATOM 1018 O ILE A 70 8.921 5.085 5.884 1.00 0.00 O ATOM 1019 CB ILE A 70 6.832 3.010 4.569 1.00 0.00 C ATOM 1020 CG1 ILE A 70 8.122 2.578 3.868 1.00 0.00 C ATOM 1021 CG2 ILE A 70 6.069 4.065 3.767 1.00 0.00 C ATOM 1022 CD1 ILE A 70 8.629 1.247 4.426 1.00 0.00 C ATOM 0 H ILE A 70 5.063 3.749 6.308 1.00 0.00 H new ATOM 0 HA ILE A 70 7.869 2.824 6.394 1.00 0.00 H new ATOM 0 HB ILE A 70 6.192 2.130 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.944 2.483 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.885 3.345 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.878 3.690 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.121 4.281 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.663 4.977 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.547 0.962 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.829 1.352 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.873 0.477 4.273 1.00 0.00 H new ATOM 1033 N LYS A 71 6.840 5.880 6.269 1.00 0.00 N ATOM 1034 CA LYS A 71 7.263 7.268 6.346 1.00 0.00 C ATOM 1035 C LYS A 71 7.896 7.528 7.714 1.00 0.00 C ATOM 1036 O LYS A 71 8.781 8.372 7.842 1.00 0.00 O ATOM 1037 CB LYS A 71 6.097 8.203 6.020 1.00 0.00 C ATOM 1038 CG LYS A 71 5.432 8.717 7.298 1.00 0.00 C ATOM 1039 CD LYS A 71 5.836 10.165 7.583 1.00 0.00 C ATOM 1040 CE LYS A 71 6.925 10.229 8.655 1.00 0.00 C ATOM 1041 NZ LYS A 71 6.678 11.358 9.580 1.00 0.00 N ATOM 0 H LYS A 71 5.839 5.732 6.401 1.00 0.00 H new ATOM 0 HA LYS A 71 8.026 7.476 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.456 9.045 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.363 7.676 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.348 8.651 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.715 8.084 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.195 10.633 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.964 10.732 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.949 9.293 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.901 10.345 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.427 11.386 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.678 12.251 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.756 11.232 10.044 1.00 0.00 H new ATOM 1050 N GLN A 72 7.417 6.787 8.702 1.00 0.00 N ATOM 1051 CA GLN A 72 7.924 6.927 10.057 1.00 0.00 C ATOM 1052 C GLN A 72 9.360 6.404 10.142 1.00 0.00 C ATOM 1053 O GLN A 72 10.139 6.852 10.982 1.00 0.00 O ATOM 1054 CB GLN A 72 7.019 6.210 11.060 1.00 0.00 C ATOM 1055 CG GLN A 72 7.844 5.515 12.145 1.00 0.00 C ATOM 1056 CD GLN A 72 6.973 5.159 13.351 1.00 0.00 C ATOM 1057 OE1 GLN A 72 5.769 4.988 13.252 1.00 0.00 O ATOM 1058 NE2 GLN A 72 7.648 5.057 14.493 1.00 0.00 N ATOM 0 H GLN A 72 6.683 6.087 8.592 1.00 0.00 H new ATOM 0 HA GLN A 72 7.927 7.986 10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.339 6.928 11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.404 5.476 10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.297 4.610 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.659 6.166 12.460 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.656 5.213 14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.158 4.823 15.356 1.00 0.00 H new ATOM 1065 N ILE A 73 9.666 5.463 9.261 1.00 0.00 N ATOM 1066 CA ILE A 73 10.993 4.873 9.226 1.00 0.00 C ATOM 1067 C ILE A 73 11.957 5.836 8.528 1.00 0.00 C ATOM 1068 O ILE A 73 13.151 5.843 8.819 1.00 0.00 O ATOM 1069 CB ILE A 73 10.946 3.483 8.589 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.539 2.888 8.675 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.997 2.560 9.210 1.00 0.00 C ATOM 1072 CD1 ILE A 73 8.929 3.121 10.059 1.00 0.00 C ATOM 0 H ILE A 73 9.017 5.094 8.566 1.00 0.00 H new ATOM 0 HA ILE A 73 11.368 4.722 10.238 1.00 0.00 H new ATOM 0 HB ILE A 73 11.189 3.583 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.903 3.338 7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.579 1.819 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.943 1.578 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.990 2.982 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.808 2.461 10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.929 2.688 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.555 2.649 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.868 4.192 10.254 1.00 0.00 H new ATOM 1083 N GLY A 74 11.399 6.626 7.622 1.00 0.00 N ATOM 1084 CA GLY A 74 12.193 7.591 6.881 1.00 0.00 C ATOM 1085 C GLY A 74 12.232 7.241 5.392 1.00 0.00 C ATOM 1086 O GLY A 74 13.098 7.720 4.660 1.00 0.00 O ATOM 0 H GLY A 74 10.407 6.617 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.775 8.589 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.207 7.615 7.279 1.00 0.00 H new ATOM 1090 N GLY A 75 11.284 6.408 4.988 1.00 0.00 N ATOM 1091 CA GLY A 75 11.200 5.988 3.599 1.00 0.00 C ATOM 1092 C GLY A 75 10.033 6.676 2.888 1.00 0.00 C ATOM 1093 O GLY A 75 9.847 7.885 3.021 1.00 0.00 O ATOM 0 H GLY A 75 10.568 6.013 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.133 6.224 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.074 4.906 3.549 1.00 0.00 H new ATOM 1097 N GLU A 76 9.278 5.877 2.149 1.00 0.00 N ATOM 1098 CA GLU A 76 8.135 6.393 1.417 1.00 0.00 C ATOM 1099 C GLU A 76 7.103 5.286 1.193 1.00 0.00 C ATOM 1100 O GLU A 76 7.453 4.107 1.148 1.00 0.00 O ATOM 1101 CB GLU A 76 8.569 7.015 0.089 1.00 0.00 C ATOM 1102 CG GLU A 76 10.087 7.200 0.040 1.00 0.00 C ATOM 1103 CD GLU A 76 10.495 8.544 0.647 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.679 8.756 0.948 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.531 9.387 0.803 1.00 0.00 O ATOM 0 H GLU A 76 9.436 4.875 2.042 1.00 0.00 H new ATOM 0 HA GLU A 76 7.672 7.179 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.250 6.378 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.077 7.979 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.574 6.389 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.431 7.144 -0.993 1.00 0.00 H new ATOM 1111 N MET A 77 5.853 5.704 1.059 1.00 0.00 N ATOM 1112 CA MET A 77 4.768 4.762 0.841 1.00 0.00 C ATOM 1113 C MET A 77 4.162 4.936 -0.553 1.00 0.00 C ATOM 1114 O MET A 77 3.807 6.046 -0.945 1.00 0.00 O ATOM 1115 CB MET A 77 3.684 4.977 1.900 1.00 0.00 C ATOM 1116 CG MET A 77 2.712 3.796 1.937 1.00 0.00 C ATOM 1117 SD MET A 77 3.394 2.476 2.927 1.00 0.00 S ATOM 1118 CE MET A 77 2.666 1.067 2.107 1.00 0.00 C ATOM 0 H MET A 77 5.567 6.682 1.097 1.00 0.00 H new ATOM 0 HA MET A 77 5.169 3.751 0.919 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.147 5.103 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.138 5.896 1.685 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.755 4.115 2.350 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.520 3.441 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.947 0.155 2.633 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.581 1.167 2.107 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.026 1.018 1.079 1.00 0.00 H new ATOM 1126 N VAL A 78 4.063 3.823 -1.264 1.00 0.00 N ATOM 1127 CA VAL A 78 3.507 3.838 -2.606 1.00 0.00 C ATOM 1128 C VAL A 78 2.404 2.783 -2.708 1.00 0.00 C ATOM 1129 O VAL A 78 2.461 1.753 -2.037 1.00 0.00 O ATOM 1130 CB VAL A 78 4.620 3.640 -3.636 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.040 3.349 -5.022 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.552 4.853 -3.677 1.00 0.00 C ATOM 0 H VAL A 78 4.359 2.904 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 78 3.053 4.805 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 78 5.208 2.775 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.853 3.212 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.437 2.442 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.416 4.185 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.334 4.686 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.981 5.742 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.006 4.997 -2.696 1.00 0.00 H new ATOM 1142 N VAL A 79 1.426 3.076 -3.553 1.00 0.00 N ATOM 1143 CA VAL A 79 0.311 2.165 -3.751 1.00 0.00 C ATOM 1144 C VAL A 79 -0.245 2.347 -5.165 1.00 0.00 C ATOM 1145 O VAL A 79 -0.352 3.471 -5.654 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.742 2.382 -2.662 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.621 1.140 -2.496 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -0.086 2.771 -1.336 1.00 0.00 C ATOM 0 H VAL A 79 1.383 3.931 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 79 0.642 1.130 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.383 3.207 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.361 1.320 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.129 0.926 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.000 0.289 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.856 2.919 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.588 1.976 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.478 3.695 -1.466 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.585 1.225 -5.783 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.127 1.247 -7.130 1.00 0.00 C ATOM 1160 C CYS A 80 -2.136 0.104 -7.260 1.00 0.00 C ATOM 1161 O CYS A 80 -2.516 -0.510 -6.264 1.00 0.00 O ATOM 1162 CB CYS A 80 -0.023 1.157 -8.185 1.00 0.00 C ATOM 1163 SG CYS A 80 0.708 -0.521 -8.186 1.00 0.00 S ATOM 0 H CYS A 80 -0.495 0.295 -5.375 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.631 2.197 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.430 1.386 -9.170 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.749 1.899 -7.979 1.00 0.00 H new ATOM 0 HG CYS A 80 1.066 -0.839 -6.977 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.542 -0.146 -8.497 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.499 -1.204 -8.770 1.00 0.00 C ATOM 1170 C ALA A 81 -4.913 -0.694 -8.482 1.00 0.00 C ATOM 1171 O ALA A 81 -5.820 -1.483 -8.220 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.146 -2.440 -7.940 1.00 0.00 C ATOM 0 H ALA A 81 -2.225 0.366 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.460 -1.494 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.865 -3.234 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.144 -2.781 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.177 -2.188 -6.880 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.055 0.622 -8.540 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.343 1.247 -8.288 1.00 0.00 C ATOM 1180 C ILE A 82 -7.294 0.929 -9.445 1.00 0.00 C ATOM 1181 O ILE A 82 -7.002 0.069 -10.274 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.170 2.744 -8.028 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.112 3.222 -6.921 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.348 3.549 -9.318 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.755 2.575 -5.581 1.00 0.00 C ATOM 0 H ILE A 82 -4.300 1.273 -8.758 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.794 0.840 -7.383 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.151 2.914 -7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.054 4.307 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.141 2.978 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.220 4.610 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.604 3.233 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.347 3.377 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.439 2.931 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.838 1.492 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.733 2.841 -5.309 1.00 0.00 H new ATOM 1196 N SER A 83 -8.411 1.640 -9.463 1.00 0.00 N ATOM 1197 CA SER A 83 -9.407 1.445 -10.503 1.00 0.00 C ATOM 1198 C SER A 83 -10.363 2.638 -10.543 1.00 0.00 C ATOM 1199 O SER A 83 -10.290 3.526 -9.694 1.00 0.00 O ATOM 1200 CB SER A 83 -10.186 0.147 -10.283 1.00 0.00 C ATOM 1201 OG SER A 83 -11.529 0.393 -9.879 1.00 0.00 O ATOM 0 H SER A 83 -8.649 2.353 -8.773 1.00 0.00 H new ATOM 0 HA SER A 83 -8.891 1.369 -11.460 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.185 -0.437 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.683 -0.453 -9.525 1.00 0.00 H new ATOM 0 HG SER A 83 -11.993 -0.460 -9.750 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.261 2.621 -11.564 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.231 3.691 -11.726 1.00 0.00 C ATOM 1208 C PRO A 84 -13.352 3.575 -10.692 1.00 0.00 C ATOM 1209 O PRO A 84 -14.158 4.492 -10.539 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.727 3.560 -13.157 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.367 2.150 -13.595 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.377 1.587 -12.587 1.00 0.00 C ATOM 0 HA PRO A 84 -11.801 4.678 -11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.803 3.724 -13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.257 4.302 -13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.259 1.526 -13.643 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.931 2.160 -14.594 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.734 0.649 -12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.413 1.380 -13.052 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.369 2.440 -10.007 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.378 2.193 -8.993 1.00 0.00 C ATOM 1219 C ALA A 85 -13.692 1.787 -7.687 1.00 0.00 C ATOM 1220 O ALA A 85 -14.306 1.150 -6.831 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.356 1.128 -9.493 1.00 0.00 C ATOM 0 H ALA A 85 -12.699 1.682 -10.135 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.954 3.097 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.113 0.943 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.838 1.477 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.815 0.204 -9.698 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.429 2.172 -7.573 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.654 1.856 -6.386 1.00 0.00 C ATOM 1229 C VAL A 86 -10.862 3.092 -5.956 1.00 0.00 C ATOM 1230 O VAL A 86 -10.672 3.329 -4.764 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.766 0.638 -6.650 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.565 0.620 -5.702 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.569 -0.660 -6.542 1.00 0.00 C ATOM 0 H VAL A 86 -11.923 2.700 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.312 1.588 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.388 0.714 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.950 -0.255 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.972 1.523 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.916 0.580 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.914 -1.510 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.990 -0.745 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.376 -0.651 -7.275 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.420 3.848 -6.951 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.652 5.054 -6.690 1.00 0.00 C ATOM 1245 C LYS A 87 -10.578 6.129 -6.118 1.00 0.00 C ATOM 1246 O LYS A 87 -10.113 7.132 -5.577 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.903 5.494 -7.949 1.00 0.00 C ATOM 1248 CG LYS A 87 -8.102 6.773 -7.691 1.00 0.00 C ATOM 1249 CD LYS A 87 -7.645 7.407 -9.006 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.542 8.586 -9.388 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.074 9.208 -10.647 1.00 0.00 N ATOM 0 H LYS A 87 -10.579 3.649 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.884 4.863 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.231 4.699 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.613 5.662 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.713 7.483 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.234 6.545 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.614 7.746 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.663 6.660 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.571 8.245 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.540 9.326 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.694 10.006 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.100 9.551 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.098 8.504 -11.412 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.874 5.885 -6.258 1.00 0.00 N ATOM 1261 CA ARG A 88 -12.869 6.820 -5.762 1.00 0.00 C ATOM 1262 C ARG A 88 -12.805 6.903 -4.235 1.00 0.00 C ATOM 1263 O ARG A 88 -13.177 7.919 -3.648 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.278 6.400 -6.185 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.852 5.359 -5.222 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.217 3.987 -5.456 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.244 2.927 -5.334 1.00 0.00 N ATOM 1268 CZ ARG A 88 -15.918 2.653 -4.198 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -15.679 3.358 -3.073 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.814 1.683 -4.203 1.00 0.00 N ATOM 0 H ARG A 88 -12.257 5.053 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.649 7.797 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.929 7.274 -6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.252 5.991 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.677 5.674 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.932 5.291 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.762 3.952 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.420 3.818 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.455 2.369 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.984 4.105 -3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.193 3.144 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.988 1.154 -5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.332 1.463 -3.352 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.332 5.820 -3.635 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.215 5.758 -2.188 1.00 0.00 C ATOM 1282 C LEU A 89 -11.290 6.877 -1.707 1.00 0.00 C ATOM 1283 O LEU A 89 -11.604 7.577 -0.745 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.773 4.361 -1.746 1.00 0.00 C ATOM 1285 CG LEU A 89 -12.850 3.492 -1.092 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.312 2.093 -0.782 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.425 4.174 0.150 1.00 0.00 C ATOM 0 H LEU A 89 -12.026 4.979 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.185 5.923 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.386 3.832 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.945 4.468 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.669 3.372 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.097 1.496 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.990 1.614 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.465 2.172 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.188 3.535 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.628 4.345 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.870 5.128 -0.132 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.167 7.011 -2.397 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.194 8.033 -2.052 1.00 0.00 C ATOM 1300 C PHE A 90 -9.516 9.355 -2.749 1.00 0.00 C ATOM 1301 O PHE A 90 -9.167 10.425 -2.253 1.00 0.00 O ATOM 1302 CB PHE A 90 -7.831 7.534 -2.535 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.498 6.107 -2.093 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.914 5.049 -2.841 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.785 5.897 -0.954 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.605 3.725 -2.431 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.476 4.573 -0.544 1.00 0.00 C ATOM 1308 CZ PHE A 90 -6.893 3.515 -1.292 1.00 0.00 C ATOM 0 H PHE A 90 -9.909 6.428 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.205 8.209 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.803 7.582 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.057 8.207 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.479 5.216 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.454 6.737 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.936 2.885 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.910 4.406 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.658 2.508 -0.980 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.180 9.239 -3.891 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.553 10.413 -4.661 1.00 0.00 C ATOM 1319 C ASP A 91 -11.626 11.195 -3.903 1.00 0.00 C ATOM 1320 O ASP A 91 -11.667 12.423 -3.968 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.131 10.017 -6.022 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.449 10.665 -7.228 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.244 10.958 -7.199 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.218 10.871 -8.244 1.00 0.00 O ATOM 0 H ASP A 91 -10.469 8.351 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.658 11.017 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.066 8.934 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.190 10.276 -6.040 1.00 0.00 H new ATOM 1329 N MET A 92 -12.468 10.454 -3.198 1.00 0.00 N ATOM 1330 CA MET A 92 -13.538 11.065 -2.427 1.00 0.00 C ATOM 1331 C MET A 92 -13.027 11.553 -1.071 1.00 0.00 C ATOM 1332 O MET A 92 -13.474 12.583 -0.568 1.00 0.00 O ATOM 1333 CB MET A 92 -14.659 10.045 -2.213 1.00 0.00 C ATOM 1334 CG MET A 92 -15.861 10.689 -1.521 1.00 0.00 C ATOM 1335 SD MET A 92 -16.631 9.517 -0.417 1.00 0.00 S ATOM 1336 CE MET A 92 -18.178 9.259 -1.269 1.00 0.00 C ATOM 0 H MET A 92 -12.431 9.436 -3.144 1.00 0.00 H new ATOM 0 HA MET A 92 -13.916 11.924 -2.982 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.967 9.631 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.290 9.215 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.541 11.570 -0.964 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.582 11.027 -2.266 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.787 8.547 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.711 10.206 -1.351 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.983 8.865 -2.267 1.00 0.00 H new ATOM 1344 N SER A 93 -12.096 10.791 -0.516 1.00 0.00 N ATOM 1345 CA SER A 93 -11.518 11.133 0.773 1.00 0.00 C ATOM 1346 C SER A 93 -10.696 12.419 0.653 1.00 0.00 C ATOM 1347 O SER A 93 -10.925 13.377 1.389 1.00 0.00 O ATOM 1348 CB SER A 93 -10.647 9.994 1.306 1.00 0.00 C ATOM 1349 OG SER A 93 -10.895 9.734 2.685 1.00 0.00 O ATOM 0 H SER A 93 -11.727 9.937 -0.935 1.00 0.00 H new ATOM 0 HA SER A 93 -12.331 11.294 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.837 9.090 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.596 10.246 1.168 1.00 0.00 H new ATOM 0 HG SER A 93 -10.321 8.999 2.988 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.756 12.398 -0.281 1.00 0.00 N ATOM 1355 CA GLY A 94 -8.900 13.549 -0.507 1.00 0.00 C ATOM 1356 C GLY A 94 -7.566 13.394 0.227 1.00 0.00 C ATOM 1357 O GLY A 94 -6.653 14.196 0.041 1.00 0.00 O ATOM 0 H GLY A 94 -9.569 11.601 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.719 13.668 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.404 14.454 -0.166 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.497 12.355 1.048 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.292 12.083 1.810 1.00 0.00 C ATOM 1363 C LEU A 95 -5.316 11.281 0.947 1.00 0.00 C ATOM 1364 O LEU A 95 -4.332 10.742 1.452 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.638 11.405 3.138 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.659 11.645 4.289 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.237 13.114 4.354 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.244 11.158 5.616 1.00 0.00 C ATOM 0 H LEU A 95 -8.257 11.692 1.201 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.792 13.015 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.625 11.745 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.710 10.331 2.967 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.759 11.060 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.541 13.256 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.752 13.395 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.117 13.739 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.528 11.340 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.168 11.696 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.453 10.090 5.552 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.624 11.226 -0.341 1.00 0.00 N ATOM 1380 CA PHE A 96 -4.787 10.498 -1.279 1.00 0.00 C ATOM 1381 C PHE A 96 -3.345 11.008 -1.238 1.00 0.00 C ATOM 1382 O PHE A 96 -2.419 10.293 -1.618 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.363 10.744 -2.675 1.00 0.00 C ATOM 1384 CG PHE A 96 -5.581 9.469 -3.492 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.029 8.295 -3.082 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -6.327 9.508 -4.629 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.231 7.112 -3.840 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -6.529 8.325 -5.387 1.00 0.00 C ATOM 1389 CZ PHE A 96 -5.977 7.151 -4.976 1.00 0.00 C ATOM 0 H PHE A 96 -6.441 11.674 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.776 9.438 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.314 11.268 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -4.691 11.404 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.437 8.263 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.766 10.439 -4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.792 6.181 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.121 8.357 -6.290 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.131 6.251 -5.552 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.200 12.240 -0.772 1.00 0.00 N ATOM 1399 CA LYS A 97 -1.887 12.854 -0.677 1.00 0.00 C ATOM 1400 C LYS A 97 -1.030 12.063 0.314 1.00 0.00 C ATOM 1401 O LYS A 97 0.197 12.059 0.214 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.014 14.339 -0.332 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.088 15.012 -1.188 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.922 16.532 -1.182 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.861 17.191 -2.195 1.00 0.00 C ATOM 1406 NZ LYS A 97 -3.223 18.384 -2.795 1.00 0.00 N ATOM 0 H LYS A 97 -3.970 12.829 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.378 12.817 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.263 14.451 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.056 14.835 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.028 14.640 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.076 14.749 -0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.128 16.920 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.889 16.789 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.119 16.478 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.791 17.477 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.874 18.818 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.998 19.071 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.347 18.102 -3.281 1.00 0.00 H new ATOM 1415 N ILE A 98 -1.710 11.412 1.247 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.026 10.620 2.255 1.00 0.00 C ATOM 1417 C ILE A 98 -1.064 9.145 1.851 1.00 0.00 C ATOM 1418 O ILE A 98 -0.739 8.270 2.651 1.00 0.00 O ATOM 1419 CB ILE A 98 -1.614 10.894 3.640 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.257 9.632 4.222 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -2.593 12.068 3.599 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.253 8.845 5.067 1.00 0.00 C ATOM 0 H ILE A 98 -2.727 11.417 1.326 1.00 0.00 H new ATOM 0 HA ILE A 98 0.024 10.906 2.317 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.799 11.178 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.116 9.906 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.629 9.003 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.996 12.241 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.073 12.963 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.408 11.838 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.735 7.954 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.406 8.551 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.901 9.469 5.889 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.465 8.916 0.608 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.550 7.562 0.088 1.00 0.00 C ATOM 1435 C ILE A 99 -0.722 7.459 -1.194 1.00 0.00 C ATOM 1436 O ILE A 99 -0.363 6.363 -1.620 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.012 7.147 -0.090 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.640 6.763 1.251 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.143 6.029 -1.126 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.835 5.658 1.937 1.00 0.00 C ATOM 0 H ILE A 99 -1.734 9.645 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.126 6.854 0.800 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.566 8.005 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.687 7.639 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.665 6.427 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.192 5.753 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.759 6.375 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.571 5.161 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.303 5.404 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.810 4.776 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.817 6.006 2.115 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.442 8.618 -1.773 1.00 0.00 N ATOM 1452 CA ARG A 100 0.338 8.673 -2.998 1.00 0.00 C ATOM 1453 C ARG A 100 0.091 7.421 -3.842 1.00 0.00 C ATOM 1454 O ARG A 100 0.837 6.448 -3.751 1.00 0.00 O ATOM 1455 CB ARG A 100 1.833 8.786 -2.695 1.00 0.00 C ATOM 1456 CG ARG A 100 2.609 9.257 -3.927 1.00 0.00 C ATOM 1457 CD ARG A 100 3.219 10.640 -3.696 1.00 0.00 C ATOM 1458 NE ARG A 100 2.148 11.630 -3.444 1.00 0.00 N ATOM 1459 CZ ARG A 100 2.336 12.967 -3.455 1.00 0.00 C ATOM 1460 NH1 ARG A 100 3.556 13.486 -3.706 1.00 0.00 N ATOM 1461 NH2 ARG A 100 1.308 13.759 -3.217 1.00 0.00 N ATOM 0 H ARG A 100 -0.741 9.526 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 100 0.022 9.557 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.989 9.485 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.215 7.819 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.398 8.542 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.944 9.289 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.903 10.608 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.804 10.938 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 100 1.210 11.281 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.346 12.867 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.689 14.497 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.389 13.359 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.432 14.771 -3.221 1.00 0.00 H new ATOM 1471 N PHE A 101 -0.963 7.486 -4.644 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.319 6.370 -5.503 1.00 0.00 C ATOM 1473 C PHE A 101 -1.091 6.717 -6.975 1.00 0.00 C ATOM 1474 O PHE A 101 -0.808 7.866 -7.310 1.00 0.00 O ATOM 1475 CB PHE A 101 -2.807 6.091 -5.281 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.148 4.606 -5.138 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.297 3.834 -6.248 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.301 4.060 -3.903 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.614 2.456 -6.115 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.618 2.682 -3.771 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.767 1.909 -4.880 1.00 0.00 C ATOM 0 H PHE A 101 -1.581 8.294 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.703 5.504 -5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.135 6.616 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.372 6.504 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.174 4.268 -7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.182 4.674 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.734 1.842 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.741 2.248 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.007 0.861 -4.779 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.224 5.702 -7.817 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.036 5.886 -9.247 1.00 0.00 C ATOM 1492 C GLU A 102 -1.967 4.957 -10.028 1.00 0.00 C ATOM 1493 O GLU A 102 -3.076 4.665 -9.583 1.00 0.00 O ATOM 1494 CB GLU A 102 0.424 5.659 -9.642 1.00 0.00 C ATOM 1495 CG GLU A 102 0.905 6.741 -10.610 1.00 0.00 C ATOM 1496 CD GLU A 102 1.885 7.695 -9.924 1.00 0.00 C ATOM 1497 OE1 GLU A 102 1.702 8.029 -8.744 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.867 8.091 -10.660 1.00 0.00 O ATOM 0 H GLU A 102 -1.460 4.750 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.289 6.916 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.050 5.660 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.531 4.678 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.387 6.276 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.050 7.302 -10.988 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.481 4.516 -11.179 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.255 3.624 -12.026 1.00 0.00 C ATOM 1506 C GLN A 103 -1.325 2.692 -12.806 1.00 0.00 C ATOM 1507 O GLN A 103 -0.919 3.008 -13.924 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.159 4.416 -12.973 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.032 5.405 -12.199 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.843 6.285 -13.153 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.374 5.833 -14.154 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -4.907 7.562 -12.788 1.00 0.00 N ATOM 0 H GLN A 103 -0.561 4.760 -11.545 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.896 3.015 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.549 4.954 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.792 3.730 -13.536 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.707 4.860 -11.539 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.404 6.032 -11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.439 7.873 -11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.424 8.230 -13.359 1.00 0.00 H new ATOM 1519 N SER A 104 -1.015 1.563 -12.186 1.00 0.00 N ATOM 1520 CA SER A 104 -0.141 0.584 -12.808 1.00 0.00 C ATOM 1521 C SER A 104 1.110 1.273 -13.358 1.00 0.00 C ATOM 1522 O SER A 104 2.223 0.992 -12.915 1.00 0.00 O ATOM 1523 CB SER A 104 -0.866 -0.170 -13.925 1.00 0.00 C ATOM 1524 OG SER A 104 0.018 -1.011 -14.661 1.00 0.00 O ATOM 0 H SER A 104 -1.354 1.305 -11.259 1.00 0.00 H new ATOM 0 HA SER A 104 0.155 -0.141 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.666 -0.773 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.333 0.545 -14.602 1.00 0.00 H new ATOM 0 HG SER A 104 -0.482 -1.476 -15.364 1.00 0.00 H new ATOM 1529 N GLU A 105 0.885 2.162 -14.314 1.00 0.00 N ATOM 1530 CA GLU A 105 1.980 2.893 -14.929 1.00 0.00 C ATOM 1531 C GLU A 105 3.082 3.160 -13.901 1.00 0.00 C ATOM 1532 O GLU A 105 4.261 3.206 -14.248 1.00 0.00 O ATOM 1533 CB GLU A 105 1.485 4.199 -15.555 1.00 0.00 C ATOM 1534 CG GLU A 105 2.644 5.167 -15.791 1.00 0.00 C ATOM 1535 CD GLU A 105 2.244 6.273 -16.771 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.155 6.025 -17.982 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.021 7.424 -16.232 1.00 0.00 O ATOM 0 H GLU A 105 -0.039 2.393 -14.678 1.00 0.00 H new ATOM 0 HA GLU A 105 2.396 2.281 -15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.985 3.987 -16.500 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.746 4.663 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.952 5.609 -14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.503 4.623 -16.182 1.00 0.00 H new ATOM 1543 N GLN A 106 2.658 3.331 -12.657 1.00 0.00 N ATOM 1544 CA GLN A 106 3.594 3.594 -11.577 1.00 0.00 C ATOM 1545 C GLN A 106 4.452 2.356 -11.306 1.00 0.00 C ATOM 1546 O GLN A 106 5.379 2.403 -10.500 1.00 0.00 O ATOM 1547 CB GLN A 106 2.860 4.039 -10.311 1.00 0.00 C ATOM 1548 CG GLN A 106 3.747 3.872 -9.076 1.00 0.00 C ATOM 1549 CD GLN A 106 3.275 4.777 -7.936 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.828 5.835 -7.680 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.225 4.305 -7.269 1.00 0.00 N ATOM 0 H GLN A 106 1.679 3.293 -12.373 1.00 0.00 H new ATOM 0 HA GLN A 106 4.251 4.409 -11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.559 5.082 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.948 3.454 -10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.731 2.832 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.780 4.110 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.811 3.412 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.834 4.836 -6.491 1.00 0.00 H new ATOM 1558 N GLN A 107 4.113 1.277 -11.997 1.00 0.00 N ATOM 1559 CA GLN A 107 4.841 0.029 -11.841 1.00 0.00 C ATOM 1560 C GLN A 107 6.314 0.308 -11.537 1.00 0.00 C ATOM 1561 O GLN A 107 6.963 -0.463 -10.832 1.00 0.00 O ATOM 1562 CB GLN A 107 4.695 -0.849 -13.085 1.00 0.00 C ATOM 1563 CG GLN A 107 5.468 -2.160 -12.924 1.00 0.00 C ATOM 1564 CD GLN A 107 5.040 -3.183 -13.979 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.106 -3.948 -13.796 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.770 -3.153 -15.089 1.00 0.00 N ATOM 0 H GLN A 107 3.344 1.241 -12.666 1.00 0.00 H new ATOM 0 HA GLN A 107 4.414 -0.516 -10.999 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.641 -1.063 -13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.062 -0.311 -13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.538 -1.969 -13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.297 -2.567 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.538 -2.487 -15.177 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.563 -3.796 -15.853 1.00 0.00 H new ATOM 1573 N ALA A 108 6.799 1.413 -12.084 1.00 0.00 N ATOM 1574 CA ALA A 108 8.184 1.803 -11.881 1.00 0.00 C ATOM 1575 C ALA A 108 8.289 2.645 -10.608 1.00 0.00 C ATOM 1576 O ALA A 108 9.110 2.360 -9.736 1.00 0.00 O ATOM 1577 CB ALA A 108 8.692 2.548 -13.116 1.00 0.00 C ATOM 0 H ALA A 108 6.258 2.051 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 108 8.815 0.924 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.731 2.840 -12.963 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.623 1.897 -13.988 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.085 3.438 -13.279 1.00 0.00 H new ATOM 1583 N LEU A 109 7.447 3.666 -10.540 1.00 0.00 N ATOM 1584 CA LEU A 109 7.437 4.551 -9.388 1.00 0.00 C ATOM 1585 C LEU A 109 6.995 3.766 -8.150 1.00 0.00 C ATOM 1586 O LEU A 109 7.234 4.193 -7.022 1.00 0.00 O ATOM 1587 CB LEU A 109 6.579 5.787 -9.669 1.00 0.00 C ATOM 1588 CG LEU A 109 7.313 7.129 -9.661 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.412 8.251 -10.181 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.871 7.440 -8.271 1.00 0.00 C ATOM 0 H LEU A 109 6.767 3.900 -11.264 1.00 0.00 H new ATOM 0 HA LEU A 109 8.441 4.926 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.104 5.661 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.781 5.827 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 109 8.162 7.058 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.959 9.194 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.105 8.027 -11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.529 8.332 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.388 8.399 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.053 7.485 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.570 6.658 -7.976 1.00 0.00 H new ATOM 1601 N LEU A 110 6.360 2.632 -8.405 1.00 0.00 N ATOM 1602 CA LEU A 110 5.884 1.783 -7.325 1.00 0.00 C ATOM 1603 C LEU A 110 7.057 1.417 -6.415 1.00 0.00 C ATOM 1604 O LEU A 110 6.903 1.340 -5.197 1.00 0.00 O ATOM 1605 CB LEU A 110 5.139 0.570 -7.887 1.00 0.00 C ATOM 1606 CG LEU A 110 3.850 0.180 -7.162 1.00 0.00 C ATOM 1607 CD1 LEU A 110 4.132 -0.195 -5.705 1.00 0.00 C ATOM 1608 CD2 LEU A 110 2.800 1.287 -7.275 1.00 0.00 C ATOM 0 H LEU A 110 6.164 2.281 -9.342 1.00 0.00 H new ATOM 0 HA LEU A 110 5.159 2.317 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.899 0.768 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.814 -0.285 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 110 3.439 -0.704 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.199 -0.468 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.820 -1.040 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.578 0.656 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.894 0.984 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.188 2.203 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.570 1.464 -8.326 1.00 0.00 H new ATOM 1619 N THR A 111 8.205 1.200 -7.040 1.00 0.00 N ATOM 1620 CA THR A 111 9.404 0.844 -6.302 1.00 0.00 C ATOM 1621 C THR A 111 9.711 1.902 -5.240 1.00 0.00 C ATOM 1622 O THR A 111 10.629 1.733 -4.438 1.00 0.00 O ATOM 1623 CB THR A 111 10.539 0.645 -7.308 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.760 -0.762 -7.311 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.865 1.230 -6.818 1.00 0.00 C ATOM 0 H THR A 111 8.330 1.264 -8.050 1.00 0.00 H new ATOM 0 HA THR A 111 9.269 -0.090 -5.756 1.00 0.00 H new ATOM 0 HB THR A 111 10.267 1.107 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.480 -0.979 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.637 1.062 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.750 2.301 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.154 0.745 -5.886 1.00 0.00 H new ATOM 1633 N LEU A 112 8.926 2.968 -5.270 1.00 0.00 N ATOM 1634 CA LEU A 112 9.102 4.054 -4.320 1.00 0.00 C ATOM 1635 C LEU A 112 9.912 5.173 -4.977 1.00 0.00 C ATOM 1636 O LEU A 112 10.587 5.941 -4.292 1.00 0.00 O ATOM 1637 CB LEU A 112 9.716 3.533 -3.019 1.00 0.00 C ATOM 1638 CG LEU A 112 9.833 4.547 -1.879 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.272 3.976 -0.576 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.277 5.028 -1.720 1.00 0.00 C ATOM 0 H LEU A 112 8.166 3.104 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 112 8.137 4.478 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.118 2.691 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.711 3.147 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 112 9.229 5.418 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.368 4.717 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.220 3.724 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.827 3.079 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.333 5.748 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.922 4.177 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.606 5.502 -2.645 1.00 0.00 H new ATOM 1651 N GLY A 113 9.819 5.231 -6.297 1.00 0.00 N ATOM 1652 CA GLY A 113 10.534 6.245 -7.054 1.00 0.00 C ATOM 1653 C GLY A 113 11.958 6.423 -6.522 1.00 0.00 C ATOM 1654 O GLY A 113 12.545 7.496 -6.656 1.00 0.00 O ATOM 0 H GLY A 113 9.259 4.592 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.568 5.962 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.999 7.193 -6.995 1.00 0.00 H new ATOM 1658 N VAL A 114 12.471 5.357 -5.927 1.00 0.00 N ATOM 1659 CA VAL A 114 13.815 5.382 -5.374 1.00 0.00 C ATOM 1660 C VAL A 114 14.487 4.030 -5.615 1.00 0.00 C ATOM 1661 O VAL A 114 14.731 3.277 -4.674 1.00 0.00 O ATOM 1662 CB VAL A 114 13.763 5.769 -3.894 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.096 5.469 -3.202 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.376 7.239 -3.724 1.00 0.00 C ATOM 0 H VAL A 114 11.980 4.470 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 114 14.420 6.138 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 114 12.993 5.163 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.033 5.753 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.313 4.404 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.892 6.037 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.347 7.487 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.112 7.869 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.393 7.410 -4.164 1.00 0.00 H new ATOM 1674 N ALA A 115 14.768 3.762 -6.883 1.00 0.00 N ATOM 1675 CA ALA A 115 15.408 2.514 -7.260 1.00 0.00 C ATOM 1676 C ALA A 115 15.148 2.240 -8.742 1.00 0.00 C ATOM 1677 O ALA A 115 14.108 1.689 -9.102 1.00 0.00 O ATOM 1678 CB ALA A 115 14.898 1.387 -6.359 1.00 0.00 C ATOM 0 H ALA A 115 14.564 4.389 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 115 16.487 2.578 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.378 0.450 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.134 1.617 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.818 1.290 -6.473 1.00 0.00 H new ATOM 1684 N SER A 116 16.108 2.639 -9.562 1.00 0.00 N ATOM 1685 CA SER A 116 15.996 2.443 -10.998 1.00 0.00 C ATOM 1686 C SER A 116 14.741 3.141 -11.524 1.00 0.00 C ATOM 1687 O SER A 116 14.261 4.101 -10.922 1.00 0.00 O ATOM 1688 CB SER A 116 15.962 0.954 -11.350 1.00 0.00 C ATOM 1689 OG SER A 116 15.502 0.730 -12.680 1.00 0.00 O ATOM 0 H SER A 116 16.968 3.097 -9.260 1.00 0.00 H new ATOM 0 HA SER A 116 16.874 2.881 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 116 16.960 0.532 -11.236 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.312 0.430 -10.649 1.00 0.00 H new ATOM 0 HG SER A 116 15.496 -0.232 -12.867 1.00 0.00 H new TER 1694 SER A 116