USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 902 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 THR OG1 : rot 77:sc= 0.108 USER MOD Set 2.2: A 107 LYS NZ :NH3+ 149:sc= -0.0274 (180deg=-1.31!) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.404 K(o=-1.4,f=-2.6) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.993 K(o=-1.4,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 134:sc= -13.8! (180deg=-18.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.3 (180deg=-1.33!) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -0.868 (180deg=-3.48!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 120:sc= -1.51 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -157:sc= -1.14 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -7.64! C(o=-7.6!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -160:sc=-0.00166 (180deg=-0.769) USER MOD Single : A 67 SER OG : rot -40:sc= -0.3 USER MOD Single : A 68 THR OG1 : rot -64:sc= -1.37 USER MOD Single : A 70 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.74) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.291 F(o=-1.1,f=-0.29) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 93:sc= 1.14 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= -0.0144 (180deg=-0.365) USER MOD Single : A 97 TYR OH : rot 90:sc= 0.6 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 83:sc= 0.631 USER MOD Single : A 115 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.053) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 12:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.101 -21.097 8.873 1.00 0.00 N ATOM 2 CA GLY A 1 -19.720 -19.785 8.835 1.00 0.00 C ATOM 3 C GLY A 1 -18.764 -18.706 8.369 1.00 0.00 C ATOM 4 O GLY A 1 -18.423 -17.798 9.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.796 -21.799 9.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.770 -21.352 7.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.293 -21.081 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.583 -19.813 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.091 -19.533 9.828 1.00 0.00 H new ATOM 8 N SER A 2 -18.328 -18.804 7.117 1.00 0.00 N ATOM 9 CA SER A 2 -17.400 -17.831 6.552 1.00 0.00 C ATOM 10 C SER A 2 -17.597 -17.705 5.044 1.00 0.00 C ATOM 11 O SER A 2 -17.714 -18.705 4.337 1.00 0.00 O ATOM 12 CB SER A 2 -15.956 -18.235 6.857 1.00 0.00 C ATOM 13 OG SER A 2 -15.040 -17.296 6.321 1.00 0.00 O ATOM 0 H SER A 2 -18.602 -19.547 6.475 1.00 0.00 H new ATOM 0 HA SER A 2 -17.603 -16.863 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.816 -18.310 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.755 -19.222 6.440 1.00 0.00 H new ATOM 0 HG SER A 2 -14.124 -17.576 6.531 1.00 0.00 H new ATOM 19 N SER A 3 -17.632 -16.468 4.560 1.00 0.00 N ATOM 20 CA SER A 3 -17.819 -16.208 3.138 1.00 0.00 C ATOM 21 C SER A 3 -16.747 -16.913 2.312 1.00 0.00 C ATOM 22 O SER A 3 -17.033 -17.490 1.264 1.00 0.00 O ATOM 23 CB SER A 3 -17.783 -14.704 2.863 1.00 0.00 C ATOM 24 OG SER A 3 -18.258 -14.412 1.560 1.00 0.00 O ATOM 0 H SER A 3 -17.533 -15.629 5.132 1.00 0.00 H new ATOM 0 HA SER A 3 -18.794 -16.599 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.392 -14.182 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.763 -14.335 2.973 1.00 0.00 H new ATOM 0 HG SER A 3 -18.226 -13.444 1.410 1.00 0.00 H new ATOM 30 N GLY A 4 -15.508 -16.861 2.793 1.00 0.00 N ATOM 31 CA GLY A 4 -14.411 -17.498 2.088 1.00 0.00 C ATOM 32 C GLY A 4 -13.558 -16.504 1.325 1.00 0.00 C ATOM 33 O GLY A 4 -13.902 -16.106 0.212 1.00 0.00 O ATOM 0 H GLY A 4 -15.245 -16.389 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.787 -18.035 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.810 -18.238 1.394 1.00 0.00 H new ATOM 37 N SER A 5 -12.442 -16.101 1.925 1.00 0.00 N ATOM 38 CA SER A 5 -11.540 -15.143 1.297 1.00 0.00 C ATOM 39 C SER A 5 -10.813 -15.776 0.114 1.00 0.00 C ATOM 40 O SER A 5 -9.998 -16.682 0.286 1.00 0.00 O ATOM 41 CB SER A 5 -10.524 -14.623 2.316 1.00 0.00 C ATOM 42 OG SER A 5 -11.034 -13.502 3.017 1.00 0.00 O ATOM 0 H SER A 5 -12.141 -16.423 2.845 1.00 0.00 H new ATOM 0 HA SER A 5 -12.136 -14.307 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.274 -15.415 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.601 -14.348 1.806 1.00 0.00 H new ATOM 0 HG SER A 5 -10.367 -13.189 3.663 1.00 0.00 H new ATOM 48 N SER A 6 -11.115 -15.292 -1.086 1.00 0.00 N ATOM 49 CA SER A 6 -10.493 -15.812 -2.298 1.00 0.00 C ATOM 50 C SER A 6 -9.597 -14.760 -2.944 1.00 0.00 C ATOM 51 O SER A 6 -10.020 -14.037 -3.845 1.00 0.00 O ATOM 52 CB SER A 6 -11.565 -16.265 -3.292 1.00 0.00 C ATOM 53 OG SER A 6 -12.160 -17.484 -2.880 1.00 0.00 O ATOM 0 H SER A 6 -11.786 -14.541 -1.245 1.00 0.00 H new ATOM 0 HA SER A 6 -9.877 -16.668 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.331 -15.495 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.121 -16.389 -4.280 1.00 0.00 H new ATOM 0 HG SER A 6 -12.842 -17.751 -3.531 1.00 0.00 H new ATOM 59 N GLY A 7 -8.355 -14.681 -2.476 1.00 0.00 N ATOM 60 CA GLY A 7 -7.418 -13.714 -3.018 1.00 0.00 C ATOM 61 C GLY A 7 -6.242 -13.466 -2.095 1.00 0.00 C ATOM 62 O GLY A 7 -6.327 -13.658 -0.881 1.00 0.00 O ATOM 0 H GLY A 7 -7.981 -15.269 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.051 -14.069 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.937 -12.773 -3.201 1.00 0.00 H new ATOM 66 N PRO A 8 -5.113 -13.030 -2.672 1.00 0.00 N ATOM 67 CA PRO A 8 -3.893 -12.746 -1.911 1.00 0.00 C ATOM 68 C PRO A 8 -4.034 -11.511 -1.028 1.00 0.00 C ATOM 69 O PRO A 8 -3.718 -11.547 0.162 1.00 0.00 O ATOM 70 CB PRO A 8 -2.843 -12.508 -2.999 1.00 0.00 C ATOM 71 CG PRO A 8 -3.623 -12.058 -4.186 1.00 0.00 C ATOM 72 CD PRO A 8 -4.941 -12.779 -4.113 1.00 0.00 C ATOM 0 HA PRO A 8 -3.642 -13.557 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.119 -11.754 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.283 -13.418 -3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.768 -10.978 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.098 -12.297 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.753 -12.173 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.923 -13.708 -4.683 1.00 0.00 H new ATOM 80 N VAL A 9 -4.511 -10.419 -1.617 1.00 0.00 N ATOM 81 CA VAL A 9 -4.695 -9.173 -0.883 1.00 0.00 C ATOM 82 C VAL A 9 -6.154 -8.732 -0.908 1.00 0.00 C ATOM 83 O VAL A 9 -6.774 -8.654 -1.969 1.00 0.00 O ATOM 84 CB VAL A 9 -3.820 -8.046 -1.462 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.768 -8.135 -2.980 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.339 -6.687 -1.017 1.00 0.00 C ATOM 0 H VAL A 9 -4.777 -10.372 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.393 -9.364 0.147 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.806 -8.165 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.145 -7.330 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.346 -9.096 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.776 -8.043 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.709 -5.902 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.363 -6.556 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.318 -6.628 0.071 1.00 0.00 H new ATOM 96 N LYS A 10 -6.699 -8.443 0.269 1.00 0.00 N ATOM 97 CA LYS A 10 -8.086 -8.007 0.385 1.00 0.00 C ATOM 98 C LYS A 10 -8.291 -6.660 -0.301 1.00 0.00 C ATOM 99 O LYS A 10 -7.417 -5.794 -0.266 1.00 0.00 O ATOM 100 CB LYS A 10 -8.490 -7.909 1.857 1.00 0.00 C ATOM 101 CG LYS A 10 -9.745 -8.693 2.197 1.00 0.00 C ATOM 102 CD LYS A 10 -10.998 -7.966 1.738 1.00 0.00 C ATOM 103 CE LYS A 10 -11.122 -6.600 2.395 1.00 0.00 C ATOM 104 NZ LYS A 10 -10.450 -5.538 1.597 1.00 0.00 N ATOM 0 H LYS A 10 -6.201 -8.503 1.157 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.716 -8.746 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.668 -8.269 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.646 -6.861 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.700 -9.675 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.792 -8.857 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.976 -7.849 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.876 -8.566 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.176 -6.350 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.685 -6.636 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.076 -4.711 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.564 -5.260 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.239 -5.900 0.645 1.00 0.00 H new ATOM 118 N VAL A 11 -9.454 -6.489 -0.923 1.00 0.00 N ATOM 119 CA VAL A 11 -9.775 -5.246 -1.614 1.00 0.00 C ATOM 120 C VAL A 11 -10.811 -4.438 -0.840 1.00 0.00 C ATOM 121 O VAL A 11 -11.990 -4.791 -0.805 1.00 0.00 O ATOM 122 CB VAL A 11 -10.308 -5.515 -3.034 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.781 -4.223 -3.681 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.240 -6.187 -3.885 1.00 0.00 C ATOM 0 H VAL A 11 -10.189 -7.195 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.849 -4.674 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.161 -6.190 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.154 -4.433 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.580 -3.787 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.949 -3.521 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.633 -6.370 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.366 -5.538 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.954 -7.135 -3.429 1.00 0.00 H new ATOM 134 N LEU A 12 -10.362 -3.352 -0.220 1.00 0.00 N ATOM 135 CA LEU A 12 -11.250 -2.492 0.555 1.00 0.00 C ATOM 136 C LEU A 12 -11.958 -1.487 -0.347 1.00 0.00 C ATOM 137 O LEU A 12 -11.420 -1.070 -1.373 1.00 0.00 O ATOM 138 CB LEU A 12 -10.461 -1.755 1.638 1.00 0.00 C ATOM 139 CG LEU A 12 -9.512 -2.612 2.477 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.360 -1.771 3.005 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.262 -3.272 3.625 1.00 0.00 C ATOM 0 H LEU A 12 -9.389 -3.046 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.004 -3.122 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.880 -0.965 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.170 -1.270 2.309 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.102 -3.395 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.695 -2.397 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.806 -1.346 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.752 -0.966 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.571 -3.878 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.701 -2.504 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.052 -3.908 3.226 1.00 0.00 H new ATOM 153 N VAL A 13 -13.168 -1.099 0.043 1.00 0.00 N ATOM 154 CA VAL A 13 -13.949 -0.139 -0.729 1.00 0.00 C ATOM 155 C VAL A 13 -14.415 1.020 0.146 1.00 0.00 C ATOM 156 O VAL A 13 -14.407 0.928 1.372 1.00 0.00 O ATOM 157 CB VAL A 13 -15.178 -0.806 -1.375 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.751 -1.730 -2.505 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.983 -1.564 -0.331 1.00 0.00 C ATOM 0 H VAL A 13 -13.629 -1.435 0.889 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.296 0.242 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.814 -0.027 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.632 -2.192 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.221 -1.155 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.094 -2.506 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.847 -2.029 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.359 -2.335 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.321 -0.872 0.441 1.00 0.00 H new ATOM 169 N GLY A 14 -14.821 2.112 -0.495 1.00 0.00 N ATOM 170 CA GLY A 14 -15.285 3.274 0.240 1.00 0.00 C ATOM 171 C GLY A 14 -16.597 3.021 0.956 1.00 0.00 C ATOM 172 O GLY A 14 -17.118 3.900 1.642 1.00 0.00 O ATOM 0 H GLY A 14 -14.837 2.212 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.528 3.566 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.405 4.111 -0.448 1.00 0.00 H new ATOM 176 N LYS A 15 -17.134 1.817 0.795 1.00 0.00 N ATOM 177 CA LYS A 15 -18.393 1.449 1.431 1.00 0.00 C ATOM 178 C LYS A 15 -18.147 0.758 2.768 1.00 0.00 C ATOM 179 O LYS A 15 -18.793 1.069 3.767 1.00 0.00 O ATOM 180 CB LYS A 15 -19.204 0.532 0.512 1.00 0.00 C ATOM 181 CG LYS A 15 -20.636 0.321 0.973 1.00 0.00 C ATOM 182 CD LYS A 15 -21.553 1.419 0.462 1.00 0.00 C ATOM 183 CE LYS A 15 -21.365 2.711 1.243 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.599 3.543 1.244 1.00 0.00 N ATOM 0 H LYS A 15 -16.716 1.078 0.229 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.959 2.363 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.213 0.955 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.706 -0.435 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.994 -0.646 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.669 0.296 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.353 1.599 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.590 1.093 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.084 2.477 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.543 3.281 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.430 4.414 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.853 3.788 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.377 3.009 1.681 1.00 0.00 H new ATOM 198 N ASN A 16 -17.206 -0.181 2.779 1.00 0.00 N ATOM 199 CA ASN A 16 -16.873 -0.916 3.994 1.00 0.00 C ATOM 200 C ASN A 16 -15.371 -0.875 4.260 1.00 0.00 C ATOM 201 O ASN A 16 -14.810 -1.796 4.854 1.00 0.00 O ATOM 202 CB ASN A 16 -17.343 -2.368 3.882 1.00 0.00 C ATOM 203 CG ASN A 16 -16.657 -3.112 2.752 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.245 -3.337 1.695 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.405 -3.498 2.973 1.00 0.00 N ATOM 0 H ASN A 16 -16.661 -0.451 1.960 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.385 -0.439 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.150 -2.883 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.421 -2.387 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.892 -4.003 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.957 -3.289 3.865 1.00 0.00 H new ATOM 212 N PHE A 17 -14.727 0.200 3.819 1.00 0.00 N ATOM 213 CA PHE A 17 -13.290 0.362 4.009 1.00 0.00 C ATOM 214 C PHE A 17 -12.923 0.263 5.487 1.00 0.00 C ATOM 215 O PHE A 17 -12.164 -0.618 5.890 1.00 0.00 O ATOM 216 CB PHE A 17 -12.828 1.707 3.446 1.00 0.00 C ATOM 217 CG PHE A 17 -11.620 2.265 4.142 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.405 1.600 4.091 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.698 3.456 4.846 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.293 2.111 4.732 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.588 3.972 5.488 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.384 3.299 5.430 1.00 0.00 C ATOM 0 H PHE A 17 -15.177 0.972 3.328 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.785 -0.441 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.605 1.591 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.645 2.424 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.327 0.672 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.637 3.987 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.353 1.581 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.662 4.901 6.034 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.515 3.701 5.930 1.00 0.00 H new ATOM 232 N GLU A 18 -13.466 1.174 6.288 1.00 0.00 N ATOM 233 CA GLU A 18 -13.194 1.191 7.720 1.00 0.00 C ATOM 234 C GLU A 18 -13.728 -0.072 8.390 1.00 0.00 C ATOM 235 O GLU A 18 -13.144 -0.572 9.351 1.00 0.00 O ATOM 236 CB GLU A 18 -13.821 2.428 8.367 1.00 0.00 C ATOM 237 CG GLU A 18 -13.236 3.738 7.867 1.00 0.00 C ATOM 238 CD GLU A 18 -14.226 4.884 7.938 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.953 4.979 8.949 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.274 5.687 6.982 1.00 0.00 O ATOM 0 H GLU A 18 -14.097 1.910 5.970 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.113 1.226 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.894 2.423 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.689 2.369 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.355 3.987 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.904 3.613 6.836 1.00 0.00 H new ATOM 247 N ASP A 19 -14.841 -0.582 7.874 1.00 0.00 N ATOM 248 CA ASP A 19 -15.455 -1.787 8.421 1.00 0.00 C ATOM 249 C ASP A 19 -14.453 -2.937 8.460 1.00 0.00 C ATOM 250 O ASP A 19 -14.392 -3.688 9.434 1.00 0.00 O ATOM 251 CB ASP A 19 -16.676 -2.185 7.590 1.00 0.00 C ATOM 252 CG ASP A 19 -17.941 -1.487 8.049 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.111 -0.294 7.722 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.761 -2.133 8.734 1.00 0.00 O ATOM 0 H ASP A 19 -15.336 -0.180 7.078 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.774 -1.572 9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.492 -1.946 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.817 -3.264 7.651 1.00 0.00 H new ATOM 259 N VAL A 20 -13.670 -3.070 7.394 1.00 0.00 N ATOM 260 CA VAL A 20 -12.671 -4.128 7.307 1.00 0.00 C ATOM 261 C VAL A 20 -11.294 -3.619 7.715 1.00 0.00 C ATOM 262 O VAL A 20 -10.665 -4.160 8.624 1.00 0.00 O ATOM 263 CB VAL A 20 -12.591 -4.707 5.882 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.538 -5.802 5.809 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.949 -5.232 5.443 1.00 0.00 C ATOM 0 H VAL A 20 -13.708 -2.458 6.579 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.982 -4.915 7.994 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.298 -3.908 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.496 -6.199 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.565 -5.390 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.797 -6.603 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.874 -5.637 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.274 -6.017 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.674 -4.419 5.454 1.00 0.00 H new ATOM 275 N ALA A 21 -10.830 -2.574 7.037 1.00 0.00 N ATOM 276 CA ALA A 21 -9.528 -1.989 7.331 1.00 0.00 C ATOM 277 C ALA A 21 -9.363 -1.740 8.827 1.00 0.00 C ATOM 278 O ALA A 21 -8.447 -2.269 9.457 1.00 0.00 O ATOM 279 CB ALA A 21 -9.343 -0.694 6.555 1.00 0.00 C ATOM 0 H ALA A 21 -11.337 -2.115 6.280 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.761 -2.698 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.366 -0.269 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.408 -0.898 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.122 0.014 6.837 1.00 0.00 H new ATOM 285 N PHE A 22 -10.254 -0.930 9.389 1.00 0.00 N ATOM 286 CA PHE A 22 -10.206 -0.609 10.810 1.00 0.00 C ATOM 287 C PHE A 22 -10.836 -1.724 11.641 1.00 0.00 C ATOM 288 O PHE A 22 -12.011 -1.657 12.000 1.00 0.00 O ATOM 289 CB PHE A 22 -10.927 0.713 11.081 1.00 0.00 C ATOM 290 CG PHE A 22 -10.074 1.923 10.828 1.00 0.00 C ATOM 291 CD1 PHE A 22 -9.044 2.254 11.694 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.302 2.730 9.725 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.259 3.367 11.465 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.520 3.845 9.491 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.496 4.163 10.361 1.00 0.00 C ATOM 0 H PHE A 22 -11.018 -0.484 8.882 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.160 -0.510 11.099 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.817 0.768 10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.266 0.727 12.117 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.853 1.635 12.558 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.100 2.485 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.460 3.615 12.149 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.710 4.467 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.882 5.032 10.179 1.00 0.00 H new ATOM 305 N ASP A 23 -10.044 -2.748 11.942 1.00 0.00 N ATOM 306 CA ASP A 23 -10.522 -3.877 12.731 1.00 0.00 C ATOM 307 C ASP A 23 -9.715 -4.022 14.017 1.00 0.00 C ATOM 308 O ASP A 23 -8.485 -4.039 13.990 1.00 0.00 O ATOM 309 CB ASP A 23 -10.440 -5.168 11.914 1.00 0.00 C ATOM 310 CG ASP A 23 -11.252 -6.293 12.526 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.496 -6.186 12.541 1.00 0.00 O ATOM 312 OD2 ASP A 23 -10.643 -7.279 12.992 1.00 0.00 O ATOM 0 H ASP A 23 -9.069 -2.819 11.652 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.562 -3.689 12.996 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.795 -4.977 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.398 -5.478 11.833 1.00 0.00 H new ATOM 317 N GLU A 24 -10.417 -4.125 15.142 1.00 0.00 N ATOM 318 CA GLU A 24 -9.764 -4.267 16.438 1.00 0.00 C ATOM 319 C GLU A 24 -9.071 -5.621 16.553 1.00 0.00 C ATOM 320 O GLU A 24 -9.502 -6.605 15.953 1.00 0.00 O ATOM 321 CB GLU A 24 -10.784 -4.106 17.567 1.00 0.00 C ATOM 322 CG GLU A 24 -10.267 -4.556 18.923 1.00 0.00 C ATOM 323 CD GLU A 24 -9.305 -3.560 19.541 1.00 0.00 C ATOM 324 OE1 GLU A 24 -9.304 -2.388 19.109 1.00 0.00 O ATOM 325 OE2 GLU A 24 -8.552 -3.952 20.457 1.00 0.00 O ATOM 0 H GLU A 24 -11.436 -4.113 15.182 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.010 -3.485 16.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.081 -3.059 17.630 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.679 -4.677 17.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.110 -4.707 19.597 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.768 -5.519 18.816 1.00 0.00 H new ATOM 332 N LYS A 25 -7.993 -5.663 17.329 1.00 0.00 N ATOM 333 CA LYS A 25 -7.238 -6.895 17.526 1.00 0.00 C ATOM 334 C LYS A 25 -6.780 -7.471 16.189 1.00 0.00 C ATOM 335 O LYS A 25 -6.656 -8.686 16.035 1.00 0.00 O ATOM 336 CB LYS A 25 -8.089 -7.925 18.272 1.00 0.00 C ATOM 337 CG LYS A 25 -7.970 -7.831 19.783 1.00 0.00 C ATOM 338 CD LYS A 25 -6.675 -8.451 20.280 1.00 0.00 C ATOM 339 CE LYS A 25 -6.833 -9.942 20.537 1.00 0.00 C ATOM 340 NZ LYS A 25 -7.969 -10.229 21.456 1.00 0.00 N ATOM 0 H LYS A 25 -7.622 -4.857 17.832 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.356 -6.661 18.123 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.134 -7.794 17.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.795 -8.925 17.954 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.014 -6.785 20.088 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.818 -8.335 20.248 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.887 -8.289 19.544 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.361 -7.954 21.198 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.992 -10.459 19.591 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.911 -10.337 20.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.798 -11.128 21.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.054 -9.462 22.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.850 -10.297 20.908 1.00 0.00 H new ATOM 354 N LYS A 26 -6.529 -6.591 15.226 1.00 0.00 N ATOM 355 CA LYS A 26 -6.081 -7.011 13.903 1.00 0.00 C ATOM 356 C LYS A 26 -5.281 -5.905 13.223 1.00 0.00 C ATOM 357 O LYS A 26 -5.774 -4.793 13.038 1.00 0.00 O ATOM 358 CB LYS A 26 -7.281 -7.395 13.035 1.00 0.00 C ATOM 359 CG LYS A 26 -6.956 -7.485 11.554 1.00 0.00 C ATOM 360 CD LYS A 26 -6.335 -8.826 11.200 1.00 0.00 C ATOM 361 CE LYS A 26 -7.384 -9.925 11.130 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.784 -11.242 10.778 1.00 0.00 N ATOM 0 H LYS A 26 -6.628 -5.582 15.337 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.435 -7.880 14.024 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.670 -8.356 13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.074 -6.661 13.181 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.866 -7.339 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.271 -6.682 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.823 -8.749 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.582 -9.087 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.893 -10.003 12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.139 -9.660 10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.104 -11.527 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.747 -11.164 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.082 -11.956 11.473 1.00 0.00 H new ATOM 376 N ASN A 27 -4.044 -6.218 12.852 1.00 0.00 N ATOM 377 CA ASN A 27 -3.176 -5.250 12.192 1.00 0.00 C ATOM 378 C ASN A 27 -3.341 -5.317 10.676 1.00 0.00 C ATOM 379 O ASN A 27 -2.748 -6.167 10.013 1.00 0.00 O ATOM 380 CB ASN A 27 -1.714 -5.504 12.568 1.00 0.00 C ATOM 381 CG ASN A 27 -1.514 -5.616 14.067 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.377 -4.610 14.763 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.497 -6.845 14.571 1.00 0.00 N ATOM 0 H ASN A 27 -3.620 -7.134 12.997 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.463 -4.254 12.528 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.373 -6.422 12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.096 -4.694 12.181 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.366 -6.984 15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.615 -7.650 13.956 1.00 0.00 H new ATOM 390 N VAL A 28 -4.152 -4.413 10.135 1.00 0.00 N ATOM 391 CA VAL A 28 -4.395 -4.367 8.698 1.00 0.00 C ATOM 392 C VAL A 28 -3.542 -3.293 8.031 1.00 0.00 C ATOM 393 O VAL A 28 -3.501 -2.148 8.482 1.00 0.00 O ATOM 394 CB VAL A 28 -5.879 -4.095 8.388 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.095 -3.957 6.889 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.753 -5.199 8.962 1.00 0.00 C ATOM 0 H VAL A 28 -4.652 -3.703 10.670 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.122 -5.344 8.299 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.165 -3.155 8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.149 -3.765 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.497 -3.128 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.793 -4.879 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.798 -4.991 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.468 -6.154 8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.619 -5.244 10.043 1.00 0.00 H new ATOM 406 N PHE A 29 -2.863 -3.670 6.953 1.00 0.00 N ATOM 407 CA PHE A 29 -2.010 -2.740 6.222 1.00 0.00 C ATOM 408 C PHE A 29 -2.625 -2.385 4.871 1.00 0.00 C ATOM 409 O PHE A 29 -2.517 -3.144 3.909 1.00 0.00 O ATOM 410 CB PHE A 29 -0.618 -3.342 6.019 1.00 0.00 C ATOM 411 CG PHE A 29 0.347 -2.408 5.347 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.135 -1.039 5.368 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.465 -2.900 4.693 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.021 -0.177 4.750 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.355 -2.042 4.074 1.00 0.00 C ATOM 416 CZ PHE A 29 2.132 -0.679 4.101 1.00 0.00 C ATOM 0 H PHE A 29 -2.887 -4.613 6.566 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.921 -1.828 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.213 -3.635 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.707 -4.250 5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.733 -0.641 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.643 -3.965 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.845 0.888 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.224 -2.437 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.825 -0.007 3.616 1.00 0.00 H new ATOM 426 N VAL A 30 -3.271 -1.225 4.808 1.00 0.00 N ATOM 427 CA VAL A 30 -3.903 -0.768 3.577 1.00 0.00 C ATOM 428 C VAL A 30 -2.893 -0.084 2.662 1.00 0.00 C ATOM 429 O VAL A 30 -1.884 0.448 3.124 1.00 0.00 O ATOM 430 CB VAL A 30 -5.059 0.208 3.867 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.817 0.533 2.590 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.993 -0.372 4.919 1.00 0.00 C ATOM 0 H VAL A 30 -3.370 -0.585 5.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.301 -1.652 3.079 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.640 1.135 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.630 1.224 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.139 0.993 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.227 -0.384 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.804 0.330 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.406 -1.314 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.438 -0.548 5.841 1.00 0.00 H new ATOM 442 N GLU A 31 -3.173 -0.101 1.362 1.00 0.00 N ATOM 443 CA GLU A 31 -2.288 0.518 0.383 1.00 0.00 C ATOM 444 C GLU A 31 -3.083 1.346 -0.623 1.00 0.00 C ATOM 445 O GLU A 31 -3.690 0.805 -1.547 1.00 0.00 O ATOM 446 CB GLU A 31 -1.475 -0.552 -0.350 1.00 0.00 C ATOM 447 CG GLU A 31 -0.875 -0.069 -1.660 1.00 0.00 C ATOM 448 CD GLU A 31 -0.318 -1.202 -2.500 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.084 -1.779 -3.299 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.883 -1.512 -2.357 1.00 0.00 O ATOM 0 H GLU A 31 -4.005 -0.536 0.963 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.607 1.182 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.673 -0.897 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.116 -1.411 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.638 0.461 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.080 0.647 -1.449 1.00 0.00 H new ATOM 457 N PHE A 32 -3.075 2.661 -0.435 1.00 0.00 N ATOM 458 CA PHE A 32 -3.796 3.565 -1.323 1.00 0.00 C ATOM 459 C PHE A 32 -3.016 3.796 -2.614 1.00 0.00 C ATOM 460 O PHE A 32 -2.091 4.607 -2.657 1.00 0.00 O ATOM 461 CB PHE A 32 -4.056 4.901 -0.625 1.00 0.00 C ATOM 462 CG PHE A 32 -4.899 4.777 0.612 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.280 4.853 0.536 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.309 4.586 1.852 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.059 4.739 1.673 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.083 4.470 2.991 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.459 4.548 2.902 1.00 0.00 C ATOM 0 H PHE A 32 -2.577 3.125 0.325 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.751 3.103 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.101 5.355 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.548 5.577 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.754 5.003 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.233 4.527 1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.135 4.799 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.612 4.318 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.065 4.460 3.792 1.00 0.00 H new ATOM 477 N TYR A 33 -3.396 3.076 -3.664 1.00 0.00 N ATOM 478 CA TYR A 33 -2.731 3.200 -4.956 1.00 0.00 C ATOM 479 C TYR A 33 -3.585 4.000 -5.934 1.00 0.00 C ATOM 480 O TYR A 33 -4.728 4.348 -5.637 1.00 0.00 O ATOM 481 CB TYR A 33 -2.434 1.816 -5.535 1.00 0.00 C ATOM 482 CG TYR A 33 -3.675 1.036 -5.906 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.389 1.334 -7.060 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.134 0.000 -5.102 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.523 0.625 -7.402 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.268 -0.716 -5.436 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.959 -0.400 -6.587 1.00 0.00 C ATOM 488 OH TYR A 33 -7.088 -1.110 -6.925 1.00 0.00 O ATOM 0 H TYR A 33 -4.160 2.401 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.792 3.732 -4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.808 1.928 -6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.859 1.243 -4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.051 2.135 -7.701 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.595 -0.250 -4.200 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.066 0.871 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.611 -1.518 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.258 -1.797 -6.247 1.00 0.00 H new ATOM 498 N ALA A 34 -3.022 4.288 -7.103 1.00 0.00 N ATOM 499 CA ALA A 34 -3.732 5.044 -8.127 1.00 0.00 C ATOM 500 C ALA A 34 -3.697 4.319 -9.468 1.00 0.00 C ATOM 501 O ALA A 34 -2.660 3.818 -9.904 1.00 0.00 O ATOM 502 CB ALA A 34 -3.135 6.437 -8.263 1.00 0.00 C ATOM 0 H ALA A 34 -2.076 4.009 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.774 5.135 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.675 6.991 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.217 6.963 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.085 6.357 -8.544 1.00 0.00 H new ATOM 508 N PRO A 35 -4.857 4.260 -10.140 1.00 0.00 N ATOM 509 CA PRO A 35 -4.985 3.597 -11.441 1.00 0.00 C ATOM 510 C PRO A 35 -4.268 4.358 -12.552 1.00 0.00 C ATOM 511 O PRO A 35 -4.179 3.883 -13.684 1.00 0.00 O ATOM 512 CB PRO A 35 -6.496 3.589 -11.688 1.00 0.00 C ATOM 513 CG PRO A 35 -7.015 4.738 -10.894 1.00 0.00 C ATOM 514 CD PRO A 35 -6.132 4.835 -9.681 1.00 0.00 C ATOM 0 HA PRO A 35 -4.534 2.605 -11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.725 3.704 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.945 2.650 -11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.983 5.660 -11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.055 4.577 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.012 5.868 -9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.544 4.279 -8.839 1.00 0.00 H new ATOM 522 N TRP A 36 -3.758 5.538 -12.220 1.00 0.00 N ATOM 523 CA TRP A 36 -3.047 6.363 -13.190 1.00 0.00 C ATOM 524 C TRP A 36 -1.627 6.656 -12.720 1.00 0.00 C ATOM 525 O TRP A 36 -0.804 7.165 -13.482 1.00 0.00 O ATOM 526 CB TRP A 36 -3.801 7.674 -13.424 1.00 0.00 C ATOM 527 CG TRP A 36 -4.536 8.161 -12.212 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.851 7.949 -11.911 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.998 8.943 -11.140 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.163 8.552 -10.716 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.043 9.168 -10.223 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.735 9.473 -10.864 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.862 9.900 -9.053 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.557 10.200 -9.703 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.615 10.408 -8.808 1.00 0.00 C ATOM 0 H TRP A 36 -3.823 5.945 -11.287 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.991 5.811 -14.128 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.094 8.440 -13.743 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.511 7.536 -14.240 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.544 7.390 -12.522 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.080 8.542 -10.269 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.912 9.317 -11.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.677 10.061 -8.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.585 10.615 -9.481 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.443 10.980 -7.908 1.00 0.00 H new ATOM 546 N CYS A 37 -1.346 6.332 -11.463 1.00 0.00 N ATOM 547 CA CYS A 37 -0.024 6.560 -10.891 1.00 0.00 C ATOM 548 C CYS A 37 0.977 5.531 -11.406 1.00 0.00 C ATOM 549 O CYS A 37 0.859 4.340 -11.122 1.00 0.00 O ATOM 550 CB CYS A 37 -0.089 6.507 -9.364 1.00 0.00 C ATOM 551 SG CYS A 37 1.529 6.483 -8.557 1.00 0.00 S ATOM 0 H CYS A 37 -2.016 5.910 -10.820 1.00 0.00 H new ATOM 0 HA CYS A 37 0.311 7.551 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.650 7.370 -9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.645 5.619 -9.065 1.00 0.00 H new ATOM 0 HG CYS A 37 1.642 7.519 -7.780 1.00 0.00 H new ATOM 557 N GLY A 38 1.962 5.999 -12.167 1.00 0.00 N ATOM 558 CA GLY A 38 2.967 5.105 -12.711 1.00 0.00 C ATOM 559 C GLY A 38 3.622 4.251 -11.644 1.00 0.00 C ATOM 560 O GLY A 38 3.846 3.057 -11.845 1.00 0.00 O ATOM 0 H GLY A 38 2.082 6.981 -12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.507 4.458 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.731 5.690 -13.223 1.00 0.00 H new ATOM 564 N HIS A 39 3.933 4.863 -10.506 1.00 0.00 N ATOM 565 CA HIS A 39 4.567 4.151 -9.403 1.00 0.00 C ATOM 566 C HIS A 39 3.718 2.962 -8.963 1.00 0.00 C ATOM 567 O HIS A 39 4.242 1.890 -8.661 1.00 0.00 O ATOM 568 CB HIS A 39 4.795 5.095 -8.221 1.00 0.00 C ATOM 569 CG HIS A 39 6.117 5.797 -8.262 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.269 5.264 -7.722 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.468 6.995 -8.783 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.270 6.105 -7.908 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.811 7.164 -8.550 1.00 0.00 N ATOM 0 H HIS A 39 3.756 5.851 -10.324 1.00 0.00 H new ATOM 0 HA HIS A 39 5.530 3.778 -9.751 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.998 5.839 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.723 4.527 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.814 7.690 -9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.291 5.953 -7.589 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.364 7.975 -8.828 1.00 0.00 H new ATOM 582 N CYS A 40 2.405 3.161 -8.928 1.00 0.00 N ATOM 583 CA CYS A 40 1.482 2.106 -8.524 1.00 0.00 C ATOM 584 C CYS A 40 1.649 0.871 -9.403 1.00 0.00 C ATOM 585 O CYS A 40 1.765 -0.249 -8.904 1.00 0.00 O ATOM 586 CB CYS A 40 0.039 2.606 -8.595 1.00 0.00 C ATOM 587 SG CYS A 40 -1.183 1.300 -8.856 1.00 0.00 S ATOM 0 H CYS A 40 1.956 4.043 -9.174 1.00 0.00 H new ATOM 0 HA CYS A 40 1.713 1.831 -7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.198 3.131 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.043 3.332 -9.404 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.258 1.810 -9.380 1.00 0.00 H new ATOM 593 N LYS A 41 1.660 1.082 -10.715 1.00 0.00 N ATOM 594 CA LYS A 41 1.812 -0.013 -11.665 1.00 0.00 C ATOM 595 C LYS A 41 2.942 -0.947 -11.243 1.00 0.00 C ATOM 596 O LYS A 41 2.941 -2.129 -11.584 1.00 0.00 O ATOM 597 CB LYS A 41 2.087 0.536 -13.067 1.00 0.00 C ATOM 598 CG LYS A 41 0.851 1.084 -13.759 1.00 0.00 C ATOM 599 CD LYS A 41 1.198 1.731 -15.090 1.00 0.00 C ATOM 600 CE LYS A 41 -0.004 2.440 -15.694 1.00 0.00 C ATOM 601 NZ LYS A 41 0.353 3.171 -16.942 1.00 0.00 N ATOM 0 H LYS A 41 1.565 2.002 -11.145 1.00 0.00 H new ATOM 0 HA LYS A 41 0.881 -0.580 -11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.835 1.326 -12.998 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.515 -0.256 -13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.136 0.278 -13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.366 1.816 -13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.010 2.445 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.559 0.971 -15.782 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.785 1.711 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.415 3.141 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.493 3.641 -17.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.080 3.884 -16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.722 2.499 -17.645 1.00 0.00 H new ATOM 615 N GLN A 42 3.901 -0.408 -10.498 1.00 0.00 N ATOM 616 CA GLN A 42 5.036 -1.195 -10.029 1.00 0.00 C ATOM 617 C GLN A 42 4.740 -1.820 -8.669 1.00 0.00 C ATOM 618 O GLN A 42 5.287 -2.868 -8.323 1.00 0.00 O ATOM 619 CB GLN A 42 6.288 -0.321 -9.940 1.00 0.00 C ATOM 620 CG GLN A 42 6.769 0.192 -11.288 1.00 0.00 C ATOM 621 CD GLN A 42 8.198 0.695 -11.245 1.00 0.00 C ATOM 622 OE1 GLN A 42 9.122 -0.051 -10.922 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.387 1.969 -11.571 1.00 0.00 N ATOM 0 H GLN A 42 3.915 0.569 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 42 5.211 -1.996 -10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.082 0.529 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.088 -0.894 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.691 -0.607 -12.025 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.114 0.997 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.592 2.552 -11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.327 2.364 -11.560 1.00 0.00 H new ATOM 632 N LEU A 43 3.872 -1.170 -7.902 1.00 0.00 N ATOM 633 CA LEU A 43 3.503 -1.662 -6.579 1.00 0.00 C ATOM 634 C LEU A 43 2.424 -2.735 -6.678 1.00 0.00 C ATOM 635 O LEU A 43 2.206 -3.499 -5.738 1.00 0.00 O ATOM 636 CB LEU A 43 3.012 -0.508 -5.703 1.00 0.00 C ATOM 637 CG LEU A 43 3.100 -0.727 -4.192 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.552 -0.816 -3.749 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.380 0.388 -3.448 1.00 0.00 C ATOM 0 H LEU A 43 3.411 -0.302 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 43 4.389 -2.105 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.587 0.383 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.973 -0.300 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 43 2.610 -1.671 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.595 -0.972 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.037 -1.651 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.067 0.111 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.453 0.215 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.840 1.345 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.331 0.403 -3.742 1.00 0.00 H new ATOM 651 N ALA A 44 1.753 -2.788 -7.824 1.00 0.00 N ATOM 652 CA ALA A 44 0.699 -3.770 -8.047 1.00 0.00 C ATOM 653 C ALA A 44 1.188 -5.180 -7.733 1.00 0.00 C ATOM 654 O ALA A 44 0.585 -5.910 -6.946 1.00 0.00 O ATOM 655 CB ALA A 44 0.200 -3.691 -9.482 1.00 0.00 C ATOM 0 H ALA A 44 1.921 -2.163 -8.612 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.126 -3.541 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.587 -4.430 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.196 -2.694 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.025 -3.893 -10.166 1.00 0.00 H new ATOM 661 N PRO A 45 2.305 -5.574 -8.361 1.00 0.00 N ATOM 662 CA PRO A 45 2.899 -6.900 -8.163 1.00 0.00 C ATOM 663 C PRO A 45 3.506 -7.062 -6.774 1.00 0.00 C ATOM 664 O PRO A 45 3.253 -8.053 -6.088 1.00 0.00 O ATOM 665 CB PRO A 45 3.990 -6.963 -9.234 1.00 0.00 C ATOM 666 CG PRO A 45 4.345 -5.540 -9.498 1.00 0.00 C ATOM 667 CD PRO A 45 3.076 -4.756 -9.312 1.00 0.00 C ATOM 0 HA PRO A 45 2.157 -7.695 -8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.854 -7.528 -8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.630 -7.455 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.120 -5.197 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.736 -5.416 -10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.274 -3.760 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.543 -4.625 -10.254 1.00 0.00 H new ATOM 675 N ILE A 46 4.306 -6.083 -6.365 1.00 0.00 N ATOM 676 CA ILE A 46 4.947 -6.118 -5.056 1.00 0.00 C ATOM 677 C ILE A 46 3.913 -6.230 -3.941 1.00 0.00 C ATOM 678 O ILE A 46 4.109 -6.963 -2.971 1.00 0.00 O ATOM 679 CB ILE A 46 5.808 -4.864 -4.818 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.857 -4.721 -5.924 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.476 -4.931 -3.453 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.221 -3.285 -6.229 1.00 0.00 C ATOM 0 H ILE A 46 4.526 -5.256 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 46 5.590 -6.998 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 46 5.161 -3.987 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.757 -5.261 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.482 -5.193 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.081 -4.037 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.713 -4.990 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.113 -5.814 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.969 -3.260 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.331 -2.745 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.626 -2.814 -5.333 1.00 0.00 H new ATOM 694 N TRP A 47 2.813 -5.502 -4.086 1.00 0.00 N ATOM 695 CA TRP A 47 1.746 -5.521 -3.091 1.00 0.00 C ATOM 696 C TRP A 47 1.007 -6.854 -3.112 1.00 0.00 C ATOM 697 O TRP A 47 0.630 -7.382 -2.065 1.00 0.00 O ATOM 698 CB TRP A 47 0.765 -4.375 -3.343 1.00 0.00 C ATOM 699 CG TRP A 47 -0.136 -4.098 -2.178 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.489 -4.279 -2.126 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.252 -3.588 -0.898 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.965 -3.912 -0.891 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.918 -3.486 -0.119 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.472 -3.209 -0.332 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.899 -3.020 1.193 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.489 -2.747 0.970 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.310 -2.656 1.721 1.00 0.00 C ATOM 0 H TRP A 47 2.635 -4.891 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 47 2.198 -5.393 -2.107 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.326 -3.472 -3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.156 -4.612 -4.216 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.095 -4.655 -2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.941 -3.951 -0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.386 -3.276 -0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.807 -2.948 1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.427 -2.451 1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.356 -2.291 2.737 1.00 0.00 H new ATOM 718 N ASP A 48 0.802 -7.394 -4.308 1.00 0.00 N ATOM 719 CA ASP A 48 0.108 -8.667 -4.464 1.00 0.00 C ATOM 720 C ASP A 48 0.962 -9.819 -3.942 1.00 0.00 C ATOM 721 O ASP A 48 0.440 -10.839 -3.492 1.00 0.00 O ATOM 722 CB ASP A 48 -0.245 -8.903 -5.933 1.00 0.00 C ATOM 723 CG ASP A 48 -0.293 -10.376 -6.288 1.00 0.00 C ATOM 724 OD1 ASP A 48 -1.294 -11.037 -5.942 1.00 0.00 O ATOM 725 OD2 ASP A 48 0.672 -10.869 -6.910 1.00 0.00 O ATOM 0 H ASP A 48 1.107 -6.970 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.811 -8.626 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.212 -8.449 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.490 -8.404 -6.565 1.00 0.00 H new ATOM 730 N LYS A 49 2.278 -9.649 -4.005 1.00 0.00 N ATOM 731 CA LYS A 49 3.206 -10.673 -3.539 1.00 0.00 C ATOM 732 C LYS A 49 3.311 -10.660 -2.018 1.00 0.00 C ATOM 733 O LYS A 49 3.642 -11.672 -1.399 1.00 0.00 O ATOM 734 CB LYS A 49 4.589 -10.457 -4.158 1.00 0.00 C ATOM 735 CG LYS A 49 4.676 -10.881 -5.614 1.00 0.00 C ATOM 736 CD LYS A 49 5.699 -10.055 -6.375 1.00 0.00 C ATOM 737 CE LYS A 49 7.120 -10.475 -6.035 1.00 0.00 C ATOM 738 NZ LYS A 49 8.080 -10.111 -7.114 1.00 0.00 N ATOM 0 H LYS A 49 2.727 -8.811 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 49 2.823 -11.644 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.853 -9.402 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.327 -11.014 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.944 -11.936 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.698 -10.774 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.533 -10.165 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.564 -9.000 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.425 -10.001 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.151 -11.552 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.037 -10.414 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.804 -10.584 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.070 -9.081 -7.254 1.00 0.00 H new ATOM 752 N LEU A 50 3.025 -9.509 -1.419 1.00 0.00 N ATOM 753 CA LEU A 50 3.086 -9.365 0.031 1.00 0.00 C ATOM 754 C LEU A 50 1.759 -9.754 0.673 1.00 0.00 C ATOM 755 O LEU A 50 1.728 -10.323 1.764 1.00 0.00 O ATOM 756 CB LEU A 50 3.444 -7.925 0.406 1.00 0.00 C ATOM 757 CG LEU A 50 2.947 -7.443 1.769 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.714 -8.127 2.890 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.074 -5.931 1.879 1.00 0.00 C ATOM 0 H LEU A 50 2.749 -8.662 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 50 3.860 -10.035 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.529 -7.823 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.043 -7.261 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 50 1.894 -7.707 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.346 -7.771 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.571 -9.206 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.775 -7.895 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.716 -5.606 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.119 -5.644 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.478 -5.458 1.098 1.00 0.00 H new ATOM 771 N GLY A 51 0.662 -9.445 -0.013 1.00 0.00 N ATOM 772 CA GLY A 51 -0.654 -9.772 0.505 1.00 0.00 C ATOM 773 C GLY A 51 -0.849 -11.264 0.693 1.00 0.00 C ATOM 774 O GLY A 51 -1.416 -11.700 1.694 1.00 0.00 O ATOM 0 H GLY A 51 0.661 -8.974 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.801 -9.266 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.414 -9.392 -0.178 1.00 0.00 H new ATOM 778 N GLU A 52 -0.379 -12.047 -0.274 1.00 0.00 N ATOM 779 CA GLU A 52 -0.508 -13.498 -0.210 1.00 0.00 C ATOM 780 C GLU A 52 0.285 -14.064 0.965 1.00 0.00 C ATOM 781 O GLU A 52 -0.039 -15.128 1.492 1.00 0.00 O ATOM 782 CB GLU A 52 -0.026 -14.132 -1.517 1.00 0.00 C ATOM 783 CG GLU A 52 1.486 -14.169 -1.654 1.00 0.00 C ATOM 784 CD GLU A 52 1.946 -15.030 -2.815 1.00 0.00 C ATOM 785 OE1 GLU A 52 2.097 -16.255 -2.623 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.154 -14.479 -3.916 1.00 0.00 O ATOM 0 H GLU A 52 0.094 -11.701 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.561 -13.738 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.413 -15.149 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.445 -13.577 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.860 -13.154 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.922 -14.549 -0.730 1.00 0.00 H new ATOM 793 N THR A 53 1.326 -13.344 1.370 1.00 0.00 N ATOM 794 CA THR A 53 2.167 -13.773 2.480 1.00 0.00 C ATOM 795 C THR A 53 1.412 -13.697 3.803 1.00 0.00 C ATOM 796 O THR A 53 1.611 -14.526 4.691 1.00 0.00 O ATOM 797 CB THR A 53 3.444 -12.919 2.581 1.00 0.00 C ATOM 798 OG1 THR A 53 4.189 -13.006 1.362 1.00 0.00 O ATOM 799 CG2 THR A 53 4.311 -13.377 3.745 1.00 0.00 C ATOM 0 H THR A 53 1.607 -12.460 0.945 1.00 0.00 H new ATOM 0 HA THR A 53 2.446 -14.808 2.283 1.00 0.00 H new ATOM 0 HB THR A 53 3.149 -11.884 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.768 -12.442 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.207 -12.759 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.751 -13.282 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.596 -14.419 3.598 1.00 0.00 H new ATOM 807 N TYR A 54 0.545 -12.698 3.927 1.00 0.00 N ATOM 808 CA TYR A 54 -0.238 -12.512 5.142 1.00 0.00 C ATOM 809 C TYR A 54 -1.732 -12.624 4.850 1.00 0.00 C ATOM 810 O TYR A 54 -2.551 -11.947 5.471 1.00 0.00 O ATOM 811 CB TYR A 54 0.069 -11.151 5.770 1.00 0.00 C ATOM 812 CG TYR A 54 1.543 -10.916 6.013 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.391 -10.559 4.973 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.086 -11.050 7.285 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.738 -10.344 5.191 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.432 -10.836 7.513 1.00 0.00 C ATOM 817 CZ TYR A 54 4.254 -10.483 6.462 1.00 0.00 C ATOM 818 OH TYR A 54 5.595 -10.268 6.684 1.00 0.00 O ATOM 0 H TYR A 54 0.367 -12.005 3.200 1.00 0.00 H new ATOM 0 HA TYR A 54 0.037 -13.299 5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.313 -10.365 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.465 -11.068 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.990 -10.447 3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.445 -11.326 8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.384 -10.068 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.838 -10.944 8.508 1.00 0.00 H new ATOM 0 HH TYR A 54 5.796 -10.406 7.633 1.00 0.00 H new ATOM 828 N LYS A 55 -2.079 -13.485 3.899 1.00 0.00 N ATOM 829 CA LYS A 55 -3.473 -13.690 3.524 1.00 0.00 C ATOM 830 C LYS A 55 -4.189 -14.565 4.547 1.00 0.00 C ATOM 831 O LYS A 55 -5.387 -14.405 4.784 1.00 0.00 O ATOM 832 CB LYS A 55 -3.559 -14.333 2.138 1.00 0.00 C ATOM 833 CG LYS A 55 -3.240 -15.818 2.135 1.00 0.00 C ATOM 834 CD LYS A 55 -2.890 -16.311 0.741 1.00 0.00 C ATOM 835 CE LYS A 55 -1.912 -17.475 0.791 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.613 -18.784 0.907 1.00 0.00 N ATOM 0 H LYS A 55 -1.414 -14.052 3.374 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.964 -12.717 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.563 -14.185 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.871 -13.821 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.407 -16.013 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.096 -16.376 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.799 -16.620 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.457 -15.495 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.297 -17.471 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.239 -17.347 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.912 -19.552 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.181 -18.798 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.237 -18.918 0.086 1.00 0.00 H new ATOM 850 N ASP A 56 -3.449 -15.487 5.152 1.00 0.00 N ATOM 851 CA ASP A 56 -4.013 -16.385 6.153 1.00 0.00 C ATOM 852 C ASP A 56 -3.370 -16.153 7.516 1.00 0.00 C ATOM 853 O ASP A 56 -3.355 -17.043 8.367 1.00 0.00 O ATOM 854 CB ASP A 56 -3.823 -17.842 5.727 1.00 0.00 C ATOM 855 CG ASP A 56 -4.723 -18.792 6.493 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.820 -18.364 6.908 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.329 -19.962 6.678 1.00 0.00 O ATOM 0 H ASP A 56 -2.457 -15.632 4.967 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.079 -16.174 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.026 -17.935 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.783 -18.129 5.880 1.00 0.00 H new ATOM 862 N HIS A 57 -2.839 -14.951 7.717 1.00 0.00 N ATOM 863 CA HIS A 57 -2.193 -14.601 8.977 1.00 0.00 C ATOM 864 C HIS A 57 -3.198 -14.620 10.126 1.00 0.00 C ATOM 865 O HIS A 57 -4.356 -14.992 9.942 1.00 0.00 O ATOM 866 CB HIS A 57 -1.543 -13.221 8.876 1.00 0.00 C ATOM 867 CG HIS A 57 -0.216 -13.132 9.563 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.072 -12.728 10.874 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.033 -13.401 9.115 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.208 -12.749 11.201 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.899 -13.155 10.152 1.00 0.00 N ATOM 0 H HIS A 57 -2.843 -14.203 7.023 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.421 -15.343 9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.416 -12.964 7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.216 -12.479 9.306 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.299 -13.745 8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.619 -12.480 12.163 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.912 -13.268 10.117 1.00 0.00 H new ATOM 880 N GLU A 58 -2.745 -14.218 11.309 1.00 0.00 N ATOM 881 CA GLU A 58 -3.604 -14.191 12.487 1.00 0.00 C ATOM 882 C GLU A 58 -4.008 -12.761 12.832 1.00 0.00 C ATOM 883 O GLU A 58 -5.162 -12.494 13.166 1.00 0.00 O ATOM 884 CB GLU A 58 -2.893 -14.834 13.679 1.00 0.00 C ATOM 885 CG GLU A 58 -1.473 -14.334 13.883 1.00 0.00 C ATOM 886 CD GLU A 58 -0.496 -14.930 12.889 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.925 -15.759 12.060 1.00 0.00 O ATOM 888 OE2 GLU A 58 0.698 -14.567 12.939 1.00 0.00 O ATOM 0 H GLU A 58 -1.788 -13.907 11.477 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.506 -14.761 12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.471 -14.641 14.583 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.872 -15.915 13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.458 -13.248 13.794 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.149 -14.576 14.895 1.00 0.00 H new ATOM 895 N ASN A 59 -3.049 -11.845 12.751 1.00 0.00 N ATOM 896 CA ASN A 59 -3.304 -10.442 13.056 1.00 0.00 C ATOM 897 C ASN A 59 -2.937 -9.552 11.872 1.00 0.00 C ATOM 898 O ASN A 59 -3.513 -8.480 11.687 1.00 0.00 O ATOM 899 CB ASN A 59 -2.512 -10.015 14.293 1.00 0.00 C ATOM 900 CG ASN A 59 -1.019 -9.957 14.032 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.510 -8.974 13.492 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.310 -11.012 14.416 1.00 0.00 N ATOM 0 H ASN A 59 -2.088 -12.049 12.477 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.369 -10.328 13.257 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.859 -9.036 14.623 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.709 -10.713 15.106 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.699 -11.030 14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.774 -11.804 14.860 1.00 0.00 H new ATOM 909 N ILE A 60 -1.976 -10.005 11.074 1.00 0.00 N ATOM 910 CA ILE A 60 -1.533 -9.251 9.908 1.00 0.00 C ATOM 911 C ILE A 60 -2.432 -9.520 8.706 1.00 0.00 C ATOM 912 O ILE A 60 -2.447 -10.625 8.163 1.00 0.00 O ATOM 913 CB ILE A 60 -0.079 -9.594 9.534 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.843 -9.379 10.736 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.377 -8.751 8.352 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.288 -9.734 10.460 1.00 0.00 C ATOM 0 H ILE A 60 -1.489 -10.890 11.214 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.591 -8.196 10.174 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.031 -10.644 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.786 -8.335 11.045 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.483 -9.979 11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.407 -9.005 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.266 -8.949 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.318 -7.695 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.884 -9.557 11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.357 -10.785 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.665 -9.116 9.645 1.00 0.00 H new ATOM 928 N VAL A 61 -3.181 -8.502 8.294 1.00 0.00 N ATOM 929 CA VAL A 61 -4.081 -8.628 7.154 1.00 0.00 C ATOM 930 C VAL A 61 -3.808 -7.544 6.116 1.00 0.00 C ATOM 931 O VAL A 61 -4.081 -6.366 6.348 1.00 0.00 O ATOM 932 CB VAL A 61 -5.556 -8.544 7.591 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.433 -8.103 6.430 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.023 -9.882 8.145 1.00 0.00 C ATOM 0 H VAL A 61 -3.182 -7.581 8.733 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.896 -9.607 6.711 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.641 -7.799 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.471 -8.050 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.111 -7.121 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.347 -8.822 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.067 -9.805 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.924 -10.649 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.413 -10.152 9.007 1.00 0.00 H new ATOM 944 N ILE A 62 -3.269 -7.951 4.972 1.00 0.00 N ATOM 945 CA ILE A 62 -2.960 -7.016 3.898 1.00 0.00 C ATOM 946 C ILE A 62 -4.211 -6.661 3.101 1.00 0.00 C ATOM 947 O ILE A 62 -5.061 -7.515 2.849 1.00 0.00 O ATOM 948 CB ILE A 62 -1.900 -7.588 2.939 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.608 -7.898 3.699 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.632 -6.614 1.802 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.129 -6.662 4.166 1.00 0.00 C ATOM 0 H ILE A 62 -3.037 -8.923 4.765 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.564 -6.116 4.369 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.280 -8.516 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.844 -8.519 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.050 -8.483 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.880 -7.033 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.554 -6.439 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.269 -5.670 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.034 -6.957 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.396 -6.051 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.512 -6.087 4.834 1.00 0.00 H new ATOM 963 N ALA A 63 -4.316 -5.397 2.706 1.00 0.00 N ATOM 964 CA ALA A 63 -5.461 -4.930 1.935 1.00 0.00 C ATOM 965 C ALA A 63 -5.077 -3.762 1.033 1.00 0.00 C ATOM 966 O ALA A 63 -4.171 -2.991 1.351 1.00 0.00 O ATOM 967 CB ALA A 63 -6.597 -4.529 2.865 1.00 0.00 C ATOM 0 H ALA A 63 -3.622 -4.678 2.907 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.798 -5.750 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.445 -4.182 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.898 -5.389 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.262 -3.728 3.524 1.00 0.00 H new ATOM 973 N LYS A 64 -5.769 -3.638 -0.094 1.00 0.00 N ATOM 974 CA LYS A 64 -5.501 -2.564 -1.043 1.00 0.00 C ATOM 975 C LYS A 64 -6.776 -1.790 -1.363 1.00 0.00 C ATOM 976 O LYS A 64 -7.851 -2.374 -1.496 1.00 0.00 O ATOM 977 CB LYS A 64 -4.900 -3.131 -2.331 1.00 0.00 C ATOM 978 CG LYS A 64 -5.885 -3.940 -3.157 1.00 0.00 C ATOM 979 CD LYS A 64 -5.292 -4.337 -4.499 1.00 0.00 C ATOM 980 CE LYS A 64 -6.301 -5.091 -5.352 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.710 -5.541 -6.643 1.00 0.00 N ATOM 0 H LYS A 64 -6.521 -4.269 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.786 -1.880 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.520 -2.309 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.048 -3.761 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.174 -4.835 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.792 -3.357 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.960 -3.445 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.411 -4.959 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.669 -5.956 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.160 -4.450 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.429 -6.051 -7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.382 -4.714 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.906 -6.173 -6.455 1.00 0.00 H new ATOM 995 N MET A 65 -6.647 -0.472 -1.487 1.00 0.00 N ATOM 996 CA MET A 65 -7.790 0.381 -1.794 1.00 0.00 C ATOM 997 C MET A 65 -7.406 1.460 -2.802 1.00 0.00 C ATOM 998 O MET A 65 -6.273 1.940 -2.810 1.00 0.00 O ATOM 999 CB MET A 65 -8.329 1.027 -0.517 1.00 0.00 C ATOM 1000 CG MET A 65 -9.737 1.581 -0.664 1.00 0.00 C ATOM 1001 SD MET A 65 -10.488 1.999 0.921 1.00 0.00 S ATOM 1002 CE MET A 65 -10.836 3.739 0.683 1.00 0.00 C ATOM 0 H MET A 65 -5.764 0.027 -1.380 1.00 0.00 H new ATOM 0 HA MET A 65 -8.570 -0.241 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.319 0.289 0.285 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.660 1.833 -0.217 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.710 2.470 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.360 0.847 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.963 4.221 1.653 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.007 4.206 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.750 3.851 0.100 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.358 1.837 -3.649 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.120 2.861 -4.660 1.00 0.00 C ATOM 1014 C ASP A 66 -8.600 4.225 -4.176 1.00 0.00 C ATOM 1015 O ASP A 66 -9.801 4.493 -4.137 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.825 2.491 -5.966 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.569 3.501 -7.067 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.987 4.566 -6.772 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -8.951 3.227 -8.225 1.00 0.00 O ATOM 0 H ASP A 66 -9.301 1.449 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.046 2.918 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.486 1.508 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.898 2.416 -5.788 1.00 0.00 H new ATOM 1024 N SER A 67 -7.655 5.083 -3.806 1.00 0.00 N ATOM 1025 CA SER A 67 -7.982 6.418 -3.320 1.00 0.00 C ATOM 1026 C SER A 67 -8.609 7.261 -4.426 1.00 0.00 C ATOM 1027 O SER A 67 -9.354 8.204 -4.159 1.00 0.00 O ATOM 1028 CB SER A 67 -6.727 7.110 -2.784 1.00 0.00 C ATOM 1029 OG SER A 67 -7.050 8.018 -1.745 1.00 0.00 O ATOM 0 H SER A 67 -6.656 4.877 -3.834 1.00 0.00 H new ATOM 0 HA SER A 67 -8.706 6.316 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.026 6.362 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.227 7.642 -3.594 1.00 0.00 H new ATOM 0 HG SER A 67 -7.876 8.495 -1.972 1.00 0.00 H new ATOM 1035 N THR A 68 -8.301 6.915 -5.672 1.00 0.00 N ATOM 1036 CA THR A 68 -8.832 7.638 -6.820 1.00 0.00 C ATOM 1037 C THR A 68 -10.237 7.161 -7.169 1.00 0.00 C ATOM 1038 O THR A 68 -10.966 7.831 -7.901 1.00 0.00 O ATOM 1039 CB THR A 68 -7.925 7.476 -8.055 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.253 6.267 -8.748 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.459 7.453 -7.650 1.00 0.00 C ATOM 0 H THR A 68 -7.686 6.138 -5.912 1.00 0.00 H new ATOM 0 HA THR A 68 -8.868 8.691 -6.541 1.00 0.00 H new ATOM 0 HB THR A 68 -8.090 8.328 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.060 5.497 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.838 7.338 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.205 8.387 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.282 6.618 -6.973 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.611 6.000 -6.641 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.930 5.436 -6.895 1.00 0.00 C ATOM 1051 C ALA A 69 -12.765 5.397 -5.620 1.00 0.00 C ATOM 1052 O ALA A 69 -13.980 5.205 -5.668 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.801 4.040 -7.487 1.00 0.00 C ATOM 0 H ALA A 69 -10.019 5.432 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.441 6.078 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.794 3.630 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.249 4.092 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.267 3.396 -6.788 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.106 5.579 -4.481 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.789 5.564 -3.192 1.00 0.00 C ATOM 1061 C ASN A 70 -12.180 6.591 -2.242 1.00 0.00 C ATOM 1062 O ASN A 70 -10.975 6.582 -1.992 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.715 4.169 -2.569 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.194 3.086 -3.516 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.396 2.908 -3.716 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.254 2.356 -4.105 1.00 0.00 N ATOM 0 H ASN A 70 -11.100 5.739 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.834 5.825 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.687 3.960 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.318 4.147 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.516 1.613 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.270 2.538 -3.910 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.023 7.474 -1.715 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.567 8.507 -0.792 1.00 0.00 C ATOM 1075 C GLU A 71 -13.202 8.326 0.584 1.00 0.00 C ATOM 1076 O GLU A 71 -14.417 8.172 0.704 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.901 9.895 -1.341 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.806 10.484 -2.214 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.347 11.422 -3.275 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -12.745 12.552 -2.923 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -12.373 11.026 -4.460 1.00 0.00 O ATOM 0 H GLU A 71 -14.024 7.495 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.486 8.415 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.823 9.835 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.092 10.570 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.096 11.023 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.256 9.675 -2.695 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.369 8.344 1.620 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.847 8.183 2.988 1.00 0.00 C ATOM 1090 C VAL A 72 -12.283 9.267 3.899 1.00 0.00 C ATOM 1091 O VAL A 72 -11.124 9.660 3.768 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.468 6.802 3.556 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.201 5.698 2.809 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.962 6.594 3.489 1.00 0.00 C ATOM 0 H VAL A 72 -11.360 8.468 1.538 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.933 8.269 2.956 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.771 6.763 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.921 4.730 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.277 5.840 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.932 5.732 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.712 5.614 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.632 6.653 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.462 7.366 4.073 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.111 9.747 4.822 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.693 10.787 5.755 1.00 0.00 C ATOM 1106 C GLU A 73 -11.694 10.238 6.770 1.00 0.00 C ATOM 1107 O GLU A 73 -10.806 10.954 7.231 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.908 11.367 6.483 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.545 10.404 7.470 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.915 10.861 7.930 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.744 11.215 7.067 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.158 10.864 9.155 1.00 0.00 O ATOM 0 H GLU A 73 -14.074 9.433 4.943 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.207 11.578 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.606 12.270 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.654 11.665 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.630 9.420 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.893 10.294 8.337 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.846 8.963 7.112 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.957 8.318 8.070 1.00 0.00 C ATOM 1121 C ALA A 74 -9.504 8.401 7.613 1.00 0.00 C ATOM 1122 O ALA A 74 -8.582 8.320 8.424 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.366 6.867 8.275 1.00 0.00 C ATOM 0 H ALA A 74 -12.577 8.356 6.740 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.042 8.846 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.694 6.397 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.387 6.827 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.311 6.336 7.325 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.308 8.562 6.308 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.967 8.656 5.743 1.00 0.00 C ATOM 1131 C VAL A 75 -7.969 9.473 4.456 1.00 0.00 C ATOM 1132 O VAL A 75 -8.439 9.013 3.416 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.381 7.261 5.452 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.210 7.365 4.487 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -6.960 6.580 6.745 1.00 0.00 C ATOM 0 H VAL A 75 -10.060 8.630 5.623 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.345 9.155 6.486 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.153 6.651 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.809 6.370 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.548 7.809 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.432 7.991 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.548 5.596 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.203 7.184 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.826 6.471 7.397 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.439 10.689 4.533 1.00 0.00 N ATOM 1146 CA LYS A 76 -7.378 11.573 3.375 1.00 0.00 C ATOM 1147 C LYS A 76 -6.013 11.488 2.699 1.00 0.00 C ATOM 1148 O LYS A 76 -5.011 11.959 3.238 1.00 0.00 O ATOM 1149 CB LYS A 76 -7.663 13.017 3.793 1.00 0.00 C ATOM 1150 CG LYS A 76 -9.139 13.373 3.782 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.669 13.512 2.364 1.00 0.00 C ATOM 1152 CE LYS A 76 -11.153 13.188 2.289 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.806 13.847 1.125 1.00 0.00 N ATOM 0 H LYS A 76 -7.045 11.085 5.386 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.138 11.252 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.266 13.182 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.130 13.692 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.704 12.604 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.293 14.307 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.499 14.528 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.116 12.846 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.286 12.109 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.642 13.509 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.816 13.602 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.702 14.879 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.357 13.522 0.245 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.981 10.886 1.514 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.740 10.743 0.762 1.00 0.00 C ATOM 1169 C VAL A 77 -4.668 11.752 -0.378 1.00 0.00 C ATOM 1170 O VAL A 77 -5.641 11.953 -1.106 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.594 9.322 0.186 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.193 9.112 -0.368 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.918 8.281 1.247 1.00 0.00 C ATOM 0 H VAL A 77 -6.801 10.489 1.054 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.924 10.930 1.460 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.304 9.206 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.108 8.103 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.003 9.836 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.462 9.247 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.810 7.283 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.234 8.394 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.943 8.419 1.592 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.509 12.385 -0.529 1.00 0.00 N ATOM 1184 CA HIS A 78 -3.309 13.373 -1.583 1.00 0.00 C ATOM 1185 C HIS A 78 -2.215 12.926 -2.547 1.00 0.00 C ATOM 1186 O HIS A 78 -2.154 13.383 -3.689 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.948 14.730 -0.977 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.760 15.082 0.230 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.876 14.466 1.430 1.00 0.00 N flip ATOM 1190 CD2 HIS A 78 -4.582 16.188 0.289 1.00 0.00 C flip ATOM 1191 CE1 HIS A 78 -4.755 15.204 2.184 1.00 0.00 C flip ATOM 1192 NE2 HIS A 78 -5.166 16.238 1.472 1.00 0.00 N flip ATOM 0 H HIS A 78 -2.694 12.231 0.065 1.00 0.00 H new ATOM 0 HA HIS A 78 -4.242 13.468 -2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.892 14.728 -0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.082 15.504 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.726 16.902 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.061 14.976 3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.823 16.953 1.783 1.00 0.00 H new ATOM 1201 N SER A 79 -1.351 12.029 -2.080 1.00 0.00 N ATOM 1202 CA SER A 79 -0.256 11.524 -2.900 1.00 0.00 C ATOM 1203 C SER A 79 -0.370 10.014 -3.086 1.00 0.00 C ATOM 1204 O SER A 79 -1.162 9.351 -2.416 1.00 0.00 O ATOM 1205 CB SER A 79 1.089 11.870 -2.260 1.00 0.00 C ATOM 1206 OG SER A 79 1.166 11.375 -0.934 1.00 0.00 O ATOM 0 H SER A 79 -1.389 11.638 -1.139 1.00 0.00 H new ATOM 0 HA SER A 79 -0.317 11.999 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.898 11.448 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.226 12.951 -2.256 1.00 0.00 H new ATOM 0 HG SER A 79 2.036 11.608 -0.548 1.00 0.00 H new ATOM 1212 N PHE A 80 0.428 9.475 -4.003 1.00 0.00 N ATOM 1213 CA PHE A 80 0.417 8.044 -4.280 1.00 0.00 C ATOM 1214 C PHE A 80 1.692 7.620 -5.003 1.00 0.00 C ATOM 1215 O PHE A 80 2.310 8.397 -5.732 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.807 7.674 -5.120 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.069 8.355 -4.673 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.816 7.839 -3.626 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.509 9.509 -5.299 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.977 8.462 -3.211 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.669 10.138 -4.889 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.405 9.613 -3.844 1.00 0.00 C ATOM 0 H PHE A 80 1.090 10.008 -4.566 1.00 0.00 H new ATOM 0 HA PHE A 80 0.368 7.516 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.614 7.931 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.952 6.594 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.486 6.939 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.939 9.922 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.549 8.050 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.000 11.039 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.313 10.101 -3.523 1.00 0.00 H new ATOM 1232 N PRO A 81 2.097 6.358 -4.798 1.00 0.00 N ATOM 1233 CA PRO A 81 1.370 5.424 -3.933 1.00 0.00 C ATOM 1234 C PRO A 81 1.473 5.801 -2.459 1.00 0.00 C ATOM 1235 O PRO A 81 2.477 6.362 -2.019 1.00 0.00 O ATOM 1236 CB PRO A 81 2.065 4.086 -4.193 1.00 0.00 C ATOM 1237 CG PRO A 81 3.437 4.452 -4.642 1.00 0.00 C ATOM 1238 CD PRO A 81 3.295 5.745 -5.395 1.00 0.00 C ATOM 0 HA PRO A 81 0.302 5.414 -4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.094 3.473 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.540 3.509 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.108 4.568 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.860 3.674 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.173 6.379 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.169 5.575 -6.464 1.00 0.00 H new ATOM 1246 N THR A 82 0.428 5.488 -1.698 1.00 0.00 N ATOM 1247 CA THR A 82 0.401 5.794 -0.274 1.00 0.00 C ATOM 1248 C THR A 82 0.090 4.549 0.550 1.00 0.00 C ATOM 1249 O THR A 82 -0.786 3.760 0.194 1.00 0.00 O ATOM 1250 CB THR A 82 -0.642 6.882 0.047 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.214 8.142 -0.481 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.853 7.001 1.549 1.00 0.00 C ATOM 0 H THR A 82 -0.411 5.023 -2.045 1.00 0.00 H new ATOM 0 HA THR A 82 1.393 6.162 -0.011 1.00 0.00 H new ATOM 0 HB THR A 82 -1.587 6.597 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.594 8.268 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.593 7.775 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.206 6.048 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.089 7.265 2.029 1.00 0.00 H new ATOM 1260 N LEU A 83 0.812 4.380 1.652 1.00 0.00 N ATOM 1261 CA LEU A 83 0.613 3.230 2.528 1.00 0.00 C ATOM 1262 C LEU A 83 0.319 3.678 3.956 1.00 0.00 C ATOM 1263 O LEU A 83 0.903 4.645 4.447 1.00 0.00 O ATOM 1264 CB LEU A 83 1.848 2.328 2.508 1.00 0.00 C ATOM 1265 CG LEU A 83 2.479 2.084 1.136 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.828 1.397 1.283 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.549 1.255 0.262 1.00 0.00 C ATOM 0 H LEU A 83 1.540 5.024 1.960 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.245 2.668 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.604 2.766 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.576 1.364 2.937 1.00 0.00 H new ATOM 0 HG LEU A 83 2.636 3.048 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.262 1.232 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.495 2.027 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.696 0.439 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.014 1.091 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.360 0.294 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.606 1.785 0.129 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.587 2.968 4.619 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.956 3.289 5.992 1.00 0.00 C ATOM 1281 C LYS A 84 -1.189 2.019 6.804 1.00 0.00 C ATOM 1282 O LYS A 84 -1.993 1.167 6.426 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.215 4.158 6.014 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.115 5.396 5.139 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.900 6.558 5.725 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.691 7.833 4.922 1.00 0.00 C ATOM 1287 NZ LYS A 84 -3.087 9.044 5.692 1.00 0.00 N ATOM 0 H LYS A 84 -1.080 2.166 4.227 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.132 3.842 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.065 3.560 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.417 4.464 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.069 5.681 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.490 5.169 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.961 6.309 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.592 6.722 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.643 7.913 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.272 7.782 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.273 9.828 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.947 8.841 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.318 9.310 6.340 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.481 1.899 7.922 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.611 0.732 8.788 1.00 0.00 C ATOM 1303 C PHE A 85 -1.645 0.980 9.883 1.00 0.00 C ATOM 1304 O PHE A 85 -1.532 1.933 10.654 1.00 0.00 O ATOM 1305 CB PHE A 85 0.740 0.384 9.416 1.00 0.00 C ATOM 1306 CG PHE A 85 0.663 -0.723 10.429 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.715 -2.049 10.031 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.538 -0.437 11.779 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.643 -3.069 10.961 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.466 -1.452 12.713 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.520 -2.770 12.304 1.00 0.00 C ATOM 0 H PHE A 85 0.189 2.595 8.250 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.947 -0.107 8.178 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.435 0.096 8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.150 1.274 9.893 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.813 -2.288 8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.496 0.592 12.105 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.683 -4.099 10.638 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.368 -1.215 13.762 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.466 -3.565 13.033 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.652 0.116 9.944 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.707 0.241 10.942 1.00 0.00 C ATOM 1323 C PHE A 86 -3.496 -0.750 12.084 1.00 0.00 C ATOM 1324 O PHE A 86 -3.779 -1.942 11.965 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.077 0.011 10.300 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.358 0.929 9.144 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.566 2.043 8.919 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.414 0.677 8.284 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.822 2.889 7.856 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.675 1.519 7.219 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.878 2.627 7.005 1.00 0.00 C ATOM 0 H PHE A 86 -2.760 -0.679 9.314 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.669 1.252 11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.140 -1.022 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.851 0.144 11.056 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.739 2.253 9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.041 -0.187 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.197 3.754 7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.501 1.311 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.080 3.287 6.174 1.00 0.00 H new ATOM 1341 N PRO A 87 -2.986 -0.245 13.217 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.726 -1.068 14.402 1.00 0.00 C ATOM 1343 C PRO A 87 -4.010 -1.540 15.075 1.00 0.00 C ATOM 1344 O PRO A 87 -5.050 -0.890 14.972 1.00 0.00 O ATOM 1345 CB PRO A 87 -1.954 -0.123 15.327 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.377 1.244 14.911 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.626 1.167 13.430 1.00 0.00 C ATOM 0 HA PRO A 87 -2.185 -1.981 14.153 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.194 -0.310 16.374 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.877 -0.255 15.218 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.277 1.553 15.443 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.604 1.978 15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.429 1.837 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.741 1.447 12.859 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.930 -2.674 15.762 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.086 -3.232 16.453 1.00 0.00 C ATOM 1357 C ALA A 88 -5.589 -2.282 17.536 1.00 0.00 C ATOM 1358 O ALA A 88 -5.292 -2.459 18.717 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.739 -4.585 17.056 1.00 0.00 C ATOM 0 H ALA A 88 -3.077 -3.225 15.855 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.884 -3.366 15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.612 -4.989 17.569 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.434 -5.269 16.264 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.922 -4.467 17.768 1.00 0.00 H new ATOM 1365 N SER A 89 -6.352 -1.275 17.124 1.00 0.00 N ATOM 1366 CA SER A 89 -6.893 -0.294 18.059 1.00 0.00 C ATOM 1367 C SER A 89 -8.338 0.049 17.711 1.00 0.00 C ATOM 1368 O SER A 89 -8.722 0.051 16.542 1.00 0.00 O ATOM 1369 CB SER A 89 -6.039 0.975 18.050 1.00 0.00 C ATOM 1370 OG SER A 89 -6.065 1.616 19.313 1.00 0.00 O ATOM 0 H SER A 89 -6.610 -1.116 16.150 1.00 0.00 H new ATOM 0 HA SER A 89 -6.872 -0.730 19.058 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.011 0.724 17.787 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.406 1.658 17.284 1.00 0.00 H new ATOM 0 HG SER A 89 -5.510 2.423 19.282 1.00 0.00 H new ATOM 1376 N ALA A 90 -9.134 0.339 18.735 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.536 0.686 18.538 1.00 0.00 C ATOM 1378 C ALA A 90 -10.727 2.199 18.500 1.00 0.00 C ATOM 1379 O ALA A 90 -11.803 2.706 18.815 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.390 0.072 19.637 1.00 0.00 C ATOM 0 H ALA A 90 -8.832 0.340 19.709 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.854 0.282 17.577 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.435 0.339 19.478 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.285 -1.013 19.616 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.063 0.449 20.606 1.00 0.00 H new ATOM 1386 N ASP A 91 -9.676 2.913 18.113 1.00 0.00 N ATOM 1387 CA ASP A 91 -9.729 4.369 18.033 1.00 0.00 C ATOM 1388 C ASP A 91 -9.315 4.852 16.647 1.00 0.00 C ATOM 1389 O ASP A 91 -8.622 5.861 16.512 1.00 0.00 O ATOM 1390 CB ASP A 91 -8.822 4.992 19.096 1.00 0.00 C ATOM 1391 CG ASP A 91 -9.020 6.490 19.220 1.00 0.00 C ATOM 1392 OD1 ASP A 91 -10.183 6.942 19.161 1.00 0.00 O ATOM 1393 OD2 ASP A 91 -8.012 7.210 19.376 1.00 0.00 O ATOM 0 H ASP A 91 -8.777 2.508 17.850 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.757 4.682 18.215 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.019 4.521 20.059 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.781 4.785 18.848 1.00 0.00 H new ATOM 1398 N ARG A 92 -9.743 4.126 15.620 1.00 0.00 N ATOM 1399 CA ARG A 92 -9.415 4.479 14.244 1.00 0.00 C ATOM 1400 C ARG A 92 -8.009 5.066 14.154 1.00 0.00 C ATOM 1401 O ARG A 92 -7.816 6.167 13.637 1.00 0.00 O ATOM 1402 CB ARG A 92 -10.434 5.481 13.696 1.00 0.00 C ATOM 1403 CG ARG A 92 -10.248 5.791 12.220 1.00 0.00 C ATOM 1404 CD ARG A 92 -10.732 7.192 11.880 1.00 0.00 C ATOM 1405 NE ARG A 92 -12.190 7.272 11.837 1.00 0.00 N ATOM 1406 CZ ARG A 92 -12.864 8.416 11.850 1.00 0.00 C ATOM 1407 NH1 ARG A 92 -12.215 9.571 11.905 1.00 0.00 N ATOM 1408 NH2 ARG A 92 -14.190 8.407 11.808 1.00 0.00 N ATOM 0 H ARG A 92 -10.318 3.289 15.715 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.450 3.570 13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.438 5.088 13.852 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.362 6.408 14.265 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.195 5.695 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.794 5.061 11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.352 7.896 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.324 7.492 10.915 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.719 6.401 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.196 9.582 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.735 10.448 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.693 7.521 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.707 9.286 11.818 1.00 0.00 H new ATOM 1422 N THR A 93 -7.030 4.324 14.661 1.00 0.00 N ATOM 1423 CA THR A 93 -5.643 4.770 14.639 1.00 0.00 C ATOM 1424 C THR A 93 -4.975 4.427 13.313 1.00 0.00 C ATOM 1425 O THR A 93 -5.179 3.343 12.766 1.00 0.00 O ATOM 1426 CB THR A 93 -4.832 4.140 15.787 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.467 4.411 17.042 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.410 4.681 15.806 1.00 0.00 C ATOM 0 H THR A 93 -7.172 3.411 15.092 1.00 0.00 H new ATOM 0 HA THR A 93 -5.658 5.853 14.765 1.00 0.00 H new ATOM 0 HB THR A 93 -4.792 3.063 15.625 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.946 4.006 17.766 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.857 4.222 16.625 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.919 4.448 14.861 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.434 5.762 15.945 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.175 5.356 12.800 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.476 5.151 11.537 1.00 0.00 C ATOM 1438 C VAL A 94 -2.002 5.520 11.660 1.00 0.00 C ATOM 1439 O VAL A 94 -1.653 6.535 12.263 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.108 5.980 10.403 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.187 6.021 9.194 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.470 5.416 10.028 1.00 0.00 C ATOM 0 H VAL A 94 -3.995 6.258 13.240 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.565 4.092 11.295 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.248 7.001 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.651 6.611 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.237 6.475 9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.013 5.007 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.903 6.013 9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.357 4.385 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.128 5.445 10.897 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.140 4.689 11.083 1.00 0.00 N ATOM 1453 CA ILE A 95 0.297 4.929 11.126 1.00 0.00 C ATOM 1454 C ILE A 95 0.865 5.122 9.724 1.00 0.00 C ATOM 1455 O ILE A 95 0.445 4.458 8.776 1.00 0.00 O ATOM 1456 CB ILE A 95 1.041 3.768 11.813 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.587 3.633 13.268 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.545 3.986 11.740 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.095 2.379 13.946 1.00 0.00 C ATOM 0 H ILE A 95 -1.412 3.844 10.581 1.00 0.00 H new ATOM 0 HA ILE A 95 0.447 5.840 11.705 1.00 0.00 H new ATOM 0 HB ILE A 95 0.802 2.842 11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.928 4.503 13.829 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.502 3.639 13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.057 3.158 12.230 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.855 4.038 10.696 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.802 4.919 12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.734 2.350 14.974 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.732 1.503 13.409 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.185 2.380 13.944 1.00 0.00 H new ATOM 1471 N ASP A 96 1.823 6.034 9.600 1.00 0.00 N ATOM 1472 CA ASP A 96 2.451 6.313 8.314 1.00 0.00 C ATOM 1473 C ASP A 96 3.626 5.372 8.068 1.00 0.00 C ATOM 1474 O ASP A 96 4.546 5.285 8.881 1.00 0.00 O ATOM 1475 CB ASP A 96 2.925 7.766 8.259 1.00 0.00 C ATOM 1476 CG ASP A 96 1.777 8.745 8.110 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.789 8.401 7.428 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.866 9.854 8.676 1.00 0.00 O ATOM 0 H ASP A 96 2.182 6.593 10.374 1.00 0.00 H new ATOM 0 HA ASP A 96 1.709 6.151 7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.481 7.998 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.614 7.889 7.423 1.00 0.00 H new ATOM 1483 N TYR A 97 3.588 4.669 6.942 1.00 0.00 N ATOM 1484 CA TYR A 97 4.647 3.731 6.590 1.00 0.00 C ATOM 1485 C TYR A 97 5.838 4.460 5.976 1.00 0.00 C ATOM 1486 O TYR A 97 5.752 4.993 4.870 1.00 0.00 O ATOM 1487 CB TYR A 97 4.122 2.678 5.613 1.00 0.00 C ATOM 1488 CG TYR A 97 5.161 1.659 5.203 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.427 0.551 5.997 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.877 1.805 4.021 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.377 -0.382 5.627 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.827 0.877 3.642 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.074 -0.214 4.448 1.00 0.00 C ATOM 1494 OH TYR A 97 8.019 -1.142 4.075 1.00 0.00 O ATOM 0 H TYR A 97 2.835 4.731 6.257 1.00 0.00 H new ATOM 0 HA TYR A 97 4.977 3.237 7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.278 2.160 6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.745 3.178 4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.882 0.416 6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.687 2.659 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.573 -1.237 6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.373 1.005 2.719 1.00 0.00 H new ATOM 0 HH TYR A 97 7.594 -1.844 3.539 1.00 0.00 H new ATOM 1504 N ASN A 98 6.951 4.479 6.703 1.00 0.00 N ATOM 1505 CA ASN A 98 8.161 5.143 6.231 1.00 0.00 C ATOM 1506 C ASN A 98 9.308 4.146 6.089 1.00 0.00 C ATOM 1507 O ASN A 98 10.402 4.366 6.605 1.00 0.00 O ATOM 1508 CB ASN A 98 8.561 6.264 7.192 1.00 0.00 C ATOM 1509 CG ASN A 98 7.372 7.088 7.646 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.086 7.181 8.840 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.672 7.691 6.692 1.00 0.00 N ATOM 0 H ASN A 98 7.040 4.042 7.621 1.00 0.00 H new ATOM 0 HA ASN A 98 7.952 5.572 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.055 5.833 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.286 6.915 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.861 8.259 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.946 7.586 5.715 1.00 0.00 H new ATOM 1518 N GLY A 99 9.048 3.049 5.384 1.00 0.00 N ATOM 1519 CA GLY A 99 10.067 2.036 5.186 1.00 0.00 C ATOM 1520 C GLY A 99 10.722 2.131 3.822 1.00 0.00 C ATOM 1521 O GLY A 99 10.945 3.227 3.309 1.00 0.00 O ATOM 0 H GLY A 99 8.150 2.844 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.829 2.136 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.621 1.048 5.303 1.00 0.00 H new ATOM 1525 N GLU A 100 11.033 0.980 3.235 1.00 0.00 N ATOM 1526 CA GLU A 100 11.669 0.940 1.923 1.00 0.00 C ATOM 1527 C GLU A 100 10.636 0.713 0.824 1.00 0.00 C ATOM 1528 O GLU A 100 10.958 0.755 -0.364 1.00 0.00 O ATOM 1529 CB GLU A 100 12.728 -0.165 1.879 1.00 0.00 C ATOM 1530 CG GLU A 100 12.345 -1.407 2.666 1.00 0.00 C ATOM 1531 CD GLU A 100 12.827 -1.358 4.103 1.00 0.00 C ATOM 1532 OE1 GLU A 100 12.101 -0.804 4.955 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.931 -1.875 4.375 1.00 0.00 O ATOM 0 H GLU A 100 10.855 0.064 3.646 1.00 0.00 H new ATOM 0 HA GLU A 100 12.151 1.903 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.907 -0.444 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.667 0.227 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.261 -1.520 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.763 -2.286 2.176 1.00 0.00 H new ATOM 1540 N ARG A 101 9.393 0.473 1.229 1.00 0.00 N ATOM 1541 CA ARG A 101 8.312 0.238 0.279 1.00 0.00 C ATOM 1542 C ARG A 101 8.621 -0.963 -0.610 1.00 0.00 C ATOM 1543 O ARG A 101 8.395 -0.929 -1.820 1.00 0.00 O ATOM 1544 CB ARG A 101 8.084 1.480 -0.585 1.00 0.00 C ATOM 1545 CG ARG A 101 6.659 1.614 -1.095 1.00 0.00 C ATOM 1546 CD ARG A 101 6.586 2.521 -2.313 1.00 0.00 C ATOM 1547 NE ARG A 101 6.682 3.933 -1.951 1.00 0.00 N ATOM 1548 CZ ARG A 101 5.731 4.590 -1.296 1.00 0.00 C ATOM 1549 NH1 ARG A 101 4.618 3.965 -0.935 1.00 0.00 N ATOM 1550 NH2 ARG A 101 5.891 5.873 -1.002 1.00 0.00 N ATOM 0 H ARG A 101 9.110 0.436 2.208 1.00 0.00 H new ATOM 0 HA ARG A 101 7.405 0.026 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.338 2.367 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.764 1.450 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.269 0.629 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.024 2.014 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.392 2.268 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.648 2.345 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 101 7.525 4.442 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.491 2.978 -1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.889 4.471 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.745 6.357 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.160 6.376 -0.499 1.00 0.00 H new ATOM 1564 N THR A 102 9.140 -2.025 -0.002 1.00 0.00 N ATOM 1565 CA THR A 102 9.482 -3.236 -0.738 1.00 0.00 C ATOM 1566 C THR A 102 8.785 -4.455 -0.145 1.00 0.00 C ATOM 1567 O THR A 102 8.277 -4.408 0.977 1.00 0.00 O ATOM 1568 CB THR A 102 11.003 -3.480 -0.742 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.469 -3.693 0.595 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.739 -2.300 -1.359 1.00 0.00 C ATOM 0 H THR A 102 9.333 -2.071 0.999 1.00 0.00 H new ATOM 0 HA THR A 102 9.142 -3.089 -1.763 1.00 0.00 H new ATOM 0 HB THR A 102 11.204 -4.367 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.436 -3.849 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.811 -2.495 -1.351 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.404 -2.159 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.530 -1.399 -0.782 1.00 0.00 H new ATOM 1578 N LEU A 103 8.765 -5.546 -0.902 1.00 0.00 N ATOM 1579 CA LEU A 103 8.130 -6.779 -0.451 1.00 0.00 C ATOM 1580 C LEU A 103 8.727 -7.246 0.873 1.00 0.00 C ATOM 1581 O LEU A 103 8.003 -7.518 1.831 1.00 0.00 O ATOM 1582 CB LEU A 103 8.287 -7.873 -1.508 1.00 0.00 C ATOM 1583 CG LEU A 103 7.729 -9.248 -1.139 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.240 -9.158 -0.844 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.994 -10.249 -2.255 1.00 0.00 C ATOM 0 H LEU A 103 9.181 -5.602 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 103 7.069 -6.578 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.799 -7.539 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.348 -7.982 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 103 8.237 -9.595 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.860 -10.146 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.075 -8.474 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.716 -8.789 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.590 -11.222 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.514 -9.907 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.068 -10.336 -2.418 1.00 0.00 H new ATOM 1597 N ASP A 104 10.052 -7.334 0.920 1.00 0.00 N ATOM 1598 CA ASP A 104 10.747 -7.765 2.127 1.00 0.00 C ATOM 1599 C ASP A 104 10.727 -6.667 3.186 1.00 0.00 C ATOM 1600 O ASP A 104 10.757 -6.946 4.384 1.00 0.00 O ATOM 1601 CB ASP A 104 12.191 -8.149 1.800 1.00 0.00 C ATOM 1602 CG ASP A 104 12.310 -9.571 1.288 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.920 -10.501 2.024 1.00 0.00 O ATOM 1604 OD2 ASP A 104 12.795 -9.754 0.152 1.00 0.00 O ATOM 0 H ASP A 104 10.666 -7.113 0.136 1.00 0.00 H new ATOM 0 HA ASP A 104 10.228 -8.638 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.586 -7.462 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.805 -8.035 2.693 1.00 0.00 H new ATOM 1609 N GLY A 105 10.678 -5.417 2.736 1.00 0.00 N ATOM 1610 CA GLY A 105 10.656 -4.297 3.657 1.00 0.00 C ATOM 1611 C GLY A 105 9.355 -4.207 4.430 1.00 0.00 C ATOM 1612 O GLY A 105 9.344 -3.820 5.599 1.00 0.00 O ATOM 0 H GLY A 105 10.653 -5.160 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.486 -4.391 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.810 -3.371 3.102 1.00 0.00 H new ATOM 1616 N PHE A 106 8.255 -4.563 3.776 1.00 0.00 N ATOM 1617 CA PHE A 106 6.941 -4.519 4.409 1.00 0.00 C ATOM 1618 C PHE A 106 6.874 -5.481 5.591 1.00 0.00 C ATOM 1619 O PHE A 106 6.396 -5.127 6.669 1.00 0.00 O ATOM 1620 CB PHE A 106 5.850 -4.863 3.393 1.00 0.00 C ATOM 1621 CG PHE A 106 5.672 -3.820 2.328 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.511 -2.486 2.666 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.665 -4.172 0.988 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.346 -1.523 1.688 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.501 -3.214 0.005 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.342 -1.888 0.356 1.00 0.00 C ATOM 0 H PHE A 106 8.246 -4.885 2.808 1.00 0.00 H new ATOM 0 HA PHE A 106 6.777 -3.507 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.092 -5.815 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.905 -4.999 3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.514 -2.195 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.789 -5.208 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.220 -0.487 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.497 -3.502 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.215 -1.137 -0.410 1.00 0.00 H new ATOM 1636 N LYS A 107 7.355 -6.702 5.380 1.00 0.00 N ATOM 1637 CA LYS A 107 7.351 -7.717 6.426 1.00 0.00 C ATOM 1638 C LYS A 107 8.059 -7.211 7.679 1.00 0.00 C ATOM 1639 O LYS A 107 7.621 -7.469 8.800 1.00 0.00 O ATOM 1640 CB LYS A 107 8.028 -8.996 5.927 1.00 0.00 C ATOM 1641 CG LYS A 107 7.603 -9.402 4.527 1.00 0.00 C ATOM 1642 CD LYS A 107 7.751 -10.899 4.311 1.00 0.00 C ATOM 1643 CE LYS A 107 8.037 -11.226 2.853 1.00 0.00 C ATOM 1644 NZ LYS A 107 6.785 -11.463 2.082 1.00 0.00 N ATOM 0 H LYS A 107 7.753 -7.012 4.493 1.00 0.00 H new ATOM 0 HA LYS A 107 6.314 -7.937 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.109 -8.855 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.802 -9.809 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.566 -9.111 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.205 -8.866 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.559 -11.280 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.839 -11.405 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.593 -10.406 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.671 -12.111 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.924 -11.168 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.546 -12.475 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.009 -10.912 2.502 1.00 0.00 H new ATOM 1658 N LYS A 108 9.156 -6.487 7.481 1.00 0.00 N ATOM 1659 CA LYS A 108 9.924 -5.941 8.594 1.00 0.00 C ATOM 1660 C LYS A 108 9.067 -5.004 9.438 1.00 0.00 C ATOM 1661 O LYS A 108 9.043 -5.104 10.665 1.00 0.00 O ATOM 1662 CB LYS A 108 11.155 -5.195 8.074 1.00 0.00 C ATOM 1663 CG LYS A 108 11.939 -5.970 7.029 1.00 0.00 C ATOM 1664 CD LYS A 108 13.417 -5.620 7.069 1.00 0.00 C ATOM 1665 CE LYS A 108 14.096 -6.208 8.297 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.571 -6.001 8.268 1.00 0.00 N ATOM 0 H LYS A 108 9.533 -6.265 6.560 1.00 0.00 H new ATOM 0 HA LYS A 108 10.249 -6.771 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.839 -4.243 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.812 -4.966 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.813 -7.040 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.539 -5.754 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.905 -5.993 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.536 -4.536 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.683 -5.749 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.880 -7.275 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.997 -6.416 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.969 -6.460 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.778 -4.982 8.238 1.00 0.00 H new ATOM 1680 N PHE A 109 8.364 -4.093 8.774 1.00 0.00 N ATOM 1681 CA PHE A 109 7.505 -3.137 9.463 1.00 0.00 C ATOM 1682 C PHE A 109 6.340 -3.848 10.146 1.00 0.00 C ATOM 1683 O PHE A 109 5.989 -3.536 11.285 1.00 0.00 O ATOM 1684 CB PHE A 109 6.974 -2.093 8.479 1.00 0.00 C ATOM 1685 CG PHE A 109 6.178 -1.001 9.134 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.802 0.142 9.605 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.805 -1.118 9.279 1.00 0.00 C ATOM 1688 CE1 PHE A 109 6.072 1.148 10.210 1.00 0.00 C ATOM 1689 CE2 PHE A 109 4.069 -0.116 9.882 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.703 1.019 10.347 1.00 0.00 C ATOM 0 H PHE A 109 8.372 -3.996 7.759 1.00 0.00 H new ATOM 0 HA PHE A 109 8.100 -2.636 10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.814 -1.649 7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.351 -2.590 7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.871 0.249 9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.304 -2.003 8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.571 2.034 10.575 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.999 -0.220 9.989 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.130 1.805 10.817 1.00 0.00 H new ATOM 1700 N LEU A 110 5.743 -4.803 9.442 1.00 0.00 N ATOM 1701 CA LEU A 110 4.616 -5.558 9.978 1.00 0.00 C ATOM 1702 C LEU A 110 5.048 -6.411 11.166 1.00 0.00 C ATOM 1703 O LEU A 110 4.581 -6.213 12.287 1.00 0.00 O ATOM 1704 CB LEU A 110 4.008 -6.447 8.891 1.00 0.00 C ATOM 1705 CG LEU A 110 3.412 -5.720 7.685 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.288 -6.665 6.501 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.058 -5.122 8.038 1.00 0.00 C ATOM 0 H LEU A 110 6.021 -5.073 8.498 1.00 0.00 H new ATOM 0 HA LEU A 110 3.864 -4.847 10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.780 -7.129 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.227 -7.058 9.344 1.00 0.00 H new ATOM 0 HG LEU A 110 4.083 -4.908 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.862 -6.130 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.274 -7.044 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.639 -7.499 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.649 -4.609 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.378 -5.917 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.176 -4.411 8.856 1.00 0.00 H new ATOM 1719 N GLU A 111 5.945 -7.360 10.912 1.00 0.00 N ATOM 1720 CA GLU A 111 6.441 -8.242 11.961 1.00 0.00 C ATOM 1721 C GLU A 111 6.626 -7.480 13.271 1.00 0.00 C ATOM 1722 O GLU A 111 6.333 -7.997 14.349 1.00 0.00 O ATOM 1723 CB GLU A 111 7.766 -8.879 11.538 1.00 0.00 C ATOM 1724 CG GLU A 111 7.606 -10.004 10.529 1.00 0.00 C ATOM 1725 CD GLU A 111 8.697 -11.051 10.644 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.655 -11.849 11.604 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.592 -11.072 9.774 1.00 0.00 O ATOM 0 H GLU A 111 6.342 -7.537 9.989 1.00 0.00 H new ATOM 0 HA GLU A 111 5.702 -9.028 12.119 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.410 -8.109 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.273 -9.265 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.635 -10.479 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.612 -9.587 9.522 1.00 0.00 H new ATOM 1734 N SER A 112 7.113 -6.248 13.168 1.00 0.00 N ATOM 1735 CA SER A 112 7.341 -5.415 14.343 1.00 0.00 C ATOM 1736 C SER A 112 6.022 -5.060 15.021 1.00 0.00 C ATOM 1737 O SER A 112 5.904 -5.121 16.244 1.00 0.00 O ATOM 1738 CB SER A 112 8.087 -4.138 13.952 1.00 0.00 C ATOM 1739 OG SER A 112 9.398 -4.431 13.499 1.00 0.00 O ATOM 0 H SER A 112 7.357 -5.804 12.283 1.00 0.00 H new ATOM 0 HA SER A 112 7.950 -5.982 15.047 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.536 -3.617 13.169 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.137 -3.465 14.808 1.00 0.00 H new ATOM 0 HG SER A 112 9.368 -4.686 12.553 1.00 0.00 H new ATOM 1745 N GLY A 113 5.031 -4.688 14.216 1.00 0.00 N ATOM 1746 CA GLY A 113 3.733 -4.328 14.756 1.00 0.00 C ATOM 1747 C GLY A 113 3.415 -2.857 14.568 1.00 0.00 C ATOM 1748 O GLY A 113 2.720 -2.256 15.386 1.00 0.00 O ATOM 0 H GLY A 113 5.104 -4.630 13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.962 -4.928 14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.705 -4.570 15.818 1.00 0.00 H new ATOM 1752 N GLY A 114 3.926 -2.276 13.487 1.00 0.00 N ATOM 1753 CA GLY A 114 3.683 -0.871 13.215 1.00 0.00 C ATOM 1754 C GLY A 114 4.571 0.041 14.038 1.00 0.00 C ATOM 1755 O GLY A 114 4.094 0.999 14.645 1.00 0.00 O ATOM 0 H GLY A 114 4.504 -2.753 12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.849 -0.675 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.638 -0.639 13.422 1.00 0.00 H new ATOM 1759 N GLN A 115 5.866 -0.259 14.059 1.00 0.00 N ATOM 1760 CA GLN A 115 6.822 0.541 14.815 1.00 0.00 C ATOM 1761 C GLN A 115 7.530 1.544 13.910 1.00 0.00 C ATOM 1762 O GLN A 115 8.511 1.210 13.246 1.00 0.00 O ATOM 1763 CB GLN A 115 7.850 -0.365 15.496 1.00 0.00 C ATOM 1764 CG GLN A 115 7.235 -1.368 16.458 1.00 0.00 C ATOM 1765 CD GLN A 115 8.226 -1.871 17.489 1.00 0.00 C ATOM 1766 OE1 GLN A 115 8.783 -1.093 18.263 1.00 0.00 O ATOM 1767 NE2 GLN A 115 8.451 -3.180 17.504 1.00 0.00 N ATOM 0 H GLN A 115 6.277 -1.049 13.562 1.00 0.00 H new ATOM 0 HA GLN A 115 6.273 1.093 15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.410 -0.904 14.732 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.565 0.254 16.038 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.390 -0.906 16.968 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.843 -2.214 15.893 1.00 0.00 H new ATOM 0 HE21 GLN A 115 7.967 -3.788 16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.108 -3.577 18.176 1.00 0.00 H new ATOM 1776 N SER A 116 7.025 2.773 13.890 1.00 0.00 N ATOM 1777 CA SER A 116 7.607 3.824 13.063 1.00 0.00 C ATOM 1778 C SER A 116 8.364 4.834 13.920 1.00 0.00 C ATOM 1779 O SER A 116 7.865 5.289 14.949 1.00 0.00 O ATOM 1780 CB SER A 116 6.515 4.535 12.262 1.00 0.00 C ATOM 1781 OG SER A 116 5.685 5.312 13.108 1.00 0.00 O ATOM 0 H SER A 116 6.215 3.066 14.436 1.00 0.00 H new ATOM 0 HA SER A 116 8.311 3.360 12.372 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.972 5.176 11.508 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.911 3.799 11.732 1.00 0.00 H new ATOM 0 HG SER A 116 4.996 5.757 12.571 1.00 0.00 H new ATOM 1787 N GLY A 117 9.573 5.180 13.488 1.00 0.00 N ATOM 1788 CA GLY A 117 10.380 6.133 14.227 1.00 0.00 C ATOM 1789 C GLY A 117 9.748 7.510 14.280 1.00 0.00 C ATOM 1790 O GLY A 117 8.842 7.831 13.511 1.00 0.00 O ATOM 0 H GLY A 117 10.008 4.817 12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.531 5.766 15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.365 6.206 13.765 1.00 0.00 H new ATOM 1794 N PRO A 118 10.228 8.350 15.209 1.00 0.00 N ATOM 1795 CA PRO A 118 9.718 9.713 15.383 1.00 0.00 C ATOM 1796 C PRO A 118 10.094 10.626 14.221 1.00 0.00 C ATOM 1797 O PRO A 118 11.208 11.149 14.165 1.00 0.00 O ATOM 1798 CB PRO A 118 10.394 10.183 16.673 1.00 0.00 C ATOM 1799 CG PRO A 118 11.639 9.370 16.766 1.00 0.00 C ATOM 1800 CD PRO A 118 11.307 8.034 16.160 1.00 0.00 C ATOM 0 HA PRO A 118 8.629 9.738 15.423 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.619 11.249 16.636 1.00 0.00 H new ATOM 0 HB3 PRO A 118 9.751 10.023 17.538 1.00 0.00 H new ATOM 0 HG2 PRO A 118 12.459 9.849 16.230 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.957 9.260 17.803 1.00 0.00 H new ATOM 0 HD2 PRO A 118 12.169 7.595 15.658 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.980 7.320 16.916 1.00 0.00 H new ATOM 1808 N SER A 119 9.160 10.814 13.295 1.00 0.00 N ATOM 1809 CA SER A 119 9.395 11.661 12.132 1.00 0.00 C ATOM 1810 C SER A 119 8.354 12.774 12.051 1.00 0.00 C ATOM 1811 O SER A 119 7.247 12.643 12.573 1.00 0.00 O ATOM 1812 CB SER A 119 9.365 10.826 10.851 1.00 0.00 C ATOM 1813 OG SER A 119 10.337 9.795 10.892 1.00 0.00 O ATOM 0 H SER A 119 8.233 10.391 13.328 1.00 0.00 H new ATOM 0 HA SER A 119 10.380 12.115 12.238 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.374 10.391 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.548 11.469 9.990 1.00 0.00 H new ATOM 0 HG SER A 119 10.297 9.274 10.063 1.00 0.00 H new ATOM 1819 N SER A 120 8.719 13.870 11.393 1.00 0.00 N ATOM 1820 CA SER A 120 7.819 15.008 11.246 1.00 0.00 C ATOM 1821 C SER A 120 8.204 15.853 10.036 1.00 0.00 C ATOM 1822 O SER A 120 9.365 15.880 9.628 1.00 0.00 O ATOM 1823 CB SER A 120 7.841 15.869 12.511 1.00 0.00 C ATOM 1824 OG SER A 120 7.170 15.224 13.579 1.00 0.00 O ATOM 0 H SER A 120 9.631 13.994 10.954 1.00 0.00 H new ATOM 0 HA SER A 120 6.810 14.624 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.873 16.074 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.369 16.830 12.309 1.00 0.00 H new ATOM 0 HG SER A 120 7.001 14.288 13.342 1.00 0.00 H new ATOM 1830 N GLY A 121 7.220 16.541 9.465 1.00 0.00 N ATOM 1831 CA GLY A 121 7.475 17.377 8.306 1.00 0.00 C ATOM 1832 C GLY A 121 6.394 17.250 7.251 1.00 0.00 C ATOM 1833 O GLY A 121 6.180 16.171 6.699 1.00 0.00 O ATOM 0 H GLY A 121 6.251 16.534 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 121 7.550 18.418 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 121 8.437 17.106 7.871 1.00 0.00 H new TER 1837 GLY A 121