USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 858 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 54 GLN :FLIP amide:sc= -0.867 F(o=-3.1!,f=-0.22) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.646 K(o=-0.22,f=-1.2) USER MOD Set 2.1: A 35 GLN : amide:sc= -3.59! C(o=-6.6!,f=-7.1!) USER MOD Set 2.2: A 84 CYS SG : rot -92:sc= -3! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 15 ASN :FLIP amide:sc=-0.00845 F(o=-0.88,f=-0.0085) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.241 USER MOD Single : A 21 MET CE :methyl 147:sc= -1.59 (180deg=-5.95!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 174:sc= -2! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 58:sc= 0 USER MOD Single : A 30 CYS SG : rot 150:sc= -3.89! USER MOD Single : A 33 SER OG : rot 135:sc= -1.69! USER MOD Single : A 38 GLN :FLIP amide:sc= -0.86 F(o=-3.7!,f=-0.86) USER MOD Single : A 43 CYS SG : rot -85:sc= -0.929 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= -1.62 (180deg=-4.11!) USER MOD Single : A 65 TYR OH : rot -72:sc= 0.576 USER MOD Single : A 67 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00629 USER MOD Single : A 73 GLN : amide:sc= -6.34! C(o=-6.3!,f=-8.6!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 97 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.31) USER MOD Single : A 98 GLN : amide:sc= -3.38! C(o=-3.4!,f=-8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 80:sc= -0.828 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000956) USER MOD Single : A 107 TYR OH : rot -46:sc= 0.364 USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -0.223 (180deg=-0.861) USER MOD Single : A 109 SER OG : rot 31:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.111 9.707 3.870 1.00 0.00 N ATOM 60 CA ILE A 5 11.724 9.330 3.573 1.00 0.00 C ATOM 61 C ILE A 5 11.046 10.352 2.651 1.00 0.00 C ATOM 62 O ILE A 5 10.100 10.016 1.949 1.00 0.00 O ATOM 63 CB ILE A 5 10.855 9.184 4.846 1.00 0.00 C ATOM 64 CG1 ILE A 5 11.347 8.093 5.792 1.00 0.00 C ATOM 65 CG2 ILE A 5 9.429 8.885 4.476 1.00 0.00 C ATOM 66 CD1 ILE A 5 11.574 6.749 5.157 1.00 0.00 C ATOM 0 HA ILE A 5 11.792 8.361 3.078 1.00 0.00 H new ATOM 0 HB ILE A 5 10.930 10.138 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.280 8.424 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.622 7.979 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.831 8.785 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.033 9.698 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.387 7.955 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.922 6.044 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.640 6.388 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.324 6.840 4.372 1.00 0.00 H new ATOM 78 N GLU A 6 11.446 11.617 2.770 1.00 0.00 N ATOM 79 CA GLU A 6 10.790 12.735 2.075 1.00 0.00 C ATOM 80 C GLU A 6 10.394 12.397 0.630 1.00 0.00 C ATOM 81 O GLU A 6 9.253 12.629 0.224 1.00 0.00 O ATOM 82 CB GLU A 6 11.729 13.944 2.065 1.00 0.00 C ATOM 83 CG GLU A 6 13.074 13.645 1.425 1.00 0.00 C ATOM 84 CD GLU A 6 13.963 14.855 1.305 1.00 0.00 C ATOM 85 OE1 GLU A 6 13.565 15.826 0.631 1.00 0.00 O ATOM 86 OE2 GLU A 6 15.075 14.827 1.854 1.00 0.00 O ATOM 0 H GLU A 6 12.235 11.901 3.351 1.00 0.00 H new ATOM 0 HA GLU A 6 9.871 12.953 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.251 14.764 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.887 14.283 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.587 12.884 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.910 13.224 0.433 1.00 0.00 H new ATOM 93 N LYS A 7 11.323 11.826 -0.130 1.00 0.00 N ATOM 94 CA LYS A 7 11.062 11.433 -1.512 1.00 0.00 C ATOM 95 C LYS A 7 9.976 10.367 -1.562 1.00 0.00 C ATOM 96 O LYS A 7 9.072 10.410 -2.397 1.00 0.00 O ATOM 97 CB LYS A 7 12.338 10.888 -2.161 1.00 0.00 C ATOM 98 CG LYS A 7 13.502 11.867 -2.172 1.00 0.00 C ATOM 99 CD LYS A 7 13.175 13.130 -2.954 1.00 0.00 C ATOM 100 CE LYS A 7 14.364 14.074 -3.001 1.00 0.00 C ATOM 101 NZ LYS A 7 14.064 15.308 -3.772 1.00 0.00 N ATOM 0 H LYS A 7 12.270 11.624 0.190 1.00 0.00 H new ATOM 0 HA LYS A 7 10.728 12.314 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.643 9.985 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.114 10.597 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.763 12.132 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.377 11.386 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.878 12.865 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.325 13.635 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.654 14.343 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.215 13.563 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.901 15.925 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.812 15.054 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.268 15.810 -3.328 1.00 0.00 H new ATOM 115 N ILE A 8 10.092 9.409 -0.660 1.00 0.00 N ATOM 116 CA ILE A 8 9.157 8.307 -0.570 1.00 0.00 C ATOM 117 C ILE A 8 7.763 8.783 -0.168 1.00 0.00 C ATOM 118 O ILE A 8 6.786 8.445 -0.827 1.00 0.00 O ATOM 119 CB ILE A 8 9.663 7.262 0.434 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.036 6.750 -0.009 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.668 6.123 0.554 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.668 5.774 0.954 1.00 0.00 C ATOM 0 H ILE A 8 10.841 9.375 0.032 1.00 0.00 H new ATOM 0 HA ILE A 8 9.085 7.854 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 8 9.764 7.722 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.937 6.271 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.705 7.601 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.040 5.389 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.710 6.512 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.539 5.648 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.638 5.459 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.802 6.254 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.022 4.904 1.066 1.00 0.00 H new ATOM 134 N GLN A 9 7.669 9.581 0.898 1.00 0.00 N ATOM 135 CA GLN A 9 6.373 10.105 1.340 1.00 0.00 C ATOM 136 C GLN A 9 5.661 10.859 0.239 1.00 0.00 C ATOM 137 O GLN A 9 4.456 10.713 0.075 1.00 0.00 O ATOM 138 CB GLN A 9 6.481 11.023 2.560 1.00 0.00 C ATOM 139 CG GLN A 9 6.734 10.312 3.873 1.00 0.00 C ATOM 140 CD GLN A 9 6.737 11.272 5.048 1.00 0.00 C ATOM 141 OE1 GLN A 9 7.872 11.398 5.716 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 5.727 11.909 5.343 1.00 0.00 N flip ATOM 0 H GLN A 9 8.463 9.876 1.466 1.00 0.00 H new ATOM 0 HA GLN A 9 5.797 9.222 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.287 11.737 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.559 11.598 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.968 9.552 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.692 9.794 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.870 11.785 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.746 12.562 6.127 1.00 0.00 H new ATOM 151 N ARG A 10 6.395 11.643 -0.532 1.00 0.00 N ATOM 152 CA ARG A 10 5.790 12.373 -1.634 1.00 0.00 C ATOM 153 C ARG A 10 5.182 11.398 -2.632 1.00 0.00 C ATOM 154 O ARG A 10 4.103 11.642 -3.171 1.00 0.00 O ATOM 155 CB ARG A 10 6.793 13.296 -2.326 1.00 0.00 C ATOM 156 CG ARG A 10 7.342 14.414 -1.443 1.00 0.00 C ATOM 157 CD ARG A 10 6.238 15.296 -0.861 1.00 0.00 C ATOM 158 NE ARG A 10 5.467 14.617 0.186 1.00 0.00 N ATOM 159 CZ ARG A 10 4.408 15.147 0.801 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.920 16.315 0.403 1.00 0.00 N ATOM 161 NH2 ARG A 10 3.818 14.499 1.799 1.00 0.00 N ATOM 0 H ARG A 10 7.398 11.790 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 10 5.002 13.004 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.627 12.696 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.315 13.741 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.921 13.978 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.026 15.031 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.681 16.203 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.565 15.604 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 10 5.759 13.679 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.354 16.811 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.110 16.717 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.174 13.591 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.009 14.909 2.266 1.00 0.00 H new ATOM 175 N GLN A 11 5.826 10.245 -2.777 1.00 0.00 N ATOM 176 CA GLN A 11 5.295 9.174 -3.609 1.00 0.00 C ATOM 177 C GLN A 11 4.091 8.524 -2.936 1.00 0.00 C ATOM 178 O GLN A 11 3.093 8.223 -3.582 1.00 0.00 O ATOM 179 CB GLN A 11 6.367 8.122 -3.906 1.00 0.00 C ATOM 180 CG GLN A 11 5.873 6.988 -4.793 1.00 0.00 C ATOM 181 CD GLN A 11 6.944 5.956 -5.104 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.143 6.155 -4.579 1.00 0.00 O flip ATOM 183 NE2 GLN A 11 6.693 4.982 -5.810 1.00 0.00 N flip ATOM 0 H GLN A 11 6.716 10.029 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 11 4.977 9.611 -4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.217 8.606 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.728 7.706 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.033 6.494 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.498 7.405 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.757 4.861 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.420 4.295 -6.008 1.00 0.00 H new ATOM 192 N ILE A 12 4.189 8.284 -1.637 1.00 0.00 N ATOM 193 CA ILE A 12 3.102 7.647 -0.917 1.00 0.00 C ATOM 194 C ILE A 12 1.865 8.536 -0.929 1.00 0.00 C ATOM 195 O ILE A 12 0.755 8.073 -1.176 1.00 0.00 O ATOM 196 CB ILE A 12 3.471 7.301 0.546 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.741 6.448 0.606 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.325 6.565 1.221 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.049 5.923 1.990 1.00 0.00 C ATOM 0 H ILE A 12 5.002 8.518 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 12 2.896 6.710 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 12 3.657 8.236 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.637 5.606 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.585 7.042 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.600 6.329 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.436 7.196 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.116 5.642 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.961 5.327 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.185 6.760 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.222 5.302 2.336 1.00 0.00 H new ATOM 211 N ALA A 13 2.079 9.812 -0.663 1.00 0.00 N ATOM 212 CA ALA A 13 1.003 10.789 -0.634 1.00 0.00 C ATOM 213 C ALA A 13 0.358 10.969 -2.008 1.00 0.00 C ATOM 214 O ALA A 13 -0.861 11.131 -2.102 1.00 0.00 O ATOM 215 CB ALA A 13 1.512 12.123 -0.111 1.00 0.00 C ATOM 0 H ALA A 13 3.000 10.200 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 13 0.236 10.410 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.694 12.844 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.901 11.993 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.306 12.490 -0.761 1.00 0.00 H new ATOM 221 N GLU A 14 1.176 11.000 -3.066 1.00 0.00 N ATOM 222 CA GLU A 14 0.654 11.223 -4.416 1.00 0.00 C ATOM 223 C GLU A 14 -0.259 10.079 -4.834 1.00 0.00 C ATOM 224 O GLU A 14 -1.299 10.307 -5.456 1.00 0.00 O ATOM 225 CB GLU A 14 1.759 11.419 -5.464 1.00 0.00 C ATOM 226 CG GLU A 14 2.652 10.212 -5.657 1.00 0.00 C ATOM 227 CD GLU A 14 3.616 10.369 -6.811 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.150 10.485 -7.965 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.839 10.381 -6.572 1.00 0.00 O ATOM 0 H GLU A 14 2.187 10.875 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 14 0.084 12.151 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.298 11.672 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.375 12.270 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.216 10.034 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.032 9.332 -5.826 1.00 0.00 H new ATOM 236 N ASN A 15 0.088 8.857 -4.448 1.00 0.00 N ATOM 237 CA ASN A 15 -0.767 7.724 -4.752 1.00 0.00 C ATOM 238 C ASN A 15 -1.948 7.715 -3.794 1.00 0.00 C ATOM 239 O ASN A 15 -1.772 7.693 -2.579 1.00 0.00 O ATOM 240 CB ASN A 15 0.014 6.407 -4.657 1.00 0.00 C ATOM 241 CG ASN A 15 1.127 6.312 -5.686 1.00 0.00 C ATOM 242 OD1 ASN A 15 2.351 6.118 -5.224 1.00 0.00 O flip ATOM 243 ND2 ASN A 15 0.888 6.407 -6.888 1.00 0.00 N flip ATOM 0 H ASN A 15 0.939 8.631 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.132 7.819 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.439 6.312 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.673 5.571 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.069 6.557 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.647 6.336 -7.566 1.00 0.00 H new ATOM 250 N PRO A 16 -3.174 7.792 -4.334 1.00 0.00 N ATOM 251 CA PRO A 16 -4.393 7.858 -3.519 1.00 0.00 C ATOM 252 C PRO A 16 -4.570 6.622 -2.674 1.00 0.00 C ATOM 253 O PRO A 16 -4.930 6.684 -1.502 1.00 0.00 O ATOM 254 CB PRO A 16 -5.512 7.919 -4.566 1.00 0.00 C ATOM 255 CG PRO A 16 -4.856 8.447 -5.791 1.00 0.00 C ATOM 256 CD PRO A 16 -3.467 7.890 -5.772 1.00 0.00 C ATOM 0 HA PRO A 16 -4.376 8.700 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.944 6.934 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.324 8.569 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.391 8.136 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.842 9.537 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.414 6.918 -6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.762 8.544 -6.285 1.00 0.00 H new ATOM 264 N ILE A 17 -4.298 5.499 -3.286 1.00 0.00 N ATOM 265 CA ILE A 17 -4.420 4.223 -2.638 1.00 0.00 C ATOM 266 C ILE A 17 -3.145 3.470 -2.926 1.00 0.00 C ATOM 267 O ILE A 17 -2.679 3.485 -4.065 1.00 0.00 O ATOM 268 CB ILE A 17 -5.623 3.444 -3.214 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.891 4.320 -3.244 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.868 2.171 -2.423 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.341 4.845 -1.894 1.00 0.00 C ATOM 0 H ILE A 17 -3.984 5.446 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.580 4.345 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.382 3.169 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.713 5.168 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.704 3.740 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.720 1.638 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.983 1.537 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.078 2.423 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.239 5.449 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.557 4.007 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.550 5.457 -1.459 1.00 0.00 H new ATOM 283 N LEU A 18 -2.470 3.005 -1.895 1.00 0.00 N ATOM 284 CA LEU A 18 -1.138 2.488 -2.093 1.00 0.00 C ATOM 285 C LEU A 18 -0.942 1.143 -1.434 1.00 0.00 C ATOM 286 O LEU A 18 -1.443 0.874 -0.347 1.00 0.00 O ATOM 287 CB LEU A 18 -0.097 3.465 -1.568 1.00 0.00 C ATOM 288 CG LEU A 18 0.972 3.868 -2.577 1.00 0.00 C ATOM 289 CD1 LEU A 18 2.016 4.740 -1.916 1.00 0.00 C ATOM 290 CD2 LEU A 18 1.597 2.657 -3.234 1.00 0.00 C ATOM 0 H LEU A 18 -2.813 2.975 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.010 2.359 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.606 4.364 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.392 3.021 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 18 0.494 4.448 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.773 5.020 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.542 5.639 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.486 4.190 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.355 2.981 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.060 2.029 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.827 2.088 -3.755 1.00 0.00 H new ATOM 302 N LEU A 19 -0.184 0.321 -2.106 1.00 0.00 N ATOM 303 CA LEU A 19 0.148 -0.995 -1.640 1.00 0.00 C ATOM 304 C LEU A 19 1.627 -1.259 -1.883 1.00 0.00 C ATOM 305 O LEU A 19 2.052 -1.432 -3.014 1.00 0.00 O ATOM 306 CB LEU A 19 -0.720 -2.001 -2.396 1.00 0.00 C ATOM 307 CG LEU A 19 -0.271 -3.453 -2.331 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.202 -3.949 -0.892 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.211 -4.315 -3.148 1.00 0.00 C ATOM 0 H LEU A 19 0.228 0.553 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.041 -1.088 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.736 -1.938 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.761 -1.701 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 19 0.733 -3.522 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.122 -4.990 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.509 -3.342 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.187 -3.871 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.886 -5.354 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.222 -4.231 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.202 -3.980 -4.185 1.00 0.00 H new ATOM 321 N TYR A 20 2.397 -1.382 -0.822 1.00 0.00 N ATOM 322 CA TYR A 20 3.798 -1.726 -0.966 1.00 0.00 C ATOM 323 C TYR A 20 3.980 -3.212 -0.790 1.00 0.00 C ATOM 324 O TYR A 20 3.686 -3.763 0.270 1.00 0.00 O ATOM 325 CB TYR A 20 4.666 -0.967 0.036 1.00 0.00 C ATOM 326 CG TYR A 20 5.016 0.441 -0.374 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.041 1.391 -0.644 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.345 0.817 -0.483 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.388 2.675 -1.017 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.701 2.092 -0.855 1.00 0.00 C ATOM 331 CZ TYR A 20 5.720 3.021 -1.122 1.00 0.00 C ATOM 332 OH TYR A 20 6.070 4.296 -1.499 1.00 0.00 O ATOM 0 H TYR A 20 2.082 -1.251 0.139 1.00 0.00 H new ATOM 0 HA TYR A 20 4.117 -1.437 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.147 -0.934 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.589 -1.525 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.998 1.123 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.118 0.093 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.620 3.405 -1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.743 2.363 -0.937 1.00 0.00 H new ATOM 0 HH TYR A 20 7.047 4.374 -1.523 1.00 0.00 H new ATOM 342 N MET A 21 4.400 -3.864 -1.855 1.00 0.00 N ATOM 343 CA MET A 21 4.544 -5.294 -1.838 1.00 0.00 C ATOM 344 C MET A 21 5.710 -5.762 -2.694 1.00 0.00 C ATOM 345 O MET A 21 6.643 -5.012 -2.976 1.00 0.00 O ATOM 346 CB MET A 21 3.250 -5.928 -2.310 1.00 0.00 C ATOM 347 CG MET A 21 2.792 -5.510 -3.701 1.00 0.00 C ATOM 348 SD MET A 21 1.278 -6.365 -4.183 1.00 0.00 S ATOM 349 CE MET A 21 0.957 -5.653 -5.791 1.00 0.00 C ATOM 0 H MET A 21 4.646 -3.421 -2.740 1.00 0.00 H new ATOM 0 HA MET A 21 4.759 -5.604 -0.816 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.368 -7.011 -2.294 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.463 -5.683 -1.597 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.625 -4.433 -3.722 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.579 -5.725 -4.424 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.490 -6.400 -6.433 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.290 -4.798 -5.684 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.896 -5.327 -6.238 1.00 0.00 H new ATOM 359 N LYS A 22 5.652 -7.009 -3.116 1.00 0.00 N ATOM 360 CA LYS A 22 6.698 -7.565 -3.940 1.00 0.00 C ATOM 361 C LYS A 22 6.258 -7.509 -5.380 1.00 0.00 C ATOM 362 O LYS A 22 5.067 -7.540 -5.663 1.00 0.00 O ATOM 363 CB LYS A 22 7.041 -8.987 -3.505 1.00 0.00 C ATOM 364 CG LYS A 22 8.341 -9.505 -4.095 1.00 0.00 C ATOM 365 CD LYS A 22 8.762 -10.794 -3.420 1.00 0.00 C ATOM 366 CE LYS A 22 10.032 -11.366 -4.018 1.00 0.00 C ATOM 367 NZ LYS A 22 10.407 -12.646 -3.368 1.00 0.00 N ATOM 0 H LYS A 22 4.891 -7.653 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 22 7.610 -6.979 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.107 -9.020 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.229 -9.653 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.219 -9.673 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.123 -8.755 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.913 -10.612 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.960 -11.527 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.893 -11.526 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.844 -10.648 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.280 -13.012 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.563 -12.487 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.641 -13.338 -3.496 1.00 0.00 H new ATOM 381 N GLY A 23 7.194 -7.247 -6.257 1.00 0.00 N ATOM 382 CA GLY A 23 6.832 -6.983 -7.626 1.00 0.00 C ATOM 383 C GLY A 23 7.809 -7.551 -8.617 1.00 0.00 C ATOM 384 O GLY A 23 9.014 -7.320 -8.524 1.00 0.00 O ATOM 0 H GLY A 23 8.193 -7.211 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.844 -7.399 -7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.759 -5.906 -7.774 1.00 0.00 H new ATOM 388 N SER A 24 7.283 -8.260 -9.588 1.00 0.00 N ATOM 389 CA SER A 24 8.095 -8.828 -10.642 1.00 0.00 C ATOM 390 C SER A 24 7.292 -8.834 -11.939 1.00 0.00 C ATOM 391 O SER A 24 6.085 -9.019 -11.910 1.00 0.00 O ATOM 392 CB SER A 24 8.533 -10.250 -10.267 1.00 0.00 C ATOM 393 OG SER A 24 9.430 -10.786 -11.226 1.00 0.00 O ATOM 0 H SER A 24 6.286 -8.459 -9.671 1.00 0.00 H new ATOM 0 HA SER A 24 8.993 -8.226 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.010 -10.239 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.656 -10.893 -10.187 1.00 0.00 H new ATOM 0 HG SER A 24 9.766 -11.651 -10.912 1.00 0.00 H new ATOM 399 N PRO A 25 7.928 -8.595 -13.095 1.00 0.00 N ATOM 400 CA PRO A 25 7.225 -8.569 -14.381 1.00 0.00 C ATOM 401 C PRO A 25 6.426 -9.853 -14.597 1.00 0.00 C ATOM 402 O PRO A 25 5.302 -9.831 -15.099 1.00 0.00 O ATOM 403 CB PRO A 25 8.348 -8.442 -15.421 1.00 0.00 C ATOM 404 CG PRO A 25 9.621 -8.691 -14.678 1.00 0.00 C ATOM 405 CD PRO A 25 9.356 -8.307 -13.253 1.00 0.00 C ATOM 0 HA PRO A 25 6.503 -7.755 -14.443 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.218 -9.164 -16.227 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.349 -7.452 -15.877 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.916 -9.738 -14.751 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.437 -8.101 -15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.964 -8.887 -12.559 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.579 -7.256 -13.070 1.00 0.00 H new ATOM 413 N LYS A 26 6.998 -10.963 -14.138 1.00 0.00 N ATOM 414 CA LYS A 26 6.337 -12.263 -14.190 1.00 0.00 C ATOM 415 C LYS A 26 5.082 -12.282 -13.309 1.00 0.00 C ATOM 416 O LYS A 26 4.105 -12.961 -13.627 1.00 0.00 O ATOM 417 CB LYS A 26 7.305 -13.372 -13.755 1.00 0.00 C ATOM 418 CG LYS A 26 7.781 -13.245 -12.313 1.00 0.00 C ATOM 419 CD LYS A 26 8.793 -14.319 -11.946 1.00 0.00 C ATOM 420 CE LYS A 26 10.052 -14.205 -12.786 1.00 0.00 C ATOM 421 NZ LYS A 26 11.066 -15.222 -12.416 1.00 0.00 N ATOM 0 H LYS A 26 7.929 -10.987 -13.721 1.00 0.00 H new ATOM 0 HA LYS A 26 6.031 -12.443 -15.221 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.816 -14.338 -13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.172 -13.364 -14.416 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.227 -12.262 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.924 -13.311 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.050 -14.233 -10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.348 -15.304 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.795 -14.317 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.478 -13.209 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.908 -15.106 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.332 -15.100 -11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.670 -16.174 -12.555 1.00 0.00 H new ATOM 435 N LEU A 27 5.133 -11.577 -12.180 1.00 0.00 N ATOM 436 CA LEU A 27 4.028 -11.562 -11.223 1.00 0.00 C ATOM 437 C LEU A 27 4.164 -10.319 -10.344 1.00 0.00 C ATOM 438 O LEU A 27 5.153 -10.170 -9.627 1.00 0.00 O ATOM 439 CB LEU A 27 4.126 -12.817 -10.350 1.00 0.00 C ATOM 440 CG LEU A 27 2.835 -13.300 -9.662 1.00 0.00 C ATOM 441 CD1 LEU A 27 3.104 -14.584 -8.896 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.254 -12.250 -8.729 1.00 0.00 C ATOM 0 H LEU A 27 5.932 -11.006 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 27 3.069 -11.545 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.503 -13.631 -10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.872 -12.633 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 27 2.098 -13.485 -10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.186 -14.918 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.452 -15.353 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.867 -14.403 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.345 -12.636 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.981 -12.010 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.018 -11.350 -9.296 1.00 0.00 H new ATOM 454 N PRO A 28 3.228 -9.362 -10.455 1.00 0.00 N ATOM 455 CA PRO A 28 3.324 -8.078 -9.747 1.00 0.00 C ATOM 456 C PRO A 28 3.067 -8.159 -8.241 1.00 0.00 C ATOM 457 O PRO A 28 2.835 -7.139 -7.601 1.00 0.00 O ATOM 458 CB PRO A 28 2.240 -7.227 -10.414 1.00 0.00 C ATOM 459 CG PRO A 28 1.279 -8.188 -11.007 1.00 0.00 C ATOM 460 CD PRO A 28 2.069 -9.406 -11.365 1.00 0.00 C ATOM 0 HA PRO A 28 4.336 -7.679 -9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.748 -6.581 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.667 -6.579 -11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.487 -8.433 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.799 -7.763 -11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.485 -10.316 -11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.381 -9.386 -12.409 1.00 0.00 H new ATOM 468 N SER A 29 3.185 -9.347 -7.667 1.00 0.00 N ATOM 469 CA SER A 29 3.045 -9.525 -6.234 1.00 0.00 C ATOM 470 C SER A 29 3.597 -10.870 -5.788 1.00 0.00 C ATOM 471 O SER A 29 2.929 -11.643 -5.099 1.00 0.00 O ATOM 472 CB SER A 29 1.598 -9.345 -5.817 1.00 0.00 C ATOM 473 OG SER A 29 0.708 -10.100 -6.628 1.00 0.00 O ATOM 0 H SER A 29 3.379 -10.208 -8.179 1.00 0.00 H new ATOM 0 HA SER A 29 3.635 -8.758 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.482 -9.646 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.333 -8.289 -5.876 1.00 0.00 H new ATOM 0 HG SER A 29 0.947 -11.049 -6.579 1.00 0.00 H new ATOM 479 N CYS A 30 4.810 -11.147 -6.231 1.00 0.00 N ATOM 480 CA CYS A 30 5.494 -12.406 -5.952 1.00 0.00 C ATOM 481 C CYS A 30 5.914 -12.577 -4.484 1.00 0.00 C ATOM 482 O CYS A 30 7.054 -12.934 -4.204 1.00 0.00 O ATOM 483 CB CYS A 30 6.713 -12.509 -6.852 1.00 0.00 C ATOM 484 SG CYS A 30 7.659 -10.977 -7.001 1.00 0.00 S ATOM 0 H CYS A 30 5.357 -10.501 -6.800 1.00 0.00 H new ATOM 0 HA CYS A 30 4.782 -13.207 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.368 -13.291 -6.468 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.391 -12.822 -7.845 1.00 0.00 H new ATOM 0 HG CYS A 30 8.912 -11.259 -7.204 1.00 0.00 H new ATOM 490 N GLY A 31 4.992 -12.351 -3.562 1.00 0.00 N ATOM 491 CA GLY A 31 5.289 -12.497 -2.144 1.00 0.00 C ATOM 492 C GLY A 31 4.049 -12.786 -1.311 1.00 0.00 C ATOM 493 O GLY A 31 3.203 -13.587 -1.706 1.00 0.00 O ATOM 0 H GLY A 31 4.034 -12.067 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.009 -13.304 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.762 -11.585 -1.780 1.00 0.00 H new ATOM 497 N PHE A 32 3.928 -12.115 -0.166 1.00 0.00 N ATOM 498 CA PHE A 32 2.776 -12.297 0.712 1.00 0.00 C ATOM 499 C PHE A 32 1.577 -11.608 0.116 1.00 0.00 C ATOM 500 O PHE A 32 0.451 -12.087 0.192 1.00 0.00 O ATOM 501 CB PHE A 32 3.021 -11.692 2.098 1.00 0.00 C ATOM 502 CG PHE A 32 4.083 -12.363 2.915 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.391 -12.443 2.471 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.761 -12.898 4.149 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.363 -13.052 3.243 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.726 -13.507 4.928 1.00 0.00 C ATOM 507 CZ PHE A 32 6.028 -13.587 4.473 1.00 0.00 C ATOM 0 H PHE A 32 4.614 -11.441 0.174 1.00 0.00 H new ATOM 0 HA PHE A 32 2.608 -13.369 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.290 -10.643 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.086 -11.718 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.656 -12.025 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.744 -12.839 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.381 -13.110 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.463 -13.920 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.783 -14.067 5.078 1.00 0.00 H new ATOM 517 N SER A 33 1.840 -10.444 -0.429 1.00 0.00 N ATOM 518 CA SER A 33 0.827 -9.586 -0.993 1.00 0.00 C ATOM 519 C SER A 33 -0.039 -10.274 -2.041 1.00 0.00 C ATOM 520 O SER A 33 -1.129 -9.804 -2.315 1.00 0.00 O ATOM 521 CB SER A 33 1.499 -8.373 -1.579 1.00 0.00 C ATOM 522 OG SER A 33 2.501 -8.760 -2.505 1.00 0.00 O ATOM 0 H SER A 33 2.783 -10.060 -0.494 1.00 0.00 H new ATOM 0 HA SER A 33 0.147 -9.304 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.760 -7.744 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.942 -7.775 -0.783 1.00 0.00 H new ATOM 0 HG SER A 33 2.428 -8.211 -3.314 1.00 0.00 H new ATOM 528 N ALA A 34 0.422 -11.397 -2.587 1.00 0.00 N ATOM 529 CA ALA A 34 -0.368 -12.152 -3.557 1.00 0.00 C ATOM 530 C ALA A 34 -1.785 -12.381 -3.028 1.00 0.00 C ATOM 531 O ALA A 34 -2.764 -12.228 -3.755 1.00 0.00 O ATOM 532 CB ALA A 34 0.306 -13.480 -3.869 1.00 0.00 C ATOM 0 H ALA A 34 1.334 -11.803 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.434 -11.573 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.294 -14.031 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.297 -13.296 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.398 -14.065 -2.954 1.00 0.00 H new ATOM 538 N GLN A 35 -1.883 -12.660 -1.736 1.00 0.00 N ATOM 539 CA GLN A 35 -3.172 -12.809 -1.078 1.00 0.00 C ATOM 540 C GLN A 35 -3.821 -11.454 -0.731 1.00 0.00 C ATOM 541 O GLN A 35 -5.034 -11.296 -0.859 1.00 0.00 O ATOM 542 CB GLN A 35 -3.026 -13.775 0.125 1.00 0.00 C ATOM 543 CG GLN A 35 -3.652 -13.369 1.456 1.00 0.00 C ATOM 544 CD GLN A 35 -2.741 -12.504 2.318 1.00 0.00 C ATOM 545 OE1 GLN A 35 -3.024 -12.258 3.483 1.00 0.00 O ATOM 546 NE2 GLN A 35 -1.653 -12.030 1.751 1.00 0.00 N ATOM 0 H GLN A 35 -1.080 -12.788 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.880 -13.262 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.454 -14.735 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.962 -13.938 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.578 -12.827 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.919 -14.268 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.446 -12.254 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.016 -11.438 2.285 1.00 0.00 H new ATOM 555 N ALA A 36 -3.017 -10.487 -0.298 1.00 0.00 N ATOM 556 CA ALA A 36 -3.517 -9.161 0.078 1.00 0.00 C ATOM 557 C ALA A 36 -4.050 -8.368 -1.119 1.00 0.00 C ATOM 558 O ALA A 36 -5.083 -7.702 -1.025 1.00 0.00 O ATOM 559 CB ALA A 36 -2.421 -8.374 0.776 1.00 0.00 C ATOM 0 H ALA A 36 -2.008 -10.595 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.356 -9.315 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.799 -7.390 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.106 -8.907 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.571 -8.260 0.104 1.00 0.00 H new ATOM 565 N VAL A 37 -3.304 -8.397 -2.216 1.00 0.00 N ATOM 566 CA VAL A 37 -3.637 -7.634 -3.421 1.00 0.00 C ATOM 567 C VAL A 37 -5.054 -7.943 -3.893 1.00 0.00 C ATOM 568 O VAL A 37 -5.775 -7.055 -4.354 1.00 0.00 O ATOM 569 CB VAL A 37 -2.624 -7.921 -4.564 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.628 -9.386 -4.966 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.899 -7.046 -5.777 1.00 0.00 C ATOM 0 H VAL A 37 -2.450 -8.949 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.579 -6.577 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.634 -7.679 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.907 -9.545 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.357 -10.000 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.623 -9.665 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.174 -7.270 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.905 -7.243 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.816 -5.996 -5.495 1.00 0.00 H new ATOM 581 N GLN A 38 -5.438 -9.207 -3.802 1.00 0.00 N ATOM 582 CA GLN A 38 -6.747 -9.632 -4.257 1.00 0.00 C ATOM 583 C GLN A 38 -7.839 -8.976 -3.417 1.00 0.00 C ATOM 584 O GLN A 38 -8.820 -8.481 -3.955 1.00 0.00 O ATOM 585 CB GLN A 38 -6.877 -11.155 -4.187 1.00 0.00 C ATOM 586 CG GLN A 38 -5.677 -11.915 -4.749 1.00 0.00 C ATOM 587 CD GLN A 38 -5.328 -11.604 -6.202 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.139 -10.814 -6.888 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.331 -12.116 -6.716 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.860 -9.954 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.864 -9.321 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.023 -11.448 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.771 -11.457 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.807 -11.697 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.871 -12.984 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.725 -12.721 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.112 -11.935 -7.696 1.00 0.00 H new ATOM 598 N ALA A 39 -7.635 -8.954 -2.100 1.00 0.00 N ATOM 599 CA ALA A 39 -8.583 -8.335 -1.172 1.00 0.00 C ATOM 600 C ALA A 39 -8.806 -6.861 -1.492 1.00 0.00 C ATOM 601 O ALA A 39 -9.923 -6.360 -1.379 1.00 0.00 O ATOM 602 CB ALA A 39 -8.093 -8.478 0.262 1.00 0.00 C ATOM 0 H ALA A 39 -6.816 -9.361 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.534 -8.855 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.809 -8.013 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.994 -9.535 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.124 -7.989 0.366 1.00 0.00 H new ATOM 608 N LEU A 40 -7.729 -6.154 -1.808 1.00 0.00 N ATOM 609 CA LEU A 40 -7.799 -4.716 -2.044 1.00 0.00 C ATOM 610 C LEU A 40 -8.679 -4.429 -3.247 1.00 0.00 C ATOM 611 O LEU A 40 -9.669 -3.704 -3.153 1.00 0.00 O ATOM 612 CB LEU A 40 -6.406 -4.180 -2.334 1.00 0.00 C ATOM 613 CG LEU A 40 -6.104 -2.766 -1.816 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.719 -2.325 -2.257 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.154 -1.760 -2.266 1.00 0.00 C ATOM 0 H LEU A 40 -6.795 -6.552 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.214 -4.237 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.678 -4.866 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.252 -4.190 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.134 -2.802 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.520 -1.321 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.974 -3.015 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.667 -2.322 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.902 -0.773 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.182 -1.725 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.131 -2.060 -1.888 1.00 0.00 H new ATOM 627 N ALA A 41 -8.316 -5.041 -4.365 1.00 0.00 N ATOM 628 CA ALA A 41 -9.063 -4.902 -5.603 1.00 0.00 C ATOM 629 C ALA A 41 -10.479 -5.418 -5.429 1.00 0.00 C ATOM 630 O ALA A 41 -11.410 -4.971 -6.099 1.00 0.00 O ATOM 631 CB ALA A 41 -8.360 -5.640 -6.733 1.00 0.00 C ATOM 0 H ALA A 41 -7.498 -5.646 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.112 -3.844 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.932 -5.526 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.362 -5.225 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.282 -6.698 -6.483 1.00 0.00 H new ATOM 637 N ALA A 42 -10.623 -6.395 -4.547 1.00 0.00 N ATOM 638 CA ALA A 42 -11.922 -7.011 -4.302 1.00 0.00 C ATOM 639 C ALA A 42 -12.848 -6.074 -3.540 1.00 0.00 C ATOM 640 O ALA A 42 -14.035 -5.978 -3.847 1.00 0.00 O ATOM 641 CB ALA A 42 -11.771 -8.327 -3.552 1.00 0.00 C ATOM 0 H ALA A 42 -9.860 -6.779 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.371 -7.215 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.755 -8.764 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.165 -9.015 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.285 -8.146 -2.593 1.00 0.00 H new ATOM 647 N CYS A 43 -12.330 -5.454 -2.487 1.00 0.00 N ATOM 648 CA CYS A 43 -13.151 -4.612 -1.635 1.00 0.00 C ATOM 649 C CYS A 43 -13.412 -3.245 -2.268 1.00 0.00 C ATOM 650 O CYS A 43 -14.563 -2.840 -2.421 1.00 0.00 O ATOM 651 CB CYS A 43 -12.505 -4.466 -0.254 1.00 0.00 C ATOM 652 SG CYS A 43 -10.850 -3.739 -0.260 1.00 0.00 S ATOM 0 H CYS A 43 -11.352 -5.519 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.120 -5.098 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.153 -3.852 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.452 -5.450 0.212 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.968 -4.670 -0.473 1.00 0.00 H new ATOM 658 N GLY A 44 -12.349 -2.542 -2.627 1.00 0.00 N ATOM 659 CA GLY A 44 -12.498 -1.233 -3.229 1.00 0.00 C ATOM 660 C GLY A 44 -12.321 -1.248 -4.733 1.00 0.00 C ATOM 661 O GLY A 44 -12.813 -2.142 -5.424 1.00 0.00 O ATOM 0 H GLY A 44 -11.385 -2.854 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.486 -0.840 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.769 -0.552 -2.790 1.00 0.00 H new ATOM 665 N GLU A 45 -11.568 -0.276 -5.222 1.00 0.00 N ATOM 666 CA GLU A 45 -11.243 -0.162 -6.633 1.00 0.00 C ATOM 667 C GLU A 45 -9.764 0.144 -6.827 1.00 0.00 C ATOM 668 O GLU A 45 -8.915 -0.421 -6.136 1.00 0.00 O ATOM 669 CB GLU A 45 -12.096 0.874 -7.375 1.00 0.00 C ATOM 670 CG GLU A 45 -13.554 0.483 -7.527 1.00 0.00 C ATOM 671 CD GLU A 45 -14.242 1.264 -8.630 1.00 0.00 C ATOM 672 OE1 GLU A 45 -14.290 2.509 -8.558 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.707 0.629 -9.599 1.00 0.00 O ATOM 0 H GLU A 45 -11.162 0.461 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.476 -1.133 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.039 1.824 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.670 1.038 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.622 -0.583 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.075 0.652 -6.584 1.00 0.00 H new ATOM 680 N ARG A 46 -9.471 0.875 -7.901 1.00 0.00 N ATOM 681 CA ARG A 46 -8.103 1.093 -8.366 1.00 0.00 C ATOM 682 C ARG A 46 -7.182 1.568 -7.258 1.00 0.00 C ATOM 683 O ARG A 46 -7.601 2.230 -6.308 1.00 0.00 O ATOM 684 CB ARG A 46 -8.070 2.105 -9.509 1.00 0.00 C ATOM 685 CG ARG A 46 -8.921 1.719 -10.703 1.00 0.00 C ATOM 686 CD ARG A 46 -8.478 0.404 -11.327 1.00 0.00 C ATOM 687 NE ARG A 46 -7.107 0.463 -11.833 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.507 -0.540 -12.471 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.172 -1.661 -12.729 1.00 0.00 N ATOM 690 NH2 ARG A 46 -5.248 -0.410 -12.869 1.00 0.00 N ATOM 0 H ARG A 46 -10.178 1.334 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.743 0.126 -8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.407 3.072 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.039 2.232 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.963 1.639 -10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.871 2.509 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.555 -0.391 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.153 0.146 -12.143 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.579 1.324 -11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.145 -1.755 -12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.709 -2.427 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.742 0.457 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.786 -1.177 -13.358 1.00 0.00 H new ATOM 704 N PHE A 47 -5.938 1.140 -7.361 1.00 0.00 N ATOM 705 CA PHE A 47 -4.947 1.406 -6.341 1.00 0.00 C ATOM 706 C PHE A 47 -3.551 1.290 -6.931 1.00 0.00 C ATOM 707 O PHE A 47 -3.330 0.542 -7.888 1.00 0.00 O ATOM 708 CB PHE A 47 -5.120 0.423 -5.180 1.00 0.00 C ATOM 709 CG PHE A 47 -4.772 -1.011 -5.492 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.448 -1.435 -5.491 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.771 -1.947 -5.707 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.131 -2.762 -5.716 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.456 -3.278 -5.923 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.137 -3.682 -5.928 1.00 0.00 C ATOM 0 H PHE A 47 -5.589 0.600 -8.153 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.082 2.420 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.501 0.757 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.156 0.463 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.658 -0.720 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.805 -1.635 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.098 -3.078 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.243 -4.000 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.892 -4.720 -6.098 1.00 0.00 H new ATOM 724 N ALA A 48 -2.609 1.988 -6.337 1.00 0.00 N ATOM 725 CA ALA A 48 -1.225 1.915 -6.761 1.00 0.00 C ATOM 726 C ALA A 48 -0.450 0.985 -5.855 1.00 0.00 C ATOM 727 O ALA A 48 -0.687 0.941 -4.655 1.00 0.00 O ATOM 728 CB ALA A 48 -0.590 3.294 -6.799 1.00 0.00 C ATOM 0 H ALA A 48 -2.776 2.618 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.197 1.514 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.448 3.208 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.135 3.927 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.626 3.739 -5.805 1.00 0.00 H new ATOM 734 N TYR A 49 0.478 0.249 -6.426 1.00 0.00 N ATOM 735 CA TYR A 49 1.285 -0.666 -5.653 1.00 0.00 C ATOM 736 C TYR A 49 2.750 -0.325 -5.904 1.00 0.00 C ATOM 737 O TYR A 49 3.110 0.080 -7.012 1.00 0.00 O ATOM 738 CB TYR A 49 0.992 -2.125 -6.047 1.00 0.00 C ATOM 739 CG TYR A 49 1.836 -2.656 -7.183 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.137 -3.077 -6.940 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.358 -2.711 -8.483 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.940 -3.540 -7.953 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.156 -3.179 -9.510 1.00 0.00 C ATOM 744 CZ TYR A 49 3.448 -3.592 -9.241 1.00 0.00 C ATOM 745 OH TYR A 49 4.249 -4.056 -10.261 1.00 0.00 O ATOM 0 H TYR A 49 0.692 0.267 -7.423 1.00 0.00 H new ATOM 0 HA TYR A 49 1.050 -0.566 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.142 -2.760 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.059 -2.208 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.525 -3.039 -5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.351 -2.385 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.950 -3.861 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.772 -3.222 -10.519 1.00 0.00 H new ATOM 0 HH TYR A 49 3.752 -4.029 -11.105 1.00 0.00 H new ATOM 755 N VAL A 50 3.598 -0.532 -4.922 1.00 0.00 N ATOM 756 CA VAL A 50 5.017 -0.304 -5.103 1.00 0.00 C ATOM 757 C VAL A 50 5.796 -1.552 -4.749 1.00 0.00 C ATOM 758 O VAL A 50 5.638 -2.101 -3.658 1.00 0.00 O ATOM 759 CB VAL A 50 5.530 0.873 -4.246 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.008 1.112 -4.494 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.736 2.133 -4.533 1.00 0.00 C ATOM 0 H VAL A 50 3.333 -0.857 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 50 5.169 -0.052 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 50 5.393 0.612 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.350 1.946 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.570 0.215 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.167 1.347 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.115 2.950 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.837 2.395 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.685 1.961 -4.301 1.00 0.00 H new ATOM 771 N ASP A 51 6.694 -1.944 -5.637 1.00 0.00 N ATOM 772 CA ASP A 51 7.571 -3.061 -5.374 1.00 0.00 C ATOM 773 C ASP A 51 8.705 -2.634 -4.453 1.00 0.00 C ATOM 774 O ASP A 51 9.266 -1.549 -4.583 1.00 0.00 O ATOM 775 CB ASP A 51 8.105 -3.694 -6.670 1.00 0.00 C ATOM 776 CG ASP A 51 8.809 -2.727 -7.610 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.859 -1.516 -7.326 1.00 0.00 O ATOM 778 OD2 ASP A 51 9.296 -3.184 -8.663 1.00 0.00 O ATOM 0 H ASP A 51 6.831 -1.502 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 51 6.989 -3.832 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.798 -4.494 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.273 -4.155 -7.202 1.00 0.00 H new ATOM 783 N ILE A 52 8.930 -3.436 -3.434 1.00 0.00 N ATOM 784 CA ILE A 52 9.867 -3.104 -2.373 1.00 0.00 C ATOM 785 C ILE A 52 10.493 -4.360 -1.822 1.00 0.00 C ATOM 786 O ILE A 52 11.689 -4.430 -1.602 1.00 0.00 O ATOM 787 CB ILE A 52 9.194 -2.277 -1.258 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.718 -2.646 -1.117 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.358 -0.799 -1.508 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.464 -3.913 -0.366 1.00 0.00 C ATOM 0 H ILE A 52 8.470 -4.338 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 52 10.655 -2.482 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 52 9.691 -2.516 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.199 -1.830 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.282 -2.735 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.875 -0.239 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.419 -0.550 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.899 -0.538 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.391 -4.097 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.950 -4.743 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.866 -3.824 0.643 1.00 0.00 H new ATOM 802 N LEU A 53 9.699 -5.398 -1.795 1.00 0.00 N ATOM 803 CA LEU A 53 10.174 -6.727 -1.492 1.00 0.00 C ATOM 804 C LEU A 53 11.097 -7.213 -2.608 1.00 0.00 C ATOM 805 O LEU A 53 11.889 -8.135 -2.429 1.00 0.00 O ATOM 806 CB LEU A 53 8.964 -7.604 -1.320 1.00 0.00 C ATOM 807 CG LEU A 53 8.025 -7.059 -0.261 1.00 0.00 C ATOM 808 CD1 LEU A 53 6.692 -7.749 -0.298 1.00 0.00 C ATOM 809 CD2 LEU A 53 8.660 -7.170 1.104 1.00 0.00 C ATOM 0 H LEU A 53 8.698 -5.347 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 53 10.762 -6.749 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.435 -7.685 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.280 -8.610 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 53 7.846 -6.005 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.045 -7.333 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.232 -7.600 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.829 -8.816 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.977 -6.776 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.875 -8.216 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.588 -6.598 1.121 1.00 0.00 H new ATOM 821 N GLN A 54 11.047 -6.497 -3.729 1.00 0.00 N ATOM 822 CA GLN A 54 11.939 -6.739 -4.850 1.00 0.00 C ATOM 823 C GLN A 54 13.136 -5.768 -4.807 1.00 0.00 C ATOM 824 O GLN A 54 14.281 -6.198 -4.934 1.00 0.00 O ATOM 825 CB GLN A 54 11.150 -6.645 -6.179 1.00 0.00 C ATOM 826 CG GLN A 54 11.998 -6.829 -7.439 1.00 0.00 C ATOM 827 CD GLN A 54 12.667 -5.548 -7.912 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.188 -4.416 -7.422 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.555 -5.577 -8.764 1.00 0.00 N flip ATOM 0 H GLN A 54 10.386 -5.735 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 54 12.347 -7.747 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.363 -7.400 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.659 -5.673 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.764 -7.580 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.367 -7.217 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.896 -6.472 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.950 -4.706 -9.119 1.00 0.00 H new ATOM 838 N ASN A 55 12.876 -4.472 -4.576 1.00 0.00 N ATOM 839 CA ASN A 55 13.955 -3.475 -4.464 1.00 0.00 C ATOM 840 C ASN A 55 14.646 -3.579 -3.113 1.00 0.00 C ATOM 841 O ASN A 55 14.018 -3.409 -2.079 1.00 0.00 O ATOM 842 CB ASN A 55 13.420 -2.046 -4.642 1.00 0.00 C ATOM 843 CG ASN A 55 12.850 -1.785 -6.021 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.534 -1.950 -7.029 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.592 -1.371 -6.079 1.00 0.00 N ATOM 0 H ASN A 55 11.937 -4.091 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 55 14.670 -3.686 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.647 -1.860 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.226 -1.338 -4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.160 -1.178 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.056 -1.246 -5.220 1.00 0.00 H new ATOM 852 N PRO A 56 15.953 -3.845 -3.095 1.00 0.00 N ATOM 853 CA PRO A 56 16.710 -3.963 -1.846 1.00 0.00 C ATOM 854 C PRO A 56 16.762 -2.657 -1.052 1.00 0.00 C ATOM 855 O PRO A 56 16.664 -2.668 0.176 1.00 0.00 O ATOM 856 CB PRO A 56 18.114 -4.375 -2.306 1.00 0.00 C ATOM 857 CG PRO A 56 18.197 -3.958 -3.735 1.00 0.00 C ATOM 858 CD PRO A 56 16.800 -4.057 -4.282 1.00 0.00 C ATOM 0 HA PRO A 56 16.246 -4.678 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.883 -3.886 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.263 -5.450 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.578 -2.941 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.879 -4.602 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.614 -3.304 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.615 -5.029 -4.739 1.00 0.00 H new ATOM 866 N ASP A 57 17.021 -1.549 -1.741 1.00 0.00 N ATOM 867 CA ASP A 57 17.218 -0.260 -1.068 1.00 0.00 C ATOM 868 C ASP A 57 15.926 0.276 -0.472 1.00 0.00 C ATOM 869 O ASP A 57 15.878 0.640 0.705 1.00 0.00 O ATOM 870 CB ASP A 57 17.800 0.783 -2.030 1.00 0.00 C ATOM 871 CG ASP A 57 19.201 0.451 -2.499 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.390 -0.604 -3.140 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.124 1.254 -2.234 1.00 0.00 O ATOM 0 H ASP A 57 17.100 -1.513 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 57 17.924 -0.440 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.146 0.872 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.810 1.755 -1.537 1.00 0.00 H new ATOM 878 N ILE A 58 14.902 0.380 -1.303 1.00 0.00 N ATOM 879 CA ILE A 58 13.622 0.942 -0.886 1.00 0.00 C ATOM 880 C ILE A 58 13.008 0.093 0.226 1.00 0.00 C ATOM 881 O ILE A 58 12.395 0.608 1.157 1.00 0.00 O ATOM 882 CB ILE A 58 12.642 1.042 -2.077 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.307 1.765 -3.251 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.381 1.784 -1.663 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.426 1.873 -4.480 1.00 0.00 C ATOM 0 H ILE A 58 14.930 0.081 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 58 13.804 1.948 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 58 12.372 0.033 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.595 2.767 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.224 1.239 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.700 1.847 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.895 1.249 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.642 2.789 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.965 2.397 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.158 0.874 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.520 2.426 -4.231 1.00 0.00 H new ATOM 897 N ARG A 59 13.215 -1.212 0.118 1.00 0.00 N ATOM 898 CA ARG A 59 12.726 -2.189 1.092 1.00 0.00 C ATOM 899 C ARG A 59 13.108 -1.835 2.529 1.00 0.00 C ATOM 900 O ARG A 59 12.469 -2.296 3.468 1.00 0.00 O ATOM 901 CB ARG A 59 13.316 -3.561 0.769 1.00 0.00 C ATOM 902 CG ARG A 59 12.831 -4.688 1.666 1.00 0.00 C ATOM 903 CD ARG A 59 13.596 -5.967 1.380 1.00 0.00 C ATOM 904 NE ARG A 59 15.022 -5.815 1.681 1.00 0.00 N ATOM 905 CZ ARG A 59 15.946 -6.737 1.419 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.617 -7.851 0.781 1.00 0.00 N ATOM 907 NH2 ARG A 59 17.207 -6.534 1.786 1.00 0.00 N ATOM 0 H ARG A 59 13.732 -1.631 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 59 11.638 -2.190 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.077 -3.810 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.402 -3.500 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.959 -4.408 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.765 -4.853 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.182 -6.781 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.471 -6.241 0.333 1.00 0.00 H new ATOM 0 HE ARG A 59 15.327 -4.946 2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.652 -8.005 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.329 -8.554 0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.466 -5.673 2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.916 -7.239 1.586 1.00 0.00 H new ATOM 921 N ALA A 60 14.261 -1.208 2.702 1.00 0.00 N ATOM 922 CA ALA A 60 14.818 -1.033 4.030 1.00 0.00 C ATOM 923 C ALA A 60 14.376 0.263 4.685 1.00 0.00 C ATOM 924 O ALA A 60 14.395 0.370 5.896 1.00 0.00 O ATOM 925 CB ALA A 60 16.336 -1.103 3.971 1.00 0.00 C ATOM 0 H ALA A 60 14.823 -0.816 1.946 1.00 0.00 H new ATOM 0 HA ALA A 60 14.436 -1.846 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.746 -0.971 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.641 -2.074 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.711 -0.315 3.318 1.00 0.00 H new ATOM 931 N GLU A 61 14.309 1.303 3.887 1.00 0.00 N ATOM 932 CA GLU A 61 14.254 2.654 4.416 1.00 0.00 C ATOM 933 C GLU A 61 12.871 3.099 4.913 1.00 0.00 C ATOM 934 O GLU A 61 12.737 3.496 6.069 1.00 0.00 O ATOM 935 CB GLU A 61 14.757 3.601 3.334 1.00 0.00 C ATOM 936 CG GLU A 61 14.622 5.060 3.686 1.00 0.00 C ATOM 937 CD GLU A 61 15.343 5.446 4.966 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.585 5.340 5.020 1.00 0.00 O ATOM 939 OE2 GLU A 61 14.669 5.861 5.930 1.00 0.00 O ATOM 0 H GLU A 61 14.291 1.244 2.869 1.00 0.00 H new ATOM 0 HA GLU A 61 14.884 2.677 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.806 3.382 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.208 3.408 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.011 5.661 2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.565 5.305 3.787 1.00 0.00 H new ATOM 946 N LEU A 62 11.871 3.154 4.035 1.00 0.00 N ATOM 947 CA LEU A 62 10.579 3.715 4.440 1.00 0.00 C ATOM 948 C LEU A 62 9.745 2.797 5.355 1.00 0.00 C ATOM 949 O LEU A 62 8.946 3.310 6.137 1.00 0.00 O ATOM 950 CB LEU A 62 9.750 4.277 3.250 1.00 0.00 C ATOM 951 CG LEU A 62 9.035 3.310 2.294 1.00 0.00 C ATOM 952 CD1 LEU A 62 9.988 2.294 1.719 1.00 0.00 C ATOM 953 CD2 LEU A 62 7.824 2.683 2.956 1.00 0.00 C ATOM 0 H LEU A 62 11.923 2.829 3.069 1.00 0.00 H new ATOM 0 HA LEU A 62 10.846 4.570 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.993 4.942 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.419 4.893 2.649 1.00 0.00 H new ATOM 0 HG LEU A 62 8.661 3.884 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.447 1.627 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.775 2.806 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.432 1.713 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.338 2.003 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.139 2.129 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.123 3.465 3.248 1.00 0.00 H new ATOM 965 N PRO A 63 9.892 1.447 5.325 1.00 0.00 N ATOM 966 CA PRO A 63 9.113 0.588 6.218 1.00 0.00 C ATOM 967 C PRO A 63 9.394 0.928 7.667 1.00 0.00 C ATOM 968 O PRO A 63 8.480 1.005 8.493 1.00 0.00 O ATOM 969 CB PRO A 63 9.607 -0.821 5.901 1.00 0.00 C ATOM 970 CG PRO A 63 10.940 -0.618 5.289 1.00 0.00 C ATOM 971 CD PRO A 63 10.812 0.644 4.500 1.00 0.00 C ATOM 0 HA PRO A 63 8.039 0.703 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.673 -1.431 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.931 -1.334 5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.715 -0.531 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.213 -1.458 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.774 1.139 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.408 0.460 3.504 1.00 0.00 H new ATOM 979 N LYS A 64 10.671 1.180 7.943 1.00 0.00 N ATOM 980 CA LYS A 64 11.122 1.566 9.266 1.00 0.00 C ATOM 981 C LYS A 64 10.371 2.804 9.711 1.00 0.00 C ATOM 982 O LYS A 64 9.992 2.934 10.876 1.00 0.00 O ATOM 983 CB LYS A 64 12.621 1.863 9.265 1.00 0.00 C ATOM 984 CG LYS A 64 13.454 0.811 8.558 1.00 0.00 C ATOM 985 CD LYS A 64 14.952 0.988 8.795 1.00 0.00 C ATOM 986 CE LYS A 64 15.517 2.268 8.175 1.00 0.00 C ATOM 987 NZ LYS A 64 15.065 3.506 8.869 1.00 0.00 N ATOM 0 H LYS A 64 11.418 1.121 7.251 1.00 0.00 H new ATOM 0 HA LYS A 64 10.929 0.741 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.790 2.828 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.965 1.953 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.150 -0.178 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.252 0.853 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.144 0.997 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.482 0.129 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.606 2.224 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.221 2.318 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.866 4.163 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.310 3.959 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.703 3.262 9.813 1.00 0.00 H new ATOM 1001 N TYR A 65 10.158 3.711 8.764 1.00 0.00 N ATOM 1002 CA TYR A 65 9.451 4.939 9.050 1.00 0.00 C ATOM 1003 C TYR A 65 8.007 4.634 9.446 1.00 0.00 C ATOM 1004 O TYR A 65 7.474 5.262 10.362 1.00 0.00 O ATOM 1005 CB TYR A 65 9.569 5.939 7.871 1.00 0.00 C ATOM 1006 CG TYR A 65 8.313 6.284 7.075 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.147 6.742 7.681 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.327 6.188 5.692 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.040 7.086 6.935 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.220 6.529 4.937 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.079 6.978 5.564 1.00 0.00 C ATOM 1012 OH TYR A 65 4.979 7.334 4.818 1.00 0.00 O ATOM 0 H TYR A 65 10.466 3.613 7.797 1.00 0.00 H new ATOM 0 HA TYR A 65 9.915 5.433 9.904 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.976 6.870 8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.305 5.541 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.109 6.830 8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.220 5.840 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.145 7.439 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.250 6.444 3.861 1.00 0.00 H new ATOM 0 HH TYR A 65 4.271 6.668 4.941 1.00 0.00 H new ATOM 1022 N ALA A 66 7.338 3.727 8.717 1.00 0.00 N ATOM 1023 CA ALA A 66 5.933 3.468 9.003 1.00 0.00 C ATOM 1024 C ALA A 66 5.740 2.576 10.232 1.00 0.00 C ATOM 1025 O ALA A 66 5.223 3.039 11.251 1.00 0.00 O ATOM 1026 CB ALA A 66 5.305 2.802 7.797 1.00 0.00 C ATOM 0 H ALA A 66 7.736 3.182 7.953 1.00 0.00 H new ATOM 0 HA ALA A 66 5.454 4.423 9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.252 2.603 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.391 3.460 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.819 1.863 7.591 1.00 0.00 H new ATOM 1032 N ASN A 67 6.333 1.380 10.211 1.00 0.00 N ATOM 1033 CA ASN A 67 6.408 0.528 11.403 1.00 0.00 C ATOM 1034 C ASN A 67 7.250 -0.711 11.120 1.00 0.00 C ATOM 1035 O ASN A 67 8.164 -1.063 11.865 1.00 0.00 O ATOM 1036 CB ASN A 67 5.015 0.105 11.883 1.00 0.00 C ATOM 1037 CG ASN A 67 5.075 -0.770 13.126 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.596 -0.358 14.163 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.527 -1.976 13.042 1.00 0.00 N ATOM 0 H ASN A 67 6.769 0.978 9.381 1.00 0.00 H new ATOM 0 HA ASN A 67 6.878 1.114 12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.421 0.994 12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.506 -0.436 11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.529 -2.595 13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.104 -2.284 12.166 1.00 0.00 H new ATOM 1046 N TRP A 68 6.828 -1.407 10.064 1.00 0.00 N ATOM 1047 CA TRP A 68 7.390 -2.688 9.640 1.00 0.00 C ATOM 1048 C TRP A 68 8.890 -2.631 9.377 1.00 0.00 C ATOM 1049 O TRP A 68 9.390 -1.670 8.812 1.00 0.00 O ATOM 1050 CB TRP A 68 6.714 -3.157 8.349 1.00 0.00 C ATOM 1051 CG TRP A 68 5.370 -3.812 8.487 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.054 -5.043 8.004 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.167 -3.298 9.086 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.742 -5.338 8.267 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.176 -4.290 8.934 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.826 -2.115 9.739 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.877 -4.130 9.408 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.535 -1.959 10.211 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.575 -2.962 10.042 1.00 0.00 C ATOM 0 H TRP A 68 6.067 -1.087 9.465 1.00 0.00 H new ATOM 0 HA TRP A 68 7.210 -3.378 10.464 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.606 -2.295 7.690 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.384 -3.858 7.850 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.740 -5.696 7.486 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.265 -6.201 8.006 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.558 -1.332 9.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.135 -4.904 9.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.263 -1.046 10.719 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.576 -2.808 10.421 1.00 0.00 H new ATOM 1070 N PRO A 69 9.604 -3.736 9.648 1.00 0.00 N ATOM 1071 CA PRO A 69 11.016 -3.867 9.272 1.00 0.00 C ATOM 1072 C PRO A 69 11.164 -3.779 7.754 1.00 0.00 C ATOM 1073 O PRO A 69 12.097 -3.165 7.231 1.00 0.00 O ATOM 1074 CB PRO A 69 11.400 -5.265 9.771 1.00 0.00 C ATOM 1075 CG PRO A 69 10.113 -6.011 9.865 1.00 0.00 C ATOM 1076 CD PRO A 69 9.056 -4.992 10.192 1.00 0.00 C ATOM 0 HA PRO A 69 11.646 -3.084 9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.089 -5.754 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.898 -5.215 10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.888 -6.517 8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.164 -6.779 10.637 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.100 -5.244 9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.885 -4.923 11.266 1.00 0.00 H new ATOM 1084 N THR A 70 10.177 -4.348 7.075 1.00 0.00 N ATOM 1085 CA THR A 70 10.068 -4.318 5.628 1.00 0.00 C ATOM 1086 C THR A 70 8.593 -4.175 5.237 1.00 0.00 C ATOM 1087 O THR A 70 7.924 -3.260 5.699 1.00 0.00 O ATOM 1088 CB THR A 70 10.693 -5.577 4.990 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.119 -6.761 5.556 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.201 -5.588 5.195 1.00 0.00 C ATOM 0 H THR A 70 9.415 -4.853 7.527 1.00 0.00 H new ATOM 0 HA THR A 70 10.625 -3.461 5.249 1.00 0.00 H new ATOM 0 HB THR A 70 10.483 -5.556 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.523 -7.551 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.624 -6.483 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.638 -4.703 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.423 -5.586 6.262 1.00 0.00 H new ATOM 1098 N PHE A 71 8.077 -5.063 4.398 1.00 0.00 N ATOM 1099 CA PHE A 71 6.676 -4.989 3.982 1.00 0.00 C ATOM 1100 C PHE A 71 6.143 -6.430 3.853 1.00 0.00 C ATOM 1101 O PHE A 71 6.804 -7.346 4.343 1.00 0.00 O ATOM 1102 CB PHE A 71 6.560 -4.219 2.648 1.00 0.00 C ATOM 1103 CG PHE A 71 7.279 -2.887 2.600 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.661 -2.854 2.503 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.585 -1.679 2.605 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.334 -1.662 2.425 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.270 -0.475 2.524 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.639 -0.482 2.436 1.00 0.00 C ATOM 0 H PHE A 71 8.600 -5.839 3.992 1.00 0.00 H new ATOM 0 HA PHE A 71 6.080 -4.449 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.948 -4.851 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.504 -4.050 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.216 -3.780 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.507 -1.680 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.412 -1.654 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.730 0.460 2.530 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.175 0.454 2.375 1.00 0.00 H new ATOM 1118 N PRO A 72 4.986 -6.716 3.189 1.00 0.00 N ATOM 1119 CA PRO A 72 4.087 -5.733 2.547 1.00 0.00 C ATOM 1120 C PRO A 72 3.380 -4.802 3.529 1.00 0.00 C ATOM 1121 O PRO A 72 3.131 -5.164 4.680 1.00 0.00 O ATOM 1122 CB PRO A 72 3.062 -6.602 1.813 1.00 0.00 C ATOM 1123 CG PRO A 72 3.050 -7.885 2.561 1.00 0.00 C ATOM 1124 CD PRO A 72 4.456 -8.090 3.051 1.00 0.00 C ATOM 0 HA PRO A 72 4.653 -5.061 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.077 -6.136 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.345 -6.754 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.348 -7.845 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.736 -8.708 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.475 -8.623 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.044 -8.676 2.345 1.00 0.00 H new ATOM 1132 N GLN A 73 3.000 -3.626 3.036 1.00 0.00 N ATOM 1133 CA GLN A 73 2.248 -2.654 3.824 1.00 0.00 C ATOM 1134 C GLN A 73 1.223 -1.956 2.935 1.00 0.00 C ATOM 1135 O GLN A 73 1.558 -1.471 1.854 1.00 0.00 O ATOM 1136 CB GLN A 73 3.152 -1.562 4.397 1.00 0.00 C ATOM 1137 CG GLN A 73 4.328 -2.030 5.233 1.00 0.00 C ATOM 1138 CD GLN A 73 5.173 -0.855 5.712 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.161 -1.019 6.409 1.00 0.00 O ATOM 1140 NE2 GLN A 73 4.775 0.354 5.343 1.00 0.00 N ATOM 0 H GLN A 73 3.203 -3.321 2.084 1.00 0.00 H new ATOM 0 HA GLN A 73 1.775 -3.204 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.537 -0.967 3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.541 -0.898 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.964 -2.593 6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.946 -2.709 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.945 0.462 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.299 1.177 5.642 1.00 0.00 H new ATOM 1149 N LEU A 74 0.007 -1.840 3.431 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.052 -1.119 2.735 1.00 0.00 C ATOM 1151 C LEU A 74 -1.046 0.341 3.184 1.00 0.00 C ATOM 1152 O LEU A 74 -0.968 0.617 4.384 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.403 -1.792 3.037 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.630 -1.333 2.228 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.063 0.075 2.593 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.341 -1.428 0.741 1.00 0.00 C ATOM 0 H LEU A 74 -0.279 -2.240 4.325 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.888 -1.146 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.284 -2.865 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.623 -1.642 4.094 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.455 -1.999 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.932 0.355 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.322 0.113 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.247 0.770 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.216 -1.101 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.492 -0.791 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.108 -2.460 0.481 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.215 1.258 2.241 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.332 2.671 2.557 1.00 0.00 C ATOM 1170 C TRP A 75 -2.614 3.257 1.970 1.00 0.00 C ATOM 1171 O TRP A 75 -2.865 3.167 0.771 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.138 3.466 2.029 1.00 0.00 C ATOM 1173 CG TRP A 75 1.175 3.091 2.640 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.953 2.001 2.360 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.839 3.801 3.683 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.086 2.027 3.142 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.028 3.118 3.968 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.544 4.964 4.393 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.920 3.559 4.938 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.431 5.400 5.357 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.605 4.697 5.618 1.00 0.00 C ATOM 0 H TRP A 75 -1.274 1.044 1.245 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.357 2.750 3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.075 3.329 0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.317 4.527 2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.715 1.236 1.636 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.844 1.345 3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.637 5.515 4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.832 3.018 5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.212 6.298 5.916 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.281 5.062 6.377 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.375 3.929 2.810 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.581 4.623 2.378 1.00 0.00 C ATOM 1194 C VAL A 76 -4.375 6.128 2.525 1.00 0.00 C ATOM 1195 O VAL A 76 -4.167 6.602 3.638 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.790 4.186 3.242 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.051 4.923 2.843 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -6.008 2.687 3.152 1.00 0.00 C ATOM 0 H VAL A 76 -3.180 4.012 3.808 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.781 4.373 1.336 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.560 4.443 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.879 4.592 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.903 5.995 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.280 4.713 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.863 2.406 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.200 2.409 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.118 2.168 3.508 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.374 6.868 1.403 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.119 8.324 1.425 1.00 0.00 C ATOM 1210 C ASP A 77 -2.754 8.576 2.068 1.00 0.00 C ATOM 1211 O ASP A 77 -2.488 9.575 2.728 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.249 9.000 2.194 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.252 10.527 2.176 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.395 11.161 2.823 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.138 11.107 1.519 1.00 0.00 O ATOM 0 H ASP A 77 -4.546 6.487 0.473 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.095 8.741 0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.198 8.650 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.204 8.669 3.232 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.899 7.608 1.871 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.563 7.650 2.422 1.00 0.00 C ATOM 1222 C GLY A 78 -0.531 7.417 3.919 1.00 0.00 C ATOM 1223 O GLY A 78 0.401 7.848 4.599 1.00 0.00 O ATOM 0 H GLY A 78 -2.104 6.770 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.051 6.896 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.115 8.619 2.201 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.498 6.659 4.418 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.518 6.269 5.819 1.00 0.00 C ATOM 1229 C GLU A 79 -1.376 4.757 5.941 1.00 0.00 C ATOM 1230 O GLU A 79 -2.044 4.006 5.229 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.801 6.727 6.504 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.995 8.234 6.495 1.00 0.00 C ATOM 1233 CD GLU A 79 -4.218 8.673 7.274 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -4.904 7.807 7.860 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.486 9.892 7.323 1.00 0.00 O ATOM 0 H GLU A 79 -2.281 6.302 3.870 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.678 6.754 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.653 6.257 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.796 6.377 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.111 8.712 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.083 8.578 5.465 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.461 4.318 6.795 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.176 2.901 6.954 1.00 0.00 C ATOM 1244 C LEU A 80 -1.336 2.161 7.620 1.00 0.00 C ATOM 1245 O LEU A 80 -1.859 2.596 8.648 1.00 0.00 O ATOM 1246 CB LEU A 80 1.106 2.711 7.767 1.00 0.00 C ATOM 1247 CG LEU A 80 1.443 1.263 8.095 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.833 0.500 6.841 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.538 1.201 9.141 1.00 0.00 C ATOM 0 H LEU A 80 0.099 4.928 7.391 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.040 2.476 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.938 3.147 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.015 3.269 8.699 1.00 0.00 H new ATOM 0 HG LEU A 80 0.554 0.785 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.069 -0.532 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.004 0.515 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.706 0.968 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.768 0.159 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.432 1.697 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.203 1.702 10.049 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.681 1.010 7.057 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.715 0.151 7.616 1.00 0.00 C ATOM 1263 C VAL A 81 -2.125 -1.217 7.981 1.00 0.00 C ATOM 1264 O VAL A 81 -2.336 -1.724 9.080 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.884 -0.046 6.614 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.948 -0.981 7.175 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.510 1.287 6.238 1.00 0.00 C ATOM 0 H VAL A 81 -1.254 0.648 6.204 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.102 0.636 8.512 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.466 -0.503 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.751 -1.096 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.504 -1.955 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.351 -0.562 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.326 1.120 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.896 1.773 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.757 1.925 5.775 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.413 -1.815 7.026 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.828 -3.141 7.216 1.00 0.00 C ATOM 1279 C GLY A 82 -0.955 -3.966 5.953 1.00 0.00 C ATOM 1280 O GLY A 82 -1.941 -3.823 5.242 1.00 0.00 O ATOM 0 H GLY A 82 -1.228 -1.401 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.223 -3.045 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.327 -3.650 8.041 1.00 0.00 H new ATOM 1284 N GLY A 83 0.124 -4.614 5.534 1.00 0.00 N ATOM 1285 CA GLY A 83 0.133 -5.168 4.190 1.00 0.00 C ATOM 1286 C GLY A 83 -0.488 -6.541 4.016 1.00 0.00 C ATOM 1287 O GLY A 83 -1.378 -6.700 3.194 1.00 0.00 O ATOM 0 H GLY A 83 0.972 -4.765 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.388 -4.473 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.167 -5.216 3.849 1.00 0.00 H new ATOM 1291 N CYS A 84 0.075 -7.569 4.629 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.379 -8.922 4.307 1.00 0.00 C ATOM 1293 C CYS A 84 -1.672 -9.289 5.036 1.00 0.00 C ATOM 1294 O CYS A 84 -2.710 -9.494 4.410 1.00 0.00 O ATOM 1295 CB CYS A 84 0.716 -9.960 4.588 1.00 0.00 C ATOM 1296 SG CYS A 84 0.269 -11.643 4.111 1.00 0.00 S ATOM 0 H CYS A 84 0.818 -7.506 5.325 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.595 -8.932 3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.622 -9.671 4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.953 -9.945 5.652 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.259 -12.257 5.128 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.584 -9.431 6.353 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.730 -9.857 7.164 1.00 0.00 C ATOM 1304 C ASP A 85 -3.777 -8.770 7.258 1.00 0.00 C ATOM 1305 O ASP A 85 -4.976 -9.051 7.280 1.00 0.00 O ATOM 1306 CB ASP A 85 -2.294 -10.235 8.586 1.00 0.00 C ATOM 1307 CG ASP A 85 -1.312 -11.390 8.647 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -0.889 -11.891 7.583 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.944 -11.787 9.770 1.00 0.00 O ATOM 0 H ASP A 85 -0.732 -9.258 6.887 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.156 -10.728 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.843 -9.363 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.178 -10.493 9.169 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.308 -7.557 7.483 1.00 0.00 N ATOM 1315 CA ILE A 86 -4.189 -6.447 7.775 1.00 0.00 C ATOM 1316 C ILE A 86 -5.131 -6.169 6.606 1.00 0.00 C ATOM 1317 O ILE A 86 -6.329 -6.000 6.811 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.419 -5.158 8.154 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.581 -5.342 9.434 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.398 -4.014 8.352 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -1.389 -6.272 9.301 1.00 0.00 C ATOM 0 H ILE A 86 -2.317 -7.317 7.468 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.777 -6.744 8.643 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.736 -4.931 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.224 -4.365 9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.231 -5.722 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.851 -3.109 8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.951 -3.845 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.095 -4.266 9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.867 -6.333 10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.733 -7.265 9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.710 -5.887 8.540 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.602 -6.176 5.383 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.435 -5.977 4.199 1.00 0.00 C ATOM 1335 C VAL A 87 -6.549 -7.010 4.129 1.00 0.00 C ATOM 1336 O VAL A 87 -7.708 -6.653 3.970 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.619 -6.027 2.889 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.529 -5.987 1.673 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.650 -4.868 2.831 1.00 0.00 C ATOM 0 H VAL A 87 -3.611 -6.316 5.187 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.865 -4.980 4.298 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.066 -6.966 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.926 -6.024 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.204 -6.843 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.111 -5.066 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.081 -4.915 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.203 -3.929 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.966 -4.922 3.678 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.200 -8.281 4.292 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.199 -9.343 4.279 1.00 0.00 C ATOM 1351 C ILE A 88 -8.224 -9.143 5.387 1.00 0.00 C ATOM 1352 O ILE A 88 -9.428 -9.220 5.147 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.555 -10.731 4.452 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.609 -11.042 3.290 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.630 -11.804 4.570 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.285 -11.210 1.945 1.00 0.00 C ATOM 0 H ILE A 88 -5.241 -8.599 4.434 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.691 -9.295 3.308 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.970 -10.724 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.875 -10.240 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.061 -11.955 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.159 -12.779 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.260 -11.595 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.242 -11.807 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.534 -11.428 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.998 -12.033 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.809 -10.291 1.684 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.747 -8.921 6.605 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.652 -8.762 7.732 1.00 0.00 C ATOM 1370 C GLU A 89 -9.554 -7.546 7.537 1.00 0.00 C ATOM 1371 O GLU A 89 -10.770 -7.669 7.592 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.885 -8.642 9.049 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.800 -8.546 10.259 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.043 -8.457 11.563 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.294 -9.400 11.886 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.193 -7.446 12.275 1.00 0.00 O ATOM 0 H GLU A 89 -6.756 -8.848 6.834 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.274 -9.656 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.230 -9.506 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.246 -7.760 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.440 -7.670 10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.454 -9.417 10.283 1.00 0.00 H new ATOM 1383 N MET A 90 -8.957 -6.392 7.242 1.00 0.00 N ATOM 1384 CA MET A 90 -9.719 -5.167 6.977 1.00 0.00 C ATOM 1385 C MET A 90 -10.678 -5.353 5.803 1.00 0.00 C ATOM 1386 O MET A 90 -11.813 -4.888 5.846 1.00 0.00 O ATOM 1387 CB MET A 90 -8.783 -3.979 6.736 1.00 0.00 C ATOM 1388 CG MET A 90 -7.994 -3.569 7.967 1.00 0.00 C ATOM 1389 SD MET A 90 -9.063 -3.086 9.336 1.00 0.00 S ATOM 1390 CE MET A 90 -7.847 -2.664 10.580 1.00 0.00 C ATOM 0 H MET A 90 -7.945 -6.277 7.180 1.00 0.00 H new ATOM 0 HA MET A 90 -10.316 -4.952 7.863 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.087 -4.232 5.936 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.370 -3.128 6.391 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.358 -4.397 8.280 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.335 -2.739 7.713 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.354 -2.344 11.491 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.229 -3.536 10.796 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.216 -1.854 10.213 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.249 -6.133 4.822 1.00 0.00 N ATOM 1401 CA TYR A 91 -11.093 -6.534 3.698 1.00 0.00 C ATOM 1402 C TYR A 91 -12.332 -7.273 4.177 1.00 0.00 C ATOM 1403 O TYR A 91 -13.454 -6.915 3.820 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.253 -7.428 2.788 1.00 0.00 C ATOM 1405 CG TYR A 91 -11.006 -8.371 1.884 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.808 -7.929 0.844 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.882 -9.735 2.083 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.462 -8.830 0.026 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.528 -10.638 1.281 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.316 -10.183 0.247 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.959 -11.083 -0.568 1.00 0.00 O ATOM 0 H TYR A 91 -9.302 -6.509 4.780 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.438 -5.652 3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.626 -6.788 2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.584 -8.018 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.923 -6.869 0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.261 -10.096 2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.085 -8.476 -0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.420 -11.698 1.458 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.750 -11.995 -0.277 1.00 0.00 H new ATOM 1421 N GLN A 92 -12.118 -8.281 5.009 1.00 0.00 N ATOM 1422 CA GLN A 92 -13.214 -9.054 5.569 1.00 0.00 C ATOM 1423 C GLN A 92 -14.074 -8.168 6.473 1.00 0.00 C ATOM 1424 O GLN A 92 -15.304 -8.214 6.424 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.676 -10.257 6.344 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.833 -11.197 5.494 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.331 -12.395 6.271 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.615 -12.253 7.263 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.696 -13.585 5.824 1.00 0.00 N ATOM 0 H GLN A 92 -11.192 -8.583 5.312 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.836 -9.424 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.077 -9.901 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.514 -10.813 6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.424 -11.541 4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.982 -10.649 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.290 -13.659 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.383 -14.428 6.305 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.406 -7.319 7.257 1.00 0.00 N ATOM 1439 CA ARG A 93 -14.079 -6.359 8.133 1.00 0.00 C ATOM 1440 C ARG A 93 -14.946 -5.402 7.318 1.00 0.00 C ATOM 1441 O ARG A 93 -15.960 -4.895 7.797 1.00 0.00 O ATOM 1442 CB ARG A 93 -13.053 -5.530 8.911 1.00 0.00 C ATOM 1443 CG ARG A 93 -12.090 -6.339 9.761 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.802 -7.138 10.843 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.610 -6.284 11.712 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.133 -5.286 12.461 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -11.823 -5.062 12.548 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.976 -4.531 13.148 1.00 0.00 N ATOM 0 H ARG A 93 -12.388 -7.278 7.302 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.702 -6.926 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.477 -4.934 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.586 -4.832 9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.528 -7.019 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.367 -5.668 10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.440 -7.889 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.065 -7.672 11.443 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.613 -6.464 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.169 -5.656 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.474 -4.296 13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.978 -4.714 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.623 -3.766 13.723 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.466 -5.079 6.126 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.113 -4.091 5.295 1.00 0.00 C ATOM 1464 C GLY A 94 -14.501 -2.715 5.457 1.00 0.00 C ATOM 1465 O GLY A 94 -14.614 -1.880 4.571 1.00 0.00 O ATOM 0 H GLY A 94 -13.628 -5.492 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.044 -4.396 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.173 -4.047 5.545 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.881 -2.467 6.602 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.287 -1.162 6.889 1.00 0.00 C ATOM 1471 C GLU A 95 -12.224 -0.765 5.859 1.00 0.00 C ATOM 1472 O GLU A 95 -12.007 0.416 5.622 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.682 -1.128 8.295 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.695 -1.347 9.406 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.090 -1.175 10.783 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.568 -0.077 11.071 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.151 -2.124 11.588 1.00 0.00 O ATOM 0 H GLU A 95 -13.774 -3.151 7.351 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.098 -0.436 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.909 -1.893 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.193 -0.166 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.520 -0.645 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.114 -2.350 9.319 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.546 -1.745 5.281 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.478 -1.475 4.309 1.00 0.00 C ATOM 1486 C LEU A 96 -11.018 -0.694 3.123 1.00 0.00 C ATOM 1487 O LEU A 96 -10.560 0.407 2.833 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.865 -2.778 3.804 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.729 -2.611 2.795 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.549 -1.884 3.424 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.301 -3.964 2.258 1.00 0.00 C ATOM 0 H LEU A 96 -11.710 -2.735 5.463 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.713 -0.886 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.491 -3.341 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.651 -3.378 3.346 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.092 -2.006 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.753 -1.777 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.867 -0.897 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.181 -2.457 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.491 -3.831 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.957 -4.590 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.147 -4.444 1.766 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.053 -1.235 2.508 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.743 -0.562 1.411 1.00 0.00 C ATOM 1505 C GLN A 97 -13.384 0.731 1.883 1.00 0.00 C ATOM 1506 O GLN A 97 -13.482 1.693 1.127 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.776 -1.481 0.758 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.702 -2.163 1.743 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.644 -3.151 1.095 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.498 -2.783 0.291 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.472 -4.422 1.424 1.00 0.00 N ATOM 0 H GLN A 97 -12.441 -2.147 2.749 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.999 -0.312 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.373 -0.899 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.255 -2.242 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.105 -2.680 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.285 -1.406 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.750 -4.682 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.061 -5.141 1.005 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.740 0.777 3.160 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.277 1.987 3.762 1.00 0.00 C ATOM 1522 C GLN A 98 -13.231 3.087 3.715 1.00 0.00 C ATOM 1523 O GLN A 98 -13.505 4.210 3.289 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.708 1.734 5.209 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.823 0.715 5.356 1.00 0.00 C ATOM 1526 CD GLN A 98 -16.399 0.675 6.756 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -15.680 0.473 7.728 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.706 0.853 6.866 1.00 0.00 N ATOM 0 H GLN A 98 -13.666 -0.014 3.800 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.156 2.296 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.844 1.395 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.032 2.677 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.618 0.948 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -15.443 -0.273 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.270 1.019 6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.149 0.825 7.784 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.015 2.722 4.093 1.00 0.00 N ATOM 1538 CA LEU A 99 -10.884 3.631 4.042 1.00 0.00 C ATOM 1539 C LEU A 99 -10.577 3.991 2.601 1.00 0.00 C ATOM 1540 O LEU A 99 -10.313 5.153 2.277 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.653 2.972 4.670 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.871 2.383 6.062 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.587 1.757 6.583 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.373 3.446 7.026 1.00 0.00 C ATOM 0 H LEU A 99 -11.787 1.791 4.442 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.135 4.534 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.307 2.179 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.854 3.711 4.727 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.630 1.605 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.761 1.342 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.270 0.962 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.808 2.517 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.521 3.003 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.640 4.249 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.319 3.849 6.663 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.582 2.974 1.747 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.271 3.158 0.341 1.00 0.00 C ATOM 1558 C ILE A 100 -11.271 4.102 -0.306 1.00 0.00 C ATOM 1559 O ILE A 100 -10.877 5.014 -1.008 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.253 1.825 -0.443 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.251 0.843 0.175 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.917 2.071 -1.913 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.833 1.368 0.260 1.00 0.00 C ATOM 0 H ILE A 100 -10.799 2.012 2.008 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.269 3.586 0.299 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.248 1.384 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.589 0.580 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.251 -0.075 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.909 1.121 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.667 2.729 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.935 2.538 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.191 0.610 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.471 1.603 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.815 2.269 0.873 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.562 3.889 -0.056 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.592 4.741 -0.630 1.00 0.00 C ATOM 1577 C LYS A 101 -13.399 6.186 -0.209 1.00 0.00 C ATOM 1578 O LYS A 101 -13.405 7.088 -1.037 1.00 0.00 O ATOM 1579 CB LYS A 101 -14.990 4.298 -0.200 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.048 5.192 -0.801 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.468 4.839 -0.385 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.723 5.111 1.089 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.167 4.969 1.428 1.00 0.00 N ATOM 0 H LYS A 101 -12.914 3.138 0.537 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.502 4.654 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.160 3.267 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.064 4.320 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.843 6.223 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.976 5.143 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.173 5.414 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.654 3.786 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.136 4.420 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.387 6.118 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.306 5.161 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.723 5.646 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.481 4.001 1.213 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.250 6.383 1.088 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.079 7.711 1.662 1.00 0.00 C ATOM 1599 C GLU A 102 -11.948 8.453 0.954 1.00 0.00 C ATOM 1600 O GLU A 102 -12.076 9.624 0.589 1.00 0.00 O ATOM 1601 CB GLU A 102 -12.764 7.563 3.149 1.00 0.00 C ATOM 1602 CG GLU A 102 -12.711 8.871 3.917 1.00 0.00 C ATOM 1603 CD GLU A 102 -14.039 9.602 3.941 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -14.501 10.049 2.872 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -14.637 9.707 5.033 1.00 0.00 O ATOM 0 H GLU A 102 -13.244 5.629 1.775 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.995 8.288 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.517 6.920 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.805 7.055 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.395 8.671 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.956 9.517 3.470 1.00 0.00 H new ATOM 1612 N THR A 103 -10.848 7.748 0.760 1.00 0.00 N ATOM 1613 CA THR A 103 -9.675 8.291 0.103 1.00 0.00 C ATOM 1614 C THR A 103 -9.825 8.369 -1.421 1.00 0.00 C ATOM 1615 O THR A 103 -9.531 9.398 -2.028 1.00 0.00 O ATOM 1616 CB THR A 103 -8.457 7.448 0.470 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.296 7.447 1.894 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.219 7.993 -0.190 1.00 0.00 C ATOM 0 H THR A 103 -10.744 6.777 1.056 1.00 0.00 H new ATOM 0 HA THR A 103 -9.548 9.315 0.454 1.00 0.00 H new ATOM 0 HB THR A 103 -8.610 6.428 0.119 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.918 6.803 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.361 7.379 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.347 7.977 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.052 9.018 0.140 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.266 7.283 -2.035 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.429 7.233 -3.481 1.00 0.00 C ATOM 1628 C ALA A 104 -11.409 8.299 -3.940 1.00 0.00 C ATOM 1629 O ALA A 104 -11.162 8.992 -4.919 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.903 5.858 -3.928 1.00 0.00 C ATOM 0 H ALA A 104 -10.519 6.420 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.458 7.426 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.017 5.847 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.171 5.107 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.862 5.634 -3.460 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.512 8.435 -3.214 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.527 9.427 -3.533 1.00 0.00 C ATOM 1638 C ALA A 105 -12.967 10.844 -3.463 1.00 0.00 C ATOM 1639 O ALA A 105 -13.298 11.685 -4.290 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.729 9.292 -2.611 1.00 0.00 C ATOM 0 H ALA A 105 -12.726 7.866 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.850 9.241 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.473 10.045 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.164 8.299 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.413 9.435 -1.578 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.145 11.134 -2.457 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.606 12.480 -2.324 1.00 0.00 C ATOM 1648 C LYS A 106 -10.538 12.759 -3.387 1.00 0.00 C ATOM 1649 O LYS A 106 -10.448 13.880 -3.889 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.135 12.796 -0.886 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.003 11.943 -0.326 1.00 0.00 C ATOM 1652 CD LYS A 106 -8.636 12.315 -0.893 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.312 13.792 -0.706 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.265 14.198 0.725 1.00 0.00 N ATOM 0 H LYS A 106 -11.845 10.473 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.423 13.176 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.821 13.839 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.993 12.701 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.980 12.047 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.206 10.894 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.868 11.713 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.608 12.071 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.351 14.010 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.061 14.391 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.024 15.208 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.194 14.034 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.544 13.637 1.222 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.784 11.730 -3.793 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.805 11.905 -4.869 1.00 0.00 C ATOM 1670 C TYR A 107 -9.467 11.890 -6.252 1.00 0.00 C ATOM 1671 O TYR A 107 -9.241 12.790 -7.061 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.704 10.833 -4.842 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.649 10.978 -3.768 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.543 11.788 -3.989 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.731 10.297 -2.557 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.554 11.919 -3.039 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -5.743 10.420 -1.609 1.00 0.00 C ATOM 1678 CZ TYR A 107 -4.654 11.233 -1.851 1.00 0.00 C ATOM 1679 OH TYR A 107 -3.655 11.353 -0.909 1.00 0.00 O ATOM 0 H TYR A 107 -9.831 10.789 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.352 12.881 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.179 9.859 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.206 10.830 -5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.457 12.325 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.583 9.663 -2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -3.704 12.558 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -5.819 9.881 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.782 11.258 -1.344 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.335 10.913 -6.496 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.083 10.846 -7.747 1.00 0.00 C ATOM 1691 C LYS A 108 -12.364 11.656 -7.612 1.00 0.00 C ATOM 1692 O LYS A 108 -12.477 12.521 -6.743 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.428 9.388 -8.126 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.269 8.458 -8.503 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.341 8.120 -7.349 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.045 8.902 -7.423 1.00 0.00 C ATOM 1697 NZ LYS A 108 -7.304 8.626 -8.686 1.00 0.00 N ATOM 0 H LYS A 108 -10.538 10.156 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.458 11.259 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.959 8.939 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.123 9.415 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.678 7.533 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.687 8.925 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.842 8.334 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.123 7.052 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.259 9.968 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.417 8.646 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.288 8.792 -8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.455 7.636 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.651 9.257 -9.437 1.00 0.00 H new ATOM 1711 N SER A 109 -13.375 11.243 -8.342 1.00 0.00 N ATOM 1712 CA SER A 109 -14.712 11.769 -8.167 1.00 0.00 C ATOM 1713 C SER A 109 -15.457 10.958 -7.103 1.00 0.00 C ATOM 1714 O SER A 109 -14.846 10.454 -6.167 1.00 0.00 O ATOM 1715 CB SER A 109 -15.427 11.781 -9.523 1.00 0.00 C ATOM 1716 OG SER A 109 -15.332 10.526 -10.177 1.00 0.00 O ATOM 0 H SER A 109 -13.296 10.535 -9.072 1.00 0.00 H new ATOM 0 HA SER A 109 -14.678 12.797 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.476 12.038 -9.379 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.994 12.555 -10.156 1.00 0.00 H new ATOM 0 HG SER A 109 -15.289 9.811 -9.508 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.768 10.876 -7.225 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.610 10.179 -6.246 1.00 0.00 C ATOM 1724 C GLU A 110 -17.436 8.652 -6.286 1.00 0.00 C ATOM 1725 O GLU A 110 -18.417 7.926 -6.464 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.082 10.529 -6.481 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.381 12.017 -6.387 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.114 12.603 -5.013 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -18.734 11.855 -4.090 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -19.301 13.826 -4.846 1.00 0.00 O ATOM 0 H GLU A 110 -17.288 11.287 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.290 10.516 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.378 10.170 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.693 9.998 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.777 12.548 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -20.425 12.187 -6.649 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.202 8.169 -6.156 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.935 6.731 -6.208 1.00 0.00 C ATOM 1739 C GLU A 111 -16.500 6.038 -4.966 1.00 0.00 C ATOM 1740 O GLU A 111 -16.095 6.328 -3.839 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.426 6.478 -6.319 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.781 7.293 -7.418 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.495 7.160 -8.743 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -14.559 6.040 -9.285 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.012 8.178 -9.243 1.00 0.00 O ATOM 0 H GLU A 111 -15.374 8.748 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.426 6.316 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.950 6.716 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.251 5.419 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.764 8.342 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.744 6.978 -7.536 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.499 5.162 -5.150 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.178 4.485 -4.059 1.00 0.00 C ATOM 1754 C PRO A 112 -17.585 3.118 -3.717 1.00 0.00 C ATOM 1755 O PRO A 112 -18.278 2.100 -3.791 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.579 4.306 -4.600 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.415 4.165 -6.076 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.104 4.821 -6.444 1.00 0.00 C ATOM 0 HA PRO A 112 -18.104 5.056 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.057 3.425 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.208 5.161 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.414 3.114 -6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.244 4.639 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.467 4.146 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.261 5.708 -7.057 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.290 3.089 -3.492 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.548 1.834 -3.308 1.00 0.00 C ATOM 1768 C ASP A 113 -16.200 0.911 -2.280 1.00 0.00 C ATOM 1769 O ASP A 113 -16.519 -0.236 -2.584 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.114 2.130 -2.861 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.309 2.862 -3.911 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.731 3.961 -4.320 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.253 2.340 -4.320 1.00 0.00 O ATOM 0 H ASP A 113 -15.711 3.926 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.554 1.325 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.139 2.726 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.615 1.193 -2.616 1.00 0.00 H new