USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 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 13 MET CE :methyl -177:sc= -0.0167 (180deg=-0.035) USER MOD Set 1.2: A 39 MET CE :methyl 147:sc= -2.3! (180deg=-4.29!) USER MOD Set 2.1: A 26 CYS SG : rot -148:sc= -1.62! USER MOD Set 2.2: A 28 CYS SG : rot -145:sc= -0.638 USER MOD Set 2.3: A 48 CYS SG : rot 149:sc= -0.242 USER MOD Set 2.4: A 50 SER OG : rot 103:sc= -0.759 USER MOD Set 2.5: A 51 CYS SG : rot -48:sc= -2.59 USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.76 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.5!) USER MOD Single : A 20 GLN : amide:sc= -4.01! C(o=-4!,f=-5.5!) USER MOD Single : A 21 MET CE :methyl 133:sc= -0.284 (180deg=-2.14) USER MOD Single : A 23 THR OG1 : rot -26:sc= -0.211 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0669 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 56:sc= 1.01 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -53:sc= 0.117 USER MOD Single : A 54 MET CE :methyl -172:sc= 0 (180deg=-0.157) USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= 0.0112 (180deg=-0.282) USER MOD Single : A 67 TYR OH : rot -60:sc= -0.501 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N THR A 4 -14.853 13.145 1.758 1.00 0.00 N ATOM 48 CA THR A 4 -13.518 12.969 1.185 1.00 0.00 C ATOM 49 C THR A 4 -13.251 13.978 0.067 1.00 0.00 C ATOM 50 O THR A 4 -14.116 14.788 -0.271 1.00 0.00 O ATOM 51 CB THR A 4 -13.361 11.546 0.636 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.318 10.669 1.207 1.00 0.00 O ATOM 53 CG2 THR A 4 -11.995 10.956 0.890 1.00 0.00 C ATOM 0 HA THR A 4 -12.793 13.138 1.981 1.00 0.00 H new ATOM 0 HB THR A 4 -13.509 11.640 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.085 11.187 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.951 9.948 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.236 11.577 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.810 10.916 1.963 1.00 0.00 H new ATOM 61 N TYR A 5 -12.045 13.917 -0.505 1.00 0.00 N ATOM 62 CA TYR A 5 -11.660 14.820 -1.591 1.00 0.00 C ATOM 63 C TYR A 5 -11.624 14.090 -2.938 1.00 0.00 C ATOM 64 O TYR A 5 -12.108 14.614 -3.944 1.00 0.00 O ATOM 65 CB TYR A 5 -10.301 15.466 -1.294 1.00 0.00 C ATOM 66 CG TYR A 5 -10.405 16.730 -0.466 1.00 0.00 C ATOM 67 CD1 TYR A 5 -10.888 16.691 0.837 1.00 0.00 C ATOM 68 CD2 TYR A 5 -10.029 17.962 -0.988 1.00 0.00 C ATOM 69 CE1 TYR A 5 -10.991 17.841 1.595 1.00 0.00 C ATOM 70 CE2 TYR A 5 -10.130 19.117 -0.235 1.00 0.00 C ATOM 71 CZ TYR A 5 -10.611 19.052 1.055 1.00 0.00 C ATOM 72 OH TYR A 5 -10.716 20.200 1.807 1.00 0.00 O ATOM 0 H TYR A 5 -11.320 13.252 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.414 15.604 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.672 14.747 -0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.803 15.697 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -11.188 15.745 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.652 18.018 -1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -11.367 17.792 2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.833 20.066 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.406 20.966 1.280 1.00 0.00 H new ATOM 82 N ASP A 6 -11.054 12.883 -2.951 1.00 0.00 N ATOM 83 CA ASP A 6 -10.962 12.083 -4.177 1.00 0.00 C ATOM 84 C ASP A 6 -10.941 10.584 -3.868 1.00 0.00 C ATOM 85 O ASP A 6 -10.906 10.180 -2.703 1.00 0.00 O ATOM 86 CB ASP A 6 -9.706 12.462 -4.971 1.00 0.00 C ATOM 87 CG ASP A 6 -9.888 13.726 -5.789 1.00 0.00 C ATOM 88 OD1 ASP A 6 -10.710 13.714 -6.731 1.00 0.00 O ATOM 89 OD2 ASP A 6 -9.204 14.728 -5.490 1.00 0.00 O ATOM 0 H ASP A 6 -10.649 12.437 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.848 12.298 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.873 12.598 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.440 11.640 -5.635 1.00 0.00 H new ATOM 94 N GLU A 7 -10.952 9.765 -4.925 1.00 0.00 N ATOM 95 CA GLU A 7 -10.924 8.309 -4.783 1.00 0.00 C ATOM 96 C GLU A 7 -9.805 7.711 -5.635 1.00 0.00 C ATOM 97 O GLU A 7 -9.761 7.919 -6.850 1.00 0.00 O ATOM 98 CB GLU A 7 -12.273 7.706 -5.190 1.00 0.00 C ATOM 99 CG GLU A 7 -12.492 6.290 -4.674 1.00 0.00 C ATOM 100 CD GLU A 7 -13.939 5.845 -4.776 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.785 6.403 -4.045 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.225 4.938 -5.585 1.00 0.00 O ATOM 0 H GLU A 7 -10.980 10.090 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.734 8.070 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.074 8.346 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.346 7.702 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.864 5.601 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.172 6.234 -3.634 1.00 0.00 H new ATOM 109 N ILE A 8 -8.901 6.979 -4.988 1.00 0.00 N ATOM 110 CA ILE A 8 -7.771 6.354 -5.676 1.00 0.00 C ATOM 111 C ILE A 8 -7.793 4.836 -5.506 1.00 0.00 C ATOM 112 O ILE A 8 -8.352 4.320 -4.538 1.00 0.00 O ATOM 113 CB ILE A 8 -6.425 6.906 -5.149 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.449 8.438 -5.111 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.260 6.415 -5.999 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.673 9.086 -6.463 1.00 0.00 C ATOM 0 H ILE A 8 -8.929 6.803 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.867 6.595 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.285 6.534 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.236 8.762 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.505 8.796 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.327 6.819 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.224 5.326 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.394 6.749 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.677 10.170 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.873 8.794 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.631 8.760 -6.868 1.00 0.00 H new ATOM 128 N GLU A 9 -7.177 4.127 -6.451 1.00 0.00 N ATOM 129 CA GLU A 9 -7.121 2.665 -6.408 1.00 0.00 C ATOM 130 C GLU A 9 -5.694 2.171 -6.174 1.00 0.00 C ATOM 131 O GLU A 9 -4.726 2.828 -6.565 1.00 0.00 O ATOM 132 CB GLU A 9 -7.676 2.065 -7.708 1.00 0.00 C ATOM 133 CG GLU A 9 -6.876 2.428 -8.955 1.00 0.00 C ATOM 134 CD GLU A 9 -7.752 2.825 -10.130 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.628 2.024 -10.519 1.00 0.00 O ATOM 136 OE2 GLU A 9 -7.557 3.937 -10.665 1.00 0.00 O ATOM 0 H GLU A 9 -6.709 4.541 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.739 2.336 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.704 0.980 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.705 2.400 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.200 3.250 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.256 1.578 -9.242 1.00 0.00 H new ATOM 143 N ILE A 10 -5.575 1.001 -5.538 1.00 0.00 N ATOM 144 CA ILE A 10 -4.269 0.400 -5.253 1.00 0.00 C ATOM 145 C ILE A 10 -3.474 0.162 -6.542 1.00 0.00 C ATOM 146 O ILE A 10 -2.243 0.244 -6.543 1.00 0.00 O ATOM 147 CB ILE A 10 -4.412 -0.933 -4.473 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.034 -1.476 -4.081 1.00 0.00 C ATOM 149 CG2 ILE A 10 -5.180 -1.969 -5.289 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.997 -2.114 -2.708 1.00 0.00 C ATOM 0 H ILE A 10 -6.369 0.451 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.724 1.109 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.980 -0.731 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.719 -2.211 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.310 -0.662 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.265 -2.893 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.177 -1.589 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.648 -2.166 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.989 -2.475 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.280 -1.377 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.695 -2.950 -2.677 1.00 0.00 H new ATOM 162 N GLU A 11 -4.187 -0.121 -7.635 1.00 0.00 N ATOM 163 CA GLU A 11 -3.557 -0.360 -8.935 1.00 0.00 C ATOM 164 C GLU A 11 -2.885 0.912 -9.465 1.00 0.00 C ATOM 165 O GLU A 11 -1.878 0.841 -10.172 1.00 0.00 O ATOM 166 CB GLU A 11 -4.595 -0.857 -9.948 1.00 0.00 C ATOM 167 CG GLU A 11 -5.378 -2.078 -9.484 1.00 0.00 C ATOM 168 CD GLU A 11 -6.693 -2.242 -10.222 1.00 0.00 C ATOM 169 OE1 GLU A 11 -7.703 -1.660 -9.772 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.712 -2.951 -11.251 1.00 0.00 O ATOM 0 H GLU A 11 -5.205 -0.190 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.792 -1.125 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.295 -0.049 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.089 -1.096 -10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.770 -2.971 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.573 -1.995 -8.415 1.00 0.00 H new ATOM 177 N ASP A 12 -3.445 2.073 -9.114 1.00 0.00 N ATOM 178 CA ASP A 12 -2.899 3.358 -9.550 1.00 0.00 C ATOM 179 C ASP A 12 -2.021 3.982 -8.459 1.00 0.00 C ATOM 180 O ASP A 12 -2.031 5.199 -8.257 1.00 0.00 O ATOM 181 CB ASP A 12 -4.040 4.313 -9.929 1.00 0.00 C ATOM 182 CG ASP A 12 -3.654 5.271 -11.042 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.233 4.795 -12.119 1.00 0.00 O ATOM 184 OD2 ASP A 12 -3.778 6.496 -10.839 1.00 0.00 O ATOM 0 H ASP A 12 -4.277 2.148 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.274 3.185 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.908 3.731 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.338 4.884 -9.050 1.00 0.00 H new ATOM 189 N MET A 13 -1.257 3.137 -7.762 1.00 0.00 N ATOM 190 CA MET A 13 -0.368 3.596 -6.696 1.00 0.00 C ATOM 191 C MET A 13 1.049 3.062 -6.904 1.00 0.00 C ATOM 192 O MET A 13 1.245 2.040 -7.566 1.00 0.00 O ATOM 193 CB MET A 13 -0.899 3.151 -5.330 1.00 0.00 C ATOM 194 CG MET A 13 -1.689 4.230 -4.607 1.00 0.00 C ATOM 195 SD MET A 13 -3.076 3.565 -3.667 1.00 0.00 S ATOM 196 CE MET A 13 -2.233 2.917 -2.225 1.00 0.00 C ATOM 0 H MET A 13 -1.238 2.129 -7.919 1.00 0.00 H new ATOM 0 HA MET A 13 -0.336 4.685 -6.726 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.533 2.275 -5.463 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.060 2.845 -4.705 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.025 4.771 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.061 4.951 -5.335 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.954 2.425 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.477 2.197 -2.538 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.755 3.734 -1.685 1.00 0.00 H new ATOM 206 N THR A 14 2.036 3.758 -6.336 1.00 0.00 N ATOM 207 CA THR A 14 3.433 3.347 -6.466 1.00 0.00 C ATOM 208 C THR A 14 3.814 2.354 -5.371 1.00 0.00 C ATOM 209 O THR A 14 3.948 2.722 -4.205 1.00 0.00 O ATOM 210 CB THR A 14 4.364 4.566 -6.418 1.00 0.00 C ATOM 211 OG1 THR A 14 3.881 5.606 -7.253 1.00 0.00 O ATOM 212 CG2 THR A 14 5.782 4.252 -6.850 1.00 0.00 C ATOM 0 H THR A 14 1.894 4.604 -5.785 1.00 0.00 H new ATOM 0 HA THR A 14 3.548 2.857 -7.433 1.00 0.00 H new ATOM 0 HB THR A 14 4.377 4.876 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.489 6.373 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.388 5.156 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.203 3.491 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.777 3.883 -7.876 1.00 0.00 H new ATOM 220 N PHE A 15 3.991 1.094 -5.758 1.00 0.00 N ATOM 221 CA PHE A 15 4.363 0.045 -4.810 1.00 0.00 C ATOM 222 C PHE A 15 5.878 0.006 -4.612 1.00 0.00 C ATOM 223 O PHE A 15 6.643 0.128 -5.571 1.00 0.00 O ATOM 224 CB PHE A 15 3.852 -1.324 -5.283 1.00 0.00 C ATOM 225 CG PHE A 15 4.212 -1.664 -6.706 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.444 -2.222 -7.014 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.316 -1.422 -7.736 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.773 -2.532 -8.320 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.641 -1.729 -9.044 1.00 0.00 C ATOM 230 CZ PHE A 15 4.871 -2.284 -9.336 1.00 0.00 C ATOM 0 H PHE A 15 3.883 0.773 -6.720 1.00 0.00 H new ATOM 0 HA PHE A 15 3.895 0.276 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.253 -2.095 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.767 -1.349 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.154 -2.416 -6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.352 -0.988 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.735 -2.968 -8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.934 -1.535 -9.837 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.127 -2.524 -10.357 1.00 0.00 H new ATOM 240 N GLU A 16 6.300 -0.163 -3.360 1.00 0.00 N ATOM 241 CA GLU A 16 7.720 -0.223 -3.022 1.00 0.00 C ATOM 242 C GLU A 16 8.142 -1.666 -2.748 1.00 0.00 C ATOM 243 O GLU A 16 7.955 -2.176 -1.640 1.00 0.00 O ATOM 244 CB GLU A 16 8.019 0.658 -1.803 1.00 0.00 C ATOM 245 CG GLU A 16 8.057 2.144 -2.125 1.00 0.00 C ATOM 246 CD GLU A 16 8.770 2.957 -1.064 1.00 0.00 C ATOM 247 OE1 GLU A 16 10.018 2.926 -1.028 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.080 3.626 -0.268 1.00 0.00 O ATOM 0 H GLU A 16 5.675 -0.261 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 16 8.292 0.152 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.261 0.479 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.977 0.362 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.554 2.291 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.037 2.513 -2.235 1.00 0.00 H new ATOM 255 N PRO A 17 8.706 -2.351 -3.766 1.00 0.00 N ATOM 256 CA PRO A 17 9.146 -3.747 -3.639 1.00 0.00 C ATOM 257 C PRO A 17 10.402 -3.895 -2.776 1.00 0.00 C ATOM 258 O PRO A 17 11.455 -4.329 -3.251 1.00 0.00 O ATOM 259 CB PRO A 17 9.416 -4.163 -5.089 1.00 0.00 C ATOM 260 CG PRO A 17 9.760 -2.895 -5.789 1.00 0.00 C ATOM 261 CD PRO A 17 8.945 -1.821 -5.124 1.00 0.00 C ATOM 0 HA PRO A 17 8.403 -4.368 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.233 -4.882 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.541 -4.636 -5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.826 -2.682 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.527 -2.960 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.481 -0.872 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.010 -1.642 -5.654 1.00 0.00 H new ATOM 269 N GLU A 18 10.271 -3.537 -1.499 1.00 0.00 N ATOM 270 CA GLU A 18 11.373 -3.628 -0.544 1.00 0.00 C ATOM 271 C GLU A 18 10.898 -4.239 0.774 1.00 0.00 C ATOM 272 O GLU A 18 11.465 -5.223 1.250 1.00 0.00 O ATOM 273 CB GLU A 18 11.993 -2.249 -0.294 1.00 0.00 C ATOM 274 CG GLU A 18 10.985 -1.145 -0.003 1.00 0.00 C ATOM 275 CD GLU A 18 11.606 0.236 -0.097 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.053 0.611 -1.201 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.646 0.941 0.934 1.00 0.00 O ATOM 0 H GLU A 18 9.404 -3.178 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 18 12.136 -4.277 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.684 -2.323 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.581 -1.966 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.156 -1.217 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.570 -1.288 0.995 1.00 0.00 H new ATOM 284 N ASN A 19 9.845 -3.653 1.352 1.00 0.00 N ATOM 285 CA ASN A 19 9.277 -4.138 2.609 1.00 0.00 C ATOM 286 C ASN A 19 7.749 -4.239 2.519 1.00 0.00 C ATOM 287 O ASN A 19 7.051 -4.031 3.512 1.00 0.00 O ATOM 288 CB ASN A 19 9.672 -3.213 3.773 1.00 0.00 C ATOM 289 CG ASN A 19 11.058 -3.503 4.327 1.00 0.00 C ATOM 290 OD1 ASN A 19 11.651 -4.544 4.045 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.583 -2.581 5.131 1.00 0.00 N ATOM 0 H ASN A 19 9.368 -2.838 0.965 1.00 0.00 H new ATOM 0 HA ASN A 19 9.680 -5.134 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.633 -2.178 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.939 -3.315 4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.508 -2.725 5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.061 -1.731 5.341 1.00 0.00 H new ATOM 298 N GLN A 20 7.232 -4.562 1.325 1.00 0.00 N ATOM 299 CA GLN A 20 5.786 -4.691 1.111 1.00 0.00 C ATOM 300 C GLN A 20 5.048 -3.399 1.494 1.00 0.00 C ATOM 301 O GLN A 20 4.059 -3.431 2.232 1.00 0.00 O ATOM 302 CB GLN A 20 5.237 -5.878 1.917 1.00 0.00 C ATOM 303 CG GLN A 20 5.325 -7.212 1.191 1.00 0.00 C ATOM 304 CD GLN A 20 4.546 -8.307 1.896 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.382 -8.551 1.586 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.185 -8.970 2.854 1.00 0.00 N ATOM 0 H GLN A 20 7.795 -4.739 0.493 1.00 0.00 H new ATOM 0 HA GLN A 20 5.616 -4.871 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.785 -5.950 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.195 -5.682 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.945 -7.096 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.370 -7.509 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.152 -8.735 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.709 -9.714 3.364 1.00 0.00 H new ATOM 315 N MET A 21 5.529 -2.262 0.986 1.00 0.00 N ATOM 316 CA MET A 21 4.912 -0.969 1.280 1.00 0.00 C ATOM 317 C MET A 21 4.488 -0.255 -0.004 1.00 0.00 C ATOM 318 O MET A 21 5.016 -0.531 -1.081 1.00 0.00 O ATOM 319 CB MET A 21 5.881 -0.089 2.080 1.00 0.00 C ATOM 320 CG MET A 21 5.294 1.254 2.491 1.00 0.00 C ATOM 321 SD MET A 21 6.353 2.161 3.636 1.00 0.00 S ATOM 322 CE MET A 21 6.939 3.483 2.580 1.00 0.00 C ATOM 0 H MET A 21 6.341 -2.211 0.371 1.00 0.00 H new ATOM 0 HA MET A 21 4.018 -1.149 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.192 -0.628 2.975 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.777 0.084 1.484 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.127 1.860 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.320 1.093 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.847 4.435 3.104 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.984 3.308 2.325 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.343 3.512 1.668 1.00 0.00 H new ATOM 332 N PHE A 22 3.529 0.661 0.123 1.00 0.00 N ATOM 333 CA PHE A 22 3.026 1.420 -1.020 1.00 0.00 C ATOM 334 C PHE A 22 3.214 2.919 -0.802 1.00 0.00 C ATOM 335 O PHE A 22 3.450 3.368 0.321 1.00 0.00 O ATOM 336 CB PHE A 22 1.541 1.118 -1.248 1.00 0.00 C ATOM 337 CG PHE A 22 1.286 -0.040 -2.174 1.00 0.00 C ATOM 338 CD1 PHE A 22 1.790 -1.300 -1.889 1.00 0.00 C ATOM 339 CD2 PHE A 22 0.537 0.132 -3.328 1.00 0.00 C ATOM 340 CE1 PHE A 22 1.551 -2.365 -2.737 1.00 0.00 C ATOM 341 CE2 PHE A 22 0.296 -0.929 -4.179 1.00 0.00 C ATOM 342 CZ PHE A 22 0.804 -2.180 -3.884 1.00 0.00 C ATOM 0 H PHE A 22 3.084 0.896 1.010 1.00 0.00 H new ATOM 0 HA PHE A 22 3.595 1.119 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.071 0.911 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.058 2.007 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.376 -1.451 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.137 1.107 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.948 -3.342 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.289 -0.781 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.617 -3.011 -4.549 1.00 0.00 H new ATOM 352 N THR A 23 3.097 3.688 -1.884 1.00 0.00 N ATOM 353 CA THR A 23 3.242 5.140 -1.817 1.00 0.00 C ATOM 354 C THR A 23 2.297 5.831 -2.792 1.00 0.00 C ATOM 355 O THR A 23 1.954 5.282 -3.843 1.00 0.00 O ATOM 356 CB THR A 23 4.685 5.571 -2.112 1.00 0.00 C ATOM 357 OG1 THR A 23 5.171 4.980 -3.308 1.00 0.00 O ATOM 358 CG2 THR A 23 5.650 5.230 -1.000 1.00 0.00 C ATOM 0 H THR A 23 2.902 3.328 -2.818 1.00 0.00 H new ATOM 0 HA THR A 23 2.987 5.440 -0.801 1.00 0.00 H new ATOM 0 HB THR A 23 4.637 6.655 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.699 4.137 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.652 5.562 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.339 5.730 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.656 4.152 -0.841 1.00 0.00 H new ATOM 366 N TYR A 24 1.892 7.046 -2.438 1.00 0.00 N ATOM 367 CA TYR A 24 1.000 7.835 -3.276 1.00 0.00 C ATOM 368 C TYR A 24 1.346 9.318 -3.166 1.00 0.00 C ATOM 369 O TYR A 24 0.900 9.997 -2.241 1.00 0.00 O ATOM 370 CB TYR A 24 -0.465 7.605 -2.883 1.00 0.00 C ATOM 371 CG TYR A 24 -1.442 8.396 -3.729 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.712 8.030 -5.043 1.00 0.00 C ATOM 373 CD2 TYR A 24 -2.083 9.518 -3.216 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.590 8.760 -5.821 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.965 10.251 -3.987 1.00 0.00 C ATOM 376 CZ TYR A 24 -3.214 9.869 -5.290 1.00 0.00 C ATOM 377 OH TYR A 24 -4.086 10.601 -6.066 1.00 0.00 O ATOM 0 H TYR A 24 2.170 7.507 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 24 1.132 7.515 -4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.695 6.543 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.600 7.875 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.227 7.161 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.888 9.822 -2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.787 8.463 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.457 11.118 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.441 11.349 -5.542 1.00 0.00 H new ATOM 387 N PRO A 25 2.155 9.837 -4.112 1.00 0.00 N ATOM 388 CA PRO A 25 2.563 11.249 -4.121 1.00 0.00 C ATOM 389 C PRO A 25 1.358 12.189 -4.099 1.00 0.00 C ATOM 390 O PRO A 25 0.780 12.504 -5.143 1.00 0.00 O ATOM 391 CB PRO A 25 3.346 11.389 -5.434 1.00 0.00 C ATOM 392 CG PRO A 25 3.811 10.010 -5.749 1.00 0.00 C ATOM 393 CD PRO A 25 2.737 9.090 -5.241 1.00 0.00 C ATOM 0 HA PRO A 25 3.149 11.517 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.716 11.785 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.187 12.074 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.960 9.883 -6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.766 9.800 -5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.993 8.878 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.147 8.132 -4.921 1.00 0.00 H new ATOM 401 N CYS A 26 0.978 12.619 -2.896 1.00 0.00 N ATOM 402 CA CYS A 26 -0.165 13.509 -2.719 1.00 0.00 C ATOM 403 C CYS A 26 0.079 14.858 -3.393 1.00 0.00 C ATOM 404 O CYS A 26 1.175 15.417 -3.303 1.00 0.00 O ATOM 405 CB CYS A 26 -0.455 13.713 -1.227 1.00 0.00 C ATOM 406 SG CYS A 26 -1.982 14.646 -0.881 1.00 0.00 S ATOM 0 H CYS A 26 1.448 12.363 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.030 13.043 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.522 12.738 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.387 14.236 -0.773 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.831 15.336 0.211 1.00 0.00 H new ATOM 411 N PRO A 27 -0.949 15.401 -4.079 1.00 0.00 N ATOM 412 CA PRO A 27 -0.853 16.694 -4.770 1.00 0.00 C ATOM 413 C PRO A 27 -0.397 17.829 -3.847 1.00 0.00 C ATOM 414 O PRO A 27 0.090 18.859 -4.320 1.00 0.00 O ATOM 415 CB PRO A 27 -2.282 16.954 -5.274 1.00 0.00 C ATOM 416 CG PRO A 27 -3.150 15.981 -4.548 1.00 0.00 C ATOM 417 CD PRO A 27 -2.282 14.800 -4.233 1.00 0.00 C ATOM 0 HA PRO A 27 -0.108 16.662 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.588 17.980 -5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.349 16.810 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.552 16.423 -3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.001 15.686 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.604 14.294 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.301 14.060 -5.033 1.00 0.00 H new ATOM 425 N CYS A 28 -0.552 17.637 -2.530 1.00 0.00 N ATOM 426 CA CYS A 28 -0.147 18.647 -1.550 1.00 0.00 C ATOM 427 C CYS A 28 1.329 19.032 -1.720 1.00 0.00 C ATOM 428 O CYS A 28 1.722 20.163 -1.419 1.00 0.00 O ATOM 429 CB CYS A 28 -0.394 18.134 -0.125 1.00 0.00 C ATOM 430 SG CYS A 28 0.853 16.947 0.476 1.00 0.00 S ATOM 0 H CYS A 28 -0.954 16.793 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.751 19.538 -1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.424 18.986 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.375 17.661 -0.087 1.00 0.00 H new ATOM 0 HG CYS A 28 0.279 16.064 1.238 1.00 0.00 H new ATOM 435 N GLY A 29 2.139 18.086 -2.208 1.00 0.00 N ATOM 436 CA GLY A 29 3.557 18.342 -2.414 1.00 0.00 C ATOM 437 C GLY A 29 4.469 17.334 -1.721 1.00 0.00 C ATOM 438 O GLY A 29 5.690 17.499 -1.734 1.00 0.00 O ATOM 0 H GLY A 29 1.835 17.147 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.767 18.333 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.793 19.342 -2.051 1.00 0.00 H new ATOM 442 N ASP A 30 3.888 16.293 -1.115 1.00 0.00 N ATOM 443 CA ASP A 30 4.675 15.275 -0.420 1.00 0.00 C ATOM 444 C ASP A 30 4.333 13.865 -0.923 1.00 0.00 C ATOM 445 O ASP A 30 3.680 13.709 -1.958 1.00 0.00 O ATOM 446 CB ASP A 30 4.441 15.380 1.089 1.00 0.00 C ATOM 447 CG ASP A 30 5.711 15.188 1.892 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.588 16.076 1.840 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.826 14.150 2.577 1.00 0.00 O ATOM 0 H ASP A 30 2.880 16.136 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 30 5.730 15.452 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.014 16.356 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.708 14.632 1.392 1.00 0.00 H new ATOM 454 N ARG A 31 4.784 12.840 -0.190 1.00 0.00 N ATOM 455 CA ARG A 31 4.531 11.448 -0.570 1.00 0.00 C ATOM 456 C ARG A 31 3.779 10.695 0.528 1.00 0.00 C ATOM 457 O ARG A 31 3.931 10.992 1.715 1.00 0.00 O ATOM 458 CB ARG A 31 5.851 10.732 -0.869 1.00 0.00 C ATOM 459 CG ARG A 31 5.767 9.748 -2.027 1.00 0.00 C ATOM 460 CD ARG A 31 6.774 8.617 -1.877 1.00 0.00 C ATOM 461 NE ARG A 31 8.154 9.087 -2.010 1.00 0.00 N ATOM 462 CZ ARG A 31 8.747 9.356 -3.178 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.084 9.209 -4.323 1.00 0.00 N ATOM 464 NH2 ARG A 31 10.008 9.777 -3.199 1.00 0.00 N ATOM 0 H ARG A 31 5.325 12.950 0.668 1.00 0.00 H new ATOM 0 HA ARG A 31 3.909 11.459 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.615 11.477 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.176 10.200 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.760 9.334 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.946 10.273 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.645 8.144 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.577 7.854 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 31 8.698 9.218 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.116 8.889 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.544 9.417 -5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.521 9.894 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.462 9.983 -4.089 1.00 0.00 H new ATOM 478 N PHE A 32 2.979 9.708 0.118 1.00 0.00 N ATOM 479 CA PHE A 32 2.209 8.894 1.057 1.00 0.00 C ATOM 480 C PHE A 32 2.855 7.521 1.245 1.00 0.00 C ATOM 481 O PHE A 32 3.673 7.097 0.428 1.00 0.00 O ATOM 482 CB PHE A 32 0.767 8.726 0.561 1.00 0.00 C ATOM 483 CG PHE A 32 -0.187 8.281 1.634 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.505 9.126 2.684 1.00 0.00 C ATOM 485 CD2 PHE A 32 -0.757 7.018 1.598 1.00 0.00 C ATOM 486 CE1 PHE A 32 -1.373 8.721 3.678 1.00 0.00 C ATOM 487 CE2 PHE A 32 -1.628 6.608 2.590 1.00 0.00 C ATOM 488 CZ PHE A 32 -1.936 7.461 3.632 1.00 0.00 C ATOM 0 H PHE A 32 2.848 9.454 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 32 2.198 9.408 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.421 9.673 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.753 7.999 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.069 10.113 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.518 6.347 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.612 9.390 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.067 5.622 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.616 7.143 4.409 1.00 0.00 H new ATOM 498 N GLN A 33 2.479 6.830 2.323 1.00 0.00 N ATOM 499 CA GLN A 33 3.017 5.501 2.613 1.00 0.00 C ATOM 500 C GLN A 33 1.992 4.650 3.363 1.00 0.00 C ATOM 501 O GLN A 33 1.615 4.971 4.492 1.00 0.00 O ATOM 502 CB GLN A 33 4.314 5.607 3.427 1.00 0.00 C ATOM 503 CG GLN A 33 4.208 6.511 4.647 1.00 0.00 C ATOM 504 CD GLN A 33 5.479 7.302 4.900 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.566 6.735 5.004 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.348 8.621 5.003 1.00 0.00 N ATOM 0 H GLN A 33 1.804 7.169 3.009 1.00 0.00 H new ATOM 0 HA GLN A 33 3.240 5.015 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.610 4.609 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.108 5.980 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.376 7.202 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.980 5.906 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.428 9.051 4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.168 9.203 5.175 1.00 0.00 H new ATOM 515 N ILE A 34 1.544 3.566 2.728 1.00 0.00 N ATOM 516 CA ILE A 34 0.562 2.670 3.338 1.00 0.00 C ATOM 517 C ILE A 34 1.013 1.210 3.239 1.00 0.00 C ATOM 518 O ILE A 34 1.364 0.728 2.159 1.00 0.00 O ATOM 519 CB ILE A 34 -0.840 2.840 2.697 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.883 1.992 3.438 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.813 2.488 1.213 1.00 0.00 C ATOM 522 CD1 ILE A 34 -3.244 2.652 3.540 1.00 0.00 C ATOM 0 H ILE A 34 1.845 3.288 1.794 1.00 0.00 H new ATOM 0 HA ILE A 34 0.489 2.942 4.391 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.124 3.888 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.990 1.035 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.517 1.777 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.809 2.616 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.112 3.144 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.498 1.452 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.928 1.994 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.151 3.595 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.632 2.842 2.539 1.00 0.00 H new ATOM 534 N TYR A 35 1.007 0.518 4.379 1.00 0.00 N ATOM 535 CA TYR A 35 1.419 -0.884 4.439 1.00 0.00 C ATOM 536 C TYR A 35 0.294 -1.807 3.974 1.00 0.00 C ATOM 537 O TYR A 35 -0.809 -1.778 4.525 1.00 0.00 O ATOM 538 CB TYR A 35 1.836 -1.253 5.870 1.00 0.00 C ATOM 539 CG TYR A 35 3.080 -2.113 5.950 1.00 0.00 C ATOM 540 CD1 TYR A 35 3.260 -3.196 5.097 1.00 0.00 C ATOM 541 CD2 TYR A 35 4.077 -1.840 6.880 1.00 0.00 C ATOM 542 CE1 TYR A 35 4.393 -3.980 5.168 1.00 0.00 C ATOM 543 CE2 TYR A 35 5.215 -2.621 6.956 1.00 0.00 C ATOM 544 CZ TYR A 35 5.368 -3.688 6.098 1.00 0.00 C ATOM 545 OH TYR A 35 6.501 -4.466 6.170 1.00 0.00 O ATOM 0 H TYR A 35 0.720 0.908 5.277 1.00 0.00 H new ATOM 0 HA TYR A 35 2.270 -1.014 3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.004 -0.337 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.012 -1.779 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.500 -3.428 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.960 -1.004 7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.516 -4.818 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.980 -2.396 7.684 1.00 0.00 H new ATOM 0 HH TYR A 35 6.936 -4.493 5.292 1.00 0.00 H new ATOM 555 N LEU A 36 0.582 -2.632 2.963 1.00 0.00 N ATOM 556 CA LEU A 36 -0.412 -3.571 2.434 1.00 0.00 C ATOM 557 C LEU A 36 -0.858 -4.563 3.512 1.00 0.00 C ATOM 558 O LEU A 36 -2.039 -4.911 3.591 1.00 0.00 O ATOM 559 CB LEU A 36 0.138 -4.327 1.215 1.00 0.00 C ATOM 560 CG LEU A 36 1.464 -5.068 1.434 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.218 -6.495 1.906 1.00 0.00 C ATOM 562 CD2 LEU A 36 2.288 -5.067 0.155 1.00 0.00 C ATOM 0 H LEU A 36 1.489 -2.669 2.497 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.278 -2.990 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.611 -5.049 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.271 -3.616 0.399 1.00 0.00 H new ATOM 0 HG LEU A 36 2.022 -4.545 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.173 -6.999 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.667 -6.477 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.637 -7.031 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.226 -5.596 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.730 -5.565 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.500 -4.039 -0.140 1.00 0.00 H new ATOM 574 N ASP A 37 0.090 -5.006 4.344 1.00 0.00 N ATOM 575 CA ASP A 37 -0.206 -5.949 5.424 1.00 0.00 C ATOM 576 C ASP A 37 -1.298 -5.398 6.342 1.00 0.00 C ATOM 577 O ASP A 37 -2.247 -6.107 6.684 1.00 0.00 O ATOM 578 CB ASP A 37 1.058 -6.252 6.235 1.00 0.00 C ATOM 579 CG ASP A 37 0.996 -7.602 6.926 1.00 0.00 C ATOM 580 OD1 ASP A 37 1.391 -8.609 6.300 1.00 0.00 O ATOM 581 OD2 ASP A 37 0.554 -7.652 8.093 1.00 0.00 O ATOM 0 H ASP A 37 1.069 -4.726 4.289 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.565 -6.875 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.925 -6.225 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.202 -5.471 6.982 1.00 0.00 H new ATOM 586 N ASP A 38 -1.162 -4.127 6.728 1.00 0.00 N ATOM 587 CA ASP A 38 -2.143 -3.475 7.596 1.00 0.00 C ATOM 588 C ASP A 38 -3.485 -3.338 6.879 1.00 0.00 C ATOM 589 O ASP A 38 -4.532 -3.637 7.449 1.00 0.00 O ATOM 590 CB ASP A 38 -1.642 -2.095 8.031 1.00 0.00 C ATOM 591 CG ASP A 38 -0.695 -2.166 9.212 1.00 0.00 C ATOM 592 OD1 ASP A 38 -1.179 -2.152 10.364 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.531 -2.236 8.985 1.00 0.00 O ATOM 0 H ASP A 38 -0.382 -3.530 6.453 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.279 -4.096 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.137 -1.615 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.495 -1.468 8.291 1.00 0.00 H new ATOM 598 N MET A 39 -3.442 -2.892 5.620 1.00 0.00 N ATOM 599 CA MET A 39 -4.656 -2.720 4.814 1.00 0.00 C ATOM 600 C MET A 39 -5.518 -3.989 4.802 1.00 0.00 C ATOM 601 O MET A 39 -6.733 -3.914 4.606 1.00 0.00 O ATOM 602 CB MET A 39 -4.297 -2.326 3.377 1.00 0.00 C ATOM 603 CG MET A 39 -4.175 -0.824 3.165 1.00 0.00 C ATOM 604 SD MET A 39 -4.827 -0.290 1.570 1.00 0.00 S ATOM 605 CE MET A 39 -3.327 0.232 0.742 1.00 0.00 C ATOM 0 H MET A 39 -2.579 -2.643 5.136 1.00 0.00 H new ATOM 0 HA MET A 39 -5.237 -1.921 5.274 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.354 -2.800 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.057 -2.718 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.706 -0.304 3.962 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.127 -0.535 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.412 0.031 -0.326 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.177 1.300 0.900 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.477 -0.317 1.148 1.00 0.00 H new ATOM 615 N PHE A 40 -4.886 -5.151 5.014 1.00 0.00 N ATOM 616 CA PHE A 40 -5.597 -6.434 5.032 1.00 0.00 C ATOM 617 C PHE A 40 -6.768 -6.416 6.024 1.00 0.00 C ATOM 618 O PHE A 40 -7.811 -7.024 5.771 1.00 0.00 O ATOM 619 CB PHE A 40 -4.631 -7.573 5.384 1.00 0.00 C ATOM 620 CG PHE A 40 -4.887 -8.848 4.624 1.00 0.00 C ATOM 621 CD1 PHE A 40 -6.073 -9.548 4.789 1.00 0.00 C ATOM 622 CD2 PHE A 40 -3.937 -9.346 3.746 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.306 -10.720 4.091 1.00 0.00 C ATOM 624 CE2 PHE A 40 -4.165 -10.517 3.047 1.00 0.00 C ATOM 625 CZ PHE A 40 -5.350 -11.204 3.219 1.00 0.00 C ATOM 0 H PHE A 40 -3.882 -5.228 5.176 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.003 -6.600 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.610 -7.244 5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -4.701 -7.778 6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.823 -9.174 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.008 -8.813 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.234 -11.256 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.416 -10.894 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.529 -12.118 2.673 1.00 0.00 H new ATOM 635 N GLU A 41 -6.590 -5.715 7.150 1.00 0.00 N ATOM 636 CA GLU A 41 -7.631 -5.614 8.174 1.00 0.00 C ATOM 637 C GLU A 41 -8.923 -5.013 7.607 1.00 0.00 C ATOM 638 O GLU A 41 -10.022 -5.351 8.054 1.00 0.00 O ATOM 639 CB GLU A 41 -7.126 -4.771 9.355 1.00 0.00 C ATOM 640 CG GLU A 41 -6.976 -3.285 9.042 1.00 0.00 C ATOM 641 CD GLU A 41 -6.036 -2.568 9.997 1.00 0.00 C ATOM 642 OE1 GLU A 41 -4.964 -3.126 10.317 1.00 0.00 O ATOM 643 OE2 GLU A 41 -6.371 -1.442 10.420 1.00 0.00 O ATOM 0 H GLU A 41 -5.733 -5.209 7.373 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.859 -6.622 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.815 -4.887 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.162 -5.162 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.607 -3.170 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.956 -2.810 9.082 1.00 0.00 H new ATOM 650 N GLY A 42 -8.781 -4.124 6.621 1.00 0.00 N ATOM 651 CA GLY A 42 -9.936 -3.492 6.004 1.00 0.00 C ATOM 652 C GLY A 42 -9.863 -1.972 6.036 1.00 0.00 C ATOM 653 O GLY A 42 -10.847 -1.308 6.368 1.00 0.00 O ATOM 0 H GLY A 42 -7.882 -3.831 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.018 -3.826 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.841 -3.819 6.517 1.00 0.00 H new ATOM 657 N GLU A 43 -8.696 -1.422 5.688 1.00 0.00 N ATOM 658 CA GLU A 43 -8.498 0.029 5.678 1.00 0.00 C ATOM 659 C GLU A 43 -8.990 0.638 4.364 1.00 0.00 C ATOM 660 O GLU A 43 -8.686 0.132 3.285 1.00 0.00 O ATOM 661 CB GLU A 43 -7.019 0.366 5.895 1.00 0.00 C ATOM 662 CG GLU A 43 -6.796 1.653 6.674 1.00 0.00 C ATOM 663 CD GLU A 43 -6.337 1.401 8.099 1.00 0.00 C ATOM 664 OE1 GLU A 43 -5.199 0.918 8.281 1.00 0.00 O ATOM 665 OE2 GLU A 43 -7.117 1.685 9.033 1.00 0.00 O ATOM 0 H GLU A 43 -7.875 -1.960 5.410 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.081 0.457 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.541 -0.458 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.528 0.448 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.052 2.261 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.722 2.228 6.691 1.00 0.00 H new ATOM 672 N LYS A 44 -9.751 1.729 4.467 1.00 0.00 N ATOM 673 CA LYS A 44 -10.291 2.412 3.288 1.00 0.00 C ATOM 674 C LYS A 44 -9.936 3.900 3.294 1.00 0.00 C ATOM 675 O LYS A 44 -9.517 4.450 2.274 1.00 0.00 O ATOM 676 CB LYS A 44 -11.815 2.231 3.212 1.00 0.00 C ATOM 677 CG LYS A 44 -12.576 2.836 4.386 1.00 0.00 C ATOM 678 CD LYS A 44 -13.953 2.209 4.547 1.00 0.00 C ATOM 679 CE LYS A 44 -13.875 0.861 5.253 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.055 0.986 6.728 1.00 0.00 N ATOM 0 H LYS A 44 -10.008 2.160 5.355 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.836 1.960 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.177 2.681 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.041 1.166 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.003 2.696 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.681 3.911 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.596 2.882 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.412 2.081 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.640 0.197 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.910 0.399 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.994 0.045 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.310 1.598 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.986 1.403 6.930 1.00 0.00 H new ATOM 694 N VAL A 45 -10.104 4.546 4.450 1.00 0.00 N ATOM 695 CA VAL A 45 -9.798 5.965 4.589 1.00 0.00 C ATOM 696 C VAL A 45 -8.383 6.162 5.124 1.00 0.00 C ATOM 697 O VAL A 45 -7.985 5.531 6.106 1.00 0.00 O ATOM 698 CB VAL A 45 -10.813 6.679 5.515 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.771 6.107 6.929 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.561 8.181 5.533 1.00 0.00 C ATOM 0 H VAL A 45 -10.451 4.105 5.302 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.870 6.410 3.597 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.811 6.502 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.495 6.629 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.016 5.045 6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.772 6.237 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.285 8.664 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.553 8.376 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.664 8.579 4.524 1.00 0.00 H new ATOM 710 N ALA A 46 -7.626 7.036 4.466 1.00 0.00 N ATOM 711 CA ALA A 46 -6.252 7.315 4.866 1.00 0.00 C ATOM 712 C ALA A 46 -6.009 8.818 4.988 1.00 0.00 C ATOM 713 O ALA A 46 -6.567 9.611 4.224 1.00 0.00 O ATOM 714 CB ALA A 46 -5.282 6.691 3.872 1.00 0.00 C ATOM 0 H ALA A 46 -7.943 7.563 3.652 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.083 6.872 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.258 6.905 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.434 5.612 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.458 7.109 2.881 1.00 0.00 H new ATOM 720 N VAL A 47 -5.176 9.203 5.956 1.00 0.00 N ATOM 721 CA VAL A 47 -4.858 10.611 6.186 1.00 0.00 C ATOM 722 C VAL A 47 -3.411 10.920 5.800 1.00 0.00 C ATOM 723 O VAL A 47 -2.476 10.291 6.301 1.00 0.00 O ATOM 724 CB VAL A 47 -5.103 11.017 7.662 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.215 10.220 8.612 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.889 12.513 7.853 1.00 0.00 C ATOM 0 H VAL A 47 -4.709 8.558 6.593 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.525 11.195 5.552 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.140 10.784 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.411 10.529 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.430 9.157 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.168 10.404 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.066 12.776 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.865 12.772 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.582 13.064 7.217 1.00 0.00 H new ATOM 736 N CYS A 48 -3.239 11.893 4.905 1.00 0.00 N ATOM 737 CA CYS A 48 -1.909 12.295 4.446 1.00 0.00 C ATOM 738 C CYS A 48 -1.070 12.834 5.604 1.00 0.00 C ATOM 739 O CYS A 48 -1.554 13.631 6.410 1.00 0.00 O ATOM 740 CB CYS A 48 -2.027 13.359 3.350 1.00 0.00 C ATOM 741 SG CYS A 48 -0.430 13.943 2.691 1.00 0.00 S ATOM 0 H CYS A 48 -4.005 12.418 4.483 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.411 11.414 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.618 12.953 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.576 14.213 3.747 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.573 14.283 1.444 1.00 0.00 H new ATOM 746 N PRO A 49 0.205 12.405 5.705 1.00 0.00 N ATOM 747 CA PRO A 49 1.108 12.850 6.769 1.00 0.00 C ATOM 748 C PRO A 49 1.812 14.174 6.443 1.00 0.00 C ATOM 749 O PRO A 49 2.891 14.457 6.969 1.00 0.00 O ATOM 750 CB PRO A 49 2.110 11.699 6.840 1.00 0.00 C ATOM 751 CG PRO A 49 2.209 11.202 5.436 1.00 0.00 C ATOM 752 CD PRO A 49 0.866 11.451 4.793 1.00 0.00 C ATOM 0 HA PRO A 49 0.586 13.054 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.078 12.038 7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.767 10.915 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.999 11.723 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.456 10.141 5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.974 11.866 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.293 10.529 4.696 1.00 0.00 H new ATOM 760 N SER A 50 1.196 14.978 5.572 1.00 0.00 N ATOM 761 CA SER A 50 1.755 16.264 5.170 1.00 0.00 C ATOM 762 C SER A 50 0.686 17.357 5.228 1.00 0.00 C ATOM 763 O SER A 50 0.825 18.329 5.973 1.00 0.00 O ATOM 764 CB SER A 50 2.343 16.158 3.760 1.00 0.00 C ATOM 765 OG SER A 50 2.969 14.901 3.569 1.00 0.00 O ATOM 0 H SER A 50 0.304 14.755 5.131 1.00 0.00 H new ATOM 0 HA SER A 50 2.552 16.534 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.553 16.292 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.067 16.958 3.602 1.00 0.00 H new ATOM 0 HG SER A 50 2.386 14.323 3.034 1.00 0.00 H new ATOM 771 N CYS A 51 -0.385 17.188 4.447 1.00 0.00 N ATOM 772 CA CYS A 51 -1.479 18.163 4.426 1.00 0.00 C ATOM 773 C CYS A 51 -2.692 17.680 5.237 1.00 0.00 C ATOM 774 O CYS A 51 -3.593 18.468 5.536 1.00 0.00 O ATOM 775 CB CYS A 51 -1.901 18.466 2.984 1.00 0.00 C ATOM 776 SG CYS A 51 -2.709 17.072 2.131 1.00 0.00 S ATOM 0 H CYS A 51 -0.518 16.391 3.825 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.108 19.076 4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.581 19.318 2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.020 18.764 2.415 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.004 15.993 2.299 1.00 0.00 H new ATOM 781 N SER A 52 -2.715 16.387 5.585 1.00 0.00 N ATOM 782 CA SER A 52 -3.818 15.804 6.355 1.00 0.00 C ATOM 783 C SER A 52 -5.120 15.794 5.543 1.00 0.00 C ATOM 784 O SER A 52 -6.212 15.951 6.095 1.00 0.00 O ATOM 785 CB SER A 52 -4.012 16.563 7.676 1.00 0.00 C ATOM 786 OG SER A 52 -4.773 15.802 8.601 1.00 0.00 O ATOM 0 H SER A 52 -1.979 15.724 5.344 1.00 0.00 H new ATOM 0 HA SER A 52 -3.558 14.770 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.040 16.799 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.513 17.511 7.483 1.00 0.00 H new ATOM 0 HG SER A 52 -5.613 15.521 8.181 1.00 0.00 H new ATOM 792 N LEU A 53 -4.995 15.599 4.227 1.00 0.00 N ATOM 793 CA LEU A 53 -6.153 15.559 3.336 1.00 0.00 C ATOM 794 C LEU A 53 -6.757 14.152 3.300 1.00 0.00 C ATOM 795 O LEU A 53 -6.035 13.159 3.186 1.00 0.00 O ATOM 796 CB LEU A 53 -5.741 16.007 1.927 1.00 0.00 C ATOM 797 CG LEU A 53 -6.855 16.000 0.876 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.683 17.162 -0.092 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.864 14.679 0.123 1.00 0.00 C ATOM 0 H LEU A 53 -4.100 15.466 3.756 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.913 16.243 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.333 17.016 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.936 15.359 1.581 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.811 16.116 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.483 17.141 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.722 18.102 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.721 17.076 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.661 14.689 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.905 14.538 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.032 13.862 0.824 1.00 0.00 H new ATOM 811 N MET A 54 -8.086 14.077 3.406 1.00 0.00 N ATOM 812 CA MET A 54 -8.792 12.793 3.394 1.00 0.00 C ATOM 813 C MET A 54 -9.019 12.300 1.964 1.00 0.00 C ATOM 814 O MET A 54 -9.459 13.061 1.098 1.00 0.00 O ATOM 815 CB MET A 54 -10.134 12.914 4.127 1.00 0.00 C ATOM 816 CG MET A 54 -10.017 12.797 5.641 1.00 0.00 C ATOM 817 SD MET A 54 -11.593 12.422 6.436 1.00 0.00 S ATOM 818 CE MET A 54 -12.590 13.810 5.898 1.00 0.00 C ATOM 0 H MET A 54 -8.695 14.890 3.501 1.00 0.00 H new ATOM 0 HA MET A 54 -8.168 12.064 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.588 13.874 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.808 12.139 3.763 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.297 12.017 5.886 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.625 13.731 6.044 1.00 0.00 H new ATOM 0 HE1 MET A 54 -13.546 13.796 6.421 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.068 14.741 6.121 1.00 0.00 H new ATOM 0 HE3 MET A 54 -12.763 13.739 4.824 1.00 0.00 H new ATOM 828 N ILE A 55 -8.714 11.021 1.726 1.00 0.00 N ATOM 829 CA ILE A 55 -8.879 10.418 0.399 1.00 0.00 C ATOM 830 C ILE A 55 -9.458 9.002 0.484 1.00 0.00 C ATOM 831 O ILE A 55 -9.239 8.288 1.466 1.00 0.00 O ATOM 832 CB ILE A 55 -7.538 10.349 -0.365 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.450 9.718 0.513 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.116 11.734 -0.837 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.478 8.847 -0.256 1.00 0.00 C ATOM 0 H ILE A 55 -8.352 10.383 2.434 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.575 11.062 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.675 9.719 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.895 10.511 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.924 9.119 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.169 11.663 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.879 12.140 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.997 12.391 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.738 8.435 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.021 8.033 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.975 9.446 -1.016 1.00 0.00 H new ATOM 847 N ASP A 56 -10.185 8.602 -0.563 1.00 0.00 N ATOM 848 CA ASP A 56 -10.788 7.270 -0.629 1.00 0.00 C ATOM 849 C ASP A 56 -9.906 6.316 -1.433 1.00 0.00 C ATOM 850 O ASP A 56 -10.077 6.176 -2.646 1.00 0.00 O ATOM 851 CB ASP A 56 -12.180 7.334 -1.273 1.00 0.00 C ATOM 852 CG ASP A 56 -13.193 8.096 -0.436 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.287 7.826 0.781 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.902 8.957 -1.002 1.00 0.00 O ATOM 0 H ASP A 56 -10.370 9.185 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.881 6.899 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.099 7.806 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.544 6.320 -1.438 1.00 0.00 H new ATOM 859 N VAL A 57 -8.966 5.656 -0.760 1.00 0.00 N ATOM 860 CA VAL A 57 -8.073 4.716 -1.434 1.00 0.00 C ATOM 861 C VAL A 57 -8.610 3.286 -1.337 1.00 0.00 C ATOM 862 O VAL A 57 -8.700 2.712 -0.248 1.00 0.00 O ATOM 863 CB VAL A 57 -6.630 4.782 -0.874 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.588 4.392 0.596 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.696 3.899 -1.692 1.00 0.00 C ATOM 0 H VAL A 57 -8.803 5.753 0.242 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.037 5.010 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.288 5.814 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.562 4.449 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.214 5.074 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.958 3.374 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.687 3.959 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.043 2.867 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.688 4.239 -2.728 1.00 0.00 H new ATOM 875 N VAL A 58 -8.973 2.720 -2.487 1.00 0.00 N ATOM 876 CA VAL A 58 -9.507 1.364 -2.539 1.00 0.00 C ATOM 877 C VAL A 58 -8.390 0.344 -2.767 1.00 0.00 C ATOM 878 O VAL A 58 -7.507 0.545 -3.604 1.00 0.00 O ATOM 879 CB VAL A 58 -10.594 1.220 -3.633 1.00 0.00 C ATOM 880 CG1 VAL A 58 -10.027 1.485 -5.022 1.00 0.00 C ATOM 881 CG2 VAL A 58 -11.246 -0.156 -3.567 1.00 0.00 C ATOM 0 H VAL A 58 -8.906 3.181 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.972 1.164 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.359 1.973 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.817 1.375 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.627 2.498 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.230 0.771 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.006 -0.236 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.489 -0.925 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.710 -0.292 -2.590 1.00 0.00 H new ATOM 891 N PHE A 59 -8.437 -0.744 -2.002 1.00 0.00 N ATOM 892 CA PHE A 59 -7.437 -1.804 -2.093 1.00 0.00 C ATOM 893 C PHE A 59 -8.054 -3.090 -2.648 1.00 0.00 C ATOM 894 O PHE A 59 -9.278 -3.222 -2.715 1.00 0.00 O ATOM 895 CB PHE A 59 -6.827 -2.073 -0.711 1.00 0.00 C ATOM 896 CG PHE A 59 -7.802 -2.652 0.283 1.00 0.00 C ATOM 897 CD1 PHE A 59 -8.623 -1.823 1.032 1.00 0.00 C ATOM 898 CD2 PHE A 59 -7.895 -4.023 0.469 1.00 0.00 C ATOM 899 CE1 PHE A 59 -9.518 -2.349 1.945 1.00 0.00 C ATOM 900 CE2 PHE A 59 -8.787 -4.555 1.382 1.00 0.00 C ATOM 901 CZ PHE A 59 -9.599 -3.716 2.121 1.00 0.00 C ATOM 0 H PHE A 59 -9.164 -0.915 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.653 -1.475 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.986 -2.758 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.428 -1.140 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.563 -0.753 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.263 -4.683 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.153 -1.691 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.849 -5.625 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.296 -4.129 2.835 1.00 0.00 H new ATOM 911 N ASP A 60 -7.199 -4.035 -3.037 1.00 0.00 N ATOM 912 CA ASP A 60 -7.658 -5.313 -3.581 1.00 0.00 C ATOM 913 C ASP A 60 -6.952 -6.488 -2.904 1.00 0.00 C ATOM 914 O ASP A 60 -5.739 -6.451 -2.685 1.00 0.00 O ATOM 915 CB ASP A 60 -7.411 -5.366 -5.091 1.00 0.00 C ATOM 916 CG ASP A 60 -8.614 -4.924 -5.900 1.00 0.00 C ATOM 917 OD1 ASP A 60 -8.970 -3.727 -5.833 1.00 0.00 O ATOM 918 OD2 ASP A 60 -9.200 -5.774 -6.601 1.00 0.00 O ATOM 0 H ASP A 60 -6.185 -3.940 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.727 -5.393 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.560 -4.731 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.142 -6.383 -5.375 1.00 0.00 H new ATOM 923 N LYS A 61 -7.716 -7.539 -2.590 1.00 0.00 N ATOM 924 CA LYS A 61 -7.162 -8.737 -1.954 1.00 0.00 C ATOM 925 C LYS A 61 -6.246 -9.488 -2.920 1.00 0.00 C ATOM 926 O LYS A 61 -5.204 -10.009 -2.518 1.00 0.00 O ATOM 927 CB LYS A 61 -8.288 -9.658 -1.469 1.00 0.00 C ATOM 928 CG LYS A 61 -8.717 -9.387 -0.033 1.00 0.00 C ATOM 929 CD LYS A 61 -9.988 -10.144 0.330 1.00 0.00 C ATOM 930 CE LYS A 61 -9.959 -10.653 1.768 1.00 0.00 C ATOM 931 NZ LYS A 61 -9.537 -9.601 2.739 1.00 0.00 N ATOM 0 H LYS A 61 -8.720 -7.584 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.573 -8.422 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.150 -9.542 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.961 -10.694 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.915 -9.676 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.880 -8.318 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.850 -9.491 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.115 -10.986 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.949 -11.018 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.277 -11.500 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.101 -9.685 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.530 -9.723 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.686 -8.661 2.319 1.00 0.00 H new ATOM 945 N GLU A 62 -6.636 -9.527 -4.198 1.00 0.00 N ATOM 946 CA GLU A 62 -5.841 -10.200 -5.225 1.00 0.00 C ATOM 947 C GLU A 62 -4.445 -9.587 -5.305 1.00 0.00 C ATOM 948 O GLU A 62 -3.444 -10.298 -5.214 1.00 0.00 O ATOM 949 CB GLU A 62 -6.533 -10.110 -6.590 1.00 0.00 C ATOM 950 CG GLU A 62 -7.537 -11.226 -6.840 1.00 0.00 C ATOM 951 CD GLU A 62 -8.331 -11.028 -8.117 1.00 0.00 C ATOM 952 OE1 GLU A 62 -9.193 -10.124 -8.149 1.00 0.00 O ATOM 953 OE2 GLU A 62 -8.095 -11.782 -9.086 1.00 0.00 O ATOM 0 H GLU A 62 -7.496 -9.101 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.749 -11.251 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.043 -9.150 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.776 -10.132 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.009 -12.179 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.224 -11.286 -5.996 1.00 0.00 H new ATOM 960 N ASP A 63 -4.387 -8.262 -5.462 1.00 0.00 N ATOM 961 CA ASP A 63 -3.110 -7.552 -5.542 1.00 0.00 C ATOM 962 C ASP A 63 -2.310 -7.716 -4.249 1.00 0.00 C ATOM 963 O ASP A 63 -1.103 -7.941 -4.288 1.00 0.00 O ATOM 964 CB ASP A 63 -3.331 -6.061 -5.828 1.00 0.00 C ATOM 965 CG ASP A 63 -3.764 -5.794 -7.258 1.00 0.00 C ATOM 966 OD1 ASP A 63 -3.011 -6.159 -8.187 1.00 0.00 O ATOM 967 OD2 ASP A 63 -4.853 -5.213 -7.449 1.00 0.00 O ATOM 0 H ASP A 63 -5.208 -7.661 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.542 -7.989 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.087 -5.673 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.409 -5.516 -5.625 1.00 0.00 H new ATOM 972 N LEU A 64 -2.989 -7.601 -3.105 1.00 0.00 N ATOM 973 CA LEU A 64 -2.334 -7.739 -1.803 1.00 0.00 C ATOM 974 C LEU A 64 -1.694 -9.120 -1.648 1.00 0.00 C ATOM 975 O LEU A 64 -0.504 -9.230 -1.343 1.00 0.00 O ATOM 976 CB LEU A 64 -3.336 -7.499 -0.669 1.00 0.00 C ATOM 977 CG LEU A 64 -2.793 -6.697 0.514 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.933 -6.200 1.392 1.00 0.00 C ATOM 979 CD2 LEU A 64 -1.818 -7.541 1.323 1.00 0.00 C ATOM 0 H LEU A 64 -3.990 -7.413 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.546 -6.988 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.203 -6.978 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.687 -8.464 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.258 -5.829 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.527 -5.631 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.592 -5.561 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.497 -7.052 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.440 -6.956 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.329 -8.427 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.986 -7.845 0.688 1.00 0.00 H new ATOM 991 N ALA A 65 -2.489 -10.171 -1.864 1.00 0.00 N ATOM 992 CA ALA A 65 -1.999 -11.546 -1.751 1.00 0.00 C ATOM 993 C ALA A 65 -0.920 -11.835 -2.796 1.00 0.00 C ATOM 994 O ALA A 65 0.071 -12.509 -2.507 1.00 0.00 O ATOM 995 CB ALA A 65 -3.152 -12.535 -1.886 1.00 0.00 C ATOM 0 H ALA A 65 -3.474 -10.096 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.551 -11.664 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.771 -13.552 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.882 -12.353 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.629 -12.407 -2.858 1.00 0.00 H new ATOM 1001 N GLU A 66 -1.116 -11.311 -4.007 1.00 0.00 N ATOM 1002 CA GLU A 66 -0.159 -11.499 -5.096 1.00 0.00 C ATOM 1003 C GLU A 66 1.149 -10.754 -4.809 1.00 0.00 C ATOM 1004 O GLU A 66 2.236 -11.276 -5.060 1.00 0.00 O ATOM 1005 CB GLU A 66 -0.764 -11.013 -6.418 1.00 0.00 C ATOM 1006 CG GLU A 66 -0.054 -11.546 -7.653 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.645 -11.011 -8.944 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.825 -11.312 -9.228 1.00 0.00 O ATOM 1009 OE2 GLU A 66 0.071 -10.293 -9.673 1.00 0.00 O ATOM 0 H GLU A 66 -1.931 -10.752 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 66 0.064 -12.563 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.812 -11.309 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.740 -9.923 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.002 -11.280 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.108 -12.635 -7.657 1.00 0.00 H new ATOM 1016 N TYR A 67 1.033 -9.535 -4.279 1.00 0.00 N ATOM 1017 CA TYR A 67 2.202 -8.715 -3.956 1.00 0.00 C ATOM 1018 C TYR A 67 3.030 -9.332 -2.826 1.00 0.00 C ATOM 1019 O TYR A 67 4.257 -9.226 -2.826 1.00 0.00 O ATOM 1020 CB TYR A 67 1.774 -7.299 -3.565 1.00 0.00 C ATOM 1021 CG TYR A 67 2.885 -6.282 -3.687 1.00 0.00 C ATOM 1022 CD1 TYR A 67 3.104 -5.607 -4.880 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.719 -6.001 -2.612 1.00 0.00 C ATOM 1024 CE1 TYR A 67 4.120 -4.681 -5.000 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.738 -5.074 -2.723 1.00 0.00 C ATOM 1026 CZ TYR A 67 4.934 -4.418 -3.919 1.00 0.00 C ATOM 1027 OH TYR A 67 5.948 -3.496 -4.035 1.00 0.00 O ATOM 0 H TYR A 67 0.139 -9.093 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 67 2.824 -8.671 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.940 -6.992 -4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.410 -7.308 -2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.468 -5.810 -5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.569 -6.515 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.277 -4.165 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.377 -4.865 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 67 6.570 -3.780 -4.737 1.00 0.00 H new ATOM 1037 N TYR A 68 2.359 -9.977 -1.870 1.00 0.00 N ATOM 1038 CA TYR A 68 3.046 -10.612 -0.743 1.00 0.00 C ATOM 1039 C TYR A 68 4.116 -11.579 -1.252 1.00 0.00 C ATOM 1040 O TYR A 68 5.227 -11.626 -0.720 1.00 0.00 O ATOM 1041 CB TYR A 68 2.040 -11.349 0.154 1.00 0.00 C ATOM 1042 CG TYR A 68 2.629 -11.884 1.448 1.00 0.00 C ATOM 1043 CD1 TYR A 68 3.421 -13.027 1.456 1.00 0.00 C ATOM 1044 CD2 TYR A 68 2.385 -11.250 2.662 1.00 0.00 C ATOM 1045 CE1 TYR A 68 3.954 -13.520 2.633 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.915 -11.738 3.843 1.00 0.00 C ATOM 1047 CZ TYR A 68 3.698 -12.872 3.823 1.00 0.00 C ATOM 1048 OH TYR A 68 4.227 -13.360 4.996 1.00 0.00 O ATOM 0 H TYR A 68 1.344 -10.074 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 68 3.531 -9.836 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.221 -10.671 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.612 -12.180 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.623 -13.539 0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.771 -10.362 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.568 -14.408 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.716 -11.233 4.776 1.00 0.00 H new ATOM 0 HH TYR A 68 3.952 -12.787 5.742 1.00 0.00 H new ATOM 1058 N GLU A 69 3.770 -12.337 -2.292 1.00 0.00 N ATOM 1059 CA GLU A 69 4.693 -13.296 -2.890 1.00 0.00 C ATOM 1060 C GLU A 69 5.624 -12.617 -3.899 1.00 0.00 C ATOM 1061 O GLU A 69 6.801 -12.967 -4.000 1.00 0.00 O ATOM 1062 CB GLU A 69 3.914 -14.422 -3.576 1.00 0.00 C ATOM 1063 CG GLU A 69 4.696 -15.723 -3.684 1.00 0.00 C ATOM 1064 CD GLU A 69 4.314 -16.547 -4.901 1.00 0.00 C ATOM 1065 OE1 GLU A 69 3.102 -16.745 -5.132 1.00 0.00 O ATOM 1066 OE2 GLU A 69 5.230 -16.999 -5.620 1.00 0.00 O ATOM 0 H GLU A 69 2.853 -12.304 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 69 5.305 -13.715 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.993 -14.606 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.625 -14.097 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.762 -15.497 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.530 -16.316 -2.784 1.00 0.00 H new ATOM 1073 N GLU A 70 5.089 -11.650 -4.649 1.00 0.00 N ATOM 1074 CA GLU A 70 5.875 -10.930 -5.657 1.00 0.00 C ATOM 1075 C GLU A 70 6.977 -10.072 -5.023 1.00 0.00 C ATOM 1076 O GLU A 70 8.042 -9.887 -5.616 1.00 0.00 O ATOM 1077 CB GLU A 70 4.965 -10.048 -6.519 1.00 0.00 C ATOM 1078 CG GLU A 70 5.386 -9.989 -7.982 1.00 0.00 C ATOM 1079 CD GLU A 70 4.529 -10.859 -8.885 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.249 -12.018 -8.510 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.143 -10.381 -9.973 1.00 0.00 O ATOM 0 H GLU A 70 4.117 -11.347 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 70 6.354 -11.681 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.944 -10.424 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.958 -9.038 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.334 -8.956 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.427 -10.302 -8.067 1.00 0.00 H new ATOM 1088 N ALA A 71 6.713 -9.537 -3.828 1.00 0.00 N ATOM 1089 CA ALA A 71 7.680 -8.687 -3.128 1.00 0.00 C ATOM 1090 C ALA A 71 8.985 -9.431 -2.834 1.00 0.00 C ATOM 1091 O ALA A 71 10.046 -9.054 -3.334 1.00 0.00 O ATOM 1092 CB ALA A 71 7.072 -8.146 -1.840 1.00 0.00 C ATOM 0 H ALA A 71 5.837 -9.678 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 71 7.922 -7.852 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.801 -7.516 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.185 -7.557 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.794 -8.977 -1.192 1.00 0.00 H new