USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 685 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 21 CYS SG : rot 150:sc= 0.873 USER MOD Set 1.2: A 24 CYS SG : rot -53:sc= 0.654 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.258 K(o=3.4,f=2.6) USER MOD Set 1.4: A 56 CYS SG : rot 142:sc= 0.357 USER MOD Set 1.5: A 59 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 150:sc= 0.34 USER MOD Set 2.2: A 43 MET CE :methyl -124:sc=-0.00326 (180deg=-0.168) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.05 (180deg=0.566) USER MOD Single : A 9 TYR OH : rot -137:sc= 1.05 USER MOD Single : A 13 TYR OH : rot 6:sc= 1.8 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.198) USER MOD Single : A 38 MET CE :methyl -172:sc= -1.6 (180deg=-2.05) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0.989 (180deg=0.957) USER MOD Single : A 50 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.35) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00593 USER MOD Single : A 62 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.284 F(o=-0.79,f=-0.28) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 82 GLN : amide:sc= 0.982 K(o=0.98,f=-0.33) USER MOD Single : A 83 GLN : amide:sc= 0.843 K(o=0.84,f=-0.46) USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.491) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.08) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 91:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -3.655 -5.533 11.601 1.00 0.00 N ATOM 80 CA LYS A 7 -3.994 -5.139 10.237 1.00 0.00 C ATOM 81 C LYS A 7 -3.469 -6.193 9.271 1.00 0.00 C ATOM 82 O LYS A 7 -2.733 -7.104 9.664 1.00 0.00 O ATOM 83 CB LYS A 7 -3.352 -3.763 9.957 1.00 0.00 C ATOM 84 CG LYS A 7 -3.719 -2.682 10.986 1.00 0.00 C ATOM 85 CD LYS A 7 -5.195 -2.283 10.926 1.00 0.00 C ATOM 86 CE LYS A 7 -5.484 -1.295 12.056 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.927 -0.945 12.088 1.00 0.00 N ATOM 0 HA LYS A 7 -5.074 -5.062 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.268 -3.877 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.657 -3.426 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.486 -3.046 11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.102 -1.800 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.425 -1.831 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.829 -3.164 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.188 -1.730 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.888 -0.393 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.045 0.002 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.307 -0.951 11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.440 -1.641 12.666 1.00 0.00 H new ATOM 101 N LEU A 8 -3.815 -6.028 8.001 1.00 0.00 N ATOM 102 CA LEU A 8 -3.278 -6.814 6.887 1.00 0.00 C ATOM 103 C LEU A 8 -2.480 -5.962 5.909 1.00 0.00 C ATOM 104 O LEU A 8 -1.665 -6.504 5.168 1.00 0.00 O ATOM 105 CB LEU A 8 -4.452 -7.439 6.123 1.00 0.00 C ATOM 106 CG LEU A 8 -5.393 -8.325 6.947 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.574 -8.684 6.055 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.693 -9.591 7.433 1.00 0.00 C ATOM 0 H LEU A 8 -4.494 -5.327 7.705 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.611 -7.569 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.039 -6.636 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.051 -8.034 5.302 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.721 -7.787 7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.269 -9.316 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.084 -7.773 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.216 -9.220 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.392 -10.193 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.344 -10.166 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.842 -9.319 8.058 1.00 0.00 H new ATOM 120 N TYR A 9 -2.721 -4.652 5.887 1.00 0.00 N ATOM 121 CA TYR A 9 -2.359 -3.775 4.780 1.00 0.00 C ATOM 122 C TYR A 9 -1.851 -2.426 5.303 1.00 0.00 C ATOM 123 O TYR A 9 -2.233 -1.972 6.383 1.00 0.00 O ATOM 124 CB TYR A 9 -3.580 -3.591 3.854 1.00 0.00 C ATOM 125 CG TYR A 9 -4.268 -4.852 3.350 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.516 -5.929 2.850 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.673 -4.947 3.389 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.150 -7.118 2.444 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.318 -6.127 2.967 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.554 -7.219 2.501 1.00 0.00 C ATOM 131 OH TYR A 9 -6.165 -8.361 2.088 1.00 0.00 O ATOM 0 H TYR A 9 -3.182 -4.163 6.654 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.550 -4.229 4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.320 -2.992 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.263 -3.010 2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.442 -5.843 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.259 -4.112 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.561 -7.951 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.395 -6.196 3.000 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.958 -8.135 1.558 1.00 0.00 H new ATOM 141 N ARG A 10 -0.999 -1.769 4.516 1.00 0.00 N ATOM 142 CA ARG A 10 -0.394 -0.457 4.782 1.00 0.00 C ATOM 143 C ARG A 10 -0.393 0.366 3.489 1.00 0.00 C ATOM 144 O ARG A 10 -0.228 -0.208 2.418 1.00 0.00 O ATOM 145 CB ARG A 10 1.014 -0.681 5.385 1.00 0.00 C ATOM 146 CG ARG A 10 2.052 0.456 5.261 1.00 0.00 C ATOM 147 CD ARG A 10 1.695 1.745 6.020 1.00 0.00 C ATOM 148 NE ARG A 10 1.813 1.605 7.485 1.00 0.00 N ATOM 149 CZ ARG A 10 2.815 1.963 8.268 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.901 2.553 7.857 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.715 1.725 9.539 1.00 0.00 N ATOM 0 H ARG A 10 -0.693 -2.158 3.624 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.966 0.118 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.890 -0.904 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.438 -1.571 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.013 0.092 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.181 0.697 4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.348 2.550 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.675 2.036 5.770 1.00 0.00 H new ATOM 0 HE ARG A 10 1.016 1.175 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.021 2.769 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.632 2.799 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.879 1.273 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.472 1.990 10.169 1.00 0.00 H new ATOM 165 N VAL A 11 -0.565 1.684 3.577 1.00 0.00 N ATOM 166 CA VAL A 11 -0.387 2.657 2.481 1.00 0.00 C ATOM 167 C VAL A 11 0.260 3.942 3.004 1.00 0.00 C ATOM 168 O VAL A 11 -0.012 4.355 4.131 1.00 0.00 O ATOM 169 CB VAL A 11 -1.740 2.945 1.806 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.653 3.871 2.624 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.565 3.594 0.427 1.00 0.00 C ATOM 0 H VAL A 11 -0.845 2.131 4.450 1.00 0.00 H new ATOM 0 HA VAL A 11 0.282 2.231 1.733 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.207 1.964 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.588 4.029 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.864 3.413 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.156 4.829 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.544 3.780 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.030 4.537 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.997 2.926 -0.220 1.00 0.00 H new ATOM 181 N GLU A 12 1.125 4.571 2.210 1.00 0.00 N ATOM 182 CA GLU A 12 1.809 5.816 2.571 1.00 0.00 C ATOM 183 C GLU A 12 2.520 6.446 1.376 1.00 0.00 C ATOM 184 O GLU A 12 2.915 5.774 0.418 1.00 0.00 O ATOM 185 CB GLU A 12 2.847 5.572 3.692 1.00 0.00 C ATOM 186 CG GLU A 12 3.906 4.518 3.334 1.00 0.00 C ATOM 187 CD GLU A 12 4.922 4.330 4.466 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.507 4.012 5.605 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.140 4.458 4.197 1.00 0.00 O ATOM 0 H GLU A 12 1.376 4.226 1.283 1.00 0.00 H new ATOM 0 HA GLU A 12 1.037 6.501 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.347 6.513 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.325 5.258 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.417 3.567 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.426 4.818 2.424 1.00 0.00 H new ATOM 196 N TYR A 13 2.761 7.748 1.488 1.00 0.00 N ATOM 197 CA TYR A 13 3.800 8.418 0.718 1.00 0.00 C ATOM 198 C TYR A 13 5.187 8.054 1.266 1.00 0.00 C ATOM 199 O TYR A 13 5.427 8.099 2.477 1.00 0.00 O ATOM 200 CB TYR A 13 3.560 9.926 0.754 1.00 0.00 C ATOM 201 CG TYR A 13 2.147 10.347 0.389 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.572 9.921 -0.824 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.409 11.160 1.269 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.301 10.395 -1.205 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.138 11.633 0.895 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.413 11.263 -0.352 1.00 0.00 C ATOM 207 OH TYR A 13 -1.637 11.729 -0.709 1.00 0.00 O ATOM 0 H TYR A 13 2.243 8.366 2.113 1.00 0.00 H new ATOM 0 HA TYR A 13 3.762 8.087 -0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.788 10.294 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.258 10.409 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.105 9.231 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.819 11.421 2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.127 10.094 -2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.416 12.278 1.561 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.922 11.296 -1.541 1.00 0.00 H new ATOM 217 N ALA A 14 6.111 7.695 0.379 1.00 0.00 N ATOM 218 CA ALA A 14 7.461 7.272 0.721 1.00 0.00 C ATOM 219 C ALA A 14 8.329 8.464 1.168 1.00 0.00 C ATOM 220 O ALA A 14 8.753 9.278 0.345 1.00 0.00 O ATOM 221 CB ALA A 14 8.033 6.535 -0.496 1.00 0.00 C ATOM 0 H ALA A 14 5.934 7.691 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 14 7.451 6.596 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.047 6.202 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.409 5.671 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.050 7.207 -1.354 1.00 0.00 H new ATOM 227 N LYS A 15 8.625 8.555 2.471 1.00 0.00 N ATOM 228 CA LYS A 15 9.479 9.607 3.064 1.00 0.00 C ATOM 229 C LYS A 15 10.978 9.389 2.797 1.00 0.00 C ATOM 230 O LYS A 15 11.748 10.347 2.754 1.00 0.00 O ATOM 231 CB LYS A 15 9.157 9.674 4.573 1.00 0.00 C ATOM 232 CG LYS A 15 9.860 10.794 5.361 1.00 0.00 C ATOM 233 CD LYS A 15 9.508 12.206 4.869 1.00 0.00 C ATOM 234 CE LYS A 15 10.158 13.251 5.784 1.00 0.00 C ATOM 235 NZ LYS A 15 9.820 14.637 5.364 1.00 0.00 N ATOM 0 H LYS A 15 8.274 7.890 3.160 1.00 0.00 H new ATOM 0 HA LYS A 15 9.256 10.562 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.080 9.795 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.421 8.718 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.593 10.708 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.939 10.653 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.854 12.341 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.426 12.339 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.828 13.091 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.240 13.121 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.277 15.316 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.157 14.798 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.789 14.769 5.399 1.00 0.00 H new ATOM 249 N SER A 16 11.382 8.135 2.592 1.00 0.00 N ATOM 250 CA SER A 16 12.752 7.688 2.310 1.00 0.00 C ATOM 251 C SER A 16 12.716 6.365 1.538 1.00 0.00 C ATOM 252 O SER A 16 11.837 5.526 1.762 1.00 0.00 O ATOM 253 CB SER A 16 13.539 7.535 3.616 1.00 0.00 C ATOM 254 OG SER A 16 14.909 7.316 3.327 1.00 0.00 O ATOM 0 H SER A 16 10.725 7.356 2.619 1.00 0.00 H new ATOM 0 HA SER A 16 13.255 8.436 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.425 8.430 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.142 6.701 4.195 1.00 0.00 H new ATOM 0 HG SER A 16 15.409 7.220 4.165 1.00 0.00 H new ATOM 260 N GLY A 17 13.648 6.172 0.603 1.00 0.00 N ATOM 261 CA GLY A 17 13.608 5.097 -0.401 1.00 0.00 C ATOM 262 C GLY A 17 14.161 3.740 0.057 1.00 0.00 C ATOM 263 O GLY A 17 14.769 3.022 -0.737 1.00 0.00 O ATOM 0 H GLY A 17 14.471 6.769 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.574 4.959 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.170 5.421 -1.277 1.00 0.00 H new ATOM 267 N ARG A 18 14.018 3.407 1.348 1.00 0.00 N ATOM 268 CA ARG A 18 14.628 2.220 1.986 1.00 0.00 C ATOM 269 C ARG A 18 13.829 0.922 1.804 1.00 0.00 C ATOM 270 O ARG A 18 14.378 -0.162 2.006 1.00 0.00 O ATOM 271 CB ARG A 18 14.879 2.507 3.482 1.00 0.00 C ATOM 272 CG ARG A 18 15.715 3.768 3.768 1.00 0.00 C ATOM 273 CD ARG A 18 17.119 3.720 3.149 1.00 0.00 C ATOM 274 NE ARG A 18 17.854 4.975 3.402 1.00 0.00 N ATOM 275 CZ ARG A 18 19.135 5.203 3.174 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.925 4.292 2.679 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.651 6.369 3.432 1.00 0.00 N ATOM 0 H ARG A 18 13.463 3.965 1.997 1.00 0.00 H new ATOM 0 HA ARG A 18 15.573 2.045 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.917 2.605 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.383 1.647 3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.186 4.641 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.805 3.899 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.675 2.879 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.041 3.551 2.075 1.00 0.00 H new ATOM 0 HE ARG A 18 17.316 5.748 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.559 3.367 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.909 4.504 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.066 7.113 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.641 6.539 3.254 1.00 0.00 H new ATOM 291 N ALA A 19 12.555 1.016 1.419 1.00 0.00 N ATOM 292 CA ALA A 19 11.696 -0.131 1.133 1.00 0.00 C ATOM 293 C ALA A 19 12.035 -0.778 -0.225 1.00 0.00 C ATOM 294 O ALA A 19 12.389 -0.092 -1.187 1.00 0.00 O ATOM 295 CB ALA A 19 10.233 0.320 1.198 1.00 0.00 C ATOM 0 H ALA A 19 12.083 1.912 1.295 1.00 0.00 H new ATOM 0 HA ALA A 19 11.868 -0.902 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.581 -0.528 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.015 0.705 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.061 1.103 0.460 1.00 0.00 H new ATOM 301 N SER A 20 11.874 -2.098 -0.318 1.00 0.00 N ATOM 302 CA SER A 20 12.109 -2.888 -1.533 1.00 0.00 C ATOM 303 C SER A 20 10.816 -3.548 -2.008 1.00 0.00 C ATOM 304 O SER A 20 10.069 -4.113 -1.205 1.00 0.00 O ATOM 305 CB SER A 20 13.241 -3.904 -1.333 1.00 0.00 C ATOM 306 OG SER A 20 13.004 -4.754 -0.218 1.00 0.00 O ATOM 0 H SER A 20 11.568 -2.666 0.472 1.00 0.00 H new ATOM 0 HA SER A 20 12.436 -2.210 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.348 -4.509 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.183 -3.374 -1.191 1.00 0.00 H new ATOM 0 HG SER A 20 13.746 -5.387 -0.126 1.00 0.00 H new ATOM 312 N CYS A 21 10.538 -3.454 -3.310 1.00 0.00 N ATOM 313 CA CYS A 21 9.326 -4.000 -3.910 1.00 0.00 C ATOM 314 C CYS A 21 9.434 -5.527 -4.028 1.00 0.00 C ATOM 315 O CYS A 21 10.244 -6.057 -4.798 1.00 0.00 O ATOM 316 CB CYS A 21 9.089 -3.317 -5.256 1.00 0.00 C ATOM 317 SG CYS A 21 7.484 -3.849 -5.961 1.00 0.00 S ATOM 0 H CYS A 21 11.154 -2.993 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 21 8.462 -3.799 -3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.098 -2.234 -5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.897 -3.564 -5.945 1.00 0.00 H new ATOM 0 HG CYS A 21 6.993 -2.893 -6.693 1.00 0.00 H new ATOM 322 N LYS A 22 8.611 -6.254 -3.266 1.00 0.00 N ATOM 323 CA LYS A 22 8.633 -7.729 -3.228 1.00 0.00 C ATOM 324 C LYS A 22 8.036 -8.371 -4.496 1.00 0.00 C ATOM 325 O LYS A 22 8.133 -9.589 -4.659 1.00 0.00 O ATOM 326 CB LYS A 22 7.915 -8.252 -1.967 1.00 0.00 C ATOM 327 CG LYS A 22 8.241 -7.536 -0.645 1.00 0.00 C ATOM 328 CD LYS A 22 9.687 -7.670 -0.149 1.00 0.00 C ATOM 329 CE LYS A 22 10.045 -9.123 0.188 1.00 0.00 C ATOM 330 NZ LYS A 22 11.434 -9.235 0.705 1.00 0.00 N ATOM 0 H LYS A 22 7.907 -5.840 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 22 9.682 -8.024 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.840 -8.186 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.156 -9.309 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.014 -6.476 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.575 -7.920 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.369 -7.296 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.827 -7.048 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.347 -9.508 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.936 -9.742 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.644 -10.230 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.101 -8.890 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.530 -8.664 1.569 1.00 0.00 H new ATOM 344 N LYS A 23 7.410 -7.572 -5.376 1.00 0.00 N ATOM 345 CA LYS A 23 6.691 -8.028 -6.581 1.00 0.00 C ATOM 346 C LYS A 23 7.505 -7.861 -7.870 1.00 0.00 C ATOM 347 O LYS A 23 7.622 -8.834 -8.619 1.00 0.00 O ATOM 348 CB LYS A 23 5.325 -7.320 -6.645 1.00 0.00 C ATOM 349 CG LYS A 23 4.452 -7.674 -7.864 1.00 0.00 C ATOM 350 CD LYS A 23 4.142 -9.174 -7.990 1.00 0.00 C ATOM 351 CE LYS A 23 3.169 -9.412 -9.151 1.00 0.00 C ATOM 352 NZ LYS A 23 2.820 -10.850 -9.298 1.00 0.00 N ATOM 0 H LYS A 23 7.389 -6.558 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 23 6.531 -9.103 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.768 -7.560 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.493 -6.243 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.514 -7.123 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.957 -7.339 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.064 -9.732 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.709 -9.544 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.260 -8.833 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.615 -9.050 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.161 -10.968 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.684 -11.400 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.371 -11.189 -8.423 1.00 0.00 H new ATOM 366 N CYS A 24 8.072 -6.674 -8.121 1.00 0.00 N ATOM 367 CA CYS A 24 8.873 -6.388 -9.326 1.00 0.00 C ATOM 368 C CYS A 24 10.402 -6.288 -9.079 1.00 0.00 C ATOM 369 O CYS A 24 11.179 -6.099 -10.020 1.00 0.00 O ATOM 370 CB CYS A 24 8.243 -5.230 -10.125 1.00 0.00 C ATOM 371 SG CYS A 24 8.601 -3.567 -9.443 1.00 0.00 S ATOM 0 H CYS A 24 7.989 -5.876 -7.491 1.00 0.00 H new ATOM 0 HA CYS A 24 8.826 -7.265 -9.972 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.603 -5.274 -11.153 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.163 -5.372 -10.159 1.00 0.00 H new ATOM 0 HG CYS A 24 8.266 -3.532 -8.187 1.00 0.00 H new ATOM 376 N SER A 25 10.840 -6.511 -7.832 1.00 0.00 N ATOM 377 CA SER A 25 12.247 -6.641 -7.404 1.00 0.00 C ATOM 378 C SER A 25 13.130 -5.397 -7.624 1.00 0.00 C ATOM 379 O SER A 25 14.360 -5.495 -7.654 1.00 0.00 O ATOM 380 CB SER A 25 12.887 -7.927 -7.956 1.00 0.00 C ATOM 381 OG SER A 25 12.112 -9.072 -7.618 1.00 0.00 O ATOM 0 H SER A 25 10.191 -6.611 -7.051 1.00 0.00 H new ATOM 0 HA SER A 25 12.198 -6.723 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.980 -7.854 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.895 -8.036 -7.556 1.00 0.00 H new ATOM 0 HG SER A 25 12.539 -9.875 -7.982 1.00 0.00 H new ATOM 387 N GLU A 26 12.521 -4.215 -7.740 1.00 0.00 N ATOM 388 CA GLU A 26 13.193 -2.910 -7.635 1.00 0.00 C ATOM 389 C GLU A 26 13.122 -2.384 -6.188 1.00 0.00 C ATOM 390 O GLU A 26 12.473 -2.988 -5.331 1.00 0.00 O ATOM 391 CB GLU A 26 12.564 -1.911 -8.624 1.00 0.00 C ATOM 392 CG GLU A 26 12.707 -2.349 -10.090 1.00 0.00 C ATOM 393 CD GLU A 26 12.331 -1.232 -11.089 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.408 -0.425 -10.819 1.00 0.00 O ATOM 395 OE2 GLU A 26 12.964 -1.160 -12.172 1.00 0.00 O ATOM 0 H GLU A 26 11.519 -4.133 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 26 14.245 -3.029 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.507 -1.791 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.033 -0.935 -8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.735 -2.662 -10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.073 -3.218 -10.268 1.00 0.00 H new ATOM 402 N SER A 27 13.750 -1.241 -5.900 1.00 0.00 N ATOM 403 CA SER A 27 13.591 -0.548 -4.611 1.00 0.00 C ATOM 404 C SER A 27 12.783 0.738 -4.768 1.00 0.00 C ATOM 405 O SER A 27 12.946 1.482 -5.737 1.00 0.00 O ATOM 406 CB SER A 27 14.921 -0.308 -3.902 1.00 0.00 C ATOM 407 OG SER A 27 15.626 -1.528 -3.728 1.00 0.00 O ATOM 0 H SER A 27 14.381 -0.769 -6.548 1.00 0.00 H new ATOM 0 HA SER A 27 13.023 -1.215 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.527 0.388 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.743 0.156 -2.932 1.00 0.00 H new ATOM 0 HG SER A 27 16.476 -1.353 -3.273 1.00 0.00 H new ATOM 413 N ILE A 28 11.879 0.989 -3.827 1.00 0.00 N ATOM 414 CA ILE A 28 10.786 1.952 -3.983 1.00 0.00 C ATOM 415 C ILE A 28 11.313 3.372 -3.700 1.00 0.00 C ATOM 416 O ILE A 28 11.800 3.611 -2.592 1.00 0.00 O ATOM 417 CB ILE A 28 9.604 1.559 -3.068 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.106 0.122 -3.361 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.446 2.558 -3.238 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.133 -0.420 -2.307 1.00 0.00 C ATOM 0 H ILE A 28 11.882 0.524 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 28 10.411 1.940 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 28 9.961 1.587 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.617 0.108 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.966 -0.545 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.619 2.271 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.786 3.558 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.111 2.554 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.827 -1.430 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.624 -0.439 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.255 0.224 -2.257 1.00 0.00 H new ATOM 432 N PRO A 29 11.241 4.319 -4.655 1.00 0.00 N ATOM 433 CA PRO A 29 11.780 5.665 -4.474 1.00 0.00 C ATOM 434 C PRO A 29 10.932 6.517 -3.517 1.00 0.00 C ATOM 435 O PRO A 29 9.717 6.333 -3.403 1.00 0.00 O ATOM 436 CB PRO A 29 11.851 6.268 -5.880 1.00 0.00 C ATOM 437 CG PRO A 29 10.691 5.586 -6.602 1.00 0.00 C ATOM 438 CD PRO A 29 10.690 4.182 -5.998 1.00 0.00 C ATOM 0 HA PRO A 29 12.763 5.635 -4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.734 7.352 -5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.806 6.059 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.747 6.102 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.845 5.561 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.680 3.773 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.291 3.499 -6.598 1.00 0.00 H new ATOM 446 N LYS A 30 11.573 7.489 -2.854 1.00 0.00 N ATOM 447 CA LYS A 30 10.887 8.521 -2.056 1.00 0.00 C ATOM 448 C LYS A 30 10.104 9.512 -2.933 1.00 0.00 C ATOM 449 O LYS A 30 10.324 9.597 -4.142 1.00 0.00 O ATOM 450 CB LYS A 30 11.859 9.203 -1.076 1.00 0.00 C ATOM 451 CG LYS A 30 12.989 9.989 -1.755 1.00 0.00 C ATOM 452 CD LYS A 30 13.988 10.597 -0.755 1.00 0.00 C ATOM 453 CE LYS A 30 13.399 11.663 0.182 1.00 0.00 C ATOM 454 NZ LYS A 30 13.044 12.917 -0.532 1.00 0.00 N ATOM 0 H LYS A 30 12.589 7.584 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 30 10.133 8.024 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.295 9.880 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.298 8.443 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.524 9.328 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.557 10.787 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.408 9.794 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.813 11.040 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.510 11.262 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.119 11.888 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.945 13.691 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.793 13.152 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.145 12.786 -1.038 1.00 0.00 H new ATOM 468 N ASP A 31 9.178 10.245 -2.314 1.00 0.00 N ATOM 469 CA ASP A 31 8.216 11.145 -2.975 1.00 0.00 C ATOM 470 C ASP A 31 7.320 10.428 -4.017 1.00 0.00 C ATOM 471 O ASP A 31 6.969 10.981 -5.063 1.00 0.00 O ATOM 472 CB ASP A 31 8.907 12.423 -3.490 1.00 0.00 C ATOM 473 CG ASP A 31 9.620 13.185 -2.364 1.00 0.00 C ATOM 474 OD1 ASP A 31 8.952 13.959 -1.638 1.00 0.00 O ATOM 475 OD2 ASP A 31 10.854 13.019 -2.202 1.00 0.00 O ATOM 0 H ASP A 31 9.068 10.232 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 31 7.506 11.476 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.629 12.159 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.166 13.073 -3.955 1.00 0.00 H new ATOM 480 N SER A 32 6.945 9.180 -3.713 1.00 0.00 N ATOM 481 CA SER A 32 6.028 8.323 -4.480 1.00 0.00 C ATOM 482 C SER A 32 5.071 7.580 -3.533 1.00 0.00 C ATOM 483 O SER A 32 5.274 7.587 -2.317 1.00 0.00 O ATOM 484 CB SER A 32 6.838 7.343 -5.337 1.00 0.00 C ATOM 485 OG SER A 32 5.993 6.712 -6.287 1.00 0.00 O ATOM 0 H SER A 32 7.293 8.712 -2.876 1.00 0.00 H new ATOM 0 HA SER A 32 5.422 8.941 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.641 7.873 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.307 6.592 -4.700 1.00 0.00 H new ATOM 0 HG SER A 32 6.520 6.089 -6.831 1.00 0.00 H new ATOM 491 N LEU A 33 4.019 6.947 -4.057 1.00 0.00 N ATOM 492 CA LEU A 33 3.011 6.220 -3.278 1.00 0.00 C ATOM 493 C LEU A 33 3.354 4.721 -3.205 1.00 0.00 C ATOM 494 O LEU A 33 3.670 4.096 -4.222 1.00 0.00 O ATOM 495 CB LEU A 33 1.623 6.487 -3.893 1.00 0.00 C ATOM 496 CG LEU A 33 0.453 5.870 -3.105 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.195 6.570 -1.774 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.838 5.977 -3.910 1.00 0.00 C ATOM 0 H LEU A 33 3.839 6.925 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 33 3.000 6.576 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.471 7.564 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.608 6.096 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 33 0.738 4.834 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.641 6.089 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.086 6.504 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.044 7.618 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.658 5.537 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.056 7.026 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.723 5.444 -4.854 1.00 0.00 H new ATOM 510 N ARG A 34 3.260 4.133 -2.007 1.00 0.00 N ATOM 511 CA ARG A 34 3.584 2.728 -1.734 1.00 0.00 C ATOM 512 C ARG A 34 2.593 2.095 -0.765 1.00 0.00 C ATOM 513 O ARG A 34 1.898 2.783 -0.018 1.00 0.00 O ATOM 514 CB ARG A 34 5.047 2.591 -1.272 1.00 0.00 C ATOM 515 CG ARG A 34 5.399 3.206 0.094 1.00 0.00 C ATOM 516 CD ARG A 34 6.880 2.940 0.413 1.00 0.00 C ATOM 517 NE ARG A 34 7.305 3.568 1.680 1.00 0.00 N ATOM 518 CZ ARG A 34 8.512 3.983 2.013 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.540 3.917 1.214 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.688 4.514 3.181 1.00 0.00 N ATOM 0 H ARG A 34 2.947 4.636 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 34 3.487 2.167 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.297 1.530 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.687 3.049 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.206 4.279 0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.766 2.777 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.049 1.865 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.498 3.318 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 34 6.577 3.696 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.433 3.529 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.451 4.254 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.901 4.605 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.613 4.841 3.458 1.00 0.00 H new ATOM 534 N MET A 35 2.543 0.772 -0.800 1.00 0.00 N ATOM 535 CA MET A 35 1.715 -0.085 0.040 1.00 0.00 C ATOM 536 C MET A 35 2.554 -1.206 0.651 1.00 0.00 C ATOM 537 O MET A 35 3.656 -1.493 0.190 1.00 0.00 O ATOM 538 CB MET A 35 0.520 -0.636 -0.759 1.00 0.00 C ATOM 539 CG MET A 35 -0.519 0.452 -1.045 1.00 0.00 C ATOM 540 SD MET A 35 -2.021 -0.075 -1.915 1.00 0.00 S ATOM 541 CE MET A 35 -2.923 -0.870 -0.554 1.00 0.00 C ATOM 0 H MET A 35 3.112 0.235 -1.454 1.00 0.00 H new ATOM 0 HA MET A 35 1.313 0.510 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.874 -1.057 -1.700 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.053 -1.448 -0.202 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.813 0.901 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.041 1.235 -1.633 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.796 -1.388 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.271 -1.587 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.244 -0.113 0.161 1.00 0.00 H new ATOM 551 N ALA A 36 2.053 -1.821 1.716 1.00 0.00 N ATOM 552 CA ALA A 36 2.700 -2.955 2.367 1.00 0.00 C ATOM 553 C ALA A 36 1.674 -3.991 2.844 1.00 0.00 C ATOM 554 O ALA A 36 0.486 -3.682 2.964 1.00 0.00 O ATOM 555 CB ALA A 36 3.615 -2.454 3.497 1.00 0.00 C ATOM 0 H ALA A 36 1.176 -1.543 2.157 1.00 0.00 H new ATOM 0 HA ALA A 36 3.327 -3.473 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.096 -3.305 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.377 -1.794 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.022 -1.908 4.230 1.00 0.00 H new ATOM 561 N ILE A 37 2.136 -5.206 3.141 1.00 0.00 N ATOM 562 CA ILE A 37 1.321 -6.293 3.695 1.00 0.00 C ATOM 563 C ILE A 37 1.864 -6.751 5.041 1.00 0.00 C ATOM 564 O ILE A 37 3.069 -6.862 5.226 1.00 0.00 O ATOM 565 CB ILE A 37 1.178 -7.430 2.661 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.195 -7.271 1.984 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.349 -8.838 3.244 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.367 -8.084 0.700 1.00 0.00 C ATOM 0 H ILE A 37 3.111 -5.470 3.000 1.00 0.00 H new ATOM 0 HA ILE A 37 0.314 -5.928 3.895 1.00 0.00 H new ATOM 0 HB ILE A 37 1.991 -7.338 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.971 -7.564 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.354 -6.217 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.233 -9.577 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.342 -8.931 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.594 -9.008 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.363 -7.912 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.383 -7.776 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.244 -9.144 0.921 1.00 0.00 H new ATOM 580 N MET A 38 0.965 -7.036 5.973 1.00 0.00 N ATOM 581 CA MET A 38 1.269 -7.318 7.367 1.00 0.00 C ATOM 582 C MET A 38 1.250 -8.827 7.633 1.00 0.00 C ATOM 583 O MET A 38 0.184 -9.431 7.768 1.00 0.00 O ATOM 584 CB MET A 38 0.269 -6.509 8.219 1.00 0.00 C ATOM 585 CG MET A 38 0.747 -6.167 9.633 1.00 0.00 C ATOM 586 SD MET A 38 1.583 -4.567 9.818 1.00 0.00 S ATOM 587 CE MET A 38 2.928 -4.778 8.628 1.00 0.00 C ATOM 0 H MET A 38 -0.034 -7.078 5.770 1.00 0.00 H new ATOM 0 HA MET A 38 2.279 -7.009 7.637 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.038 -5.581 7.696 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.661 -7.073 8.293 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.114 -6.185 10.302 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.426 -6.951 9.966 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.624 -3.944 8.714 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.452 -5.711 8.833 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.519 -4.806 7.618 1.00 0.00 H new ATOM 597 N VAL A 39 2.437 -9.434 7.729 1.00 0.00 N ATOM 598 CA VAL A 39 2.613 -10.890 7.927 1.00 0.00 C ATOM 599 C VAL A 39 3.386 -11.203 9.207 1.00 0.00 C ATOM 600 O VAL A 39 4.329 -10.503 9.563 1.00 0.00 O ATOM 601 CB VAL A 39 3.245 -11.550 6.682 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.644 -11.021 6.355 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.302 -13.078 6.785 1.00 0.00 C ATOM 0 H VAL A 39 3.320 -8.927 7.671 1.00 0.00 H new ATOM 0 HA VAL A 39 1.623 -11.327 8.054 1.00 0.00 H new ATOM 0 HB VAL A 39 2.576 -11.273 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.027 -11.528 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.592 -9.949 6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.310 -11.209 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.756 -13.487 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.899 -13.362 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.292 -13.473 6.895 1.00 0.00 H new ATOM 613 N GLN A 40 2.990 -12.265 9.906 1.00 0.00 N ATOM 614 CA GLN A 40 3.689 -12.784 11.088 1.00 0.00 C ATOM 615 C GLN A 40 5.069 -13.349 10.706 1.00 0.00 C ATOM 616 O GLN A 40 5.180 -14.189 9.809 1.00 0.00 O ATOM 617 CB GLN A 40 2.799 -13.813 11.813 1.00 0.00 C ATOM 618 CG GLN A 40 2.189 -14.899 10.899 1.00 0.00 C ATOM 619 CD GLN A 40 1.351 -15.936 11.652 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.153 -15.893 12.860 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.815 -16.921 10.961 1.00 0.00 N ATOM 0 H GLN A 40 2.157 -12.802 9.664 1.00 0.00 H new ATOM 0 HA GLN A 40 3.877 -11.968 11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.389 -14.300 12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.989 -13.283 12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.565 -14.419 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.993 -15.410 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.966 -16.978 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.249 -17.626 11.433 1.00 0.00 H new ATOM 630 N SER A 41 6.137 -12.877 11.357 1.00 0.00 N ATOM 631 CA SER A 41 7.510 -13.178 10.934 1.00 0.00 C ATOM 632 C SER A 41 8.054 -14.497 11.480 1.00 0.00 C ATOM 633 O SER A 41 7.929 -14.768 12.679 1.00 0.00 O ATOM 634 CB SER A 41 8.468 -12.060 11.325 1.00 0.00 C ATOM 635 OG SER A 41 9.693 -12.250 10.646 1.00 0.00 O ATOM 0 H SER A 41 6.077 -12.282 12.183 1.00 0.00 H new ATOM 0 HA SER A 41 7.450 -13.269 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.041 -11.090 11.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.630 -12.062 12.403 1.00 0.00 H new ATOM 0 HG SER A 41 10.115 -11.381 10.484 1.00 0.00 H new ATOM 641 N PRO A 42 8.775 -15.269 10.646 1.00 0.00 N ATOM 642 CA PRO A 42 9.640 -16.341 11.115 1.00 0.00 C ATOM 643 C PRO A 42 10.855 -15.864 11.937 1.00 0.00 C ATOM 644 O PRO A 42 11.490 -16.688 12.600 1.00 0.00 O ATOM 645 CB PRO A 42 10.084 -17.096 9.854 1.00 0.00 C ATOM 646 CG PRO A 42 9.022 -16.746 8.814 1.00 0.00 C ATOM 647 CD PRO A 42 8.645 -15.319 9.199 1.00 0.00 C ATOM 0 HA PRO A 42 9.090 -16.973 11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.077 -16.782 9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.131 -18.171 10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.414 -16.803 7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.167 -17.420 8.864 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.303 -14.595 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.628 -15.082 8.886 1.00 0.00 H new ATOM 655 N MET A 43 11.204 -14.566 11.891 1.00 0.00 N ATOM 656 CA MET A 43 12.448 -14.011 12.465 1.00 0.00 C ATOM 657 C MET A 43 12.283 -12.780 13.381 1.00 0.00 C ATOM 658 O MET A 43 13.280 -12.200 13.819 1.00 0.00 O ATOM 659 CB MET A 43 13.458 -13.759 11.337 1.00 0.00 C ATOM 660 CG MET A 43 13.192 -12.499 10.502 1.00 0.00 C ATOM 661 SD MET A 43 13.487 -12.701 8.723 1.00 0.00 S ATOM 662 CE MET A 43 12.068 -13.762 8.331 1.00 0.00 C ATOM 0 H MET A 43 10.620 -13.858 11.446 1.00 0.00 H new ATOM 0 HA MET A 43 12.824 -14.770 13.151 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.455 -13.686 11.771 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.462 -14.623 10.673 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.158 -12.189 10.653 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.824 -11.692 10.873 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.419 -14.679 7.858 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.533 -14.008 9.248 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.398 -13.237 7.650 1.00 0.00 H new ATOM 672 N PHE A 44 11.046 -12.372 13.674 1.00 0.00 N ATOM 673 CA PHE A 44 10.710 -11.226 14.531 1.00 0.00 C ATOM 674 C PHE A 44 9.513 -11.539 15.446 1.00 0.00 C ATOM 675 O PHE A 44 8.668 -12.379 15.131 1.00 0.00 O ATOM 676 CB PHE A 44 10.475 -9.980 13.657 1.00 0.00 C ATOM 677 CG PHE A 44 10.067 -8.735 14.423 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.020 -8.032 15.185 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.727 -8.300 14.405 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.632 -6.900 15.925 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.342 -7.168 15.144 1.00 0.00 C ATOM 682 CZ PHE A 44 9.295 -6.468 15.905 1.00 0.00 C ATOM 0 H PHE A 44 10.219 -12.846 13.309 1.00 0.00 H new ATOM 0 HA PHE A 44 11.549 -11.018 15.195 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.388 -9.765 13.102 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.702 -10.208 12.923 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.048 -8.362 15.201 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.994 -8.838 13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.363 -6.362 16.510 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.314 -6.836 15.127 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.000 -5.599 16.474 1.00 0.00 H new ATOM 692 N ASP A 45 9.432 -10.854 16.588 1.00 0.00 N ATOM 693 CA ASP A 45 8.474 -11.107 17.677 1.00 0.00 C ATOM 694 C ASP A 45 7.117 -10.400 17.456 1.00 0.00 C ATOM 695 O ASP A 45 6.564 -9.759 18.357 1.00 0.00 O ATOM 696 CB ASP A 45 9.131 -10.760 19.026 1.00 0.00 C ATOM 697 CG ASP A 45 10.359 -11.639 19.316 1.00 0.00 C ATOM 698 OD1 ASP A 45 10.181 -12.824 19.690 1.00 0.00 O ATOM 699 OD2 ASP A 45 11.507 -11.148 19.185 1.00 0.00 O ATOM 0 H ASP A 45 10.057 -10.074 16.792 1.00 0.00 H new ATOM 0 HA ASP A 45 8.226 -12.168 17.685 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.429 -9.711 19.024 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.401 -10.883 19.826 1.00 0.00 H new ATOM 704 N GLY A 46 6.586 -10.477 16.233 1.00 0.00 N ATOM 705 CA GLY A 46 5.373 -9.788 15.800 1.00 0.00 C ATOM 706 C GLY A 46 5.180 -9.851 14.284 1.00 0.00 C ATOM 707 O GLY A 46 5.690 -10.753 13.606 1.00 0.00 O ATOM 0 H GLY A 46 7.005 -11.041 15.493 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.509 -10.234 16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.418 -8.746 16.115 1.00 0.00 H new ATOM 711 N LYS A 47 4.444 -8.874 13.746 1.00 0.00 N ATOM 712 CA LYS A 47 4.133 -8.756 12.317 1.00 0.00 C ATOM 713 C LYS A 47 5.101 -7.779 11.638 1.00 0.00 C ATOM 714 O LYS A 47 5.526 -6.798 12.251 1.00 0.00 O ATOM 715 CB LYS A 47 2.664 -8.343 12.112 1.00 0.00 C ATOM 716 CG LYS A 47 1.620 -9.171 12.901 1.00 0.00 C ATOM 717 CD LYS A 47 0.754 -10.111 12.046 1.00 0.00 C ATOM 718 CE LYS A 47 -0.128 -9.412 11.000 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.256 -8.647 11.601 1.00 0.00 N ATOM 0 H LYS A 47 4.038 -8.124 14.306 1.00 0.00 H new ATOM 0 HA LYS A 47 4.264 -9.730 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.557 -7.295 12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.430 -8.414 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.142 -9.765 13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.964 -8.485 13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.408 -10.817 11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.113 -10.693 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.488 -8.734 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.528 -10.159 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.752 -8.117 10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.919 -9.306 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.886 -7.982 12.310 1.00 0.00 H new ATOM 733 N VAL A 48 5.432 -8.036 10.373 1.00 0.00 N ATOM 734 CA VAL A 48 6.385 -7.254 9.564 1.00 0.00 C ATOM 735 C VAL A 48 5.794 -6.861 8.199 1.00 0.00 C ATOM 736 O VAL A 48 4.981 -7.617 7.658 1.00 0.00 O ATOM 737 CB VAL A 48 7.725 -7.998 9.382 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.453 -8.166 10.724 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.583 -9.377 8.720 1.00 0.00 C ATOM 0 H VAL A 48 5.033 -8.821 9.859 1.00 0.00 H new ATOM 0 HA VAL A 48 6.582 -6.336 10.118 1.00 0.00 H new ATOM 0 HB VAL A 48 8.308 -7.369 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.393 -8.693 10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.656 -7.185 11.153 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.827 -8.739 11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.566 -9.838 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.942 -10.011 9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.140 -9.262 7.731 1.00 0.00 H new ATOM 749 N PRO A 49 6.158 -5.689 7.635 1.00 0.00 N ATOM 750 CA PRO A 49 5.616 -5.204 6.364 1.00 0.00 C ATOM 751 C PRO A 49 6.335 -5.791 5.135 1.00 0.00 C ATOM 752 O PRO A 49 7.565 -5.769 5.048 1.00 0.00 O ATOM 753 CB PRO A 49 5.767 -3.680 6.415 1.00 0.00 C ATOM 754 CG PRO A 49 7.014 -3.481 7.274 1.00 0.00 C ATOM 755 CD PRO A 49 6.949 -4.640 8.270 1.00 0.00 C ATOM 0 HA PRO A 49 4.578 -5.517 6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.892 -3.254 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.893 -3.203 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.924 -3.517 6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.003 -2.516 7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.949 -5.001 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.491 -4.322 9.206 1.00 0.00 H new ATOM 763 N HIS A 50 5.570 -6.258 4.144 1.00 0.00 N ATOM 764 CA HIS A 50 6.047 -6.605 2.798 1.00 0.00 C ATOM 765 C HIS A 50 5.684 -5.480 1.842 1.00 0.00 C ATOM 766 O HIS A 50 4.519 -5.351 1.490 1.00 0.00 O ATOM 767 CB HIS A 50 5.436 -7.943 2.346 1.00 0.00 C ATOM 768 CG HIS A 50 6.109 -9.159 2.932 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.208 -10.404 2.307 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.717 -9.227 4.150 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.872 -11.194 3.169 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.209 -10.507 4.273 1.00 0.00 N ATOM 0 H HIS A 50 4.568 -6.411 4.258 1.00 0.00 H new ATOM 0 HA HIS A 50 7.130 -6.725 2.805 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.381 -7.958 2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.485 -8.003 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.797 -8.432 4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.102 -12.235 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.738 -10.871 5.066 1.00 0.00 H new ATOM 780 N TRP A 51 6.652 -4.639 1.479 1.00 0.00 N ATOM 781 CA TRP A 51 6.429 -3.412 0.716 1.00 0.00 C ATOM 782 C TRP A 51 6.296 -3.669 -0.786 1.00 0.00 C ATOM 783 O TRP A 51 7.000 -4.494 -1.366 1.00 0.00 O ATOM 784 CB TRP A 51 7.581 -2.438 0.963 1.00 0.00 C ATOM 785 CG TRP A 51 7.705 -1.955 2.370 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.566 -2.427 3.300 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.940 -0.899 3.023 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.383 -1.741 4.484 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.374 -0.808 4.379 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.914 -0.021 2.608 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.797 0.084 5.291 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.326 0.878 3.518 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.761 0.924 4.855 1.00 0.00 C ATOM 0 H TRP A 51 7.633 -4.795 1.712 1.00 0.00 H new ATOM 0 HA TRP A 51 5.486 -2.986 1.059 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.515 -2.922 0.677 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.455 -1.576 0.308 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.285 -3.217 3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.927 -1.904 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.577 -0.040 1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.144 0.125 6.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.536 1.536 3.188 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.296 1.609 5.549 1.00 0.00 H new ATOM 804 N TYR A 52 5.444 -2.900 -1.447 1.00 0.00 N ATOM 805 CA TYR A 52 5.352 -2.869 -2.897 1.00 0.00 C ATOM 806 C TYR A 52 4.930 -1.466 -3.371 1.00 0.00 C ATOM 807 O TYR A 52 4.368 -0.673 -2.608 1.00 0.00 O ATOM 808 CB TYR A 52 4.422 -3.986 -3.426 1.00 0.00 C ATOM 809 CG TYR A 52 4.088 -5.192 -2.551 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.148 -5.099 -1.501 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.662 -6.442 -2.854 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.777 -6.252 -0.773 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.287 -7.593 -2.138 1.00 0.00 C ATOM 814 CZ TYR A 52 3.350 -7.503 -1.093 1.00 0.00 C ATOM 815 OH TYR A 52 3.015 -8.631 -0.411 1.00 0.00 O ATOM 0 H TYR A 52 4.788 -2.271 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 52 6.336 -3.072 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.478 -3.516 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.867 -4.368 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.711 -4.143 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.396 -6.517 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.056 -6.177 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.720 -8.549 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 52 3.511 -9.393 -0.776 1.00 0.00 H new ATOM 825 N HIS A 53 5.190 -1.143 -4.641 1.00 0.00 N ATOM 826 CA HIS A 53 4.603 0.044 -5.292 1.00 0.00 C ATOM 827 C HIS A 53 3.062 0.018 -5.192 1.00 0.00 C ATOM 828 O HIS A 53 2.470 -1.056 -5.052 1.00 0.00 O ATOM 829 CB HIS A 53 5.027 0.110 -6.772 1.00 0.00 C ATOM 830 CG HIS A 53 6.514 0.231 -7.029 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.383 -0.746 -7.536 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.219 1.391 -6.877 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.576 -0.148 -7.681 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.507 1.135 -7.294 1.00 0.00 N ATOM 0 H HIS A 53 5.806 -1.687 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 53 4.972 0.930 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.663 -0.786 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.527 0.961 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.839 2.330 -6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.466 -0.631 -8.056 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.276 1.805 -7.306 1.00 0.00 H new ATOM 842 N PHE A 54 2.395 1.176 -5.306 1.00 0.00 N ATOM 843 CA PHE A 54 0.922 1.246 -5.253 1.00 0.00 C ATOM 844 C PHE A 54 0.252 0.259 -6.235 1.00 0.00 C ATOM 845 O PHE A 54 -0.661 -0.464 -5.847 1.00 0.00 O ATOM 846 CB PHE A 54 0.439 2.678 -5.538 1.00 0.00 C ATOM 847 CG PHE A 54 -1.055 2.779 -5.830 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.006 2.577 -4.809 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.498 3.006 -7.150 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.382 2.580 -5.110 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.873 3.014 -7.447 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.814 2.789 -6.430 1.00 0.00 C ATOM 0 H PHE A 54 2.850 2.079 -5.436 1.00 0.00 H new ATOM 0 HA PHE A 54 0.627 0.958 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.675 3.308 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.993 3.076 -6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.678 2.419 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.778 3.175 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.106 2.421 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.205 3.194 -8.459 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.869 2.777 -6.662 1.00 0.00 H new ATOM 862 N SER A 55 0.731 0.182 -7.483 1.00 0.00 N ATOM 863 CA SER A 55 0.200 -0.719 -8.514 1.00 0.00 C ATOM 864 C SER A 55 0.610 -2.174 -8.278 1.00 0.00 C ATOM 865 O SER A 55 -0.179 -3.085 -8.531 1.00 0.00 O ATOM 866 CB SER A 55 0.662 -0.249 -9.897 1.00 0.00 C ATOM 867 OG SER A 55 2.076 -0.119 -9.929 1.00 0.00 O ATOM 0 H SER A 55 1.511 0.753 -7.810 1.00 0.00 H new ATOM 0 HA SER A 55 -0.888 -0.683 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.339 -0.961 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.197 0.707 -10.137 1.00 0.00 H new ATOM 0 HG SER A 55 2.357 0.180 -10.819 1.00 0.00 H new ATOM 873 N CYS A 56 1.812 -2.404 -7.743 1.00 0.00 N ATOM 874 CA CYS A 56 2.326 -3.726 -7.415 1.00 0.00 C ATOM 875 C CYS A 56 1.497 -4.454 -6.345 1.00 0.00 C ATOM 876 O CYS A 56 1.278 -5.658 -6.476 1.00 0.00 O ATOM 877 CB CYS A 56 3.809 -3.616 -7.057 1.00 0.00 C ATOM 878 SG CYS A 56 4.827 -3.184 -8.527 1.00 0.00 S ATOM 0 H CYS A 56 2.467 -1.654 -7.522 1.00 0.00 H new ATOM 0 HA CYS A 56 2.230 -4.359 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.943 -2.858 -6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.155 -4.561 -6.639 1.00 0.00 H new ATOM 0 HG CYS A 56 5.775 -2.367 -8.174 1.00 0.00 H new ATOM 883 N PHE A 57 0.946 -3.744 -5.354 1.00 0.00 N ATOM 884 CA PHE A 57 -0.030 -4.318 -4.418 1.00 0.00 C ATOM 885 C PHE A 57 -1.218 -4.965 -5.158 1.00 0.00 C ATOM 886 O PHE A 57 -1.592 -6.106 -4.881 1.00 0.00 O ATOM 887 CB PHE A 57 -0.511 -3.228 -3.455 1.00 0.00 C ATOM 888 CG PHE A 57 -1.468 -3.739 -2.395 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.817 -3.979 -2.722 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.012 -4.001 -1.089 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.691 -4.524 -1.769 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.906 -4.486 -0.117 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.239 -4.768 -0.462 1.00 0.00 C ATOM 0 H PHE A 57 1.161 -2.763 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 57 0.458 -5.111 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.353 -2.778 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.001 -2.439 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.180 -3.742 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.023 -3.830 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.710 -4.756 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.567 -4.642 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.915 -5.172 0.277 1.00 0.00 H new ATOM 903 N TRP A 58 -1.782 -4.280 -6.154 1.00 0.00 N ATOM 904 CA TRP A 58 -2.911 -4.789 -6.943 1.00 0.00 C ATOM 905 C TRP A 58 -2.505 -5.854 -7.984 1.00 0.00 C ATOM 906 O TRP A 58 -3.368 -6.601 -8.449 1.00 0.00 O ATOM 907 CB TRP A 58 -3.664 -3.611 -7.571 1.00 0.00 C ATOM 908 CG TRP A 58 -4.021 -2.506 -6.616 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.435 -1.290 -6.622 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.971 -2.474 -5.496 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.876 -0.545 -5.551 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.838 -1.214 -4.828 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.946 -3.361 -4.978 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.615 -0.858 -3.716 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.737 -3.011 -3.866 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.572 -1.765 -3.240 1.00 0.00 C ATOM 0 H TRP A 58 -1.469 -3.352 -6.439 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.582 -5.317 -6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.054 -3.195 -8.373 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.580 -3.986 -8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.723 -0.950 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.532 0.388 -5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.086 -4.325 -5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.478 0.099 -3.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.475 -3.705 -3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.184 -1.505 -2.389 1.00 0.00 H new ATOM 927 N LYS A 59 -1.205 -5.995 -8.296 1.00 0.00 N ATOM 928 CA LYS A 59 -0.641 -7.121 -9.072 1.00 0.00 C ATOM 929 C LYS A 59 -0.352 -8.352 -8.196 1.00 0.00 C ATOM 930 O LYS A 59 -0.320 -9.470 -8.710 1.00 0.00 O ATOM 931 CB LYS A 59 0.615 -6.670 -9.844 1.00 0.00 C ATOM 932 CG LYS A 59 0.302 -5.643 -10.951 1.00 0.00 C ATOM 933 CD LYS A 59 1.546 -5.139 -11.707 1.00 0.00 C ATOM 934 CE LYS A 59 2.475 -4.385 -10.751 1.00 0.00 C ATOM 935 NZ LYS A 59 3.645 -3.751 -11.403 1.00 0.00 N ATOM 0 H LYS A 59 -0.499 -5.316 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.397 -7.429 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.329 -6.236 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.094 -7.542 -10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.387 -6.093 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.211 -4.790 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.076 -5.981 -12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.244 -4.484 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.900 -3.615 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.831 -5.078 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.306 -3.411 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.125 -4.448 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.327 -2.949 -11.984 1.00 0.00 H new ATOM 949 N VAL A 60 -0.185 -8.172 -6.880 1.00 0.00 N ATOM 950 CA VAL A 60 -0.244 -9.249 -5.867 1.00 0.00 C ATOM 951 C VAL A 60 -1.703 -9.669 -5.617 1.00 0.00 C ATOM 952 O VAL A 60 -1.984 -10.851 -5.412 1.00 0.00 O ATOM 953 CB VAL A 60 0.475 -8.812 -4.572 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.353 -9.829 -3.432 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.969 -8.608 -4.839 1.00 0.00 C ATOM 0 H VAL A 60 -0.001 -7.255 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 60 0.282 -10.126 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.014 -7.887 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.881 -9.457 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.699 -9.976 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.790 -10.778 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.464 -8.300 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.406 -9.542 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.101 -7.836 -5.598 1.00 0.00 H new ATOM 965 N GLY A 61 -2.648 -8.728 -5.733 1.00 0.00 N ATOM 966 CA GLY A 61 -4.075 -9.008 -5.941 1.00 0.00 C ATOM 967 C GLY A 61 -4.883 -9.350 -4.683 1.00 0.00 C ATOM 968 O GLY A 61 -5.968 -9.926 -4.794 1.00 0.00 O ATOM 0 H GLY A 61 -2.439 -7.731 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.530 -8.139 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.164 -9.838 -6.642 1.00 0.00 H new ATOM 972 N HIS A 62 -4.382 -9.012 -3.491 1.00 0.00 N ATOM 973 CA HIS A 62 -5.126 -9.161 -2.231 1.00 0.00 C ATOM 974 C HIS A 62 -6.309 -8.179 -2.180 1.00 0.00 C ATOM 975 O HIS A 62 -6.158 -6.999 -2.509 1.00 0.00 O ATOM 976 CB HIS A 62 -4.185 -8.968 -1.029 1.00 0.00 C ATOM 977 CG HIS A 62 -3.320 -10.164 -0.692 1.00 0.00 C ATOM 978 ND1 HIS A 62 -2.974 -10.557 0.606 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.756 -11.043 -1.574 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.205 -11.652 0.473 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.059 -11.965 -0.825 1.00 0.00 N ATOM 0 H HIS A 62 -3.446 -8.626 -3.370 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.533 -10.171 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.537 -8.115 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.785 -8.715 -0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.841 -11.019 -2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.767 -12.202 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.523 -12.751 -1.193 1.00 0.00 H new ATOM 989 N SER A 63 -7.492 -8.657 -1.782 1.00 0.00 N ATOM 990 CA SER A 63 -8.718 -7.849 -1.730 1.00 0.00 C ATOM 991 C SER A 63 -8.830 -7.026 -0.448 1.00 0.00 C ATOM 992 O SER A 63 -8.359 -7.418 0.621 1.00 0.00 O ATOM 993 CB SER A 63 -9.965 -8.716 -1.952 1.00 0.00 C ATOM 994 OG SER A 63 -10.165 -9.644 -0.893 1.00 0.00 O ATOM 0 H SER A 63 -7.629 -9.623 -1.484 1.00 0.00 H new ATOM 0 HA SER A 63 -8.654 -7.133 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.841 -8.074 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.868 -9.256 -2.894 1.00 0.00 H new ATOM 0 HG SER A 63 -10.969 -10.175 -1.071 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.480 -5.869 -0.562 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.703 -4.923 0.533 1.00 0.00 C ATOM 1002 C ILE A 64 -11.182 -4.519 0.502 1.00 0.00 C ATOM 1003 O ILE A 64 -11.715 -4.176 -0.557 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.761 -3.706 0.413 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.306 -4.065 0.028 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.810 -2.913 1.730 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.338 -2.877 0.099 1.00 0.00 C ATOM 0 H ILE A 64 -9.879 -5.553 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.474 -5.384 1.494 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.121 -3.096 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.948 -4.854 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.297 -4.470 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.149 -2.049 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.830 -2.575 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.486 -3.552 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.338 -3.205 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.671 -2.095 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.317 -2.485 1.116 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.855 -4.614 1.651 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.327 -4.557 1.780 1.00 0.00 C ATOM 1021 C ARG A 65 -13.807 -3.544 2.824 1.00 0.00 C ATOM 1022 O ARG A 65 -14.953 -3.097 2.760 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.914 -5.975 1.997 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.106 -6.911 2.920 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.005 -7.691 2.176 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.798 -7.815 3.009 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.886 -8.763 2.985 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.844 -9.713 2.092 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.977 -8.744 3.906 1.00 0.00 N ATOM 0 H ARG A 65 -11.384 -4.736 2.548 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.718 -4.181 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.918 -5.871 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.016 -6.457 1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.651 -6.322 3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.786 -7.618 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.372 -8.682 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.759 -7.182 1.244 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.650 -7.072 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.547 -9.751 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.108 -10.418 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.985 -8.012 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.252 -9.462 3.922 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.923 -3.119 3.726 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.084 -1.948 4.596 1.00 0.00 C ATOM 1045 C HIS A 66 -11.754 -1.177 4.670 1.00 0.00 C ATOM 1046 O HIS A 66 -11.066 -1.202 5.691 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.740 -2.312 5.949 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.193 -3.460 6.779 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.873 -4.708 6.330 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.125 -3.483 8.177 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.551 -5.474 7.424 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.714 -4.717 8.517 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.037 -3.600 3.879 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.803 -1.252 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.710 -1.419 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.790 -2.528 5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.357 -2.670 8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.225 -6.503 7.406 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.549 -5.032 9.473 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.337 -0.522 3.565 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.966 -0.044 3.381 1.00 0.00 C ATOM 1062 C PRO A 67 -9.484 0.968 4.420 1.00 0.00 C ATOM 1063 O PRO A 67 -8.342 0.875 4.854 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.904 0.539 1.959 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.366 0.815 1.623 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.094 -0.312 2.338 1.00 0.00 C ATOM 0 HA PRO A 67 -9.284 -0.883 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.305 1.449 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.456 -0.164 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.685 1.794 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.545 0.794 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.128 -0.042 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.120 -1.216 1.729 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.335 1.877 4.898 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.953 2.839 5.941 1.00 0.00 C ATOM 1076 C ASP A 68 -9.773 2.192 7.332 1.00 0.00 C ATOM 1077 O ASP A 68 -9.264 2.833 8.255 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.919 4.032 5.943 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.379 3.627 6.172 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.818 3.542 7.342 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.090 3.413 5.160 1.00 0.00 O ATOM 0 H ASP A 68 -11.299 1.970 4.579 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.962 3.219 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.617 4.734 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.839 4.557 4.991 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.156 0.915 7.474 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.937 0.079 8.661 1.00 0.00 C ATOM 1088 C VAL A 69 -8.728 -0.847 8.477 1.00 0.00 C ATOM 1089 O VAL A 69 -7.915 -0.983 9.393 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.188 -0.767 8.983 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.080 -1.418 10.366 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.491 0.043 8.936 1.00 0.00 C ATOM 0 H VAL A 69 -10.648 0.416 6.733 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.739 0.753 9.494 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.225 -1.530 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.976 -2.006 10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.206 -2.068 10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.981 -0.643 11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.333 -0.608 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.443 0.852 9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.624 0.461 7.938 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.600 -1.483 7.307 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.598 -2.531 7.027 1.00 0.00 C ATOM 1104 C GLU A 70 -6.249 -1.984 6.548 1.00 0.00 C ATOM 1105 O GLU A 70 -5.209 -2.569 6.857 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.127 -3.502 5.950 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.427 -4.240 6.287 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.868 -5.145 5.120 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.498 -4.658 4.148 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.601 -6.370 5.166 1.00 0.00 O ATOM 0 H GLU A 70 -9.201 -1.283 6.507 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.435 -3.038 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.280 -2.941 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.354 -4.244 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.285 -4.842 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.213 -3.517 6.508 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.267 -0.879 5.800 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.092 -0.166 5.294 1.00 0.00 C ATOM 1119 C VAL A 71 -4.654 0.859 6.330 1.00 0.00 C ATOM 1120 O VAL A 71 -5.171 1.970 6.435 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.349 0.453 3.919 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.010 0.922 3.376 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.899 -0.585 2.935 1.00 0.00 C ATOM 0 H VAL A 71 -7.141 -0.436 5.517 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.276 -0.873 5.142 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.072 1.262 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.153 1.371 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.581 1.661 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.334 0.071 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.071 -0.114 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.179 -1.395 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.839 -0.985 3.316 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.658 0.459 7.103 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.930 1.326 8.012 1.00 0.00 C ATOM 1135 C ASP A 72 -2.162 2.420 7.241 1.00 0.00 C ATOM 1136 O ASP A 72 -1.695 2.202 6.126 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.035 0.413 8.849 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.178 1.189 9.851 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.742 1.932 10.687 1.00 0.00 O ATOM 1140 OD2 ASP A 72 0.067 1.073 9.767 1.00 0.00 O ATOM 0 H ASP A 72 -3.325 -0.505 7.115 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.595 1.881 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.655 -0.305 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.385 -0.159 8.187 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.077 3.626 7.798 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.441 4.793 7.169 1.00 0.00 C ATOM 1147 C GLY A 73 -2.322 5.534 6.149 1.00 0.00 C ATOM 1148 O GLY A 73 -1.958 6.621 5.697 1.00 0.00 O ATOM 0 H GLY A 73 -2.457 3.829 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.146 5.494 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.528 4.467 6.671 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.522 5.021 5.848 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.531 5.685 5.006 1.00 0.00 C ATOM 1154 C PHE A 74 -4.931 7.076 5.538 1.00 0.00 C ATOM 1155 O PHE A 74 -5.216 7.989 4.762 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.745 4.750 4.925 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.912 5.274 4.116 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.963 5.046 2.729 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.955 5.977 4.752 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.055 5.519 1.982 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.042 6.455 4.002 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.090 6.226 2.618 1.00 0.00 C ATOM 0 H PHE A 74 -3.828 4.110 6.191 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.112 5.866 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.424 3.801 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.091 4.542 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.164 4.509 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.918 6.148 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.099 5.339 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.839 6.997 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.925 6.594 2.040 1.00 0.00 H new ATOM 1172 N SER A 75 -4.879 7.266 6.859 1.00 0.00 N ATOM 1173 CA SER A 75 -5.078 8.550 7.547 1.00 0.00 C ATOM 1174 C SER A 75 -4.027 9.620 7.212 1.00 0.00 C ATOM 1175 O SER A 75 -4.294 10.811 7.387 1.00 0.00 O ATOM 1176 CB SER A 75 -5.066 8.312 9.062 1.00 0.00 C ATOM 1177 OG SER A 75 -3.949 7.518 9.441 1.00 0.00 O ATOM 0 H SER A 75 -4.690 6.501 7.507 1.00 0.00 H new ATOM 0 HA SER A 75 -6.036 8.935 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.032 9.268 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.989 7.817 9.364 1.00 0.00 H new ATOM 0 HG SER A 75 -3.960 7.380 10.411 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.848 9.229 6.718 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.748 10.140 6.370 1.00 0.00 C ATOM 1185 C GLU A 76 -1.758 10.565 4.885 1.00 0.00 C ATOM 1186 O GLU A 76 -1.018 11.473 4.495 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.394 9.520 6.760 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.315 9.149 8.248 1.00 0.00 C ATOM 1189 CD GLU A 76 1.123 8.763 8.647 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.920 9.667 9.003 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.464 7.556 8.623 1.00 0.00 O ATOM 0 H GLU A 76 -2.625 8.249 6.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.900 11.053 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.222 8.628 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.404 10.223 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.651 9.990 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.989 8.318 8.455 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.605 9.942 4.056 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.845 10.342 2.665 1.00 0.00 C ATOM 1200 C LEU A 77 -3.694 11.624 2.574 1.00 0.00 C ATOM 1201 O LEU A 77 -4.516 11.904 3.454 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.542 9.204 1.902 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.751 7.896 1.736 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.638 6.920 0.958 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.441 8.078 0.973 1.00 0.00 C ATOM 0 H LEU A 77 -3.153 9.130 4.340 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.876 10.550 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.476 8.974 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.804 9.571 0.910 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.491 7.529 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.108 5.977 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.558 6.741 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.880 7.346 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.932 7.118 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.651 8.464 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.803 8.782 1.507 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.558 12.369 1.469 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.501 13.439 1.095 1.00 0.00 C ATOM 1219 C ARG A 78 -5.819 12.868 0.582 1.00 0.00 C ATOM 1220 O ARG A 78 -5.879 11.729 0.117 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.874 14.395 0.057 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.933 15.429 0.690 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.714 16.464 1.515 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.821 17.517 2.039 1.00 0.00 N ATOM 1225 CZ ARG A 78 -3.174 18.573 2.751 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.413 18.809 3.081 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -2.275 19.428 3.150 1.00 0.00 N ATOM 0 H ARG A 78 -2.792 12.249 0.807 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.718 14.013 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.322 13.812 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.669 14.914 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.210 14.922 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.368 15.936 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.489 16.916 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.218 15.966 2.343 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.828 17.419 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.150 18.167 2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.646 19.635 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.293 19.284 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.553 20.241 3.699 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.866 13.694 0.621 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.226 13.325 0.214 1.00 0.00 C ATOM 1243 C TRP A 79 -8.287 12.702 -1.196 1.00 0.00 C ATOM 1244 O TRP A 79 -9.032 11.746 -1.416 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.153 14.547 0.362 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.193 14.723 -0.704 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.444 14.206 -0.709 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.052 15.436 -1.969 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.081 14.553 -1.887 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.266 15.309 -2.705 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.000 16.158 -2.569 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.432 15.881 -3.976 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.150 16.728 -3.847 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.363 16.593 -4.551 1.00 0.00 C ATOM 0 H TRP A 79 -6.792 14.659 0.943 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.578 12.536 0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.658 14.479 1.325 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.535 15.444 0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.878 13.614 0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.036 14.283 -2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.066 16.275 -2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.367 15.776 -4.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.330 17.273 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.472 17.035 -5.530 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.463 13.181 -2.136 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.453 12.687 -3.516 1.00 0.00 C ATOM 1267 C ASP A 80 -6.862 11.271 -3.661 1.00 0.00 C ATOM 1268 O ASP A 80 -7.290 10.511 -4.529 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.727 13.681 -4.429 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.935 13.335 -5.916 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.100 13.115 -6.329 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.937 13.310 -6.676 1.00 0.00 O ATOM 0 H ASP A 80 -6.785 13.922 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.495 12.605 -3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.092 14.689 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.662 13.677 -4.199 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.914 10.880 -2.803 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.413 9.508 -2.753 1.00 0.00 C ATOM 1279 C ASP A 81 -6.269 8.620 -1.848 1.00 0.00 C ATOM 1280 O ASP A 81 -6.450 7.448 -2.154 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.934 9.444 -2.381 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.046 10.029 -3.486 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.985 9.424 -4.583 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.390 11.068 -3.240 1.00 0.00 O ATOM 0 H ASP A 81 -5.475 11.505 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.497 9.109 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.768 9.991 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.650 8.408 -2.196 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.890 9.160 -0.796 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.908 8.432 -0.037 1.00 0.00 C ATOM 1291 C GLN A 82 -9.049 7.975 -0.957 1.00 0.00 C ATOM 1292 O GLN A 82 -9.374 6.787 -0.983 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.428 9.293 1.125 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.391 9.381 2.253 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.861 10.198 3.456 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.765 11.023 3.391 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.252 10.009 4.605 1.00 0.00 N ATOM 0 H GLN A 82 -6.704 10.102 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.454 7.537 0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.663 10.294 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.355 8.868 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.141 8.373 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.476 9.823 1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.498 9.326 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.534 10.545 5.426 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.595 8.865 -1.793 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.663 8.490 -2.724 1.00 0.00 C ATOM 1308 C GLN A 83 -10.195 7.553 -3.853 1.00 0.00 C ATOM 1309 O GLN A 83 -10.985 6.713 -4.276 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.424 9.728 -3.237 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.647 10.610 -4.228 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.379 11.904 -4.602 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.532 12.139 -4.258 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.758 12.801 -5.339 1.00 0.00 N ATOM 0 H GLN A 83 -9.316 9.845 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.376 7.894 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.345 9.396 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.712 10.338 -2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.679 10.862 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.452 10.038 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.798 12.636 -5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.237 13.661 -5.607 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.927 7.604 -4.307 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.414 6.712 -5.355 1.00 0.00 C ATOM 1325 C LYS A 84 -8.070 5.343 -4.803 1.00 0.00 C ATOM 1326 O LYS A 84 -8.334 4.351 -5.468 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.269 7.372 -6.145 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.840 7.279 -5.597 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.067 6.075 -6.142 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.580 6.107 -5.763 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.868 7.283 -6.333 1.00 0.00 N ATOM 0 H LYS A 84 -8.234 8.265 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.211 6.542 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.267 6.939 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.511 8.429 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.301 8.193 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.877 7.218 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.515 5.157 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.161 6.049 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.486 6.122 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.100 5.193 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.938 6.986 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.428 7.683 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.740 8.003 -5.594 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.553 5.264 -3.576 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.243 3.983 -2.920 1.00 0.00 C ATOM 1347 C VAL A 85 -8.537 3.250 -2.554 1.00 0.00 C ATOM 1348 O VAL A 85 -8.657 2.059 -2.843 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.322 4.205 -1.700 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.131 2.949 -0.837 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.934 4.667 -2.170 1.00 0.00 C ATOM 0 H VAL A 85 -7.336 6.082 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.696 3.345 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.816 4.961 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.473 3.180 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.098 2.617 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.686 2.157 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.290 4.822 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.497 3.906 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.029 5.602 -2.723 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.553 3.959 -2.034 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.885 3.371 -1.798 1.00 0.00 C ATOM 1363 C LYS A 86 -11.576 2.975 -3.105 1.00 0.00 C ATOM 1364 O LYS A 86 -12.046 1.843 -3.209 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.767 4.296 -0.940 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.208 4.410 0.490 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.149 5.046 1.528 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.446 4.252 1.677 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.199 4.619 2.904 1.00 0.00 N ATOM 0 H LYS A 86 -9.478 4.941 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.734 2.452 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.817 5.285 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.785 3.908 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.939 3.412 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.288 4.994 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.643 5.101 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.381 6.069 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.075 4.423 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.216 3.187 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.160 4.225 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.712 4.234 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.253 5.655 2.982 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.553 3.828 -4.138 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.112 3.494 -5.464 1.00 0.00 C ATOM 1385 C LYS A 87 -11.399 2.299 -6.092 1.00 0.00 C ATOM 1386 O LYS A 87 -12.062 1.424 -6.633 1.00 0.00 O ATOM 1387 CB LYS A 87 -12.108 4.739 -6.373 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.776 4.542 -7.746 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.810 4.106 -8.860 1.00 0.00 C ATOM 1390 CE LYS A 87 -12.570 3.998 -10.188 1.00 0.00 C ATOM 1391 NZ LYS A 87 -11.668 3.635 -11.313 1.00 0.00 N ATOM 0 H LYS A 87 -11.150 4.764 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.150 3.187 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.614 5.552 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.076 5.053 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.564 3.795 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.256 5.475 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.997 4.826 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.359 3.146 -8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.357 3.249 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.058 4.948 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.219 3.572 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.932 4.363 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.221 2.716 -11.117 1.00 0.00 H new ATOM 1405 N THR A 88 -10.076 2.204 -5.965 1.00 0.00 N ATOM 1406 CA THR A 88 -9.283 1.071 -6.464 1.00 0.00 C ATOM 1407 C THR A 88 -9.604 -0.234 -5.731 1.00 0.00 C ATOM 1408 O THR A 88 -9.671 -1.287 -6.366 1.00 0.00 O ATOM 1409 CB THR A 88 -7.782 1.374 -6.394 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.486 2.496 -7.195 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.955 0.239 -6.973 1.00 0.00 C ATOM 0 H THR A 88 -9.513 2.920 -5.507 1.00 0.00 H new ATOM 0 HA THR A 88 -9.561 0.931 -7.509 1.00 0.00 H new ATOM 0 HB THR A 88 -7.544 1.532 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.555 3.311 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.896 0.489 -6.906 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.148 -0.675 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.227 0.087 -8.018 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.878 -0.183 -4.425 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.293 -1.343 -3.644 1.00 0.00 C ATOM 1421 C ALA A 89 -11.707 -1.798 -4.044 1.00 0.00 C ATOM 1422 O ALA A 89 -11.954 -2.996 -4.191 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.198 -0.978 -2.162 1.00 0.00 C ATOM 0 H ALA A 89 -9.816 0.675 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.636 -2.190 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.504 -1.831 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.170 -0.710 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.852 -0.132 -1.953 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.615 -0.852 -4.316 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.951 -1.153 -4.848 1.00 0.00 C ATOM 1431 C GLU A 90 -13.906 -1.694 -6.291 1.00 0.00 C ATOM 1432 O GLU A 90 -14.699 -2.561 -6.666 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.857 0.089 -4.787 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.227 0.481 -3.352 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.211 1.666 -3.342 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.765 2.839 -3.331 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.446 1.432 -3.340 1.00 0.00 O ATOM 0 H GLU A 90 -12.445 0.144 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.366 -1.937 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.352 0.926 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.768 -0.103 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.674 -0.372 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.326 0.747 -2.800 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.949 -1.214 -7.088 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.689 -1.615 -8.468 1.00 0.00 C ATOM 1446 C ALA A 91 -11.923 -2.954 -8.599 1.00 0.00 C ATOM 1447 O ALA A 91 -11.797 -3.485 -9.705 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.936 -0.454 -9.134 1.00 0.00 C ATOM 0 H ALA A 91 -12.300 -0.495 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.637 -1.810 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.719 -0.709 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.552 0.445 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.002 -0.273 -8.602 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.418 -3.510 -7.491 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.670 -4.773 -7.459 1.00 0.00 C ATOM 1456 C GLY A 92 -9.231 -4.682 -7.989 1.00 0.00 C ATOM 1457 O GLY A 92 -8.698 -5.683 -8.474 1.00 0.00 O ATOM 0 H GLY A 92 -11.521 -3.084 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.642 -5.137 -6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.212 -5.515 -8.045 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.600 -3.503 -7.912 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.226 -3.253 -8.341 1.00 0.00 C ATOM 1463 C GLY A 93 -7.101 -2.454 -9.640 1.00 0.00 C ATOM 1464 O GLY A 93 -7.958 -2.520 -10.525 1.00 0.00 O ATOM 0 H GLY A 93 -9.052 -2.670 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.703 -2.717 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.719 -4.209 -8.468 1.00 0.00 H new