USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 411 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 37 TYR OH : rot 0:sc= -0.722 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 175:sc= 0.023 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 156:sc= 0.735 (180deg=0.482) USER MOD Set 2.2: A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.134 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0153) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.75 USER MOD Single : A 18 SER OG : rot 180:sc= 0.138 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 52 TYR OH : rot 121:sc= 0.48 USER MOD Single : A 55 MET CE :methyl 150:sc= -0.112 (180deg=-0.942) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -1.31 (180deg=-1.76) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.879 -4.089 -30.968 1.00 0.00 N ATOM 125 CA MET A 1 -4.827 -5.179 -30.607 1.00 0.00 C ATOM 126 C MET A 1 -5.564 -4.797 -29.354 1.00 0.00 C ATOM 127 O MET A 1 -5.419 -3.693 -28.855 1.00 0.00 O ATOM 128 CB MET A 1 -4.065 -6.481 -30.369 1.00 0.00 C ATOM 129 CG MET A 1 -3.962 -7.247 -31.675 1.00 0.00 C ATOM 130 SD MET A 1 -2.574 -8.406 -31.594 1.00 0.00 S ATOM 131 CE MET A 1 -3.366 -9.772 -32.477 1.00 0.00 C ATOM 0 H1 MET A 1 -4.195 -3.631 -31.846 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.850 -3.386 -30.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.929 -4.488 -31.108 1.00 0.00 H new ATOM 0 HA MET A 1 -5.533 -5.325 -31.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.070 -6.267 -29.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.578 -7.084 -29.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.889 -7.788 -31.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.822 -6.554 -32.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.674 -10.611 -32.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.262 -10.082 -31.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.640 -9.446 -33.480 1.00 0.00 H new ATOM 141 N GLU A 2 -6.353 -5.693 -28.826 1.00 0.00 N ATOM 142 CA GLU A 2 -7.086 -5.392 -27.613 1.00 0.00 C ATOM 143 C GLU A 2 -6.731 -6.450 -26.599 1.00 0.00 C ATOM 144 O GLU A 2 -6.004 -7.382 -26.890 1.00 0.00 O ATOM 145 CB GLU A 2 -8.587 -5.432 -27.913 1.00 0.00 C ATOM 146 CG GLU A 2 -9.250 -4.141 -27.432 1.00 0.00 C ATOM 147 CD GLU A 2 -10.550 -3.914 -28.205 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.472 -4.689 -28.015 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.600 -2.969 -28.975 1.00 0.00 O ATOM 0 H GLU A 2 -6.508 -6.627 -29.205 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.833 -4.403 -27.232 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.749 -5.557 -28.984 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.042 -6.290 -27.419 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.456 -4.202 -26.363 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.576 -3.297 -27.579 1.00 0.00 H new ATOM 156 N ALA A 3 -7.233 -6.315 -25.430 1.00 0.00 N ATOM 157 CA ALA A 3 -6.942 -7.306 -24.376 1.00 0.00 C ATOM 158 C ALA A 3 -8.003 -7.245 -23.291 1.00 0.00 C ATOM 159 O ALA A 3 -8.229 -6.228 -22.673 1.00 0.00 O ATOM 160 CB ALA A 3 -5.591 -7.023 -23.798 1.00 0.00 C ATOM 0 H ALA A 3 -7.845 -5.550 -25.146 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.950 -8.308 -24.806 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.369 -7.752 -23.018 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.838 -7.091 -24.583 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.581 -6.020 -23.371 1.00 0.00 H new ATOM 166 N ILE A 4 -8.669 -8.336 -23.087 1.00 0.00 N ATOM 167 CA ILE A 4 -9.757 -8.406 -22.081 1.00 0.00 C ATOM 168 C ILE A 4 -9.241 -8.183 -20.679 1.00 0.00 C ATOM 169 O ILE A 4 -8.423 -8.922 -20.167 1.00 0.00 O ATOM 170 CB ILE A 4 -10.422 -9.776 -22.175 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.439 -9.963 -21.029 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.375 -10.879 -22.117 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.722 -10.481 -21.601 1.00 0.00 C ATOM 0 H ILE A 4 -8.502 -9.208 -23.589 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.476 -7.615 -22.293 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.948 -9.835 -23.128 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.048 -10.660 -20.288 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.609 -9.016 -20.517 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.865 -11.850 -22.185 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.679 -10.765 -22.948 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.829 -10.813 -21.176 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.449 -10.617 -20.800 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -13.111 -9.767 -22.327 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.541 -11.437 -22.093 1.00 0.00 H new ATOM 185 N ALA A 5 -9.781 -7.203 -20.036 1.00 0.00 N ATOM 186 CA ALA A 5 -9.394 -6.950 -18.614 1.00 0.00 C ATOM 187 C ALA A 5 -9.980 -8.092 -17.776 1.00 0.00 C ATOM 188 O ALA A 5 -11.126 -8.062 -17.379 1.00 0.00 O ATOM 189 CB ALA A 5 -9.965 -5.621 -18.127 1.00 0.00 C ATOM 0 H ALA A 5 -10.473 -6.561 -20.422 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.309 -6.904 -18.523 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.671 -5.457 -17.090 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.580 -4.811 -18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.053 -5.645 -18.197 1.00 0.00 H new ATOM 195 N LYS A 6 -9.205 -9.115 -17.540 1.00 0.00 N ATOM 196 CA LYS A 6 -9.701 -10.302 -16.763 1.00 0.00 C ATOM 197 C LYS A 6 -10.356 -9.878 -15.443 1.00 0.00 C ATOM 198 O LYS A 6 -11.224 -10.563 -14.932 1.00 0.00 O ATOM 199 CB LYS A 6 -8.525 -11.227 -16.451 1.00 0.00 C ATOM 200 CG LYS A 6 -7.923 -11.734 -17.755 1.00 0.00 C ATOM 201 CD LYS A 6 -6.584 -12.416 -17.475 1.00 0.00 C ATOM 202 CE LYS A 6 -6.823 -13.865 -17.042 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.785 -13.952 -15.556 1.00 0.00 N ATOM 0 H LYS A 6 -8.237 -9.186 -17.853 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.447 -10.814 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.771 -10.693 -15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.859 -12.066 -15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.606 -12.436 -18.233 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.781 -10.905 -18.448 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.959 -12.392 -18.368 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.047 -11.877 -16.695 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.787 -14.212 -17.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.063 -14.515 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.325 -14.784 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.799 -14.040 -15.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.205 -13.093 -15.147 1.00 0.00 H new ATOM 217 N TYR A 7 -9.944 -8.770 -14.880 1.00 0.00 N ATOM 218 CA TYR A 7 -10.542 -8.325 -13.574 1.00 0.00 C ATOM 219 C TYR A 7 -10.511 -6.813 -13.473 1.00 0.00 C ATOM 220 O TYR A 7 -10.214 -6.115 -14.424 1.00 0.00 O ATOM 221 CB TYR A 7 -9.748 -8.915 -12.398 1.00 0.00 C ATOM 222 CG TYR A 7 -9.458 -10.379 -12.628 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.456 -11.337 -12.426 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.183 -10.771 -13.038 1.00 0.00 C ATOM 225 CE1 TYR A 7 -10.176 -12.693 -12.634 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.899 -12.121 -13.248 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.895 -13.086 -13.046 1.00 0.00 C ATOM 228 OH TYR A 7 -8.615 -14.422 -13.252 1.00 0.00 O ATOM 0 H TYR A 7 -9.225 -8.155 -15.261 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.573 -8.676 -13.534 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.813 -8.369 -12.275 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.313 -8.792 -11.474 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.442 -11.031 -12.110 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.415 -10.028 -13.193 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.945 -13.435 -12.477 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.912 -12.422 -13.566 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.429 -14.886 -13.539 1.00 0.00 H new ATOM 238 N ASP A 8 -10.838 -6.308 -12.319 1.00 0.00 N ATOM 239 CA ASP A 8 -10.861 -4.848 -12.107 1.00 0.00 C ATOM 240 C ASP A 8 -9.508 -4.370 -11.539 1.00 0.00 C ATOM 241 O ASP A 8 -8.696 -5.155 -11.098 1.00 0.00 O ATOM 242 CB ASP A 8 -12.015 -4.531 -11.151 1.00 0.00 C ATOM 243 CG ASP A 8 -11.696 -5.017 -9.725 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.868 -6.198 -9.471 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.286 -4.198 -8.920 1.00 0.00 O ATOM 0 H ASP A 8 -11.094 -6.862 -11.502 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.015 -4.323 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.199 -3.457 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.928 -5.008 -11.506 1.00 0.00 H new ATOM 250 N PHE A 9 -9.280 -3.081 -11.555 1.00 0.00 N ATOM 251 CA PHE A 9 -7.996 -2.507 -11.034 1.00 0.00 C ATOM 252 C PHE A 9 -7.948 -1.013 -11.383 1.00 0.00 C ATOM 253 O PHE A 9 -8.819 -0.498 -12.058 1.00 0.00 O ATOM 254 CB PHE A 9 -6.785 -3.225 -11.686 1.00 0.00 C ATOM 255 CG PHE A 9 -5.819 -3.690 -10.615 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.293 -4.382 -9.492 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.451 -3.426 -10.748 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.400 -4.809 -8.503 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.556 -3.854 -9.758 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.030 -4.545 -8.636 1.00 0.00 C ATOM 0 H PHE A 9 -9.939 -2.389 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.948 -2.646 -9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.129 -4.078 -12.271 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.279 -2.549 -12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.349 -4.586 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.085 -2.893 -11.613 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.766 -5.342 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.500 -3.651 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.340 -4.874 -7.873 1.00 0.00 H new ATOM 270 N LYS A 10 -6.936 -0.321 -10.927 1.00 0.00 N ATOM 271 CA LYS A 10 -6.821 1.141 -11.232 1.00 0.00 C ATOM 272 C LYS A 10 -5.408 1.467 -11.668 1.00 0.00 C ATOM 273 O LYS A 10 -4.541 0.611 -11.702 1.00 0.00 O ATOM 274 CB LYS A 10 -7.207 1.962 -9.986 1.00 0.00 C ATOM 275 CG LYS A 10 -6.176 1.754 -8.867 1.00 0.00 C ATOM 276 CD LYS A 10 -6.879 1.747 -7.510 1.00 0.00 C ATOM 277 CE LYS A 10 -5.986 1.053 -6.479 1.00 0.00 C ATOM 278 NZ LYS A 10 -6.134 -0.424 -6.608 1.00 0.00 N ATOM 0 H LYS A 10 -6.182 -0.704 -10.356 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.501 1.397 -12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.265 3.020 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.196 1.664 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.647 0.813 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.429 2.548 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.093 2.768 -7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.835 1.230 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.946 1.340 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.260 1.370 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.246 -0.888 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.904 -0.751 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.356 -0.666 -7.595 1.00 0.00 H new ATOM 292 N ALA A 11 -5.175 2.702 -12.004 1.00 0.00 N ATOM 293 CA ALA A 11 -3.830 3.101 -12.444 1.00 0.00 C ATOM 294 C ALA A 11 -2.916 3.163 -11.211 1.00 0.00 C ATOM 295 O ALA A 11 -3.308 3.663 -10.172 1.00 0.00 O ATOM 296 CB ALA A 11 -3.887 4.467 -13.114 1.00 0.00 C ATOM 0 H ALA A 11 -5.868 3.450 -11.990 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.443 2.378 -13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.887 4.756 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.549 4.421 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.266 5.204 -12.406 1.00 0.00 H new ATOM 302 N THR A 12 -1.714 2.657 -11.310 1.00 0.00 N ATOM 303 CA THR A 12 -0.786 2.685 -10.133 1.00 0.00 C ATOM 304 C THR A 12 0.445 3.534 -10.462 1.00 0.00 C ATOM 305 O THR A 12 1.561 3.185 -10.123 1.00 0.00 O ATOM 306 CB THR A 12 -0.351 1.257 -9.788 1.00 0.00 C ATOM 307 OG1 THR A 12 0.017 0.577 -10.980 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.506 0.516 -9.111 1.00 0.00 C ATOM 0 H THR A 12 -1.333 2.226 -12.152 1.00 0.00 H new ATOM 0 HA THR A 12 -1.303 3.122 -9.279 1.00 0.00 H new ATOM 0 HB THR A 12 0.501 1.291 -9.109 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.297 -0.337 -10.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.194 -0.499 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.788 1.039 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.361 0.480 -9.786 1.00 0.00 H new ATOM 316 N ALA A 13 0.245 4.650 -11.118 1.00 0.00 N ATOM 317 CA ALA A 13 1.392 5.539 -11.475 1.00 0.00 C ATOM 318 C ALA A 13 0.884 6.747 -12.217 1.00 0.00 C ATOM 319 O ALA A 13 -0.297 6.892 -12.476 1.00 0.00 O ATOM 320 CB ALA A 13 2.389 4.790 -12.361 1.00 0.00 C ATOM 0 H ALA A 13 -0.669 4.985 -11.423 1.00 0.00 H new ATOM 0 HA ALA A 13 1.891 5.850 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.219 5.450 -12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.768 3.919 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.892 4.467 -13.276 1.00 0.00 H new ATOM 326 N ASP A 14 1.776 7.618 -12.552 1.00 0.00 N ATOM 327 CA ASP A 14 1.404 8.846 -13.272 1.00 0.00 C ATOM 328 C ASP A 14 1.222 8.562 -14.773 1.00 0.00 C ATOM 329 O ASP A 14 0.903 9.451 -15.542 1.00 0.00 O ATOM 330 CB ASP A 14 2.515 9.840 -13.055 1.00 0.00 C ATOM 331 CG ASP A 14 1.991 11.263 -13.256 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.931 11.696 -14.395 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.659 11.897 -12.267 1.00 0.00 O ATOM 0 H ASP A 14 2.772 7.527 -12.351 1.00 0.00 H new ATOM 0 HA ASP A 14 0.457 9.236 -12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.920 9.731 -12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.331 9.643 -13.750 1.00 0.00 H new ATOM 338 N ASP A 15 1.409 7.329 -15.191 1.00 0.00 N ATOM 339 CA ASP A 15 1.236 6.983 -16.599 1.00 0.00 C ATOM 340 C ASP A 15 0.635 5.584 -16.685 1.00 0.00 C ATOM 341 O ASP A 15 0.922 4.827 -17.598 1.00 0.00 O ATOM 342 CB ASP A 15 2.590 7.009 -17.299 1.00 0.00 C ATOM 343 CG ASP A 15 2.803 8.377 -17.951 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.934 8.797 -18.697 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.832 8.981 -17.694 1.00 0.00 O ATOM 0 H ASP A 15 1.678 6.551 -14.589 1.00 0.00 H new ATOM 0 HA ASP A 15 0.574 7.700 -17.084 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.386 6.809 -16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.636 6.224 -18.054 1.00 0.00 H new ATOM 350 N GLU A 16 -0.195 5.229 -15.731 1.00 0.00 N ATOM 351 CA GLU A 16 -0.811 3.881 -15.740 1.00 0.00 C ATOM 352 C GLU A 16 -2.271 3.988 -16.173 1.00 0.00 C ATOM 353 O GLU A 16 -2.763 5.063 -16.466 1.00 0.00 O ATOM 354 CB GLU A 16 -0.705 3.279 -14.339 1.00 0.00 C ATOM 355 CG GLU A 16 -0.655 1.753 -14.441 1.00 0.00 C ATOM 356 CD GLU A 16 0.546 1.192 -13.657 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.477 1.941 -13.400 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.515 0.020 -13.339 1.00 0.00 O ATOM 0 H GLU A 16 -0.467 5.823 -14.948 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.290 3.234 -16.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.190 3.650 -13.839 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.558 3.586 -13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.580 1.327 -14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.583 1.456 -15.487 1.00 0.00 H new ATOM 365 N LEU A 17 -2.958 2.876 -16.246 1.00 0.00 N ATOM 366 CA LEU A 17 -4.384 2.904 -16.698 1.00 0.00 C ATOM 367 C LEU A 17 -5.323 2.318 -15.643 1.00 0.00 C ATOM 368 O LEU A 17 -4.990 1.385 -14.935 1.00 0.00 O ATOM 369 CB LEU A 17 -4.510 2.078 -17.988 1.00 0.00 C ATOM 370 CG LEU A 17 -5.483 2.748 -18.962 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.314 2.122 -20.355 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.931 2.550 -18.480 1.00 0.00 C ATOM 0 H LEU A 17 -2.595 1.952 -16.013 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.668 3.943 -16.867 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.531 1.974 -18.457 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.859 1.073 -17.750 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.269 3.816 -19.009 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.005 2.595 -21.053 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.291 2.272 -20.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.527 1.054 -20.302 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.616 3.030 -19.179 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.154 1.484 -18.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.050 2.995 -17.492 1.00 0.00 H new ATOM 384 N SER A 18 -6.520 2.854 -15.566 1.00 0.00 N ATOM 385 CA SER A 18 -7.524 2.347 -14.611 1.00 0.00 C ATOM 386 C SER A 18 -8.631 1.652 -15.401 1.00 0.00 C ATOM 387 O SER A 18 -9.106 2.175 -16.395 1.00 0.00 O ATOM 388 CB SER A 18 -8.110 3.498 -13.850 1.00 0.00 C ATOM 389 OG SER A 18 -7.091 4.429 -13.526 1.00 0.00 O ATOM 0 H SER A 18 -6.836 3.635 -16.141 1.00 0.00 H new ATOM 0 HA SER A 18 -7.061 1.649 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.883 3.984 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.589 3.138 -12.939 1.00 0.00 H new ATOM 0 HG SER A 18 -7.479 5.180 -13.030 1.00 0.00 H new ATOM 395 N PHE A 19 -9.037 0.478 -14.988 1.00 0.00 N ATOM 396 CA PHE A 19 -10.105 -0.245 -15.740 1.00 0.00 C ATOM 397 C PHE A 19 -10.892 -1.158 -14.796 1.00 0.00 C ATOM 398 O PHE A 19 -10.524 -1.346 -13.661 1.00 0.00 O ATOM 399 CB PHE A 19 -9.450 -1.088 -16.839 1.00 0.00 C ATOM 400 CG PHE A 19 -8.444 -2.037 -16.225 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.880 -3.217 -15.616 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.079 -1.730 -16.266 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.949 -4.094 -15.044 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.149 -2.606 -15.695 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.582 -3.788 -15.085 1.00 0.00 C ATOM 0 H PHE A 19 -8.677 -0.008 -14.167 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.792 0.478 -16.180 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.211 -1.650 -17.381 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.957 -0.439 -17.563 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.934 -3.453 -15.586 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.744 -0.818 -16.738 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.285 -5.005 -14.572 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.096 -2.369 -15.725 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.863 -4.464 -14.646 1.00 0.00 H new ATOM 415 N LYS A 20 -11.972 -1.722 -15.272 1.00 0.00 N ATOM 416 CA LYS A 20 -12.796 -2.630 -14.426 1.00 0.00 C ATOM 417 C LYS A 20 -12.783 -4.023 -15.026 1.00 0.00 C ATOM 418 O LYS A 20 -12.183 -4.263 -16.060 1.00 0.00 O ATOM 419 CB LYS A 20 -14.234 -2.124 -14.398 1.00 0.00 C ATOM 420 CG LYS A 20 -14.259 -0.663 -13.949 1.00 0.00 C ATOM 421 CD LYS A 20 -14.747 -0.573 -12.497 1.00 0.00 C ATOM 422 CE LYS A 20 -14.368 0.790 -11.900 1.00 0.00 C ATOM 423 NZ LYS A 20 -13.581 0.582 -10.652 1.00 0.00 N ATOM 0 H LYS A 20 -12.320 -1.589 -16.222 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.388 -2.655 -13.415 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.682 -2.218 -15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.831 -2.733 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.263 -0.230 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.915 -0.084 -14.599 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.828 -0.708 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.304 -1.374 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.785 1.365 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.267 1.368 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.323 1.504 -10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.153 0.049 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.717 0.047 -10.872 1.00 0.00 H new ATOM 437 N ARG A 21 -13.450 -4.941 -14.391 1.00 0.00 N ATOM 438 CA ARG A 21 -13.507 -6.326 -14.907 1.00 0.00 C ATOM 439 C ARG A 21 -14.405 -6.367 -16.143 1.00 0.00 C ATOM 440 O ARG A 21 -15.609 -6.201 -16.053 1.00 0.00 O ATOM 441 CB ARG A 21 -14.084 -7.209 -13.829 1.00 0.00 C ATOM 442 CG ARG A 21 -14.028 -8.667 -14.258 1.00 0.00 C ATOM 443 CD ARG A 21 -14.201 -9.539 -13.022 1.00 0.00 C ATOM 444 NE ARG A 21 -15.070 -10.706 -13.350 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.364 -10.626 -13.183 1.00 0.00 C ATOM 446 NH1 ARG A 21 -17.002 -9.534 -13.509 1.00 0.00 N ATOM 447 NH2 ARG A 21 -17.021 -11.640 -12.689 1.00 0.00 N ATOM 0 H ARG A 21 -13.964 -4.785 -13.524 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.510 -6.673 -15.180 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.528 -7.074 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.116 -6.921 -13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.813 -8.879 -14.984 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.077 -8.883 -14.744 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.229 -9.884 -12.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.645 -8.958 -12.214 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.654 -11.567 -13.705 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.491 -8.740 -13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.012 -9.475 -13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.525 -12.494 -12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.031 -11.579 -12.558 1.00 0.00 H new ATOM 461 N GLY A 22 -13.827 -6.575 -17.294 1.00 0.00 N ATOM 462 CA GLY A 22 -14.633 -6.616 -18.550 1.00 0.00 C ATOM 463 C GLY A 22 -14.283 -5.407 -19.436 1.00 0.00 C ATOM 464 O GLY A 22 -14.763 -5.292 -20.548 1.00 0.00 O ATOM 0 H GLY A 22 -12.825 -6.719 -17.420 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.436 -7.542 -19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.696 -6.607 -18.311 1.00 0.00 H new ATOM 468 N ASP A 23 -13.449 -4.503 -18.951 1.00 0.00 N ATOM 469 CA ASP A 23 -13.074 -3.343 -19.726 1.00 0.00 C ATOM 470 C ASP A 23 -11.913 -3.720 -20.628 1.00 0.00 C ATOM 471 O ASP A 23 -10.761 -3.578 -20.253 1.00 0.00 O ATOM 472 CB ASP A 23 -12.636 -2.245 -18.771 1.00 0.00 C ATOM 473 CG ASP A 23 -13.760 -1.218 -18.602 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.881 -1.630 -18.354 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.479 -0.038 -18.723 1.00 0.00 O ATOM 0 H ASP A 23 -13.022 -4.554 -18.026 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.913 -2.995 -20.329 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.377 -2.675 -17.804 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.740 -1.756 -19.153 1.00 0.00 H new ATOM 480 N ILE A 24 -12.194 -4.205 -21.797 1.00 0.00 N ATOM 481 CA ILE A 24 -11.091 -4.600 -22.713 1.00 0.00 C ATOM 482 C ILE A 24 -10.350 -3.348 -23.156 1.00 0.00 C ATOM 483 O ILE A 24 -10.925 -2.414 -23.682 1.00 0.00 O ATOM 484 CB ILE A 24 -11.623 -5.375 -23.914 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.715 -6.377 -23.430 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.441 -6.122 -24.547 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.959 -7.472 -24.470 1.00 0.00 C ATOM 0 H ILE A 24 -13.136 -4.346 -22.161 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.404 -5.262 -22.186 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.072 -4.708 -24.650 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.406 -6.829 -22.488 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.644 -5.841 -23.237 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.789 -6.688 -25.411 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.685 -5.404 -24.864 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.009 -6.805 -23.816 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.725 -8.156 -24.105 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.292 -7.019 -25.404 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.034 -8.022 -24.643 1.00 0.00 H new ATOM 499 N LEU A 25 -9.079 -3.322 -22.901 1.00 0.00 N ATOM 500 CA LEU A 25 -8.244 -2.131 -23.238 1.00 0.00 C ATOM 501 C LEU A 25 -7.685 -2.244 -24.656 1.00 0.00 C ATOM 502 O LEU A 25 -7.760 -3.286 -25.286 1.00 0.00 O ATOM 503 CB LEU A 25 -7.092 -2.052 -22.229 1.00 0.00 C ATOM 504 CG LEU A 25 -7.661 -2.101 -20.800 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.631 -3.541 -20.268 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.827 -1.204 -19.886 1.00 0.00 C ATOM 0 H LEU A 25 -8.567 -4.089 -22.464 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.856 -1.231 -23.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.400 -2.879 -22.385 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.527 -1.131 -22.376 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.692 -1.749 -20.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.036 -3.564 -19.256 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.233 -4.180 -20.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.603 -3.903 -20.256 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.231 -1.239 -18.874 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.795 -1.553 -19.877 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.860 -0.179 -20.254 1.00 0.00 H new ATOM 518 N LYS A 26 -7.118 -1.166 -25.163 1.00 0.00 N ATOM 519 CA LYS A 26 -6.545 -1.199 -26.558 1.00 0.00 C ATOM 520 C LYS A 26 -5.023 -1.056 -26.486 1.00 0.00 C ATOM 521 O LYS A 26 -4.509 0.020 -26.256 1.00 0.00 O ATOM 522 CB LYS A 26 -7.126 -0.044 -27.376 1.00 0.00 C ATOM 523 CG LYS A 26 -8.624 -0.272 -27.592 1.00 0.00 C ATOM 524 CD LYS A 26 -9.228 0.948 -28.289 1.00 0.00 C ATOM 525 CE LYS A 26 -10.683 0.656 -28.658 1.00 0.00 C ATOM 526 NZ LYS A 26 -11.422 1.942 -28.811 1.00 0.00 N ATOM 0 H LYS A 26 -7.027 -0.273 -24.678 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.801 -2.146 -27.034 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.963 0.901 -26.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.616 0.027 -28.337 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.784 -1.166 -28.195 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.119 -0.440 -26.636 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.175 1.818 -27.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.656 1.189 -29.185 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.727 0.086 -29.586 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.150 0.045 -27.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.412 1.746 -29.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.390 2.469 -27.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.980 2.509 -29.563 1.00 0.00 H new ATOM 540 N VAL A 27 -4.293 -2.131 -26.673 1.00 0.00 N ATOM 541 CA VAL A 27 -2.801 -2.041 -26.587 1.00 0.00 C ATOM 542 C VAL A 27 -2.268 -1.069 -27.639 1.00 0.00 C ATOM 543 O VAL A 27 -2.290 -1.341 -28.826 1.00 0.00 O ATOM 544 CB VAL A 27 -2.174 -3.427 -26.790 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.650 -3.336 -26.593 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.758 -4.405 -25.764 1.00 0.00 C ATOM 0 H VAL A 27 -4.663 -3.059 -26.880 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.531 -1.672 -25.597 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.392 -3.779 -27.798 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.205 -4.321 -26.737 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.230 -2.638 -27.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.434 -2.984 -25.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.314 -5.390 -25.907 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.538 -4.050 -24.757 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.838 -4.471 -25.898 1.00 0.00 H new ATOM 556 N LEU A 28 -1.778 0.062 -27.198 1.00 0.00 N ATOM 557 CA LEU A 28 -1.224 1.067 -28.144 1.00 0.00 C ATOM 558 C LEU A 28 0.260 0.811 -28.308 1.00 0.00 C ATOM 559 O LEU A 28 0.832 1.107 -29.345 1.00 0.00 O ATOM 560 CB LEU A 28 -1.379 2.520 -27.614 1.00 0.00 C ATOM 561 CG LEU A 28 -2.626 2.694 -26.715 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.191 3.273 -25.350 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.614 3.656 -27.398 1.00 0.00 C ATOM 0 H LEU A 28 -1.740 0.331 -26.215 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.772 0.970 -29.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.488 2.794 -27.050 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.446 3.206 -28.458 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.110 1.730 -26.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.066 3.398 -24.712 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.488 2.590 -24.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.711 4.240 -25.501 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.494 3.781 -26.768 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.135 4.623 -27.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.914 3.246 -28.362 1.00 0.00 H new ATOM 575 N ASN A 29 0.914 0.294 -27.280 1.00 0.00 N ATOM 576 CA ASN A 29 2.389 0.073 -27.412 1.00 0.00 C ATOM 577 C ASN A 29 2.911 -1.026 -26.481 1.00 0.00 C ATOM 578 O ASN A 29 2.342 -1.335 -25.441 1.00 0.00 O ATOM 579 CB ASN A 29 3.121 1.379 -27.094 1.00 0.00 C ATOM 580 CG ASN A 29 4.423 1.452 -27.901 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.594 0.741 -28.873 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.353 2.291 -27.536 1.00 0.00 N ATOM 0 H ASN A 29 0.501 0.026 -26.387 1.00 0.00 H new ATOM 0 HA ASN A 29 2.577 -0.248 -28.436 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.485 2.231 -27.334 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.339 1.434 -26.028 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.223 2.350 -28.066 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.210 2.888 -26.721 1.00 0.00 H new ATOM 673 N TRP A 36 3.465 -5.647 -17.964 1.00 0.00 N ATOM 674 CA TRP A 36 2.284 -4.720 -18.113 1.00 0.00 C ATOM 675 C TRP A 36 2.284 -4.153 -19.556 1.00 0.00 C ATOM 676 O TRP A 36 3.326 -3.878 -20.119 1.00 0.00 O ATOM 677 CB TRP A 36 2.359 -3.537 -17.101 1.00 0.00 C ATOM 678 CG TRP A 36 2.554 -4.011 -15.667 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.528 -4.858 -15.240 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.799 -3.634 -14.452 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.400 -5.036 -13.873 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.369 -4.306 -13.345 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.686 -2.796 -14.202 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.875 -4.152 -12.049 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.190 -2.645 -12.888 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.788 -3.317 -11.818 1.00 0.00 C ATOM 0 HA TRP A 36 1.371 -5.281 -17.912 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.181 -2.877 -17.378 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.443 -2.949 -17.165 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.279 -5.317 -15.865 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.006 -5.643 -13.321 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.214 -2.270 -15.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.336 -4.680 -11.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.660 -2.004 -12.708 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.407 -3.188 -10.816 1.00 0.00 H new ATOM 697 N TYR A 37 1.121 -3.994 -20.158 1.00 0.00 N ATOM 698 CA TYR A 37 1.047 -3.462 -21.567 1.00 0.00 C ATOM 699 C TYR A 37 0.596 -2.000 -21.583 1.00 0.00 C ATOM 700 O TYR A 37 -0.220 -1.594 -20.782 1.00 0.00 O ATOM 701 CB TYR A 37 -0.030 -4.218 -22.342 1.00 0.00 C ATOM 702 CG TYR A 37 0.284 -5.683 -22.482 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.562 -6.112 -22.854 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.734 -6.615 -22.266 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.818 -7.480 -23.008 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.483 -7.975 -22.414 1.00 0.00 C ATOM 707 CZ TYR A 37 0.794 -8.413 -22.788 1.00 0.00 C ATOM 708 OH TYR A 37 1.044 -9.761 -22.940 1.00 0.00 O ATOM 0 H TYR A 37 0.219 -4.210 -19.734 1.00 0.00 H new ATOM 0 HA TYR A 37 2.040 -3.574 -22.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.988 -4.102 -21.835 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.138 -3.776 -23.333 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.348 -5.391 -23.022 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.720 -6.278 -21.983 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.803 -7.816 -23.296 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.272 -8.692 -22.241 1.00 0.00 H new ATOM 0 HH TYR A 37 1.979 -9.893 -23.203 1.00 0.00 H new ATOM 718 N LYS A 38 1.045 -1.228 -22.553 1.00 0.00 N ATOM 719 CA LYS A 38 0.554 0.173 -22.669 1.00 0.00 C ATOM 720 C LYS A 38 -0.737 0.095 -23.482 1.00 0.00 C ATOM 721 O LYS A 38 -0.793 -0.618 -24.467 1.00 0.00 O ATOM 722 CB LYS A 38 1.578 1.042 -23.400 1.00 0.00 C ATOM 723 CG LYS A 38 1.170 2.513 -23.275 1.00 0.00 C ATOM 724 CD LYS A 38 1.452 3.250 -24.596 1.00 0.00 C ATOM 725 CE LYS A 38 2.404 4.422 -24.338 1.00 0.00 C ATOM 726 NZ LYS A 38 2.230 5.449 -25.403 1.00 0.00 N ATOM 0 H LYS A 38 1.724 -1.512 -23.259 1.00 0.00 H new ATOM 0 HA LYS A 38 0.392 0.619 -21.688 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.571 0.890 -22.976 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.633 0.755 -24.450 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.111 2.586 -23.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.721 2.984 -22.461 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.892 2.564 -25.320 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.519 3.614 -25.027 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.202 4.859 -23.360 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.435 4.070 -24.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.877 6.244 -25.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.443 5.028 -26.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.249 5.793 -25.397 1.00 0.00 H new ATOM 740 N ALA A 39 -1.785 0.766 -23.068 1.00 0.00 N ATOM 741 CA ALA A 39 -3.076 0.652 -23.826 1.00 0.00 C ATOM 742 C ALA A 39 -4.009 1.761 -23.498 1.00 0.00 C ATOM 743 O ALA A 39 -3.645 2.727 -22.868 1.00 0.00 O ATOM 744 CB ALA A 39 -3.704 -0.682 -23.484 1.00 0.00 C ATOM 0 H ALA A 39 -1.806 1.378 -22.253 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.871 0.718 -24.894 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.645 -0.790 -24.023 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.027 -1.487 -23.771 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.892 -0.731 -22.412 1.00 0.00 H new ATOM 750 N GLU A 40 -5.213 1.660 -23.989 1.00 0.00 N ATOM 751 CA GLU A 40 -6.165 2.745 -23.769 1.00 0.00 C ATOM 752 C GLU A 40 -7.616 2.269 -23.822 1.00 0.00 C ATOM 753 O GLU A 40 -8.048 1.576 -24.719 1.00 0.00 O ATOM 754 CB GLU A 40 -5.852 3.832 -24.806 1.00 0.00 C ATOM 755 CG GLU A 40 -6.995 4.053 -25.821 1.00 0.00 C ATOM 756 CD GLU A 40 -6.652 5.232 -26.732 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.215 6.247 -26.217 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.832 5.099 -27.932 1.00 0.00 O ATOM 0 H GLU A 40 -5.564 0.869 -24.530 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.056 3.150 -22.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.648 4.770 -24.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.944 3.560 -25.345 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.145 3.152 -26.416 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.930 4.247 -25.295 1.00 0.00 H new ATOM 765 N LEU A 41 -8.346 2.694 -22.864 1.00 0.00 N ATOM 766 CA LEU A 41 -9.793 2.345 -22.776 1.00 0.00 C ATOM 767 C LEU A 41 -10.660 3.464 -23.231 1.00 0.00 C ATOM 768 O LEU A 41 -11.023 4.353 -22.491 1.00 0.00 O ATOM 769 CB LEU A 41 -10.172 1.959 -21.365 1.00 0.00 C ATOM 770 CG LEU A 41 -9.991 0.481 -21.225 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.822 0.135 -19.752 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.225 -0.207 -21.794 1.00 0.00 C ATOM 0 H LEU A 41 -8.007 3.287 -22.107 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.952 1.494 -23.438 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.549 2.489 -20.645 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.205 2.238 -21.158 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.105 0.147 -21.765 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.690 -0.942 -19.644 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.947 0.650 -19.355 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.708 0.449 -19.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.114 -1.287 -21.702 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.108 0.115 -21.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.337 0.058 -22.845 1.00 0.00 H new ATOM 784 N ASN A 42 -11.046 3.367 -24.446 1.00 0.00 N ATOM 785 CA ASN A 42 -11.972 4.357 -25.060 1.00 0.00 C ATOM 786 C ASN A 42 -11.654 5.829 -24.685 1.00 0.00 C ATOM 787 O ASN A 42 -12.527 6.679 -24.748 1.00 0.00 O ATOM 788 CB ASN A 42 -13.367 4.040 -24.577 1.00 0.00 C ATOM 789 CG ASN A 42 -14.046 3.059 -25.536 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.743 3.464 -26.445 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.870 1.775 -25.370 1.00 0.00 N ATOM 0 H ASN A 42 -10.755 2.619 -25.075 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.865 4.276 -26.142 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.325 3.611 -23.576 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.953 4.956 -24.507 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.318 1.113 -26.004 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.285 1.435 -24.607 1.00 0.00 H new ATOM 798 N GLY A 43 -10.449 6.136 -24.302 1.00 0.00 N ATOM 799 CA GLY A 43 -10.124 7.553 -23.931 1.00 0.00 C ATOM 800 C GLY A 43 -8.991 7.584 -22.905 1.00 0.00 C ATOM 801 O GLY A 43 -8.117 8.432 -22.970 1.00 0.00 O ATOM 0 H GLY A 43 -9.674 5.477 -24.228 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.834 8.112 -24.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.008 8.041 -23.522 1.00 0.00 H new ATOM 805 N LYS A 44 -8.980 6.657 -21.971 1.00 0.00 N ATOM 806 CA LYS A 44 -7.910 6.622 -20.984 1.00 0.00 C ATOM 807 C LYS A 44 -6.797 5.823 -21.552 1.00 0.00 C ATOM 808 O LYS A 44 -6.939 5.188 -22.578 1.00 0.00 O ATOM 809 CB LYS A 44 -8.386 5.976 -19.693 1.00 0.00 C ATOM 810 CG LYS A 44 -8.950 7.055 -18.776 1.00 0.00 C ATOM 811 CD LYS A 44 -10.211 7.670 -19.397 1.00 0.00 C ATOM 812 CE LYS A 44 -11.295 6.597 -19.531 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.579 7.236 -19.935 1.00 0.00 N ATOM 0 H LYS A 44 -9.685 5.927 -21.870 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.588 7.638 -20.755 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.148 5.227 -19.906 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.560 5.460 -19.203 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.187 6.628 -17.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.202 7.830 -18.611 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.572 8.490 -18.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.979 8.090 -20.375 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.997 5.854 -20.271 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.420 6.071 -18.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.316 6.508 -20.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.864 7.929 -19.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.454 7.719 -20.848 1.00 0.00 H new ATOM 827 N ASP A 45 -5.691 5.856 -20.915 1.00 0.00 N ATOM 828 CA ASP A 45 -4.546 5.116 -21.410 1.00 0.00 C ATOM 829 C ASP A 45 -3.477 4.909 -20.319 1.00 0.00 C ATOM 830 O ASP A 45 -3.611 5.361 -19.197 1.00 0.00 O ATOM 831 CB ASP A 45 -4.003 5.890 -22.626 1.00 0.00 C ATOM 832 CG ASP A 45 -2.892 6.895 -22.240 1.00 0.00 C ATOM 833 OD1 ASP A 45 -3.011 7.507 -21.191 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.950 7.028 -23.004 1.00 0.00 O ATOM 0 H ASP A 45 -5.531 6.377 -20.053 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.840 4.109 -21.708 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.611 5.183 -23.357 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.822 6.425 -23.107 1.00 0.00 H new ATOM 839 N GLY A 46 -2.414 4.234 -20.672 1.00 0.00 N ATOM 840 CA GLY A 46 -1.311 3.986 -19.708 1.00 0.00 C ATOM 841 C GLY A 46 -1.040 2.485 -19.585 1.00 0.00 C ATOM 842 O GLY A 46 -1.779 1.663 -20.088 1.00 0.00 O ATOM 0 H GLY A 46 -2.265 3.840 -21.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.408 4.500 -20.038 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.572 4.396 -18.733 1.00 0.00 H new ATOM 846 N PHE A 47 0.029 2.130 -18.921 1.00 0.00 N ATOM 847 CA PHE A 47 0.390 0.687 -18.761 1.00 0.00 C ATOM 848 C PHE A 47 -0.689 -0.042 -17.969 1.00 0.00 C ATOM 849 O PHE A 47 -1.480 0.567 -17.285 1.00 0.00 O ATOM 850 CB PHE A 47 1.720 0.575 -18.005 1.00 0.00 C ATOM 851 CG PHE A 47 2.758 1.462 -18.655 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.037 1.333 -20.021 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.439 2.416 -17.889 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.997 2.158 -20.620 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.397 3.241 -18.488 1.00 0.00 C ATOM 856 CZ PHE A 47 4.677 3.112 -19.854 1.00 0.00 C ATOM 0 H PHE A 47 0.675 2.784 -18.478 1.00 0.00 H new ATOM 0 HA PHE A 47 0.480 0.236 -19.749 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.582 0.865 -16.963 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.062 -0.460 -18.005 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.512 0.598 -20.612 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.225 2.515 -16.835 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.213 2.058 -21.673 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.921 3.978 -17.897 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.417 3.748 -20.316 1.00 0.00 H new ATOM 866 N ILE A 48 -0.718 -1.352 -18.048 1.00 0.00 N ATOM 867 CA ILE A 48 -1.733 -2.127 -17.284 1.00 0.00 C ATOM 868 C ILE A 48 -1.117 -3.484 -16.899 1.00 0.00 C ATOM 869 O ILE A 48 -0.442 -4.072 -17.698 1.00 0.00 O ATOM 870 CB ILE A 48 -2.982 -2.359 -18.150 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.571 -2.873 -19.537 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.751 -1.046 -18.302 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.724 -3.672 -20.147 1.00 0.00 C ATOM 0 H ILE A 48 -0.079 -1.914 -18.611 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.025 -1.574 -16.391 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.617 -3.101 -17.666 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.312 -2.036 -20.185 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.683 -3.500 -19.456 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.636 -1.212 -18.916 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.054 -0.686 -17.319 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.112 -0.303 -18.780 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.433 -4.037 -21.132 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.962 -4.518 -19.502 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.600 -3.031 -20.242 1.00 0.00 H new ATOM 885 N PRO A 49 -1.365 -3.964 -15.689 1.00 0.00 N ATOM 886 CA PRO A 49 -0.817 -5.249 -15.269 1.00 0.00 C ATOM 887 C PRO A 49 -1.454 -6.371 -16.057 1.00 0.00 C ATOM 888 O PRO A 49 -2.616 -6.649 -15.942 1.00 0.00 O ATOM 889 CB PRO A 49 -1.103 -5.333 -13.774 1.00 0.00 C ATOM 890 CG PRO A 49 -2.254 -4.320 -13.505 1.00 0.00 C ATOM 891 CD PRO A 49 -2.197 -3.299 -14.672 1.00 0.00 C ATOM 0 HA PRO A 49 0.253 -5.340 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.396 -6.343 -13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.217 -5.082 -13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.220 -4.824 -13.473 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.122 -3.823 -12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.193 -3.075 -15.055 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.758 -2.353 -14.354 1.00 0.00 H new ATOM 899 N LYS A 50 -0.665 -6.972 -16.887 1.00 0.00 N ATOM 900 CA LYS A 50 -1.113 -8.074 -17.771 1.00 0.00 C ATOM 901 C LYS A 50 -1.769 -9.233 -16.986 1.00 0.00 C ATOM 902 O LYS A 50 -2.472 -10.037 -17.562 1.00 0.00 O ATOM 903 CB LYS A 50 0.124 -8.582 -18.491 1.00 0.00 C ATOM 904 CG LYS A 50 -0.220 -9.680 -19.477 1.00 0.00 C ATOM 905 CD LYS A 50 1.094 -10.261 -19.982 1.00 0.00 C ATOM 906 CE LYS A 50 0.864 -11.669 -20.537 1.00 0.00 C ATOM 907 NZ LYS A 50 2.096 -12.134 -21.241 1.00 0.00 N ATOM 0 H LYS A 50 0.321 -6.733 -16.995 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.871 -7.701 -18.460 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.605 -7.757 -19.016 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.842 -8.958 -17.762 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.823 -10.452 -18.998 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.808 -9.283 -20.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.511 -9.619 -20.758 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.822 -10.295 -19.171 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.614 -12.354 -19.727 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.018 -11.667 -21.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.971 -13.121 -21.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.267 -11.535 -22.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.909 -12.071 -20.596 1.00 0.00 H new ATOM 921 N ASN A 51 -1.536 -9.341 -15.695 1.00 0.00 N ATOM 922 CA ASN A 51 -2.135 -10.430 -14.916 1.00 0.00 C ATOM 923 C ASN A 51 -3.655 -10.287 -14.900 1.00 0.00 C ATOM 924 O ASN A 51 -4.384 -11.260 -14.834 1.00 0.00 O ATOM 925 CB ASN A 51 -1.584 -10.368 -13.529 1.00 0.00 C ATOM 926 CG ASN A 51 -0.317 -11.222 -13.429 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.141 -11.958 -12.480 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.578 -11.152 -14.376 1.00 0.00 N ATOM 0 H ASN A 51 -0.947 -8.704 -15.159 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.895 -11.394 -15.364 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.358 -9.335 -13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.329 -10.723 -12.817 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.426 -11.716 -14.319 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.430 -10.533 -15.173 1.00 0.00 H new ATOM 935 N TYR A 52 -4.128 -9.081 -14.991 1.00 0.00 N ATOM 936 CA TYR A 52 -5.587 -8.827 -15.020 1.00 0.00 C ATOM 937 C TYR A 52 -5.977 -8.599 -16.460 1.00 0.00 C ATOM 938 O TYR A 52 -6.886 -7.841 -16.749 1.00 0.00 O ATOM 939 CB TYR A 52 -5.899 -7.541 -14.222 1.00 0.00 C ATOM 940 CG TYR A 52 -5.825 -7.731 -12.755 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.825 -8.498 -12.161 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.758 -7.081 -11.979 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.775 -8.608 -10.787 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.719 -7.188 -10.614 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.725 -7.955 -9.999 1.00 0.00 C ATOM 946 OH TYR A 52 -5.677 -8.066 -8.622 1.00 0.00 O ATOM 0 H TYR A 52 -3.550 -8.242 -15.048 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.130 -9.667 -14.587 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.198 -6.760 -14.516 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.897 -7.190 -14.486 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.093 -9.004 -12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.525 -6.483 -12.449 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.001 -9.199 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.457 -6.679 -10.012 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.585 -7.175 -8.225 1.00 0.00 H new ATOM 956 N ILE A 53 -5.281 -9.227 -17.380 1.00 0.00 N ATOM 957 CA ILE A 53 -5.595 -9.014 -18.799 1.00 0.00 C ATOM 958 C ILE A 53 -5.313 -10.264 -19.622 1.00 0.00 C ATOM 959 O ILE A 53 -4.483 -11.088 -19.286 1.00 0.00 O ATOM 960 CB ILE A 53 -4.729 -7.883 -19.423 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.041 -7.002 -18.355 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.579 -7.026 -20.363 1.00 0.00 C ATOM 963 CD1 ILE A 53 -5.016 -6.084 -17.671 1.00 0.00 C ATOM 0 H ILE A 53 -4.514 -9.873 -17.194 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.652 -8.750 -18.826 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.933 -8.363 -19.992 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.561 -7.640 -17.613 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.254 -6.411 -18.824 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.962 -6.237 -20.794 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.980 -7.650 -21.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.401 -6.579 -19.804 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.491 -5.483 -16.929 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.477 -5.427 -18.409 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.788 -6.675 -17.179 1.00 0.00 H new ATOM 975 N GLU A 54 -5.929 -10.322 -20.758 1.00 0.00 N ATOM 976 CA GLU A 54 -5.680 -11.390 -21.713 1.00 0.00 C ATOM 977 C GLU A 54 -5.590 -10.702 -23.063 1.00 0.00 C ATOM 978 O GLU A 54 -6.128 -9.626 -23.241 1.00 0.00 O ATOM 979 CB GLU A 54 -6.781 -12.431 -21.707 1.00 0.00 C ATOM 980 CG GLU A 54 -6.240 -13.761 -21.172 1.00 0.00 C ATOM 981 CD GLU A 54 -6.946 -14.920 -21.878 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.913 -14.953 -23.098 1.00 0.00 O ATOM 983 OE2 GLU A 54 -7.508 -15.755 -21.189 1.00 0.00 O ATOM 0 H GLU A 54 -6.621 -9.638 -21.064 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.769 -11.934 -21.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.611 -12.091 -21.088 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.170 -12.567 -22.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.164 -13.821 -21.338 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.401 -13.825 -20.096 1.00 0.00 H new ATOM 990 N MET A 55 -4.892 -11.274 -23.986 1.00 0.00 N ATOM 991 CA MET A 55 -4.706 -10.593 -25.316 1.00 0.00 C ATOM 992 C MET A 55 -5.646 -11.122 -26.388 1.00 0.00 C ATOM 993 O MET A 55 -5.496 -12.232 -26.867 1.00 0.00 O ATOM 994 CB MET A 55 -3.263 -10.794 -25.779 1.00 0.00 C ATOM 995 CG MET A 55 -2.813 -9.578 -26.590 1.00 0.00 C ATOM 996 SD MET A 55 -1.084 -9.786 -27.082 1.00 0.00 S ATOM 997 CE MET A 55 -1.350 -11.118 -28.278 1.00 0.00 C ATOM 0 H MET A 55 -4.436 -12.182 -23.894 1.00 0.00 H new ATOM 0 HA MET A 55 -4.935 -9.537 -25.175 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.609 -10.932 -24.918 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.187 -11.697 -26.385 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.442 -9.463 -27.473 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.927 -8.670 -25.998 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.595 -11.060 -29.062 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.275 -12.081 -27.773 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.341 -11.017 -28.721 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.603 -10.313 -26.796 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.523 -10.723 -27.843 1.00 0.00 C ATOM 1009 C LYS A 56 -7.192 -10.039 -29.176 1.00 0.00 C ATOM 1010 O LYS A 56 -6.710 -8.906 -29.197 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.920 -10.390 -27.423 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.499 -11.578 -26.685 1.00 0.00 C ATOM 1013 CD LYS A 56 -11.024 -11.457 -26.615 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.415 -10.368 -25.616 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.510 -10.876 -24.741 1.00 0.00 N ATOM 0 H LYS A 56 -6.765 -9.377 -26.425 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.427 -11.798 -27.993 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.922 -9.509 -26.782 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.530 -10.152 -28.294 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.222 -12.502 -27.192 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.083 -11.630 -25.679 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.424 -11.219 -27.601 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.460 -12.410 -26.316 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.553 -10.085 -25.012 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.742 -9.473 -26.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.952 -10.079 -24.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.225 -11.357 -25.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.119 -11.546 -24.049 1.00 0.00 H new