USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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= -1.71 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -121:sc= -0.157 (180deg=-1.66) USER MOD Set 2.2: A 7 TYR OH : rot 30:sc= -0.0177 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.131 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -72:sc= -0.198 USER MOD Single : A 18 SER OG : rot 180:sc= 0.156 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 X(o=0,f=0) 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=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ -117:sc= -0.188 (180deg=-2.65!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 127:sc= 0.984 USER MOD Single : A 55 MET CE :methyl 173:sc= 0 (180deg=-0.0134) USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= 0 (180deg=-1.78!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.811 -3.701 -31.076 1.00 0.00 N ATOM 125 CA MET A 1 -4.825 -4.731 -30.733 1.00 0.00 C ATOM 126 C MET A 1 -5.464 -4.376 -29.419 1.00 0.00 C ATOM 127 O MET A 1 -5.235 -3.308 -28.877 1.00 0.00 O ATOM 128 CB MET A 1 -4.163 -6.107 -30.629 1.00 0.00 C ATOM 129 CG MET A 1 -4.206 -6.783 -31.987 1.00 0.00 C ATOM 130 SD MET A 1 -2.776 -7.879 -32.174 1.00 0.00 S ATOM 131 CE MET A 1 -2.631 -7.752 -33.973 1.00 0.00 C ATOM 0 H1 MET A 1 -4.147 -3.139 -31.884 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.660 -3.076 -30.258 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.915 -4.166 -31.326 1.00 0.00 H new ATOM 0 HA MET A 1 -5.584 -4.764 -31.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.131 -6.003 -30.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.679 -6.718 -29.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.129 -7.354 -32.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.206 -6.032 -32.777 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.795 -8.362 -34.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.551 -8.105 -34.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.459 -6.712 -34.252 1.00 0.00 H new ATOM 141 N GLU A 2 -6.261 -5.259 -28.892 1.00 0.00 N ATOM 142 CA GLU A 2 -6.909 -4.995 -27.625 1.00 0.00 C ATOM 143 C GLU A 2 -6.413 -6.034 -26.654 1.00 0.00 C ATOM 144 O GLU A 2 -5.608 -6.882 -26.999 1.00 0.00 O ATOM 145 CB GLU A 2 -8.421 -5.114 -27.819 1.00 0.00 C ATOM 146 CG GLU A 2 -9.121 -3.866 -27.291 1.00 0.00 C ATOM 147 CD GLU A 2 -10.412 -3.632 -28.075 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.358 -4.370 -27.854 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.435 -2.720 -28.885 1.00 0.00 O ATOM 0 H GLU A 2 -6.482 -6.163 -29.310 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.686 -3.996 -27.249 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.650 -5.248 -28.876 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.793 -5.996 -27.298 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.344 -3.983 -26.230 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.464 -3.001 -27.385 1.00 0.00 H new ATOM 156 N ALA A 3 -6.866 -5.974 -25.463 1.00 0.00 N ATOM 157 CA ALA A 3 -6.426 -6.954 -24.451 1.00 0.00 C ATOM 158 C ALA A 3 -7.463 -7.054 -23.345 1.00 0.00 C ATOM 159 O ALA A 3 -7.774 -6.096 -22.667 1.00 0.00 O ATOM 160 CB ALA A 3 -5.102 -6.521 -23.906 1.00 0.00 C ATOM 0 H ALA A 3 -7.535 -5.279 -25.131 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.320 -7.940 -24.903 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.765 -7.237 -23.156 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.373 -6.473 -24.715 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.201 -5.537 -23.448 1.00 0.00 H new ATOM 166 N ILE A 4 -8.023 -8.214 -23.201 1.00 0.00 N ATOM 167 CA ILE A 4 -9.087 -8.440 -22.193 1.00 0.00 C ATOM 168 C ILE A 4 -8.594 -8.234 -20.786 1.00 0.00 C ATOM 169 O ILE A 4 -7.709 -8.917 -20.319 1.00 0.00 O ATOM 170 CB ILE A 4 -9.611 -9.860 -22.333 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.681 -10.141 -21.258 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.476 -10.858 -22.191 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.859 -10.804 -21.902 1.00 0.00 C ATOM 0 H ILE A 4 -7.782 -9.037 -23.754 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.877 -7.712 -22.377 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.058 -9.966 -23.322 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.270 -10.780 -20.477 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.988 -9.211 -20.780 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.867 -11.870 -22.294 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.732 -10.676 -22.967 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.013 -10.745 -21.211 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.620 -11.006 -21.148 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.272 -10.148 -22.668 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.544 -11.742 -22.359 1.00 0.00 H new ATOM 185 N ALA A 5 -9.236 -7.349 -20.094 1.00 0.00 N ATOM 186 CA ALA A 5 -8.887 -7.134 -18.652 1.00 0.00 C ATOM 187 C ALA A 5 -9.464 -8.333 -17.874 1.00 0.00 C ATOM 188 O ALA A 5 -10.653 -8.410 -17.634 1.00 0.00 O ATOM 189 CB ALA A 5 -9.522 -5.843 -18.135 1.00 0.00 C ATOM 0 H ALA A 5 -9.988 -6.760 -20.453 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.807 -7.053 -18.526 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.259 -5.702 -17.087 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.155 -4.998 -18.718 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.606 -5.907 -18.231 1.00 0.00 H new ATOM 195 N LYS A 6 -8.639 -9.284 -17.523 1.00 0.00 N ATOM 196 CA LYS A 6 -9.134 -10.505 -16.807 1.00 0.00 C ATOM 197 C LYS A 6 -9.821 -10.129 -15.497 1.00 0.00 C ATOM 198 O LYS A 6 -10.681 -10.848 -15.018 1.00 0.00 O ATOM 199 CB LYS A 6 -7.953 -11.427 -16.502 1.00 0.00 C ATOM 200 CG LYS A 6 -7.262 -11.811 -17.804 1.00 0.00 C ATOM 201 CD LYS A 6 -5.858 -12.341 -17.511 1.00 0.00 C ATOM 202 CE LYS A 6 -5.952 -13.771 -16.971 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.117 -13.743 -15.490 1.00 0.00 N ATOM 0 H LYS A 6 -7.635 -9.270 -17.702 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.855 -11.011 -17.449 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.249 -10.926 -15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.300 -12.321 -15.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.845 -12.570 -18.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.203 -10.945 -18.464 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.255 -12.323 -18.419 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.360 -11.699 -16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.795 -14.288 -17.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.054 -14.329 -17.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.333 -14.261 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.114 -12.757 -15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.019 -14.192 -15.233 1.00 0.00 H new ATOM 217 N TYR A 7 -9.452 -9.022 -14.908 1.00 0.00 N ATOM 218 CA TYR A 7 -10.093 -8.620 -13.612 1.00 0.00 C ATOM 219 C TYR A 7 -10.240 -7.114 -13.550 1.00 0.00 C ATOM 220 O TYR A 7 -10.004 -6.408 -14.514 1.00 0.00 O ATOM 221 CB TYR A 7 -9.246 -9.086 -12.419 1.00 0.00 C ATOM 222 CG TYR A 7 -8.776 -10.505 -12.616 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.685 -11.566 -12.546 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.424 -10.756 -12.861 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.239 -12.880 -12.721 1.00 0.00 C ATOM 226 CE2 TYR A 7 -6.975 -12.065 -13.037 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.883 -13.131 -12.967 1.00 0.00 C ATOM 228 OH TYR A 7 -7.440 -14.428 -13.138 1.00 0.00 O ATOM 0 H TYR A 7 -8.741 -8.381 -15.261 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.075 -9.091 -13.561 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.386 -8.427 -12.299 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.832 -9.016 -11.502 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.730 -11.371 -12.357 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.725 -9.935 -12.914 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.939 -13.700 -12.667 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.929 -12.257 -13.227 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.158 -14.970 -13.527 1.00 0.00 H new ATOM 238 N ASP A 8 -10.655 -6.625 -12.419 1.00 0.00 N ATOM 239 CA ASP A 8 -10.857 -5.178 -12.254 1.00 0.00 C ATOM 240 C ASP A 8 -9.609 -4.544 -11.602 1.00 0.00 C ATOM 241 O ASP A 8 -8.747 -5.233 -11.096 1.00 0.00 O ATOM 242 CB ASP A 8 -12.120 -4.984 -11.401 1.00 0.00 C ATOM 243 CG ASP A 8 -11.860 -5.380 -9.937 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.414 -4.530 -9.184 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.112 -6.526 -9.601 1.00 0.00 O ATOM 0 H ASP A 8 -10.864 -7.184 -11.592 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.994 -4.681 -13.215 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.440 -3.943 -11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.933 -5.586 -11.806 1.00 0.00 H new ATOM 250 N PHE A 9 -9.515 -3.236 -11.628 1.00 0.00 N ATOM 251 CA PHE A 9 -8.325 -2.528 -11.032 1.00 0.00 C ATOM 252 C PHE A 9 -8.384 -1.045 -11.406 1.00 0.00 C ATOM 253 O PHE A 9 -9.294 -0.599 -12.075 1.00 0.00 O ATOM 254 CB PHE A 9 -7.008 -3.141 -11.584 1.00 0.00 C ATOM 255 CG PHE A 9 -6.091 -3.544 -10.439 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.604 -4.234 -9.332 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.727 -3.230 -10.494 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.755 -4.606 -8.282 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.878 -3.603 -9.444 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.393 -4.290 -8.338 1.00 0.00 C ATOM 0 H PHE A 9 -10.215 -2.619 -12.039 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.346 -2.642 -9.948 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.235 -4.011 -12.201 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.504 -2.418 -12.225 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.655 -4.479 -9.289 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.329 -2.700 -11.347 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.152 -5.137 -7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.826 -3.361 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.739 -4.576 -7.528 1.00 0.00 H new ATOM 270 N LYS A 10 -7.416 -0.279 -10.972 1.00 0.00 N ATOM 271 CA LYS A 10 -7.407 1.178 -11.294 1.00 0.00 C ATOM 272 C LYS A 10 -5.994 1.657 -11.552 1.00 0.00 C ATOM 273 O LYS A 10 -5.041 0.900 -11.486 1.00 0.00 O ATOM 274 CB LYS A 10 -8.040 1.959 -10.130 1.00 0.00 C ATOM 275 CG LYS A 10 -7.146 1.878 -8.874 1.00 0.00 C ATOM 276 CD LYS A 10 -7.963 1.365 -7.683 1.00 0.00 C ATOM 277 CE LYS A 10 -9.018 2.406 -7.301 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.670 2.006 -6.022 1.00 0.00 N ATOM 0 H LYS A 10 -6.630 -0.601 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.989 1.350 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.180 3.001 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.027 1.554 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.302 1.214 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.734 2.861 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.444 0.421 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.306 1.169 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.555 3.387 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.764 2.490 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.387 2.713 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.125 1.078 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.953 1.947 -5.271 1.00 0.00 H new ATOM 292 N ALA A 11 -5.861 2.916 -11.848 1.00 0.00 N ATOM 293 CA ALA A 11 -4.527 3.475 -12.121 1.00 0.00 C ATOM 294 C ALA A 11 -3.858 3.808 -10.784 1.00 0.00 C ATOM 295 O ALA A 11 -4.470 4.401 -9.913 1.00 0.00 O ATOM 296 CB ALA A 11 -4.655 4.741 -12.960 1.00 0.00 C ATOM 0 H ALA A 11 -6.631 3.582 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.927 2.751 -12.672 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.663 5.148 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.145 4.504 -13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.249 5.478 -12.419 1.00 0.00 H new ATOM 302 N THR A 12 -2.616 3.434 -10.605 1.00 0.00 N ATOM 303 CA THR A 12 -1.922 3.734 -9.310 1.00 0.00 C ATOM 304 C THR A 12 -0.762 4.696 -9.561 1.00 0.00 C ATOM 305 O THR A 12 0.315 4.546 -9.011 1.00 0.00 O ATOM 306 CB THR A 12 -1.392 2.435 -8.691 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.755 1.659 -9.693 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.554 1.643 -8.089 1.00 0.00 C ATOM 0 H THR A 12 -2.053 2.936 -11.294 1.00 0.00 H new ATOM 0 HA THR A 12 -2.630 4.195 -8.621 1.00 0.00 H new ATOM 0 HB THR A 12 -0.674 2.673 -7.907 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.431 1.281 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.176 0.720 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.040 2.240 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.275 1.404 -8.871 1.00 0.00 H new ATOM 316 N ALA A 13 -0.978 5.685 -10.389 1.00 0.00 N ATOM 317 CA ALA A 13 0.100 6.671 -10.691 1.00 0.00 C ATOM 318 C ALA A 13 -0.410 7.687 -11.677 1.00 0.00 C ATOM 319 O ALA A 13 -1.514 7.594 -12.181 1.00 0.00 O ATOM 320 CB ALA A 13 1.313 5.961 -11.296 1.00 0.00 C ATOM 0 H ALA A 13 -1.861 5.852 -10.872 1.00 0.00 H new ATOM 0 HA ALA A 13 0.394 7.163 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.092 6.692 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.693 5.223 -10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.019 5.461 -12.219 1.00 0.00 H new ATOM 326 N ASP A 14 0.394 8.659 -11.950 1.00 0.00 N ATOM 327 CA ASP A 14 0.011 9.714 -12.899 1.00 0.00 C ATOM 328 C ASP A 14 0.198 9.224 -14.348 1.00 0.00 C ATOM 329 O ASP A 14 -0.088 9.941 -15.289 1.00 0.00 O ATOM 330 CB ASP A 14 0.896 10.902 -12.629 1.00 0.00 C ATOM 331 CG ASP A 14 0.224 12.179 -13.136 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.749 12.595 -12.528 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.694 12.720 -14.124 1.00 0.00 O ATOM 0 H ASP A 14 1.323 8.767 -11.544 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.038 9.981 -12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.093 10.984 -11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.859 10.768 -13.121 1.00 0.00 H new ATOM 338 N ASP A 15 0.664 8.002 -14.532 1.00 0.00 N ATOM 339 CA ASP A 15 0.852 7.469 -15.878 1.00 0.00 C ATOM 340 C ASP A 15 0.363 6.018 -15.920 1.00 0.00 C ATOM 341 O ASP A 15 0.816 5.229 -16.730 1.00 0.00 O ATOM 342 CB ASP A 15 2.334 7.530 -16.255 1.00 0.00 C ATOM 343 CG ASP A 15 2.605 8.796 -17.070 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.458 8.741 -18.280 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.953 9.799 -16.471 1.00 0.00 O ATOM 0 H ASP A 15 0.918 7.363 -13.779 1.00 0.00 H new ATOM 0 HA ASP A 15 0.281 8.065 -16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.949 7.526 -15.355 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.609 6.648 -16.833 1.00 0.00 H new ATOM 350 N GLU A 16 -0.569 5.663 -15.058 1.00 0.00 N ATOM 351 CA GLU A 16 -1.095 4.276 -15.051 1.00 0.00 C ATOM 352 C GLU A 16 -2.505 4.300 -15.628 1.00 0.00 C ATOM 353 O GLU A 16 -3.056 5.360 -15.875 1.00 0.00 O ATOM 354 CB GLU A 16 -1.112 3.746 -13.616 1.00 0.00 C ATOM 355 CG GLU A 16 -1.234 2.224 -13.638 1.00 0.00 C ATOM 356 CD GLU A 16 -0.399 1.622 -12.508 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.664 2.157 -12.232 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.833 0.637 -11.939 1.00 0.00 O ATOM 0 H GLU A 16 -0.981 6.284 -14.362 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.464 3.621 -15.652 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.200 4.041 -13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.947 4.181 -13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.278 1.932 -13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.896 1.837 -14.599 1.00 0.00 H new ATOM 365 N LEU A 17 -3.091 3.153 -15.871 1.00 0.00 N ATOM 366 CA LEU A 17 -4.460 3.139 -16.463 1.00 0.00 C ATOM 367 C LEU A 17 -5.429 2.353 -15.592 1.00 0.00 C ATOM 368 O LEU A 17 -5.089 1.345 -15.001 1.00 0.00 O ATOM 369 CB LEU A 17 -4.392 2.518 -17.864 1.00 0.00 C ATOM 370 CG LEU A 17 -5.770 2.568 -18.541 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.239 4.025 -18.680 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.668 1.925 -19.930 1.00 0.00 C ATOM 0 H LEU A 17 -2.684 2.236 -15.687 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.826 4.164 -16.526 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.662 3.054 -18.471 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.052 1.485 -17.794 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.492 2.024 -17.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.217 4.048 -19.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.310 4.480 -17.692 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.523 4.581 -19.285 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.642 1.956 -20.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.943 2.473 -20.532 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.346 0.889 -19.828 1.00 0.00 H new ATOM 384 N SER A 18 -6.647 2.823 -15.526 1.00 0.00 N ATOM 385 CA SER A 18 -7.680 2.153 -14.724 1.00 0.00 C ATOM 386 C SER A 18 -8.585 1.341 -15.650 1.00 0.00 C ATOM 387 O SER A 18 -8.665 1.603 -16.836 1.00 0.00 O ATOM 388 CB SER A 18 -8.495 3.202 -14.022 1.00 0.00 C ATOM 389 OG SER A 18 -7.667 4.306 -13.678 1.00 0.00 O ATOM 0 H SER A 18 -6.964 3.663 -16.010 1.00 0.00 H new ATOM 0 HA SER A 18 -7.219 1.488 -13.993 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.310 3.534 -14.666 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.949 2.782 -13.124 1.00 0.00 H new ATOM 0 HG SER A 18 -8.203 4.988 -13.222 1.00 0.00 H new ATOM 395 N PHE A 19 -9.272 0.368 -15.116 1.00 0.00 N ATOM 396 CA PHE A 19 -10.184 -0.460 -15.956 1.00 0.00 C ATOM 397 C PHE A 19 -10.918 -1.453 -15.054 1.00 0.00 C ATOM 398 O PHE A 19 -10.547 -1.650 -13.921 1.00 0.00 O ATOM 399 CB PHE A 19 -9.369 -1.209 -17.026 1.00 0.00 C ATOM 400 CG PHE A 19 -8.363 -2.126 -16.366 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.772 -3.372 -15.881 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.027 -1.728 -16.239 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.844 -4.223 -15.268 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.099 -2.578 -15.627 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.507 -3.826 -15.141 1.00 0.00 C ATOM 0 H PHE A 19 -9.241 0.110 -14.130 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.910 0.178 -16.460 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.037 -1.788 -17.664 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.855 -0.495 -17.669 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.803 -3.678 -15.979 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.712 -0.765 -16.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.159 -5.186 -14.893 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.068 -2.271 -15.530 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.791 -4.482 -14.668 1.00 0.00 H new ATOM 415 N LYS A 20 -11.958 -2.067 -15.545 1.00 0.00 N ATOM 416 CA LYS A 20 -12.720 -3.039 -14.709 1.00 0.00 C ATOM 417 C LYS A 20 -12.530 -4.449 -15.240 1.00 0.00 C ATOM 418 O LYS A 20 -11.880 -4.671 -16.245 1.00 0.00 O ATOM 419 CB LYS A 20 -14.201 -2.689 -14.752 1.00 0.00 C ATOM 420 CG LYS A 20 -14.392 -1.273 -14.239 1.00 0.00 C ATOM 421 CD LYS A 20 -14.550 -1.298 -12.717 1.00 0.00 C ATOM 422 CE LYS A 20 -14.462 0.129 -12.171 1.00 0.00 C ATOM 423 NZ LYS A 20 -15.333 0.252 -10.967 1.00 0.00 N ATOM 0 H LYS A 20 -12.315 -1.938 -16.492 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.352 -2.988 -13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.578 -2.774 -15.771 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.771 -3.390 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.537 -0.656 -14.516 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.272 -0.824 -14.699 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.508 -1.743 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.773 -1.918 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.430 0.369 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.774 0.842 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.275 1.221 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.317 0.040 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.015 -0.419 -10.239 1.00 0.00 H new ATOM 437 N ARG A 21 -13.113 -5.398 -14.570 1.00 0.00 N ATOM 438 CA ARG A 21 -13.008 -6.814 -15.009 1.00 0.00 C ATOM 439 C ARG A 21 -13.952 -7.015 -16.199 1.00 0.00 C ATOM 440 O ARG A 21 -15.160 -7.038 -16.053 1.00 0.00 O ATOM 441 CB ARG A 21 -13.396 -7.720 -13.829 1.00 0.00 C ATOM 442 CG ARG A 21 -13.546 -9.185 -14.281 1.00 0.00 C ATOM 443 CD ARG A 21 -14.980 -9.642 -14.019 1.00 0.00 C ATOM 444 NE ARG A 21 -14.985 -11.079 -13.628 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.829 -11.414 -12.376 1.00 0.00 C ATOM 446 NH1 ARG A 21 -15.868 -11.512 -11.594 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.633 -11.647 -11.908 1.00 0.00 N ATOM 0 H ARG A 21 -13.666 -5.251 -13.725 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.993 -7.065 -15.318 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.637 -7.652 -13.050 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.333 -7.373 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.309 -9.278 -15.341 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.844 -9.820 -13.740 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.426 -9.038 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.587 -9.496 -14.912 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.110 -11.801 -14.338 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.802 -11.327 -11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.747 -11.774 -10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.821 -11.567 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.510 -11.909 -10.930 1.00 0.00 H new ATOM 461 N GLY A 22 -13.400 -7.137 -17.374 1.00 0.00 N ATOM 462 CA GLY A 22 -14.239 -7.311 -18.594 1.00 0.00 C ATOM 463 C GLY A 22 -14.108 -6.064 -19.493 1.00 0.00 C ATOM 464 O GLY A 22 -14.669 -6.013 -20.573 1.00 0.00 O ATOM 0 H GLY A 22 -12.394 -7.124 -17.543 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.925 -8.200 -19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.281 -7.461 -18.313 1.00 0.00 H new ATOM 468 N ASP A 23 -13.364 -5.062 -19.056 1.00 0.00 N ATOM 469 CA ASP A 23 -13.185 -3.863 -19.838 1.00 0.00 C ATOM 470 C ASP A 23 -11.944 -4.040 -20.686 1.00 0.00 C ATOM 471 O ASP A 23 -10.845 -3.757 -20.246 1.00 0.00 O ATOM 472 CB ASP A 23 -12.983 -2.703 -18.883 1.00 0.00 C ATOM 473 CG ASP A 23 -14.285 -1.909 -18.740 1.00 0.00 C ATOM 474 OD1 ASP A 23 -15.175 -2.386 -18.055 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.368 -0.838 -19.317 1.00 0.00 O ATOM 0 H ASP A 23 -12.875 -5.061 -18.161 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.049 -3.672 -20.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.665 -3.074 -17.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.189 -2.053 -19.251 1.00 0.00 H new ATOM 480 N ILE A 24 -12.096 -4.521 -21.877 1.00 0.00 N ATOM 481 CA ILE A 24 -10.906 -4.739 -22.740 1.00 0.00 C ATOM 482 C ILE A 24 -10.291 -3.390 -23.109 1.00 0.00 C ATOM 483 O ILE A 24 -10.959 -2.483 -23.566 1.00 0.00 O ATOM 484 CB ILE A 24 -11.281 -5.542 -23.991 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.268 -6.686 -23.586 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.988 -6.126 -24.572 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.305 -7.793 -24.644 1.00 0.00 C ATOM 0 H ILE A 24 -12.991 -4.774 -22.295 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.166 -5.321 -22.191 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.770 -4.913 -24.735 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.966 -7.107 -22.627 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.269 -6.275 -23.452 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.220 -6.705 -25.466 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.307 -5.315 -24.831 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.517 -6.773 -23.832 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.000 -8.572 -24.331 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.632 -7.375 -25.596 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.309 -8.220 -24.758 1.00 0.00 H new ATOM 499 N LEU A 25 -9.017 -3.258 -22.868 1.00 0.00 N ATOM 500 CA LEU A 25 -8.302 -1.974 -23.144 1.00 0.00 C ATOM 501 C LEU A 25 -7.685 -2.011 -24.543 1.00 0.00 C ATOM 502 O LEU A 25 -7.637 -3.047 -25.172 1.00 0.00 O ATOM 503 CB LEU A 25 -7.199 -1.803 -22.092 1.00 0.00 C ATOM 504 CG LEU A 25 -7.801 -1.977 -20.683 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.665 -3.445 -20.219 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.072 -1.061 -19.698 1.00 0.00 C ATOM 0 H LEU A 25 -8.428 -3.997 -22.485 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.000 -1.138 -23.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.409 -2.537 -22.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.743 -0.818 -22.185 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.858 -1.713 -20.717 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.094 -3.553 -19.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.194 -4.097 -20.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.611 -3.722 -20.192 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.498 -1.185 -18.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.014 -1.321 -19.675 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.184 -0.024 -20.014 1.00 0.00 H new ATOM 518 N LYS A 26 -7.200 -0.883 -25.036 1.00 0.00 N ATOM 519 CA LYS A 26 -6.578 -0.880 -26.421 1.00 0.00 C ATOM 520 C LYS A 26 -5.068 -0.757 -26.285 1.00 0.00 C ATOM 521 O LYS A 26 -4.563 0.281 -25.949 1.00 0.00 O ATOM 522 CB LYS A 26 -7.117 0.299 -27.235 1.00 0.00 C ATOM 523 CG LYS A 26 -8.402 -0.120 -27.949 1.00 0.00 C ATOM 524 CD LYS A 26 -8.888 1.022 -28.843 1.00 0.00 C ATOM 525 CE LYS A 26 -9.771 0.457 -29.957 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.017 1.513 -30.981 1.00 0.00 N ATOM 0 H LYS A 26 -7.205 0.017 -24.556 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.830 -1.808 -26.934 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.313 1.148 -26.580 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.373 0.623 -27.963 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.223 -1.013 -28.548 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.169 -0.375 -27.218 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.448 1.747 -28.253 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.036 1.550 -29.272 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.287 -0.405 -30.417 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.718 0.109 -29.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.617 1.129 -31.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.495 2.323 -30.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.110 1.825 -31.383 1.00 0.00 H new ATOM 540 N VAL A 27 -4.336 -1.818 -26.531 1.00 0.00 N ATOM 541 CA VAL A 27 -2.849 -1.753 -26.368 1.00 0.00 C ATOM 542 C VAL A 27 -2.244 -0.579 -27.148 1.00 0.00 C ATOM 543 O VAL A 27 -2.321 -0.495 -28.358 1.00 0.00 O ATOM 544 CB VAL A 27 -2.206 -3.069 -26.811 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.711 -3.037 -26.468 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.874 -4.244 -26.073 1.00 0.00 C ATOM 0 H VAL A 27 -4.701 -2.720 -26.836 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.641 -1.592 -25.310 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.336 -3.197 -27.886 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.246 -3.972 -26.781 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.236 -2.204 -26.987 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.587 -2.912 -25.392 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.415 -5.181 -26.390 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.742 -4.121 -24.998 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.938 -4.264 -26.308 1.00 0.00 H new ATOM 556 N LEU A 28 -1.631 0.315 -26.427 1.00 0.00 N ATOM 557 CA LEU A 28 -0.982 1.501 -27.035 1.00 0.00 C ATOM 558 C LEU A 28 0.484 1.179 -27.286 1.00 0.00 C ATOM 559 O LEU A 28 1.084 1.646 -28.238 1.00 0.00 O ATOM 560 CB LEU A 28 -1.081 2.674 -26.034 1.00 0.00 C ATOM 561 CG LEU A 28 -1.968 3.794 -26.590 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.329 3.226 -27.020 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.174 4.852 -25.492 1.00 0.00 C ATOM 0 H LEU A 28 -1.552 0.268 -25.411 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.467 1.767 -27.974 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.489 2.317 -25.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.085 3.064 -25.824 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.487 4.244 -27.458 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.951 4.030 -27.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.181 2.471 -27.792 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.822 2.773 -26.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.804 5.655 -25.874 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.656 4.392 -24.629 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.208 5.259 -25.193 1.00 0.00 H new ATOM 575 N ASN A 29 1.066 0.384 -26.425 1.00 0.00 N ATOM 576 CA ASN A 29 2.502 0.022 -26.589 1.00 0.00 C ATOM 577 C ASN A 29 2.695 -1.454 -26.257 1.00 0.00 C ATOM 578 O ASN A 29 2.318 -1.924 -25.191 1.00 0.00 O ATOM 579 CB ASN A 29 3.368 0.875 -25.665 1.00 0.00 C ATOM 580 CG ASN A 29 4.790 0.946 -26.221 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.067 1.724 -27.111 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.708 0.160 -25.731 1.00 0.00 N ATOM 0 H ASN A 29 0.606 -0.030 -25.614 1.00 0.00 H new ATOM 0 HA ASN A 29 2.801 0.206 -27.621 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.949 1.878 -25.580 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.379 0.448 -24.662 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.660 0.198 -26.095 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.474 -0.493 -24.983 1.00 0.00 H new ATOM 673 N TRP A 36 3.659 -5.222 -17.486 1.00 0.00 N ATOM 674 CA TRP A 36 2.632 -4.176 -17.825 1.00 0.00 C ATOM 675 C TRP A 36 2.908 -3.618 -19.228 1.00 0.00 C ATOM 676 O TRP A 36 4.034 -3.324 -19.581 1.00 0.00 O ATOM 677 CB TRP A 36 2.666 -2.965 -16.853 1.00 0.00 C ATOM 678 CG TRP A 36 2.743 -3.355 -15.393 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.722 -4.102 -14.826 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.854 -2.954 -14.286 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.476 -4.212 -13.470 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.355 -3.519 -13.088 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.670 -2.174 -14.198 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.730 -3.318 -11.857 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.046 -1.974 -12.948 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.579 -2.542 -11.787 1.00 0.00 C ATOM 0 HA TRP A 36 1.662 -4.668 -17.756 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.524 -2.339 -17.098 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.774 -2.359 -17.011 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.559 -4.540 -15.349 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.061 -4.747 -12.827 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.247 -1.734 -15.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.139 -3.764 -10.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.852 -1.377 -12.888 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.096 -2.378 -10.835 1.00 0.00 H new ATOM 697 N TYR A 37 1.876 -3.424 -20.003 1.00 0.00 N ATOM 698 CA TYR A 37 2.038 -2.828 -21.366 1.00 0.00 C ATOM 699 C TYR A 37 1.515 -1.385 -21.289 1.00 0.00 C ATOM 700 O TYR A 37 1.403 -0.833 -20.233 1.00 0.00 O ATOM 701 CB TYR A 37 1.150 -3.573 -22.379 1.00 0.00 C ATOM 702 CG TYR A 37 1.271 -5.065 -22.284 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.523 -5.687 -22.260 1.00 0.00 C ATOM 704 CD2 TYR A 37 0.103 -5.834 -22.258 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.603 -7.083 -22.205 1.00 0.00 C ATOM 706 CE2 TYR A 37 0.175 -7.220 -22.212 1.00 0.00 C ATOM 707 CZ TYR A 37 1.428 -7.852 -22.185 1.00 0.00 C ATOM 708 OH TYR A 37 1.507 -9.227 -22.148 1.00 0.00 O ATOM 0 H TYR A 37 0.915 -3.655 -19.750 1.00 0.00 H new ATOM 0 HA TYR A 37 3.082 -2.886 -21.674 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.110 -3.288 -22.219 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.416 -3.257 -23.388 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.424 -5.093 -22.284 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.861 -5.347 -22.274 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.567 -7.569 -22.178 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.730 -7.810 -22.197 1.00 0.00 H new ATOM 0 HH TYR A 37 2.448 -9.501 -22.141 1.00 0.00 H new ATOM 718 N LYS A 38 1.123 -0.813 -22.404 1.00 0.00 N ATOM 719 CA LYS A 38 0.496 0.540 -22.404 1.00 0.00 C ATOM 720 C LYS A 38 -0.874 0.324 -23.016 1.00 0.00 C ATOM 721 O LYS A 38 -1.136 -0.742 -23.549 1.00 0.00 O ATOM 722 CB LYS A 38 1.256 1.496 -23.288 1.00 0.00 C ATOM 723 CG LYS A 38 2.594 1.848 -22.681 1.00 0.00 C ATOM 724 CD LYS A 38 3.144 3.063 -23.433 1.00 0.00 C ATOM 725 CE LYS A 38 3.685 4.076 -22.435 1.00 0.00 C ATOM 726 NZ LYS A 38 3.964 5.364 -23.131 1.00 0.00 N ATOM 0 H LYS A 38 1.215 -1.237 -23.327 1.00 0.00 H new ATOM 0 HA LYS A 38 0.475 0.962 -21.399 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.405 1.048 -24.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.670 2.403 -23.437 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.485 2.073 -21.620 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.282 1.006 -22.759 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.934 2.753 -24.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.358 3.516 -24.037 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.963 4.233 -21.634 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.596 3.696 -21.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.334 6.055 -22.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.668 5.208 -23.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.085 5.729 -23.551 1.00 0.00 H new ATOM 740 N ALA A 39 -1.748 1.293 -22.980 1.00 0.00 N ATOM 741 CA ALA A 39 -3.115 1.080 -23.616 1.00 0.00 C ATOM 742 C ALA A 39 -4.027 2.215 -23.363 1.00 0.00 C ATOM 743 O ALA A 39 -3.662 3.212 -22.789 1.00 0.00 O ATOM 744 CB ALA A 39 -3.766 -0.216 -23.096 1.00 0.00 C ATOM 0 H ALA A 39 -1.597 2.207 -22.553 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.950 1.003 -24.691 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.741 -0.347 -23.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.129 -1.066 -23.340 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.888 -0.153 -22.015 1.00 0.00 H new ATOM 750 N GLU A 40 -5.227 2.087 -23.853 1.00 0.00 N ATOM 751 CA GLU A 40 -6.176 3.174 -23.704 1.00 0.00 C ATOM 752 C GLU A 40 -7.618 2.681 -23.765 1.00 0.00 C ATOM 753 O GLU A 40 -8.029 1.962 -24.648 1.00 0.00 O ATOM 754 CB GLU A 40 -5.844 4.218 -24.778 1.00 0.00 C ATOM 755 CG GLU A 40 -6.964 4.389 -25.826 1.00 0.00 C ATOM 756 CD GLU A 40 -6.615 5.544 -26.765 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.403 6.639 -26.269 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.563 5.315 -27.961 1.00 0.00 O ATOM 0 H GLU A 40 -5.574 1.266 -24.349 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.088 3.632 -22.719 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.656 5.178 -24.297 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.923 3.929 -25.284 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.087 3.468 -26.396 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.914 4.585 -25.329 1.00 0.00 H new ATOM 765 N LEU A 41 -8.364 3.116 -22.829 1.00 0.00 N ATOM 766 CA LEU A 41 -9.804 2.750 -22.749 1.00 0.00 C ATOM 767 C LEU A 41 -10.675 3.855 -23.235 1.00 0.00 C ATOM 768 O LEU A 41 -11.046 4.764 -22.520 1.00 0.00 O ATOM 769 CB LEU A 41 -10.185 2.387 -21.332 1.00 0.00 C ATOM 770 CG LEU A 41 -9.978 0.912 -21.159 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.820 0.597 -19.671 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.192 0.184 -21.733 1.00 0.00 C ATOM 0 H LEU A 41 -8.042 3.732 -22.082 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.955 1.884 -23.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.576 2.943 -20.619 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.224 2.651 -21.137 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.079 0.586 -21.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.669 -0.475 -19.540 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.959 1.136 -19.274 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.719 0.905 -19.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.060 -0.892 -21.616 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.090 0.499 -21.202 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.294 0.424 -22.791 1.00 0.00 H new ATOM 784 N ASN A 42 -11.045 3.732 -24.451 1.00 0.00 N ATOM 785 CA ASN A 42 -11.963 4.705 -25.101 1.00 0.00 C ATOM 786 C ASN A 42 -11.643 6.186 -24.770 1.00 0.00 C ATOM 787 O ASN A 42 -12.512 7.037 -24.863 1.00 0.00 O ATOM 788 CB ASN A 42 -13.364 4.407 -24.625 1.00 0.00 C ATOM 789 CG ASN A 42 -14.032 3.401 -25.564 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.448 2.392 -25.907 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.239 3.636 -25.997 1.00 0.00 N ATOM 0 H ASN A 42 -10.745 2.970 -25.059 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.846 4.590 -26.179 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.335 4.007 -23.611 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.948 5.327 -24.589 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.694 2.973 -26.624 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.728 4.483 -25.709 1.00 0.00 H new ATOM 798 N GLY A 43 -10.438 6.498 -24.395 1.00 0.00 N ATOM 799 CA GLY A 43 -10.102 7.926 -24.067 1.00 0.00 C ATOM 800 C GLY A 43 -8.988 7.979 -23.021 1.00 0.00 C ATOM 801 O GLY A 43 -8.090 8.799 -23.107 1.00 0.00 O ATOM 0 H GLY A 43 -9.668 5.836 -24.299 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.788 8.450 -24.970 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.988 8.439 -23.692 1.00 0.00 H new ATOM 805 N LYS A 44 -9.020 7.097 -22.047 1.00 0.00 N ATOM 806 CA LYS A 44 -7.975 7.075 -21.034 1.00 0.00 C ATOM 807 C LYS A 44 -6.855 6.251 -21.557 1.00 0.00 C ATOM 808 O LYS A 44 -6.971 5.621 -22.589 1.00 0.00 O ATOM 809 CB LYS A 44 -8.491 6.463 -19.748 1.00 0.00 C ATOM 810 CG LYS A 44 -9.065 7.568 -18.877 1.00 0.00 C ATOM 811 CD LYS A 44 -10.105 6.988 -17.914 1.00 0.00 C ATOM 812 CE LYS A 44 -9.428 5.999 -16.964 1.00 0.00 C ATOM 813 NZ LYS A 44 -10.416 4.969 -16.510 1.00 0.00 N ATOM 0 H LYS A 44 -9.747 6.391 -21.930 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.647 8.092 -20.819 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.256 5.717 -19.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.685 5.949 -19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.266 8.051 -18.315 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.523 8.334 -19.502 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.576 7.790 -17.345 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.895 6.488 -18.474 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.590 5.515 -17.466 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.021 6.529 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.544 5.041 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.328 5.130 -16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.064 4.020 -16.750 1.00 0.00 H new ATOM 827 N ASP A 45 -5.771 6.256 -20.872 1.00 0.00 N ATOM 828 CA ASP A 45 -4.618 5.480 -21.324 1.00 0.00 C ATOM 829 C ASP A 45 -3.529 5.367 -20.236 1.00 0.00 C ATOM 830 O ASP A 45 -3.648 5.894 -19.147 1.00 0.00 O ATOM 831 CB ASP A 45 -4.088 6.153 -22.610 1.00 0.00 C ATOM 832 CG ASP A 45 -2.898 7.109 -22.340 1.00 0.00 C ATOM 833 OD1 ASP A 45 -3.141 8.208 -21.872 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.774 6.715 -22.609 1.00 0.00 O ATOM 0 H ASP A 45 -5.633 6.773 -20.004 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.917 4.453 -21.533 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.777 5.383 -23.316 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.896 6.711 -23.083 1.00 0.00 H new ATOM 839 N GLY A 46 -2.455 4.694 -20.571 1.00 0.00 N ATOM 840 CA GLY A 46 -1.322 4.535 -19.627 1.00 0.00 C ATOM 841 C GLY A 46 -0.895 3.073 -19.533 1.00 0.00 C ATOM 842 O GLY A 46 -1.261 2.251 -20.352 1.00 0.00 O ATOM 0 H GLY A 46 -2.320 4.243 -21.476 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.480 5.144 -19.957 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.611 4.898 -18.641 1.00 0.00 H new ATOM 846 N PHE A 47 -0.093 2.755 -18.547 1.00 0.00 N ATOM 847 CA PHE A 47 0.407 1.360 -18.393 1.00 0.00 C ATOM 848 C PHE A 47 -0.650 0.472 -17.730 1.00 0.00 C ATOM 849 O PHE A 47 -1.334 0.894 -16.816 1.00 0.00 O ATOM 850 CB PHE A 47 1.654 1.369 -17.504 1.00 0.00 C ATOM 851 CG PHE A 47 2.818 1.994 -18.237 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.512 1.260 -19.206 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.210 3.305 -17.936 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.597 1.838 -19.876 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.296 3.881 -18.606 1.00 0.00 C ATOM 856 CZ PHE A 47 4.990 3.148 -19.576 1.00 0.00 C ATOM 0 H PHE A 47 0.238 3.410 -17.838 1.00 0.00 H new ATOM 0 HA PHE A 47 0.637 0.966 -19.383 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.452 1.925 -16.588 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.906 0.350 -17.210 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.211 0.249 -19.437 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.675 3.871 -17.188 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.131 1.273 -20.625 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.599 4.892 -18.374 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.828 3.593 -20.093 1.00 0.00 H new ATOM 866 N ILE A 48 -0.771 -0.773 -18.163 1.00 0.00 N ATOM 867 CA ILE A 48 -1.756 -1.682 -17.531 1.00 0.00 C ATOM 868 C ILE A 48 -1.028 -2.984 -17.103 1.00 0.00 C ATOM 869 O ILE A 48 -0.294 -3.542 -17.884 1.00 0.00 O ATOM 870 CB ILE A 48 -2.867 -2.012 -18.538 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.252 -2.535 -19.845 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.670 -0.743 -18.828 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.368 -2.975 -20.799 1.00 0.00 C ATOM 0 H ILE A 48 -0.227 -1.182 -18.923 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.200 -1.205 -16.657 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.519 -2.779 -18.119 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.647 -1.757 -20.311 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.587 -3.373 -19.636 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.461 -0.969 -19.543 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.111 -0.372 -17.903 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.010 0.018 -19.245 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.930 -3.346 -21.726 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.954 -3.767 -20.333 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.015 -2.126 -21.018 1.00 0.00 H new ATOM 885 N PRO A 49 -1.249 -3.452 -15.875 1.00 0.00 N ATOM 886 CA PRO A 49 -0.608 -4.683 -15.406 1.00 0.00 C ATOM 887 C PRO A 49 -1.185 -5.885 -16.135 1.00 0.00 C ATOM 888 O PRO A 49 -2.250 -6.333 -15.849 1.00 0.00 O ATOM 889 CB PRO A 49 -0.917 -4.738 -13.907 1.00 0.00 C ATOM 890 CG PRO A 49 -2.154 -3.820 -13.698 1.00 0.00 C ATOM 891 CD PRO A 49 -2.141 -2.823 -14.886 1.00 0.00 C ATOM 0 HA PRO A 49 0.465 -4.697 -15.594 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.129 -5.759 -13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.068 -4.390 -13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.076 -4.402 -13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.095 -3.294 -12.745 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.142 -2.673 -15.291 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.770 -1.844 -14.581 1.00 0.00 H new ATOM 899 N LYS A 50 -0.464 -6.375 -17.089 1.00 0.00 N ATOM 900 CA LYS A 50 -0.893 -7.549 -17.905 1.00 0.00 C ATOM 901 C LYS A 50 -1.433 -8.726 -17.019 1.00 0.00 C ATOM 902 O LYS A 50 -2.135 -9.578 -17.512 1.00 0.00 O ATOM 903 CB LYS A 50 0.350 -7.982 -18.692 1.00 0.00 C ATOM 904 CG LYS A 50 0.117 -9.274 -19.483 1.00 0.00 C ATOM 905 CD LYS A 50 1.343 -10.189 -19.303 1.00 0.00 C ATOM 906 CE LYS A 50 0.886 -11.639 -19.155 1.00 0.00 C ATOM 907 NZ LYS A 50 0.830 -12.281 -20.500 1.00 0.00 N ATOM 0 H LYS A 50 0.446 -5.999 -17.354 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.720 -7.279 -18.561 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.639 -7.186 -19.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.182 -8.126 -18.003 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.784 -9.776 -19.131 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.035 -9.049 -20.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.009 -10.093 -20.160 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.910 -9.885 -18.423 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.573 -12.184 -18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.095 -11.676 -18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.519 -13.268 -20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.158 -11.765 -21.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.774 -12.258 -20.935 1.00 0.00 H new ATOM 921 N ASN A 51 -1.107 -8.788 -15.741 1.00 0.00 N ATOM 922 CA ASN A 51 -1.602 -9.892 -14.889 1.00 0.00 C ATOM 923 C ASN A 51 -3.134 -9.893 -14.847 1.00 0.00 C ATOM 924 O ASN A 51 -3.768 -10.931 -14.801 1.00 0.00 O ATOM 925 CB ASN A 51 -1.039 -9.706 -13.518 1.00 0.00 C ATOM 926 CG ASN A 51 0.301 -10.437 -13.395 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.297 -10.001 -13.936 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.366 -11.540 -12.701 1.00 0.00 N ATOM 0 H ASN A 51 -0.514 -8.109 -15.263 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.284 -10.852 -15.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.903 -8.644 -13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.739 -10.087 -12.774 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.253 -12.036 -12.613 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.470 -11.907 -12.246 1.00 0.00 H new ATOM 935 N TYR A 52 -3.720 -8.737 -14.907 1.00 0.00 N ATOM 936 CA TYR A 52 -5.203 -8.614 -14.923 1.00 0.00 C ATOM 937 C TYR A 52 -5.604 -8.420 -16.364 1.00 0.00 C ATOM 938 O TYR A 52 -6.526 -7.675 -16.670 1.00 0.00 O ATOM 939 CB TYR A 52 -5.623 -7.346 -14.148 1.00 0.00 C ATOM 940 CG TYR A 52 -5.549 -7.501 -12.679 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.499 -8.176 -12.059 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.541 -6.911 -11.927 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.461 -8.252 -10.679 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.512 -6.988 -10.563 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.473 -7.658 -9.920 1.00 0.00 C ATOM 946 OH TYR A 52 -5.442 -7.728 -8.545 1.00 0.00 O ATOM 0 H TYR A 52 -3.223 -7.847 -14.947 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.668 -9.492 -14.475 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.984 -6.516 -14.451 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.643 -7.081 -14.427 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.722 -8.636 -12.651 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.346 -6.385 -12.418 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.650 -8.770 -10.188 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.297 -6.528 -9.981 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.526 -6.827 -8.170 1.00 0.00 H new ATOM 956 N ILE A 53 -4.882 -9.029 -17.278 1.00 0.00 N ATOM 957 CA ILE A 53 -5.186 -8.812 -18.691 1.00 0.00 C ATOM 958 C ILE A 53 -4.688 -9.956 -19.582 1.00 0.00 C ATOM 959 O ILE A 53 -3.925 -10.809 -19.177 1.00 0.00 O ATOM 960 CB ILE A 53 -4.512 -7.528 -19.197 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.288 -6.499 -18.084 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.384 -6.895 -20.259 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.438 -5.368 -18.630 1.00 0.00 C ATOM 0 H ILE A 53 -4.103 -9.660 -17.088 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.272 -8.746 -18.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.538 -7.813 -19.594 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.244 -6.115 -17.727 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.794 -6.966 -17.232 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.911 -5.983 -20.622 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.512 -7.592 -21.087 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.358 -6.654 -19.834 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.271 -4.628 -17.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.479 -5.763 -18.967 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.952 -4.899 -19.469 1.00 0.00 H new ATOM 975 N GLU A 54 -5.079 -9.901 -20.827 1.00 0.00 N ATOM 976 CA GLU A 54 -4.643 -10.871 -21.827 1.00 0.00 C ATOM 977 C GLU A 54 -4.695 -10.166 -23.183 1.00 0.00 C ATOM 978 O GLU A 54 -5.417 -9.206 -23.349 1.00 0.00 O ATOM 979 CB GLU A 54 -5.546 -12.080 -21.830 1.00 0.00 C ATOM 980 CG GLU A 54 -4.859 -13.245 -21.108 1.00 0.00 C ATOM 981 CD GLU A 54 -4.011 -14.037 -22.107 1.00 0.00 C ATOM 982 OE1 GLU A 54 -2.929 -13.576 -22.431 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.459 -15.091 -22.530 1.00 0.00 O ATOM 0 H GLU A 54 -5.710 -9.186 -21.189 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.635 -11.222 -21.606 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.489 -11.842 -21.339 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.784 -12.365 -22.855 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.231 -12.867 -20.301 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.606 -13.896 -20.653 1.00 0.00 H new ATOM 990 N MET A 55 -3.921 -10.609 -24.129 1.00 0.00 N ATOM 991 CA MET A 55 -3.883 -9.913 -25.467 1.00 0.00 C ATOM 992 C MET A 55 -4.807 -10.563 -26.500 1.00 0.00 C ATOM 993 O MET A 55 -4.585 -11.679 -26.933 1.00 0.00 O ATOM 994 CB MET A 55 -2.449 -9.944 -25.998 1.00 0.00 C ATOM 995 CG MET A 55 -2.243 -8.784 -26.973 1.00 0.00 C ATOM 996 SD MET A 55 -0.500 -8.703 -27.456 1.00 0.00 S ATOM 997 CE MET A 55 -0.750 -7.929 -29.072 1.00 0.00 C ATOM 0 H MET A 55 -3.309 -11.421 -24.046 1.00 0.00 H new ATOM 0 HA MET A 55 -4.231 -8.891 -25.315 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.742 -9.869 -25.172 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.255 -10.893 -26.498 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.870 -8.920 -27.854 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.546 -7.846 -26.508 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.216 -7.669 -29.504 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.268 -8.625 -29.732 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.350 -7.026 -28.954 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.843 -9.855 -26.908 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.771 -10.385 -27.902 1.00 0.00 C ATOM 1009 C LYS A 56 -6.658 -9.631 -29.242 1.00 0.00 C ATOM 1010 O LYS A 56 -6.234 -8.476 -29.281 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.161 -10.243 -27.366 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.522 -11.496 -26.592 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.846 -11.290 -25.848 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.961 -10.959 -26.846 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.235 -10.708 -26.112 1.00 0.00 N ATOM 0 H LYS A 56 -6.067 -8.918 -26.573 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.528 -11.431 -28.090 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.227 -9.368 -26.719 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.866 -10.089 -28.183 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.606 -12.343 -27.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.730 -11.736 -25.882 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.102 -12.190 -25.289 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.744 -10.482 -25.123 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.689 -10.081 -27.432 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.091 -11.783 -27.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.770 -9.956 -26.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.803 -11.579 -26.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.022 -10.414 -25.137 1.00 0.00 H new