USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 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 18 SER OG : rot 180:sc= 0.0604 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0503) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.146 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= -0.318 USER MOD Single : A 20 LYS NZ :NH3+ 141:sc= -0.227 (180deg=-1.47!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.31! USER MOD Single : A 42 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc=-0.00838 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.344 -3.608 -30.839 1.00 0.00 N ATOM 125 CA MET A 1 -4.221 -4.765 -30.537 1.00 0.00 C ATOM 126 C MET A 1 -5.009 -4.457 -29.292 1.00 0.00 C ATOM 127 O MET A 1 -4.978 -3.346 -28.793 1.00 0.00 O ATOM 128 CB MET A 1 -3.378 -6.019 -30.318 1.00 0.00 C ATOM 129 CG MET A 1 -3.198 -6.732 -31.645 1.00 0.00 C ATOM 130 SD MET A 1 -1.661 -7.690 -31.619 1.00 0.00 S ATOM 131 CE MET A 1 -0.867 -6.887 -33.033 1.00 0.00 C ATOM 0 H1 MET A 1 -3.603 -3.208 -31.763 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.460 -2.883 -30.103 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.352 -3.921 -30.863 1.00 0.00 H new ATOM 0 HA MET A 1 -4.897 -4.943 -31.373 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.408 -5.752 -29.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.864 -6.679 -29.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.046 -7.391 -31.833 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.172 -6.007 -32.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.114 -7.331 -33.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.483 -7.023 -33.922 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.753 -5.822 -32.830 1.00 0.00 H new ATOM 141 N GLU A 2 -5.714 -5.422 -28.774 1.00 0.00 N ATOM 142 CA GLU A 2 -6.491 -5.195 -27.570 1.00 0.00 C ATOM 143 C GLU A 2 -6.040 -6.212 -26.549 1.00 0.00 C ATOM 144 O GLU A 2 -5.217 -7.065 -26.831 1.00 0.00 O ATOM 145 CB GLU A 2 -7.971 -5.400 -27.895 1.00 0.00 C ATOM 146 CG GLU A 2 -8.779 -4.174 -27.466 1.00 0.00 C ATOM 147 CD GLU A 2 -10.083 -4.116 -28.264 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.073 -4.527 -29.413 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.071 -3.660 -27.713 1.00 0.00 O ATOM 0 H GLU A 2 -5.773 -6.366 -29.155 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.351 -4.185 -27.186 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.096 -5.571 -28.964 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.344 -6.288 -27.384 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.995 -4.223 -26.399 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.198 -3.267 -27.632 1.00 0.00 H new ATOM 156 N ALA A 3 -6.569 -6.134 -25.385 1.00 0.00 N ATOM 157 CA ALA A 3 -6.193 -7.102 -24.327 1.00 0.00 C ATOM 158 C ALA A 3 -7.292 -7.195 -23.275 1.00 0.00 C ATOM 159 O ALA A 3 -7.594 -6.260 -22.575 1.00 0.00 O ATOM 160 CB ALA A 3 -4.887 -6.687 -23.718 1.00 0.00 C ATOM 0 H ALA A 3 -7.257 -5.435 -25.106 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.075 -8.094 -24.764 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.607 -7.396 -22.939 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.116 -6.670 -24.488 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.988 -5.692 -23.283 1.00 0.00 H new ATOM 166 N ILE A 4 -7.900 -8.333 -23.202 1.00 0.00 N ATOM 167 CA ILE A 4 -9.020 -8.565 -22.255 1.00 0.00 C ATOM 168 C ILE A 4 -8.621 -8.314 -20.817 1.00 0.00 C ATOM 169 O ILE A 4 -7.791 -8.994 -20.257 1.00 0.00 O ATOM 170 CB ILE A 4 -9.502 -10.006 -22.412 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.522 -10.357 -21.306 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.323 -10.967 -22.344 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.711 -11.018 -21.929 1.00 0.00 C ATOM 0 H ILE A 4 -7.662 -9.141 -23.777 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.817 -7.860 -22.493 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.986 -10.102 -23.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.066 -11.019 -20.570 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.828 -9.455 -20.776 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.681 -11.990 -22.457 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.620 -10.738 -23.145 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.823 -10.862 -21.381 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.435 -11.269 -21.154 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.169 -10.339 -22.648 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.396 -11.928 -22.439 1.00 0.00 H new ATOM 185 N ALA A 5 -9.289 -7.391 -20.207 1.00 0.00 N ATOM 186 CA ALA A 5 -9.039 -7.116 -18.757 1.00 0.00 C ATOM 187 C ALA A 5 -9.661 -8.272 -17.954 1.00 0.00 C ATOM 188 O ALA A 5 -10.865 -8.380 -17.838 1.00 0.00 O ATOM 189 CB ALA A 5 -9.698 -5.799 -18.347 1.00 0.00 C ATOM 0 H ALA A 5 -10.003 -6.806 -20.642 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.969 -7.038 -18.566 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.509 -5.611 -17.290 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.283 -4.984 -18.941 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.773 -5.861 -18.517 1.00 0.00 H new ATOM 195 N LYS A 6 -8.846 -9.148 -17.433 1.00 0.00 N ATOM 196 CA LYS A 6 -9.367 -10.323 -16.666 1.00 0.00 C ATOM 197 C LYS A 6 -10.045 -9.869 -15.366 1.00 0.00 C ATOM 198 O LYS A 6 -10.874 -10.573 -14.815 1.00 0.00 O ATOM 199 CB LYS A 6 -8.201 -11.247 -16.316 1.00 0.00 C ATOM 200 CG LYS A 6 -7.467 -11.649 -17.589 1.00 0.00 C ATOM 201 CD LYS A 6 -6.099 -12.225 -17.227 1.00 0.00 C ATOM 202 CE LYS A 6 -6.283 -13.543 -16.476 1.00 0.00 C ATOM 203 NZ LYS A 6 -4.950 -14.089 -16.094 1.00 0.00 N ATOM 0 H LYS A 6 -7.830 -9.102 -17.505 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.099 -10.844 -17.283 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.517 -10.743 -15.633 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.569 -12.134 -15.801 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.050 -12.387 -18.140 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.348 -10.784 -18.242 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.511 -12.388 -18.130 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.546 -11.517 -16.610 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.891 -13.384 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.815 -14.259 -17.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.076 -14.986 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.384 -14.255 -16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.458 -13.407 -15.481 1.00 0.00 H new ATOM 217 N TYR A 7 -9.689 -8.712 -14.861 1.00 0.00 N ATOM 218 CA TYR A 7 -10.304 -8.226 -13.580 1.00 0.00 C ATOM 219 C TYR A 7 -10.342 -6.713 -13.568 1.00 0.00 C ATOM 220 O TYR A 7 -10.043 -6.056 -14.548 1.00 0.00 O ATOM 221 CB TYR A 7 -9.475 -8.706 -12.379 1.00 0.00 C ATOM 222 CG TYR A 7 -9.170 -10.181 -12.496 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.065 -10.600 -13.235 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.982 -11.124 -11.853 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.766 -11.962 -13.342 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.683 -12.489 -11.955 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.574 -12.908 -12.699 1.00 0.00 C ATOM 228 OH TYR A 7 -8.275 -14.253 -12.800 1.00 0.00 O ATOM 0 H TYR A 7 -9.002 -8.083 -15.277 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.316 -8.624 -13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.545 -8.141 -12.324 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.020 -8.514 -11.455 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.438 -9.871 -13.726 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.837 -10.799 -11.279 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.913 -12.284 -13.920 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.308 -13.217 -11.460 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.934 -14.773 -12.295 1.00 0.00 H new ATOM 238 N ASP A 8 -10.722 -6.163 -12.456 1.00 0.00 N ATOM 239 CA ASP A 8 -10.809 -4.698 -12.322 1.00 0.00 C ATOM 240 C ASP A 8 -9.471 -4.149 -11.780 1.00 0.00 C ATOM 241 O ASP A 8 -8.605 -4.898 -11.374 1.00 0.00 O ATOM 242 CB ASP A 8 -11.978 -4.387 -11.376 1.00 0.00 C ATOM 243 CG ASP A 8 -11.631 -4.781 -9.927 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.567 -5.969 -9.657 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.438 -3.885 -9.121 1.00 0.00 O ATOM 0 H ASP A 8 -10.981 -6.683 -11.618 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.989 -4.219 -13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.215 -3.324 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.868 -4.926 -11.701 1.00 0.00 H new ATOM 250 N PHE A 9 -9.309 -2.849 -11.773 1.00 0.00 N ATOM 251 CA PHE A 9 -8.042 -2.232 -11.266 1.00 0.00 C ATOM 252 C PHE A 9 -8.076 -0.717 -11.509 1.00 0.00 C ATOM 253 O PHE A 9 -9.020 -0.183 -12.062 1.00 0.00 O ATOM 254 CB PHE A 9 -6.823 -2.833 -12.006 1.00 0.00 C ATOM 255 CG PHE A 9 -5.758 -3.215 -11.003 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.089 -4.023 -9.912 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.445 -2.761 -11.166 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.108 -4.379 -8.980 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.461 -3.116 -10.235 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.792 -3.925 -9.141 1.00 0.00 C ATOM 0 H PHE A 9 -10.007 -2.181 -12.100 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.954 -2.436 -10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.128 -3.709 -12.579 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.424 -2.110 -12.717 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.103 -4.373 -9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.190 -2.137 -12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.365 -5.003 -8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.447 -2.766 -10.361 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.034 -4.199 -8.422 1.00 0.00 H new ATOM 270 N LYS A 10 -7.040 -0.035 -11.104 1.00 0.00 N ATOM 271 CA LYS A 10 -6.967 1.446 -11.307 1.00 0.00 C ATOM 272 C LYS A 10 -5.528 1.841 -11.497 1.00 0.00 C ATOM 273 O LYS A 10 -4.620 1.128 -11.106 1.00 0.00 O ATOM 274 CB LYS A 10 -7.557 2.174 -10.086 1.00 0.00 C ATOM 275 CG LYS A 10 -8.534 3.259 -10.551 1.00 0.00 C ATOM 276 CD LYS A 10 -9.348 3.756 -9.355 1.00 0.00 C ATOM 277 CE LYS A 10 -8.436 4.523 -8.397 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.168 4.796 -7.127 1.00 0.00 N ATOM 0 H LYS A 10 -6.231 -0.442 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.543 1.725 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.070 1.462 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.757 2.621 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.987 4.087 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.199 2.861 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.158 4.400 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.807 2.913 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.535 3.944 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.116 5.460 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.549 5.318 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.015 5.365 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.452 3.896 -6.690 1.00 0.00 H new ATOM 292 N ALA A 11 -5.302 2.972 -12.112 1.00 0.00 N ATOM 293 CA ALA A 11 -3.917 3.412 -12.348 1.00 0.00 C ATOM 294 C ALA A 11 -3.227 3.645 -10.994 1.00 0.00 C ATOM 295 O ALA A 11 -3.775 4.297 -10.121 1.00 0.00 O ATOM 296 CB ALA A 11 -3.905 4.706 -13.144 1.00 0.00 C ATOM 0 H ALA A 11 -6.025 3.603 -12.457 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.389 2.643 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.875 5.021 -13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.397 4.547 -14.104 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.435 5.480 -12.588 1.00 0.00 H new ATOM 302 N THR A 12 -2.040 3.128 -10.810 1.00 0.00 N ATOM 303 CA THR A 12 -1.329 3.333 -9.506 1.00 0.00 C ATOM 304 C THR A 12 -0.309 4.453 -9.677 1.00 0.00 C ATOM 305 O THR A 12 -0.387 5.481 -9.030 1.00 0.00 O ATOM 306 CB THR A 12 -0.622 2.038 -9.089 1.00 0.00 C ATOM 307 OG1 THR A 12 0.052 1.483 -10.210 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.656 1.039 -8.564 1.00 0.00 C ATOM 0 H THR A 12 -1.532 2.575 -11.500 1.00 0.00 H new ATOM 0 HA THR A 12 -2.046 3.603 -8.730 1.00 0.00 H new ATOM 0 HB THR A 12 0.102 2.255 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.603 1.092 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.154 0.118 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.170 1.466 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.381 0.821 -9.348 1.00 0.00 H new ATOM 316 N ALA A 13 0.634 4.270 -10.565 1.00 0.00 N ATOM 317 CA ALA A 13 1.650 5.328 -10.815 1.00 0.00 C ATOM 318 C ALA A 13 0.968 6.518 -11.423 1.00 0.00 C ATOM 319 O ALA A 13 -0.242 6.557 -11.558 1.00 0.00 O ATOM 320 CB ALA A 13 2.722 4.807 -11.776 1.00 0.00 C ATOM 0 H ALA A 13 0.742 3.427 -11.129 1.00 0.00 H new ATOM 0 HA ALA A 13 2.125 5.609 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.462 5.588 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.211 3.937 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.258 4.525 -12.721 1.00 0.00 H new ATOM 326 N ASP A 14 1.731 7.491 -11.773 1.00 0.00 N ATOM 327 CA ASP A 14 1.166 8.710 -12.363 1.00 0.00 C ATOM 328 C ASP A 14 1.071 8.575 -13.885 1.00 0.00 C ATOM 329 O ASP A 14 0.937 9.561 -14.590 1.00 0.00 O ATOM 330 CB ASP A 14 2.076 9.852 -11.987 1.00 0.00 C ATOM 331 CG ASP A 14 1.327 11.179 -12.113 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.509 11.459 -11.252 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.585 11.893 -13.068 1.00 0.00 O ATOM 0 H ASP A 14 2.746 7.493 -11.673 1.00 0.00 H new ATOM 0 HA ASP A 14 0.157 8.886 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.434 9.722 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.953 9.857 -12.634 1.00 0.00 H new ATOM 338 N ASP A 15 1.132 7.361 -14.405 1.00 0.00 N ATOM 339 CA ASP A 15 1.039 7.176 -15.853 1.00 0.00 C ATOM 340 C ASP A 15 0.408 5.820 -16.188 1.00 0.00 C ATOM 341 O ASP A 15 0.577 5.314 -17.279 1.00 0.00 O ATOM 342 CB ASP A 15 2.436 7.253 -16.450 1.00 0.00 C ATOM 343 CG ASP A 15 2.722 8.685 -16.906 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.885 9.244 -17.596 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.771 9.199 -16.555 1.00 0.00 O ATOM 0 H ASP A 15 1.243 6.503 -13.865 1.00 0.00 H new ATOM 0 HA ASP A 15 0.408 7.959 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.175 6.941 -15.712 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.520 6.568 -17.294 1.00 0.00 H new ATOM 350 N GLU A 16 -0.317 5.228 -15.265 1.00 0.00 N ATOM 351 CA GLU A 16 -0.955 3.890 -15.554 1.00 0.00 C ATOM 352 C GLU A 16 -2.364 4.084 -16.081 1.00 0.00 C ATOM 353 O GLU A 16 -2.776 5.181 -16.409 1.00 0.00 O ATOM 354 CB GLU A 16 -1.006 3.044 -14.285 1.00 0.00 C ATOM 355 CG GLU A 16 0.346 3.080 -13.599 1.00 0.00 C ATOM 356 CD GLU A 16 0.617 1.744 -12.889 1.00 0.00 C ATOM 357 OE1 GLU A 16 -0.335 1.025 -12.619 1.00 0.00 O ATOM 358 OE2 GLU A 16 1.776 1.461 -12.633 1.00 0.00 O ATOM 0 H GLU A 16 -0.496 5.604 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.354 3.379 -16.306 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.777 3.422 -13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.274 2.016 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.129 3.276 -14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.374 3.896 -12.877 1.00 0.00 H new ATOM 365 N LEU A 17 -3.097 3.010 -16.183 1.00 0.00 N ATOM 366 CA LEU A 17 -4.484 3.095 -16.712 1.00 0.00 C ATOM 367 C LEU A 17 -5.433 2.230 -15.875 1.00 0.00 C ATOM 368 O LEU A 17 -5.123 1.112 -15.509 1.00 0.00 O ATOM 369 CB LEU A 17 -4.474 2.615 -18.184 1.00 0.00 C ATOM 370 CG LEU A 17 -5.902 2.543 -18.771 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.387 3.952 -19.150 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.888 1.642 -20.022 1.00 0.00 C ATOM 0 H LEU A 17 -2.792 2.073 -15.921 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.838 4.125 -16.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.868 3.294 -18.784 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.006 1.632 -18.243 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.580 2.127 -18.026 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.394 3.891 -19.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.396 4.585 -18.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.715 4.380 -19.894 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.892 1.586 -20.442 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.207 2.060 -20.764 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.554 0.642 -19.746 1.00 0.00 H new ATOM 384 N SER A 18 -6.597 2.759 -15.586 1.00 0.00 N ATOM 385 CA SER A 18 -7.588 2.042 -14.807 1.00 0.00 C ATOM 386 C SER A 18 -8.506 1.249 -15.742 1.00 0.00 C ATOM 387 O SER A 18 -8.455 1.394 -16.948 1.00 0.00 O ATOM 388 CB SER A 18 -8.401 3.083 -14.083 1.00 0.00 C ATOM 389 OG SER A 18 -8.835 4.067 -15.011 1.00 0.00 O ATOM 0 H SER A 18 -6.887 3.692 -15.880 1.00 0.00 H new ATOM 0 HA SER A 18 -7.114 1.348 -14.113 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.260 2.619 -13.599 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.804 3.546 -13.297 1.00 0.00 H new ATOM 0 HG SER A 18 -9.366 4.745 -14.544 1.00 0.00 H new ATOM 395 N PHE A 19 -9.355 0.425 -15.183 1.00 0.00 N ATOM 396 CA PHE A 19 -10.305 -0.381 -16.011 1.00 0.00 C ATOM 397 C PHE A 19 -11.103 -1.294 -15.085 1.00 0.00 C ATOM 398 O PHE A 19 -10.826 -1.384 -13.911 1.00 0.00 O ATOM 399 CB PHE A 19 -9.539 -1.230 -17.035 1.00 0.00 C ATOM 400 CG PHE A 19 -8.485 -2.041 -16.329 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.833 -3.243 -15.711 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.159 -1.591 -16.296 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.853 -4.001 -15.055 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.180 -2.347 -15.640 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.526 -3.552 -15.020 1.00 0.00 C ATOM 0 H PHE A 19 -9.432 0.274 -14.177 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.974 0.289 -16.551 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.227 -1.890 -17.563 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.077 -0.586 -17.783 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.856 -3.589 -15.738 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.892 -0.661 -16.776 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.121 -4.931 -14.576 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.158 -2.000 -15.613 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.771 -4.136 -14.515 1.00 0.00 H new ATOM 415 N LYS A 20 -12.097 -1.959 -15.605 1.00 0.00 N ATOM 416 CA LYS A 20 -12.928 -2.861 -14.762 1.00 0.00 C ATOM 417 C LYS A 20 -12.777 -4.298 -15.237 1.00 0.00 C ATOM 418 O LYS A 20 -12.123 -4.575 -16.224 1.00 0.00 O ATOM 419 CB LYS A 20 -14.393 -2.453 -14.889 1.00 0.00 C ATOM 420 CG LYS A 20 -14.540 -0.959 -14.581 1.00 0.00 C ATOM 421 CD LYS A 20 -15.336 -0.758 -13.278 1.00 0.00 C ATOM 422 CE LYS A 20 -16.405 0.323 -13.485 1.00 0.00 C ATOM 423 NZ LYS A 20 -17.282 -0.051 -14.634 1.00 0.00 N ATOM 0 H LYS A 20 -12.371 -1.915 -16.587 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.602 -2.784 -13.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.754 -2.664 -15.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.005 -3.038 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.555 -0.501 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.047 -0.459 -15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.806 -1.695 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.663 -0.468 -12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.003 0.435 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.931 1.286 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.267 0.201 -14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.975 0.460 -15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.216 -1.075 -14.802 1.00 0.00 H new ATOM 437 N ARG A 21 -13.393 -5.208 -14.540 1.00 0.00 N ATOM 438 CA ARG A 21 -13.324 -6.635 -14.925 1.00 0.00 C ATOM 439 C ARG A 21 -14.161 -6.855 -16.184 1.00 0.00 C ATOM 440 O ARG A 21 -15.378 -6.840 -16.143 1.00 0.00 O ATOM 441 CB ARG A 21 -13.884 -7.450 -13.783 1.00 0.00 C ATOM 442 CG ARG A 21 -13.781 -8.940 -14.082 1.00 0.00 C ATOM 443 CD ARG A 21 -13.891 -9.702 -12.765 1.00 0.00 C ATOM 444 NE ARG A 21 -14.818 -10.856 -12.931 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.343 -12.061 -13.079 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.765 -12.661 -12.075 1.00 0.00 N ATOM 447 NH2 ARG A 21 -14.443 -12.665 -14.232 1.00 0.00 N ATOM 0 H ARG A 21 -13.949 -5.016 -13.707 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.296 -6.934 -15.130 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.342 -7.220 -12.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.926 -7.179 -13.614 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.574 -9.246 -14.765 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.834 -9.164 -14.572 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.908 -10.054 -12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.255 -9.040 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.826 -10.703 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.685 -12.187 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.393 -13.604 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.893 -12.194 -15.017 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.071 -13.608 -14.348 1.00 0.00 H new ATOM 461 N GLY A 22 -13.515 -7.044 -17.300 1.00 0.00 N ATOM 462 CA GLY A 22 -14.254 -7.250 -18.579 1.00 0.00 C ATOM 463 C GLY A 22 -14.071 -6.022 -19.492 1.00 0.00 C ATOM 464 O GLY A 22 -14.675 -5.934 -20.546 1.00 0.00 O ATOM 0 H GLY A 22 -12.499 -7.065 -17.383 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.888 -8.145 -19.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.313 -7.409 -18.376 1.00 0.00 H new ATOM 468 N ASP A 23 -13.235 -5.075 -19.097 1.00 0.00 N ATOM 469 CA ASP A 23 -13.009 -3.894 -19.914 1.00 0.00 C ATOM 470 C ASP A 23 -11.732 -4.098 -20.701 1.00 0.00 C ATOM 471 O ASP A 23 -10.642 -3.864 -20.206 1.00 0.00 O ATOM 472 CB ASP A 23 -12.865 -2.666 -19.011 1.00 0.00 C ATOM 473 CG ASP A 23 -13.850 -1.575 -19.448 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.141 -1.503 -20.631 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.296 -0.830 -18.591 1.00 0.00 O ATOM 0 H ASP A 23 -12.707 -5.100 -18.225 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.848 -3.738 -20.592 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.053 -2.943 -17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.844 -2.287 -19.059 1.00 0.00 H new ATOM 480 N ILE A 24 -11.853 -4.541 -21.908 1.00 0.00 N ATOM 481 CA ILE A 24 -10.642 -4.777 -22.736 1.00 0.00 C ATOM 482 C ILE A 24 -9.985 -3.433 -23.036 1.00 0.00 C ATOM 483 O ILE A 24 -10.649 -2.433 -23.241 1.00 0.00 O ATOM 484 CB ILE A 24 -11.007 -5.521 -24.032 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.044 -6.642 -23.707 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.717 -6.131 -24.598 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.138 -7.663 -24.850 1.00 0.00 C ATOM 0 H ILE A 24 -12.740 -4.753 -22.365 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.939 -5.406 -22.191 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.450 -4.844 -24.763 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.758 -7.149 -22.786 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.023 -6.196 -23.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.942 -6.667 -25.520 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.000 -5.337 -24.806 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.292 -6.823 -23.871 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.868 -8.430 -24.593 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.449 -7.158 -25.764 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.164 -8.127 -25.005 1.00 0.00 H new ATOM 499 N LEU A 25 -8.680 -3.403 -23.029 1.00 0.00 N ATOM 500 CA LEU A 25 -7.948 -2.131 -23.274 1.00 0.00 C ATOM 501 C LEU A 25 -7.463 -2.083 -24.718 1.00 0.00 C ATOM 502 O LEU A 25 -7.354 -3.106 -25.384 1.00 0.00 O ATOM 503 CB LEU A 25 -6.717 -2.037 -22.333 1.00 0.00 C ATOM 504 CG LEU A 25 -7.080 -2.334 -20.844 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.371 -1.619 -20.438 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.243 -3.843 -20.629 1.00 0.00 C ATOM 0 H LEU A 25 -8.085 -4.215 -22.862 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.624 -1.298 -23.081 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.955 -2.742 -22.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.283 -1.040 -22.406 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.266 -1.963 -20.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.599 -1.844 -19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.244 -0.543 -20.558 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.190 -1.960 -21.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.496 -4.037 -19.587 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.040 -4.218 -21.272 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.309 -4.349 -20.876 1.00 0.00 H new ATOM 518 N LYS A 26 -7.148 -0.902 -25.199 1.00 0.00 N ATOM 519 CA LYS A 26 -6.638 -0.771 -26.607 1.00 0.00 C ATOM 520 C LYS A 26 -5.130 -0.552 -26.542 1.00 0.00 C ATOM 521 O LYS A 26 -4.659 0.555 -26.372 1.00 0.00 O ATOM 522 CB LYS A 26 -7.311 0.422 -27.290 1.00 0.00 C ATOM 523 CG LYS A 26 -8.826 0.199 -27.332 1.00 0.00 C ATOM 524 CD LYS A 26 -9.397 0.805 -28.616 1.00 0.00 C ATOM 525 CE LYS A 26 -9.125 -0.138 -29.789 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.318 0.596 -31.072 1.00 0.00 N ATOM 0 H LYS A 26 -7.221 -0.026 -24.682 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.864 -1.670 -27.180 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.083 1.340 -26.749 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.922 0.543 -28.301 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.048 -0.867 -27.291 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.296 0.657 -26.461 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.469 0.969 -28.508 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.943 1.778 -28.805 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.108 -0.526 -29.729 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.797 -0.995 -29.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.133 -0.045 -31.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.296 0.946 -31.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.660 1.400 -31.114 1.00 0.00 H new ATOM 540 N VAL A 27 -4.365 -1.610 -26.643 1.00 0.00 N ATOM 541 CA VAL A 27 -2.885 -1.486 -26.531 1.00 0.00 C ATOM 542 C VAL A 27 -2.321 -0.441 -27.493 1.00 0.00 C ATOM 543 O VAL A 27 -2.328 -0.608 -28.694 1.00 0.00 O ATOM 544 CB VAL A 27 -2.220 -2.840 -26.792 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.726 -2.739 -26.454 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.869 -3.912 -25.902 1.00 0.00 C ATOM 0 H VAL A 27 -4.707 -2.558 -26.799 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.664 -1.157 -25.516 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.346 -3.113 -27.840 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.246 -3.700 -26.638 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.262 -1.976 -27.079 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.608 -2.469 -25.405 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.395 -4.876 -26.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.741 -3.641 -24.854 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.932 -3.980 -26.131 1.00 0.00 H new ATOM 556 N LEU A 28 -1.785 0.613 -26.944 1.00 0.00 N ATOM 557 CA LEU A 28 -1.155 1.674 -27.766 1.00 0.00 C ATOM 558 C LEU A 28 0.318 1.318 -27.890 1.00 0.00 C ATOM 559 O LEU A 28 0.944 1.540 -28.910 1.00 0.00 O ATOM 560 CB LEU A 28 -1.263 3.044 -27.076 1.00 0.00 C ATOM 561 CG LEU A 28 -2.659 3.255 -26.487 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.563 4.229 -25.312 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.590 3.827 -27.563 1.00 0.00 C ATOM 0 H LEU A 28 -1.759 0.784 -25.939 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.652 1.736 -28.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.516 3.116 -26.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.044 3.835 -27.794 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.061 2.303 -26.140 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.554 4.385 -24.887 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.902 3.816 -24.550 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.164 5.182 -25.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.584 3.977 -27.142 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.197 4.781 -27.914 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.651 3.130 -28.399 1.00 0.00 H new ATOM 575 N ASN A 29 0.874 0.741 -26.840 1.00 0.00 N ATOM 576 CA ASN A 29 2.305 0.340 -26.880 1.00 0.00 C ATOM 577 C ASN A 29 2.389 -1.165 -26.674 1.00 0.00 C ATOM 578 O ASN A 29 1.905 -1.700 -25.670 1.00 0.00 O ATOM 579 CB ASN A 29 3.100 1.048 -25.784 1.00 0.00 C ATOM 580 CG ASN A 29 4.553 1.211 -26.232 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.345 0.297 -26.110 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.941 2.345 -26.748 1.00 0.00 N ATOM 0 H ASN A 29 0.391 0.536 -25.965 1.00 0.00 H new ATOM 0 HA ASN A 29 2.729 0.621 -27.844 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.661 2.024 -25.574 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.056 0.473 -24.859 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.908 2.464 -27.049 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.277 3.112 -26.851 1.00 0.00 H new ATOM 673 N TRP A 36 3.685 -5.473 -17.697 1.00 0.00 N ATOM 674 CA TRP A 36 2.638 -4.404 -17.980 1.00 0.00 C ATOM 675 C TRP A 36 2.835 -3.835 -19.411 1.00 0.00 C ATOM 676 O TRP A 36 3.943 -3.617 -19.858 1.00 0.00 O ATOM 677 CB TRP A 36 2.730 -3.214 -16.976 1.00 0.00 C ATOM 678 CG TRP A 36 2.835 -3.660 -15.527 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.788 -4.488 -15.022 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.006 -3.257 -14.371 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.586 -4.632 -13.660 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.517 -3.894 -13.211 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.872 -2.416 -14.211 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.942 -3.705 -11.949 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.301 -2.230 -12.930 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.839 -2.869 -11.809 1.00 0.00 C ATOM 0 HA TRP A 36 1.663 -4.881 -17.877 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.598 -2.603 -17.225 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.850 -2.581 -17.092 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.576 -4.958 -15.592 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.164 -5.219 -13.059 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.445 -1.918 -15.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.354 -4.207 -11.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.560 -1.588 -12.817 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.399 -2.714 -10.835 1.00 0.00 H new ATOM 697 N TYR A 37 1.748 -3.574 -20.113 1.00 0.00 N ATOM 698 CA TYR A 37 1.831 -2.992 -21.504 1.00 0.00 C ATOM 699 C TYR A 37 1.340 -1.532 -21.454 1.00 0.00 C ATOM 700 O TYR A 37 1.237 -0.964 -20.413 1.00 0.00 O ATOM 701 CB TYR A 37 0.862 -3.733 -22.439 1.00 0.00 C ATOM 702 CG TYR A 37 1.002 -5.229 -22.364 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.260 -5.835 -22.325 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.158 -6.013 -22.379 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.359 -7.232 -22.304 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.069 -7.400 -22.350 1.00 0.00 C ATOM 707 CZ TYR A 37 1.199 -8.020 -22.315 1.00 0.00 C ATOM 708 OH TYR A 37 1.313 -9.405 -22.308 1.00 0.00 O ATOM 0 H TYR A 37 0.799 -3.740 -19.780 1.00 0.00 H new ATOM 0 HA TYR A 37 2.859 -3.074 -21.857 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.161 -3.456 -22.186 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.036 -3.408 -23.465 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.153 -5.228 -22.311 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.127 -5.538 -22.413 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.330 -7.703 -22.279 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.966 -8.001 -22.354 1.00 0.00 H new ATOM 0 HH TYR A 37 2.132 -9.663 -21.836 1.00 0.00 H new ATOM 718 N LYS A 38 0.973 -0.957 -22.594 1.00 0.00 N ATOM 719 CA LYS A 38 0.395 0.423 -22.615 1.00 0.00 C ATOM 720 C LYS A 38 -0.920 0.290 -23.385 1.00 0.00 C ATOM 721 O LYS A 38 -1.002 -0.515 -24.288 1.00 0.00 O ATOM 722 CB LYS A 38 1.322 1.379 -23.347 1.00 0.00 C ATOM 723 CG LYS A 38 1.085 2.800 -22.839 1.00 0.00 C ATOM 724 CD LYS A 38 1.204 3.800 -24.005 1.00 0.00 C ATOM 725 CE LYS A 38 2.415 4.717 -23.784 1.00 0.00 C ATOM 726 NZ LYS A 38 3.169 4.864 -25.062 1.00 0.00 N ATOM 0 H LYS A 38 1.055 -1.398 -23.510 1.00 0.00 H new ATOM 0 HA LYS A 38 0.253 0.817 -21.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.361 1.091 -23.186 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.140 1.329 -24.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.097 2.873 -22.385 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.811 3.044 -22.063 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.311 3.263 -24.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.294 4.396 -24.079 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.085 5.694 -23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.063 4.301 -23.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.684 5.767 -25.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.846 4.080 -25.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.504 4.847 -25.861 1.00 0.00 H new ATOM 740 N ALA A 39 -1.959 1.025 -23.036 1.00 0.00 N ATOM 741 CA ALA A 39 -3.262 0.853 -23.777 1.00 0.00 C ATOM 742 C ALA A 39 -4.210 1.958 -23.484 1.00 0.00 C ATOM 743 O ALA A 39 -3.865 2.938 -22.863 1.00 0.00 O ATOM 744 CB ALA A 39 -3.875 -0.478 -23.401 1.00 0.00 C ATOM 0 H ALA A 39 -1.965 1.720 -22.289 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.056 0.878 -24.847 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.817 -0.608 -23.933 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.191 -1.283 -23.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.059 -0.503 -22.327 1.00 0.00 H new ATOM 750 N GLU A 40 -5.403 1.844 -23.997 1.00 0.00 N ATOM 751 CA GLU A 40 -6.356 2.937 -23.816 1.00 0.00 C ATOM 752 C GLU A 40 -7.820 2.477 -23.860 1.00 0.00 C ATOM 753 O GLU A 40 -8.265 1.777 -24.744 1.00 0.00 O ATOM 754 CB GLU A 40 -6.023 3.988 -24.892 1.00 0.00 C ATOM 755 CG GLU A 40 -7.184 4.235 -25.889 1.00 0.00 C ATOM 756 CD GLU A 40 -6.846 5.412 -26.818 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.923 6.152 -26.507 1.00 0.00 O ATOM 758 OE2 GLU A 40 -7.519 5.553 -27.825 1.00 0.00 O ATOM 0 H GLU A 40 -5.744 1.042 -24.527 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.256 3.365 -22.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.766 4.928 -24.404 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.141 3.665 -25.445 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.363 3.336 -26.479 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.103 4.446 -25.343 1.00 0.00 H new ATOM 765 N LEU A 41 -8.549 2.943 -22.913 1.00 0.00 N ATOM 766 CA LEU A 41 -10.010 2.633 -22.824 1.00 0.00 C ATOM 767 C LEU A 41 -10.839 3.739 -23.379 1.00 0.00 C ATOM 768 O LEU A 41 -11.198 4.686 -22.712 1.00 0.00 O ATOM 769 CB LEU A 41 -10.428 2.360 -21.394 1.00 0.00 C ATOM 770 CG LEU A 41 -10.283 0.892 -21.142 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.190 0.641 -19.636 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.506 0.185 -21.721 1.00 0.00 C ATOM 0 H LEU A 41 -8.199 3.545 -22.167 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.178 1.736 -23.421 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.808 2.929 -20.701 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.459 2.675 -21.232 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.378 0.510 -21.614 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.084 -0.428 -19.451 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.324 1.166 -19.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.095 1.006 -19.150 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.422 -0.888 -21.549 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.407 0.561 -21.236 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.564 0.377 -22.792 1.00 0.00 H new ATOM 784 N ASN A 42 -11.191 3.571 -24.595 1.00 0.00 N ATOM 785 CA ASN A 42 -12.069 4.542 -25.305 1.00 0.00 C ATOM 786 C ASN A 42 -11.718 6.027 -25.025 1.00 0.00 C ATOM 787 O ASN A 42 -12.564 6.895 -25.168 1.00 0.00 O ATOM 788 CB ASN A 42 -13.490 4.298 -24.853 1.00 0.00 C ATOM 789 CG ASN A 42 -14.162 3.272 -25.769 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.142 3.413 -26.976 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.760 2.240 -25.244 1.00 0.00 N ATOM 0 H ASN A 42 -10.903 2.774 -25.163 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.930 4.381 -26.374 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.496 3.938 -23.824 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.050 5.233 -24.867 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.211 1.551 -25.846 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.777 2.121 -24.231 1.00 0.00 H new ATOM 798 N GLY A 43 -10.514 6.326 -24.638 1.00 0.00 N ATOM 799 CA GLY A 43 -10.149 7.759 -24.360 1.00 0.00 C ATOM 800 C GLY A 43 -9.055 7.828 -23.294 1.00 0.00 C ATOM 801 O GLY A 43 -8.150 8.639 -23.379 1.00 0.00 O ATOM 0 H GLY A 43 -9.762 5.651 -24.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.805 8.239 -25.276 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.029 8.308 -24.024 1.00 0.00 H new ATOM 805 N LYS A 44 -9.115 6.970 -22.304 1.00 0.00 N ATOM 806 CA LYS A 44 -8.096 6.956 -21.267 1.00 0.00 C ATOM 807 C LYS A 44 -6.988 6.084 -21.728 1.00 0.00 C ATOM 808 O LYS A 44 -7.103 5.402 -22.725 1.00 0.00 O ATOM 809 CB LYS A 44 -8.665 6.419 -19.977 1.00 0.00 C ATOM 810 CG LYS A 44 -9.226 7.579 -19.162 1.00 0.00 C ATOM 811 CD LYS A 44 -10.495 7.138 -18.434 1.00 0.00 C ATOM 812 CE LYS A 44 -10.149 6.035 -17.441 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.401 5.369 -16.981 1.00 0.00 N ATOM 0 H LYS A 44 -9.852 6.274 -22.189 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.737 7.969 -21.084 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.449 5.691 -20.185 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.891 5.901 -19.411 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.483 7.921 -18.441 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.446 8.422 -19.817 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.942 7.985 -17.913 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.233 6.779 -19.151 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.487 5.306 -17.908 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.613 6.453 -16.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.165 4.616 -16.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.017 6.069 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.895 4.957 -17.798 1.00 0.00 H new ATOM 827 N ASP A 45 -5.909 6.107 -21.034 1.00 0.00 N ATOM 828 CA ASP A 45 -4.768 5.290 -21.434 1.00 0.00 C ATOM 829 C ASP A 45 -3.684 5.205 -20.336 1.00 0.00 C ATOM 830 O ASP A 45 -3.777 5.824 -19.294 1.00 0.00 O ATOM 831 CB ASP A 45 -4.214 5.898 -22.733 1.00 0.00 C ATOM 832 CG ASP A 45 -3.139 6.981 -22.467 1.00 0.00 C ATOM 833 OD1 ASP A 45 -1.988 6.615 -22.300 1.00 0.00 O ATOM 834 OD2 ASP A 45 -3.497 8.146 -22.436 1.00 0.00 O ATOM 0 H ASP A 45 -5.769 6.667 -20.193 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.088 4.260 -21.594 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.784 5.106 -23.347 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.033 6.335 -23.304 1.00 0.00 H new ATOM 839 N GLY A 46 -2.643 4.446 -20.605 1.00 0.00 N ATOM 840 CA GLY A 46 -1.523 4.308 -19.639 1.00 0.00 C ATOM 841 C GLY A 46 -1.102 2.847 -19.499 1.00 0.00 C ATOM 842 O GLY A 46 -1.664 1.960 -20.111 1.00 0.00 O ATOM 0 H GLY A 46 -2.529 3.913 -21.467 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.674 4.905 -19.972 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.825 4.698 -18.667 1.00 0.00 H new ATOM 846 N PHE A 47 -0.088 2.605 -18.708 1.00 0.00 N ATOM 847 CA PHE A 47 0.426 1.222 -18.525 1.00 0.00 C ATOM 848 C PHE A 47 -0.581 0.364 -17.763 1.00 0.00 C ATOM 849 O PHE A 47 -1.236 0.831 -16.855 1.00 0.00 O ATOM 850 CB PHE A 47 1.738 1.284 -17.741 1.00 0.00 C ATOM 851 CG PHE A 47 2.885 1.477 -18.703 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.275 2.770 -19.076 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.554 0.366 -19.226 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.336 2.950 -19.971 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.615 0.545 -20.122 1.00 0.00 C ATOM 856 CZ PHE A 47 5.006 1.836 -20.495 1.00 0.00 C ATOM 0 H PHE A 47 0.409 3.319 -18.176 1.00 0.00 H new ATOM 0 HA PHE A 47 0.589 0.772 -19.504 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.708 2.104 -17.024 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.878 0.366 -17.170 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.757 3.628 -18.673 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.252 -0.630 -18.939 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.638 3.946 -20.258 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.132 -0.313 -20.525 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.824 1.974 -21.187 1.00 0.00 H new ATOM 866 N ILE A 48 -0.706 -0.904 -18.119 1.00 0.00 N ATOM 867 CA ILE A 48 -1.663 -1.783 -17.406 1.00 0.00 C ATOM 868 C ILE A 48 -0.957 -3.111 -17.047 1.00 0.00 C ATOM 869 O ILE A 48 -0.273 -3.666 -17.871 1.00 0.00 O ATOM 870 CB ILE A 48 -2.861 -2.071 -18.319 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.358 -2.601 -19.676 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.655 -0.783 -18.533 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.547 -2.913 -20.596 1.00 0.00 C ATOM 0 H ILE A 48 -0.182 -1.352 -18.871 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.009 -1.294 -16.496 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.502 -2.820 -17.855 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.709 -1.862 -20.146 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.760 -3.500 -19.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.507 -0.985 -19.182 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.010 -0.411 -17.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.014 -0.034 -18.998 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.179 -3.287 -21.552 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.179 -3.669 -20.130 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.128 -2.005 -20.760 1.00 0.00 H new ATOM 885 N PRO A 49 -1.148 -3.605 -15.829 1.00 0.00 N ATOM 886 CA PRO A 49 -0.531 -4.866 -15.417 1.00 0.00 C ATOM 887 C PRO A 49 -1.172 -6.037 -16.143 1.00 0.00 C ATOM 888 O PRO A 49 -2.242 -6.456 -15.825 1.00 0.00 O ATOM 889 CB PRO A 49 -0.783 -4.949 -13.913 1.00 0.00 C ATOM 890 CG PRO A 49 -1.980 -4.001 -13.630 1.00 0.00 C ATOM 891 CD PRO A 49 -1.984 -2.976 -14.790 1.00 0.00 C ATOM 0 HA PRO A 49 0.532 -4.905 -15.655 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.014 -5.971 -13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.099 -4.642 -13.351 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.918 -4.555 -13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.866 -3.503 -12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.995 -2.787 -15.152 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.574 -2.016 -14.475 1.00 0.00 H new ATOM 899 N LYS A 50 -0.499 -6.540 -17.125 1.00 0.00 N ATOM 900 CA LYS A 50 -0.994 -7.696 -17.934 1.00 0.00 C ATOM 901 C LYS A 50 -1.515 -8.861 -17.030 1.00 0.00 C ATOM 902 O LYS A 50 -2.255 -9.698 -17.492 1.00 0.00 O ATOM 903 CB LYS A 50 0.194 -8.168 -18.797 1.00 0.00 C ATOM 904 CG LYS A 50 -0.072 -9.543 -19.430 1.00 0.00 C ATOM 905 CD LYS A 50 0.778 -10.596 -18.706 1.00 0.00 C ATOM 906 CE LYS A 50 1.002 -11.797 -19.629 1.00 0.00 C ATOM 907 NZ LYS A 50 2.044 -12.688 -19.042 1.00 0.00 N ATOM 0 H LYS A 50 0.412 -6.189 -17.419 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.840 -7.390 -18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.386 -7.437 -19.583 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.093 -8.218 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.130 -9.795 -19.354 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.175 -9.524 -20.491 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.736 -10.166 -18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.278 -10.915 -17.791 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.070 -12.347 -19.760 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.313 -11.457 -20.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.196 -13.504 -19.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.934 -12.160 -18.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.729 -13.022 -18.109 1.00 0.00 H new ATOM 921 N ASN A 51 -1.123 -8.937 -15.773 1.00 0.00 N ATOM 922 CA ASN A 51 -1.593 -10.032 -14.901 1.00 0.00 C ATOM 923 C ASN A 51 -3.120 -10.009 -14.789 1.00 0.00 C ATOM 924 O ASN A 51 -3.766 -11.037 -14.709 1.00 0.00 O ATOM 925 CB ASN A 51 -0.959 -9.862 -13.561 1.00 0.00 C ATOM 926 CG ASN A 51 0.372 -10.616 -13.508 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.268 -10.346 -14.282 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.541 -11.557 -12.619 1.00 0.00 N ATOM 0 H ASN A 51 -0.491 -8.273 -15.325 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.311 -10.997 -15.323 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.794 -8.803 -13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.627 -10.234 -12.784 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.425 -12.064 -12.575 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.211 -11.785 -11.968 1.00 0.00 H new ATOM 935 N TYR A 52 -3.693 -8.844 -14.837 1.00 0.00 N ATOM 936 CA TYR A 52 -5.175 -8.705 -14.797 1.00 0.00 C ATOM 937 C TYR A 52 -5.624 -8.519 -16.221 1.00 0.00 C ATOM 938 O TYR A 52 -6.520 -7.736 -16.507 1.00 0.00 O ATOM 939 CB TYR A 52 -5.563 -7.430 -14.021 1.00 0.00 C ATOM 940 CG TYR A 52 -5.435 -7.564 -12.555 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.386 -8.268 -11.962 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.372 -6.919 -11.778 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.296 -8.316 -10.582 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.294 -6.963 -10.415 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.253 -7.662 -9.795 1.00 0.00 C ATOM 946 OH TYR A 52 -5.172 -7.708 -8.419 1.00 0.00 O ATOM 0 H TYR A 52 -3.187 -7.961 -14.904 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.627 -9.575 -14.320 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.935 -6.605 -14.358 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.592 -7.167 -14.264 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.652 -8.770 -12.574 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.175 -6.374 -12.251 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.488 -8.857 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.037 -6.458 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.915 -7.200 -8.030 1.00 0.00 H new ATOM 956 N ILE A 53 -4.967 -9.177 -17.144 1.00 0.00 N ATOM 957 CA ILE A 53 -5.305 -8.987 -18.552 1.00 0.00 C ATOM 958 C ILE A 53 -4.808 -10.153 -19.413 1.00 0.00 C ATOM 959 O ILE A 53 -4.056 -11.006 -18.984 1.00 0.00 O ATOM 960 CB ILE A 53 -4.635 -7.711 -19.109 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.340 -6.673 -18.018 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.530 -7.067 -20.151 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.504 -5.554 -18.607 1.00 0.00 C ATOM 0 H ILE A 53 -4.210 -9.837 -16.963 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.392 -8.915 -18.598 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.688 -8.025 -19.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.272 -6.274 -17.617 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.810 -7.141 -17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.050 -6.168 -20.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.700 -7.768 -20.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.484 -6.801 -19.697 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.292 -4.814 -17.836 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.567 -5.961 -18.987 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.051 -5.081 -19.423 1.00 0.00 H new ATOM 975 N GLU A 54 -5.181 -10.113 -20.652 1.00 0.00 N ATOM 976 CA GLU A 54 -4.738 -11.091 -21.638 1.00 0.00 C ATOM 977 C GLU A 54 -4.695 -10.347 -22.970 1.00 0.00 C ATOM 978 O GLU A 54 -5.308 -9.311 -23.106 1.00 0.00 O ATOM 979 CB GLU A 54 -5.691 -12.264 -21.705 1.00 0.00 C ATOM 980 CG GLU A 54 -4.993 -13.531 -21.194 1.00 0.00 C ATOM 981 CD GLU A 54 -5.589 -14.759 -21.884 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.792 -14.939 -21.794 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.832 -15.499 -22.491 1.00 0.00 O ATOM 0 H GLU A 54 -5.807 -9.401 -21.028 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.763 -11.503 -21.379 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.577 -12.059 -21.105 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.028 -12.412 -22.731 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.923 -13.474 -21.392 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.113 -13.614 -20.114 1.00 0.00 H new ATOM 990 N MET A 55 -3.970 -10.829 -23.928 1.00 0.00 N ATOM 991 CA MET A 55 -3.864 -10.062 -25.235 1.00 0.00 C ATOM 992 C MET A 55 -4.708 -10.666 -26.350 1.00 0.00 C ATOM 993 O MET A 55 -4.432 -11.737 -26.856 1.00 0.00 O ATOM 994 CB MET A 55 -2.393 -9.969 -25.709 1.00 0.00 C ATOM 995 CG MET A 55 -1.615 -11.226 -25.324 1.00 0.00 C ATOM 996 SD MET A 55 0.027 -11.181 -26.083 1.00 0.00 S ATOM 997 CE MET A 55 -0.294 -12.396 -27.384 1.00 0.00 C ATOM 0 H MET A 55 -3.446 -11.703 -23.887 1.00 0.00 H new ATOM 0 HA MET A 55 -4.251 -9.065 -25.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.363 -9.835 -26.790 1.00 0.00 H new ATOM 0 HB3 MET A 55 -1.919 -9.093 -25.266 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.524 -11.291 -24.240 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.154 -12.114 -25.653 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.604 -12.528 -27.988 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.571 -13.348 -26.932 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.108 -12.044 -28.017 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.722 -9.942 -26.756 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.583 -10.375 -27.842 1.00 0.00 C ATOM 1009 C LYS A 56 -6.162 -9.688 -29.142 1.00 0.00 C ATOM 1010 O LYS A 56 -5.536 -8.634 -29.112 1.00 0.00 O ATOM 1011 CB LYS A 56 -7.999 -10.002 -27.505 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.655 -11.147 -26.750 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.921 -10.650 -26.030 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.917 -10.071 -27.045 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.406 -11.157 -27.943 1.00 0.00 N ATOM 0 H LYS A 56 -5.977 -9.042 -26.350 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.503 -11.454 -27.974 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.014 -9.096 -26.899 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.557 -9.785 -28.416 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.912 -11.949 -27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.955 -11.563 -26.026 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.384 -11.472 -25.484 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.655 -9.889 -25.296 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.757 -9.611 -26.524 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.439 -9.287 -27.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.242 -10.826 -28.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.657 -11.414 -28.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.661 -11.989 -27.374 1.00 0.00 H new