USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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 35 THR OG1 : rot 180:sc= 0.0206 USER MOD Set 1.2: A 38 SER OG : rot 80:sc= 0.36 USER MOD Single : A 16 ASN : amide:sc= -0.966 K(o=-0.97,f=-3.4!) USER MOD Single : A 17 MET CE :methyl -176:sc= -3.63! (180deg=-3.74!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.304 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 6:sc= 0.364 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0033) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -147:sc= -0.502 (180deg=-3.19!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -109:sc= -1.72! (180deg=-3.93!) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -120:sc= 0.129 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 105 THR OG1 : rot 3:sc= -1.73 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.285) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.744 1.101 13.296 1.00 0.00 N ATOM 161 CA LEU A 13 3.942 0.074 12.287 1.00 0.00 C ATOM 162 C LEU A 13 5.440 -0.101 12.031 1.00 0.00 C ATOM 163 O LEU A 13 5.953 -1.219 12.063 1.00 0.00 O ATOM 164 CB LEU A 13 3.137 0.398 11.027 1.00 0.00 C ATOM 165 CG LEU A 13 1.627 0.554 11.218 1.00 0.00 C ATOM 166 CD1 LEU A 13 1.066 1.633 10.290 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.910 -0.785 11.039 1.00 0.00 C ATOM 0 HA LEU A 13 3.564 -0.885 12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.526 1.321 10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.311 -0.391 10.296 1.00 0.00 H new ATOM 0 HG LEU A 13 1.444 0.882 12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.009 1.724 10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.546 2.587 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.260 1.358 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.162 -0.646 11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.097 -1.167 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.283 -1.498 11.774 1.00 0.00 H new ATOM 179 N PHE A 14 6.101 1.020 11.783 1.00 0.00 N ATOM 180 CA PHE A 14 7.530 1.005 11.522 1.00 0.00 C ATOM 181 C PHE A 14 8.327 1.113 12.824 1.00 0.00 C ATOM 182 O PHE A 14 9.221 1.949 12.941 1.00 0.00 O ATOM 183 CB PHE A 14 7.838 2.222 10.647 1.00 0.00 C ATOM 184 CG PHE A 14 6.863 2.415 9.484 1.00 0.00 C ATOM 185 CD1 PHE A 14 7.065 1.757 8.311 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.795 3.245 9.623 1.00 0.00 C ATOM 187 CE1 PHE A 14 6.160 1.936 7.232 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.890 3.424 8.544 1.00 0.00 C ATOM 189 CZ PHE A 14 5.091 2.766 7.371 1.00 0.00 C ATOM 0 H PHE A 14 5.673 1.945 11.757 1.00 0.00 H new ATOM 0 HA PHE A 14 7.809 0.071 11.033 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.826 3.117 11.270 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.848 2.124 10.249 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.914 1.098 8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.635 3.768 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.320 1.413 6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.042 4.083 8.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.402 2.902 6.550 1.00 0.00 H new ATOM 199 N GLU A 15 7.973 0.254 13.769 1.00 0.00 N ATOM 200 CA GLU A 15 8.644 0.242 15.058 1.00 0.00 C ATOM 201 C GLU A 15 9.926 -0.590 14.982 1.00 0.00 C ATOM 202 O GLU A 15 11.002 -0.113 15.339 1.00 0.00 O ATOM 203 CB GLU A 15 7.715 -0.281 16.155 1.00 0.00 C ATOM 204 CG GLU A 15 7.074 0.873 16.928 1.00 0.00 C ATOM 205 CD GLU A 15 7.474 0.833 18.404 1.00 0.00 C ATOM 206 OE1 GLU A 15 7.090 -0.153 19.070 1.00 0.00 O ATOM 207 OE2 GLU A 15 8.156 1.789 18.834 1.00 0.00 O ATOM 0 H GLU A 15 7.231 -0.438 13.668 1.00 0.00 H new ATOM 0 HA GLU A 15 8.914 1.266 15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.937 -0.903 15.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.277 -0.915 16.841 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.380 1.823 16.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.989 0.816 16.840 1.00 0.00 H new ATOM 214 N ASN A 16 9.768 -1.819 14.514 1.00 0.00 N ATOM 215 CA ASN A 16 10.900 -2.722 14.386 1.00 0.00 C ATOM 216 C ASN A 16 11.416 -2.685 12.946 1.00 0.00 C ATOM 217 O ASN A 16 12.178 -3.558 12.534 1.00 0.00 O ATOM 218 CB ASN A 16 10.494 -4.162 14.706 1.00 0.00 C ATOM 219 CG ASN A 16 9.593 -4.735 13.610 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.380 -4.618 13.644 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.253 -5.359 12.639 1.00 0.00 N ATOM 0 H ASN A 16 8.874 -2.211 14.219 1.00 0.00 H new ATOM 0 HA ASN A 16 11.670 -2.400 15.087 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.386 -4.781 14.809 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.973 -4.192 15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.742 -5.776 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.271 -5.421 12.672 1.00 0.00 H new ATOM 228 N MET A 17 10.980 -1.666 12.221 1.00 0.00 N ATOM 229 CA MET A 17 11.388 -1.504 10.836 1.00 0.00 C ATOM 230 C MET A 17 12.492 -0.453 10.709 1.00 0.00 C ATOM 231 O MET A 17 12.429 0.598 11.344 1.00 0.00 O ATOM 232 CB MET A 17 10.182 -1.083 9.993 1.00 0.00 C ATOM 233 CG MET A 17 9.163 -2.220 9.888 1.00 0.00 C ATOM 234 SD MET A 17 7.669 -1.630 9.111 1.00 0.00 S ATOM 235 CE MET A 17 8.159 -1.709 7.396 1.00 0.00 C ATOM 0 H MET A 17 10.348 -0.944 12.567 1.00 0.00 H new ATOM 0 HA MET A 17 11.777 -2.457 10.478 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.710 -0.207 10.438 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.514 -0.794 8.996 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.583 -3.043 9.310 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.937 -2.610 10.881 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.362 -1.306 6.771 1.00 0.00 H new ATOM 0 HE2 MET A 17 9.067 -1.124 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.348 -2.746 7.119 1.00 0.00 H new ATOM 245 N ASP A 18 13.478 -0.773 9.883 1.00 0.00 N ATOM 246 CA ASP A 18 14.594 0.132 9.665 1.00 0.00 C ATOM 247 C ASP A 18 14.183 1.208 8.658 1.00 0.00 C ATOM 248 O ASP A 18 13.250 1.013 7.881 1.00 0.00 O ATOM 249 CB ASP A 18 15.803 -0.613 9.094 1.00 0.00 C ATOM 250 CG ASP A 18 16.229 -1.853 9.882 1.00 0.00 C ATOM 251 OD1 ASP A 18 15.549 -2.889 9.722 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.226 -1.736 10.628 1.00 0.00 O ATOM 0 H ASP A 18 13.527 -1.646 9.357 1.00 0.00 H new ATOM 0 HA ASP A 18 14.863 0.574 10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.577 -0.911 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.646 0.076 9.046 1.00 0.00 H new ATOM 257 N GLU A 19 14.901 2.321 8.705 1.00 0.00 N ATOM 258 CA GLU A 19 14.623 3.429 7.807 1.00 0.00 C ATOM 259 C GLU A 19 14.699 2.964 6.351 1.00 0.00 C ATOM 260 O GLU A 19 13.810 3.259 5.554 1.00 0.00 O ATOM 261 CB GLU A 19 15.580 4.595 8.061 1.00 0.00 C ATOM 262 CG GLU A 19 14.961 5.614 9.018 1.00 0.00 C ATOM 263 CD GLU A 19 16.009 6.162 9.989 1.00 0.00 C ATOM 264 OE1 GLU A 19 16.210 5.508 11.035 1.00 0.00 O ATOM 265 OE2 GLU A 19 16.585 7.223 9.664 1.00 0.00 O ATOM 0 H GLU A 19 15.675 2.479 9.351 1.00 0.00 H new ATOM 0 HA GLU A 19 13.611 3.784 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.514 4.219 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.826 5.081 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.524 6.434 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.151 5.147 9.578 1.00 0.00 H new ATOM 272 N ARG A 20 15.769 2.244 6.049 1.00 0.00 N ATOM 273 CA ARG A 20 15.973 1.735 4.703 1.00 0.00 C ATOM 274 C ARG A 20 14.712 1.024 4.207 1.00 0.00 C ATOM 275 O ARG A 20 14.476 0.940 3.003 1.00 0.00 O ATOM 276 CB ARG A 20 17.152 0.760 4.655 1.00 0.00 C ATOM 277 CG ARG A 20 18.447 1.445 5.096 1.00 0.00 C ATOM 278 CD ARG A 20 19.159 2.090 3.905 1.00 0.00 C ATOM 279 NE ARG A 20 20.445 1.403 3.650 1.00 0.00 N ATOM 280 CZ ARG A 20 21.080 1.411 2.471 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.553 2.071 1.431 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.243 0.760 2.332 1.00 0.00 N ATOM 0 H ARG A 20 16.504 2.001 6.713 1.00 0.00 H new ATOM 0 HA ARG A 20 16.193 2.585 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.949 -0.094 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.268 0.373 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.224 2.204 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.106 0.716 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.526 2.035 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.335 3.147 4.105 1.00 0.00 H new ATOM 0 HE ARG A 20 20.875 0.891 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.668 2.567 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.037 2.077 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.645 0.258 3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.727 0.766 1.434 1.00 0.00 H new ATOM 296 N LEU A 21 13.936 0.532 5.161 1.00 0.00 N ATOM 297 CA LEU A 21 12.705 -0.169 4.837 1.00 0.00 C ATOM 298 C LEU A 21 11.615 0.852 4.503 1.00 0.00 C ATOM 299 O LEU A 21 10.768 0.604 3.646 1.00 0.00 O ATOM 300 CB LEU A 21 12.323 -1.131 5.963 1.00 0.00 C ATOM 301 CG LEU A 21 11.735 -2.474 5.528 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.709 -3.232 4.623 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.313 -3.307 6.740 1.00 0.00 C ATOM 0 H LEU A 21 14.136 0.605 6.159 1.00 0.00 H new ATOM 0 HA LEU A 21 12.842 -0.791 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.210 -1.324 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.600 -0.633 6.610 1.00 0.00 H new ATOM 0 HG LEU A 21 10.836 -2.279 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.266 -4.183 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.917 -2.637 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.638 -3.416 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.898 -4.257 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.181 -3.494 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.559 -2.764 7.310 1.00 0.00 H new ATOM 315 N LEU A 22 11.672 1.979 5.198 1.00 0.00 N ATOM 316 CA LEU A 22 10.700 3.038 4.986 1.00 0.00 C ATOM 317 C LEU A 22 10.762 3.498 3.528 1.00 0.00 C ATOM 318 O LEU A 22 9.741 3.542 2.843 1.00 0.00 O ATOM 319 CB LEU A 22 10.910 4.168 5.997 1.00 0.00 C ATOM 320 CG LEU A 22 10.227 3.989 7.354 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.763 4.426 7.294 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.376 2.551 7.857 1.00 0.00 C ATOM 0 H LEU A 22 12.376 2.182 5.908 1.00 0.00 H new ATOM 0 HA LEU A 22 9.690 2.668 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.981 4.285 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.553 5.097 5.553 1.00 0.00 H new ATOM 0 HG LEU A 22 10.726 4.636 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.302 4.288 8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.708 5.477 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.234 3.824 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.882 2.450 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.919 1.866 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.434 2.311 7.964 1.00 0.00 H new ATOM 334 N ASP A 23 11.970 3.828 3.097 1.00 0.00 N ATOM 335 CA ASP A 23 12.179 4.283 1.732 1.00 0.00 C ATOM 336 C ASP A 23 11.834 3.150 0.763 1.00 0.00 C ATOM 337 O ASP A 23 11.029 3.333 -0.149 1.00 0.00 O ATOM 338 CB ASP A 23 13.639 4.675 1.500 1.00 0.00 C ATOM 339 CG ASP A 23 13.854 5.789 0.473 1.00 0.00 C ATOM 340 OD1 ASP A 23 12.959 6.657 0.382 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.908 5.747 -0.197 1.00 0.00 O ATOM 0 H ASP A 23 12.814 3.790 3.668 1.00 0.00 H new ATOM 0 HA ASP A 23 11.541 5.151 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.071 4.989 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.190 3.792 1.176 1.00 0.00 H new ATOM 346 N ALA A 24 12.460 2.006 0.994 1.00 0.00 N ATOM 347 CA ALA A 24 12.229 0.843 0.153 1.00 0.00 C ATOM 348 C ALA A 24 10.723 0.639 -0.025 1.00 0.00 C ATOM 349 O ALA A 24 10.238 0.522 -1.149 1.00 0.00 O ATOM 350 CB ALA A 24 12.914 -0.378 0.770 1.00 0.00 C ATOM 0 H ALA A 24 13.127 1.859 1.751 1.00 0.00 H new ATOM 0 HA ALA A 24 12.661 0.993 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.741 -1.250 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.985 -0.194 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.505 -0.562 1.763 1.00 0.00 H new ATOM 356 N ILE A 25 10.026 0.603 1.101 1.00 0.00 N ATOM 357 CA ILE A 25 8.585 0.415 1.084 1.00 0.00 C ATOM 358 C ILE A 25 7.922 1.647 0.466 1.00 0.00 C ATOM 359 O ILE A 25 6.864 1.542 -0.154 1.00 0.00 O ATOM 360 CB ILE A 25 8.072 0.078 2.485 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.540 -1.312 2.921 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.550 0.220 2.561 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.430 -1.477 4.438 1.00 0.00 C ATOM 0 H ILE A 25 10.432 0.701 2.031 1.00 0.00 H new ATOM 0 HA ILE A 25 8.319 -0.438 0.459 1.00 0.00 H new ATOM 0 HB ILE A 25 8.498 0.796 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.940 -2.074 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.573 -1.466 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.211 -0.025 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.268 1.246 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.085 -0.459 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.769 -2.474 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.051 -0.729 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.392 -1.346 4.744 1.00 0.00 H new ATOM 375 N CYS A 26 8.570 2.787 0.656 1.00 0.00 N ATOM 376 CA CYS A 26 8.057 4.038 0.124 1.00 0.00 C ATOM 377 C CYS A 26 8.138 3.981 -1.402 1.00 0.00 C ATOM 378 O CYS A 26 7.113 3.963 -2.082 1.00 0.00 O ATOM 379 CB CYS A 26 8.808 5.244 0.692 1.00 0.00 C ATOM 380 SG CYS A 26 8.041 6.795 0.096 1.00 0.00 S ATOM 0 H CYS A 26 9.446 2.870 1.171 1.00 0.00 H new ATOM 0 HA CYS A 26 7.017 4.166 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.789 5.214 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.855 5.207 0.390 1.00 0.00 H new ATOM 0 HG CYS A 26 8.684 7.813 0.585 1.00 0.00 H new ATOM 386 N GLU A 27 9.367 3.955 -1.897 1.00 0.00 N ATOM 387 CA GLU A 27 9.596 3.901 -3.331 1.00 0.00 C ATOM 388 C GLU A 27 8.659 2.880 -3.979 1.00 0.00 C ATOM 389 O GLU A 27 8.302 3.015 -5.149 1.00 0.00 O ATOM 390 CB GLU A 27 11.059 3.577 -3.641 1.00 0.00 C ATOM 391 CG GLU A 27 11.824 4.837 -4.050 1.00 0.00 C ATOM 392 CD GLU A 27 12.688 4.576 -5.286 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.305 3.490 -5.328 1.00 0.00 O ATOM 394 OE2 GLU A 27 12.713 5.469 -6.160 1.00 0.00 O ATOM 0 H GLU A 27 10.215 3.970 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 27 9.379 4.883 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.530 3.129 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.110 2.840 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.120 5.643 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.454 5.168 -3.225 1.00 0.00 H new ATOM 401 N ARG A 28 8.288 1.881 -3.192 1.00 0.00 N ATOM 402 CA ARG A 28 7.399 0.838 -3.675 1.00 0.00 C ATOM 403 C ARG A 28 6.002 1.407 -3.931 1.00 0.00 C ATOM 404 O ARG A 28 5.370 1.083 -4.936 1.00 0.00 O ATOM 405 CB ARG A 28 7.298 -0.309 -2.668 1.00 0.00 C ATOM 406 CG ARG A 28 8.321 -1.404 -2.980 1.00 0.00 C ATOM 407 CD ARG A 28 7.885 -2.232 -4.191 1.00 0.00 C ATOM 408 NE ARG A 28 9.032 -2.435 -5.104 1.00 0.00 N ATOM 409 CZ ARG A 28 10.081 -3.222 -4.829 1.00 0.00 C ATOM 410 NH1 ARG A 28 10.134 -3.884 -3.665 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.077 -3.347 -5.717 1.00 0.00 N ATOM 0 H ARG A 28 8.587 1.772 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 28 7.815 0.454 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.463 0.072 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.292 -0.729 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.294 -0.953 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.439 -2.055 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.496 -3.196 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.076 -1.725 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 28 9.023 -1.945 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.376 -3.789 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.932 -4.483 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.037 -2.843 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.875 -3.946 -5.507 1.00 0.00 H new ATOM 425 N LEU A 29 5.561 2.245 -3.005 1.00 0.00 N ATOM 426 CA LEU A 29 4.250 2.863 -3.117 1.00 0.00 C ATOM 427 C LEU A 29 3.994 3.242 -4.577 1.00 0.00 C ATOM 428 O LEU A 29 4.721 4.052 -5.149 1.00 0.00 O ATOM 429 CB LEU A 29 4.126 4.038 -2.146 1.00 0.00 C ATOM 430 CG LEU A 29 4.355 3.714 -0.668 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.733 4.971 0.117 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.140 3.006 -0.067 1.00 0.00 C ATOM 0 H LEU A 29 6.088 2.511 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 29 3.470 2.158 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.839 4.806 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.130 4.469 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 29 5.197 3.025 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.890 4.713 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.650 5.395 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.929 5.703 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.329 2.787 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.265 3.650 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.959 2.075 -0.604 1.00 0.00 H new ATOM 444 N LYS A 30 2.956 2.638 -5.139 1.00 0.00 N ATOM 445 CA LYS A 30 2.595 2.903 -6.521 1.00 0.00 C ATOM 446 C LYS A 30 1.528 3.999 -6.564 1.00 0.00 C ATOM 447 O LYS A 30 0.756 4.156 -5.619 1.00 0.00 O ATOM 448 CB LYS A 30 2.176 1.609 -7.222 1.00 0.00 C ATOM 449 CG LYS A 30 3.360 0.973 -7.953 1.00 0.00 C ATOM 450 CD LYS A 30 2.925 0.391 -9.299 1.00 0.00 C ATOM 451 CE LYS A 30 4.000 0.613 -10.365 1.00 0.00 C ATOM 452 NZ LYS A 30 3.418 1.261 -11.562 1.00 0.00 N ATOM 0 H LYS A 30 2.354 1.967 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 30 3.457 3.275 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.777 0.907 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.376 1.818 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.138 1.720 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.793 0.186 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.729 -0.676 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.992 0.856 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.799 1.234 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.448 -0.341 -10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.161 1.404 -12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.671 0.654 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.012 2.181 -11.296 1.00 0.00 H new ATOM 466 N PRO A 31 1.519 4.748 -7.699 1.00 0.00 N ATOM 467 CA PRO A 31 0.560 5.825 -7.877 1.00 0.00 C ATOM 468 C PRO A 31 -0.832 5.273 -8.190 1.00 0.00 C ATOM 469 O PRO A 31 -1.067 4.751 -9.279 1.00 0.00 O ATOM 470 CB PRO A 31 1.128 6.675 -9.002 1.00 0.00 C ATOM 471 CG PRO A 31 2.136 5.795 -9.722 1.00 0.00 C ATOM 472 CD PRO A 31 2.419 4.591 -8.838 1.00 0.00 C ATOM 0 HA PRO A 31 0.424 6.421 -6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.340 7.002 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.604 7.574 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.743 5.476 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.054 6.348 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.229 3.657 -9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.461 4.570 -8.519 1.00 0.00 H new ATOM 480 N CYS A 32 -1.719 5.406 -7.214 1.00 0.00 N ATOM 481 CA CYS A 32 -3.082 4.927 -7.372 1.00 0.00 C ATOM 482 C CYS A 32 -4.024 5.929 -6.700 1.00 0.00 C ATOM 483 O CYS A 32 -3.588 6.754 -5.899 1.00 0.00 O ATOM 484 CB CYS A 32 -3.254 3.516 -6.807 1.00 0.00 C ATOM 485 SG CYS A 32 -2.371 2.308 -7.861 1.00 0.00 S ATOM 0 H CYS A 32 -1.520 5.838 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.325 4.856 -8.432 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.868 3.473 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.313 3.262 -6.757 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.700 2.941 -8.777 1.00 0.00 H new ATOM 491 N LEU A 33 -5.297 5.824 -7.052 1.00 0.00 N ATOM 492 CA LEU A 33 -6.303 6.710 -6.494 1.00 0.00 C ATOM 493 C LEU A 33 -7.601 5.928 -6.276 1.00 0.00 C ATOM 494 O LEU A 33 -7.893 4.987 -7.012 1.00 0.00 O ATOM 495 CB LEU A 33 -6.473 7.950 -7.374 1.00 0.00 C ATOM 496 CG LEU A 33 -7.511 8.971 -6.902 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.833 10.233 -6.365 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.514 9.286 -8.013 1.00 0.00 C ATOM 0 H LEU A 33 -5.654 5.138 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.986 7.080 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.508 8.451 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.744 7.624 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.073 8.532 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.593 10.942 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.192 9.971 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.231 10.686 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.241 10.014 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.986 9.697 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.031 8.372 -8.306 1.00 0.00 H new ATOM 510 N PHE A 34 -8.343 6.348 -5.262 1.00 0.00 N ATOM 511 CA PHE A 34 -9.602 5.699 -4.938 1.00 0.00 C ATOM 512 C PHE A 34 -10.777 6.665 -5.108 1.00 0.00 C ATOM 513 O PHE A 34 -10.712 7.810 -4.664 1.00 0.00 O ATOM 514 CB PHE A 34 -9.520 5.268 -3.473 1.00 0.00 C ATOM 515 CG PHE A 34 -8.761 3.958 -3.251 1.00 0.00 C ATOM 516 CD1 PHE A 34 -9.078 2.856 -3.984 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.770 3.894 -2.322 1.00 0.00 C ATOM 518 CE1 PHE A 34 -8.374 1.640 -3.778 1.00 0.00 C ATOM 519 CE2 PHE A 34 -7.066 2.678 -2.116 1.00 0.00 C ATOM 520 CZ PHE A 34 -7.383 1.577 -2.849 1.00 0.00 C ATOM 0 H PHE A 34 -8.097 7.129 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.764 4.851 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.036 6.058 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.531 5.162 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.865 2.906 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.518 4.769 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.626 0.765 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.279 2.627 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.847 0.652 -2.693 1.00 0.00 H new ATOM 530 N THR A 35 -11.823 6.167 -5.752 1.00 0.00 N ATOM 531 CA THR A 35 -13.010 6.972 -5.985 1.00 0.00 C ATOM 532 C THR A 35 -14.208 6.383 -5.239 1.00 0.00 C ATOM 533 O THR A 35 -14.049 5.493 -4.405 1.00 0.00 O ATOM 534 CB THR A 35 -13.224 7.070 -7.497 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.803 5.801 -7.991 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.269 8.064 -8.161 1.00 0.00 C ATOM 0 H THR A 35 -11.873 5.217 -6.119 1.00 0.00 H new ATOM 0 HA THR A 35 -12.887 7.982 -5.593 1.00 0.00 H new ATOM 0 HB THR A 35 -14.253 7.366 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.910 5.777 -8.965 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.463 8.095 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.423 9.056 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.239 7.751 -7.988 1.00 0.00 H new ATOM 544 N GLU A 36 -15.382 6.904 -5.565 1.00 0.00 N ATOM 545 CA GLU A 36 -16.607 6.442 -4.936 1.00 0.00 C ATOM 546 C GLU A 36 -16.874 4.981 -5.303 1.00 0.00 C ATOM 547 O GLU A 36 -16.634 4.568 -6.437 1.00 0.00 O ATOM 548 CB GLU A 36 -17.792 7.329 -5.323 1.00 0.00 C ATOM 549 CG GLU A 36 -18.360 6.922 -6.684 1.00 0.00 C ATOM 550 CD GLU A 36 -19.358 7.963 -7.195 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.212 8.378 -6.382 1.00 0.00 O ATOM 552 OE2 GLU A 36 -19.245 8.320 -8.387 1.00 0.00 O ATOM 0 H GLU A 36 -15.510 7.642 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.484 6.509 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.570 7.254 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.476 8.372 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.548 6.809 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.851 5.952 -6.602 1.00 0.00 H new ATOM 559 N LYS A 37 -17.366 4.238 -4.323 1.00 0.00 N ATOM 560 CA LYS A 37 -17.668 2.831 -4.529 1.00 0.00 C ATOM 561 C LYS A 37 -16.362 2.055 -4.710 1.00 0.00 C ATOM 562 O LYS A 37 -16.291 1.136 -5.524 1.00 0.00 O ATOM 563 CB LYS A 37 -18.652 2.659 -5.688 1.00 0.00 C ATOM 564 CG LYS A 37 -19.955 3.415 -5.418 1.00 0.00 C ATOM 565 CD LYS A 37 -21.133 2.751 -6.134 1.00 0.00 C ATOM 566 CE LYS A 37 -21.222 3.214 -7.589 1.00 0.00 C ATOM 567 NZ LYS A 37 -20.490 2.281 -8.475 1.00 0.00 N ATOM 0 H LYS A 37 -17.563 4.583 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.167 2.416 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.200 3.024 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.865 1.600 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.147 3.445 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.857 4.448 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.020 1.667 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.061 2.991 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -22.266 3.272 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.806 4.217 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.589 2.591 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.483 2.272 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.883 1.324 -8.372 1.00 0.00 H new ATOM 581 N SER A 38 -15.362 2.454 -3.939 1.00 0.00 N ATOM 582 CA SER A 38 -14.062 1.808 -4.004 1.00 0.00 C ATOM 583 C SER A 38 -13.779 1.068 -2.695 1.00 0.00 C ATOM 584 O SER A 38 -13.759 1.676 -1.626 1.00 0.00 O ATOM 585 CB SER A 38 -12.955 2.824 -4.289 1.00 0.00 C ATOM 586 OG SER A 38 -13.033 3.341 -5.615 1.00 0.00 O ATOM 0 H SER A 38 -15.425 3.217 -3.265 1.00 0.00 H new ATOM 0 HA SER A 38 -14.078 1.090 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.024 3.645 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.983 2.353 -4.140 1.00 0.00 H new ATOM 0 HG SER A 38 -13.726 4.033 -5.656 1.00 0.00 H new ATOM 592 N TYR A 39 -13.569 -0.234 -2.822 1.00 0.00 N ATOM 593 CA TYR A 39 -13.288 -1.064 -1.663 1.00 0.00 C ATOM 594 C TYR A 39 -11.787 -1.324 -1.525 1.00 0.00 C ATOM 595 O TYR A 39 -11.169 -1.904 -2.417 1.00 0.00 O ATOM 596 CB TYR A 39 -14.003 -2.393 -1.912 1.00 0.00 C ATOM 597 CG TYR A 39 -15.488 -2.380 -1.542 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.869 -2.363 -0.216 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.446 -2.384 -2.535 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.266 -2.350 0.132 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.843 -2.372 -2.188 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.184 -2.355 -0.871 1.00 0.00 C ATOM 603 OH TYR A 39 -19.504 -2.343 -0.543 1.00 0.00 O ATOM 0 H TYR A 39 -13.588 -0.735 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.624 -0.573 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.904 -2.655 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.504 -3.175 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -15.119 -2.359 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.148 -2.396 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.578 -2.337 1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.603 -2.376 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 39 -20.044 -2.347 -1.361 1.00 0.00 H new ATOM 613 N LEU A 40 -11.242 -0.882 -0.401 1.00 0.00 N ATOM 614 CA LEU A 40 -9.825 -1.060 -0.135 1.00 0.00 C ATOM 615 C LEU A 40 -9.588 -2.463 0.426 1.00 0.00 C ATOM 616 O LEU A 40 -8.839 -3.249 -0.153 1.00 0.00 O ATOM 617 CB LEU A 40 -9.304 0.060 0.768 1.00 0.00 C ATOM 618 CG LEU A 40 -9.073 1.414 0.093 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.392 2.013 -0.400 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.321 2.369 1.022 1.00 0.00 C ATOM 0 H LEU A 40 -11.757 -0.401 0.336 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.252 -0.985 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.012 0.200 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.364 -0.267 1.213 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.444 1.256 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.200 2.975 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.852 1.337 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.066 2.154 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.170 3.323 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.903 2.526 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.354 1.938 1.281 1.00 0.00 H new ATOM 632 N VAL A 41 -10.240 -2.735 1.547 1.00 0.00 N ATOM 633 CA VAL A 41 -10.109 -4.030 2.193 1.00 0.00 C ATOM 634 C VAL A 41 -11.500 -4.560 2.550 1.00 0.00 C ATOM 635 O VAL A 41 -12.448 -3.786 2.681 1.00 0.00 O ATOM 636 CB VAL A 41 -9.183 -3.919 3.405 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.782 -3.467 2.985 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.769 -2.979 4.460 1.00 0.00 C ATOM 0 H VAL A 41 -10.860 -2.081 2.024 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.650 -4.750 1.515 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.096 -4.910 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.143 -3.396 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.360 -4.191 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.844 -2.492 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.090 -2.919 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.901 -1.986 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.734 -3.362 4.792 1.00 0.00 H new ATOM 648 N ARG A 42 -11.578 -5.874 2.697 1.00 0.00 N ATOM 649 CA ARG A 42 -12.836 -6.516 3.036 1.00 0.00 C ATOM 650 C ARG A 42 -12.662 -7.409 4.266 1.00 0.00 C ATOM 651 O ARG A 42 -11.543 -7.785 4.611 1.00 0.00 O ATOM 652 CB ARG A 42 -13.356 -7.360 1.871 1.00 0.00 C ATOM 653 CG ARG A 42 -14.447 -6.616 1.099 1.00 0.00 C ATOM 654 CD ARG A 42 -13.884 -5.987 -0.178 1.00 0.00 C ATOM 655 NE ARG A 42 -14.117 -6.886 -1.330 1.00 0.00 N ATOM 656 CZ ARG A 42 -15.258 -6.929 -2.031 1.00 0.00 C ATOM 657 NH1 ARG A 42 -16.277 -6.123 -1.702 1.00 0.00 N ATOM 658 NH2 ARG A 42 -15.380 -7.776 -3.062 1.00 0.00 N ATOM 0 H ARG A 42 -10.790 -6.512 2.587 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.561 -5.731 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.533 -7.605 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.751 -8.303 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.252 -7.306 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.880 -5.840 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.358 -5.022 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.816 -5.801 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.361 -7.512 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.184 -5.477 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.146 -6.156 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.604 -8.388 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.249 -7.808 -3.595 1.00 0.00 H new ATOM 672 N GLU A 43 -13.786 -7.723 4.894 1.00 0.00 N ATOM 673 CA GLU A 43 -13.771 -8.565 6.078 1.00 0.00 C ATOM 674 C GLU A 43 -14.049 -10.021 5.698 1.00 0.00 C ATOM 675 O GLU A 43 -15.117 -10.337 5.174 1.00 0.00 O ATOM 676 CB GLU A 43 -14.779 -8.068 7.117 1.00 0.00 C ATOM 677 CG GLU A 43 -14.073 -7.327 8.254 1.00 0.00 C ATOM 678 CD GLU A 43 -14.206 -8.093 9.572 1.00 0.00 C ATOM 679 OE1 GLU A 43 -13.358 -8.982 9.800 1.00 0.00 O ATOM 680 OE2 GLU A 43 -15.152 -7.771 10.323 1.00 0.00 O ATOM 0 H GLU A 43 -14.713 -7.409 4.605 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.779 -8.510 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.502 -7.406 6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.338 -8.913 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.019 -7.197 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.500 -6.330 8.364 1.00 0.00 H new ATOM 687 N GLY A 44 -13.070 -10.869 5.975 1.00 0.00 N ATOM 688 CA GLY A 44 -13.196 -12.284 5.669 1.00 0.00 C ATOM 689 C GLY A 44 -12.267 -12.680 4.519 1.00 0.00 C ATOM 690 O GLY A 44 -11.790 -13.812 4.464 1.00 0.00 O ATOM 0 H GLY A 44 -12.186 -10.604 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.957 -12.874 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.228 -12.512 5.403 1.00 0.00 H new ATOM 694 N ASP A 45 -12.039 -11.725 3.629 1.00 0.00 N ATOM 695 CA ASP A 45 -11.177 -11.961 2.483 1.00 0.00 C ATOM 696 C ASP A 45 -9.728 -11.656 2.870 1.00 0.00 C ATOM 697 O ASP A 45 -9.478 -10.908 3.813 1.00 0.00 O ATOM 698 CB ASP A 45 -11.555 -11.051 1.313 1.00 0.00 C ATOM 699 CG ASP A 45 -11.191 -9.576 1.497 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.232 -9.122 2.661 1.00 0.00 O ATOM 701 OD2 ASP A 45 -10.879 -8.936 0.469 1.00 0.00 O ATOM 0 H ASP A 45 -12.436 -10.787 3.678 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.293 -13.002 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.066 -11.421 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.629 -11.126 1.146 1.00 0.00 H new ATOM 706 N PRO A 46 -8.787 -12.268 2.102 1.00 0.00 N ATOM 707 CA PRO A 46 -7.370 -12.070 2.355 1.00 0.00 C ATOM 708 C PRO A 46 -6.915 -10.691 1.875 1.00 0.00 C ATOM 709 O PRO A 46 -7.673 -9.976 1.221 1.00 0.00 O ATOM 710 CB PRO A 46 -6.678 -13.211 1.627 1.00 0.00 C ATOM 711 CG PRO A 46 -7.685 -13.733 0.616 1.00 0.00 C ATOM 712 CD PRO A 46 -9.047 -13.161 0.977 1.00 0.00 C ATOM 0 HA PRO A 46 -7.126 -12.086 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.771 -12.865 1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.381 -13.995 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.401 -13.436 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.712 -14.823 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.486 -12.622 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.748 -13.950 1.251 1.00 0.00 H new ATOM 720 N VAL A 47 -5.679 -10.358 2.218 1.00 0.00 N ATOM 721 CA VAL A 47 -5.114 -9.077 1.829 1.00 0.00 C ATOM 722 C VAL A 47 -3.993 -9.306 0.814 1.00 0.00 C ATOM 723 O VAL A 47 -2.953 -9.872 1.149 1.00 0.00 O ATOM 724 CB VAL A 47 -4.650 -8.313 3.071 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.156 -6.913 2.699 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.762 -8.242 4.119 1.00 0.00 C ATOM 0 H VAL A 47 -5.053 -10.953 2.761 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.868 -8.457 1.345 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.814 -8.859 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.832 -6.390 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.319 -6.995 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.965 -6.355 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.406 -7.694 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.627 -7.730 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.047 -9.251 4.416 1.00 0.00 H new ATOM 736 N ASN A 48 -4.242 -8.855 -0.406 1.00 0.00 N ATOM 737 CA ASN A 48 -3.266 -9.003 -1.473 1.00 0.00 C ATOM 738 C ASN A 48 -2.260 -7.852 -1.402 1.00 0.00 C ATOM 739 O ASN A 48 -1.057 -8.065 -1.545 1.00 0.00 O ATOM 740 CB ASN A 48 -3.939 -8.959 -2.846 1.00 0.00 C ATOM 741 CG ASN A 48 -3.142 -9.764 -3.874 1.00 0.00 C ATOM 742 OD1 ASN A 48 -3.429 -10.915 -4.157 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.127 -9.096 -4.415 1.00 0.00 N ATOM 0 H ASN A 48 -5.106 -8.387 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.771 -9.966 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.951 -9.358 -2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.028 -7.925 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.534 -9.546 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.942 -8.133 -4.133 1.00 0.00 H new ATOM 750 N GLU A 49 -2.790 -6.658 -1.181 1.00 0.00 N ATOM 751 CA GLU A 49 -1.954 -5.473 -1.089 1.00 0.00 C ATOM 752 C GLU A 49 -2.482 -4.534 -0.003 1.00 0.00 C ATOM 753 O GLU A 49 -3.689 -4.456 0.222 1.00 0.00 O ATOM 754 CB GLU A 49 -1.868 -4.758 -2.439 1.00 0.00 C ATOM 755 CG GLU A 49 -3.254 -4.326 -2.921 1.00 0.00 C ATOM 756 CD GLU A 49 -4.125 -5.541 -3.245 1.00 0.00 C ATOM 757 OE1 GLU A 49 -4.003 -6.039 -4.385 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.893 -5.945 -2.345 1.00 0.00 O ATOM 0 H GLU A 49 -3.788 -6.486 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.946 -5.783 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.221 -3.885 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.413 -5.419 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.738 -3.722 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.156 -3.698 -3.806 1.00 0.00 H new ATOM 765 N MET A 50 -1.553 -3.843 0.640 1.00 0.00 N ATOM 766 CA MET A 50 -1.909 -2.912 1.697 1.00 0.00 C ATOM 767 C MET A 50 -2.004 -1.482 1.159 1.00 0.00 C ATOM 768 O MET A 50 -1.219 -1.086 0.299 1.00 0.00 O ATOM 769 CB MET A 50 -0.858 -2.971 2.806 1.00 0.00 C ATOM 770 CG MET A 50 -1.010 -1.793 3.770 1.00 0.00 C ATOM 771 SD MET A 50 -0.079 -2.099 5.261 1.00 0.00 S ATOM 772 CE MET A 50 -0.113 -0.469 5.988 1.00 0.00 C ATOM 0 H MET A 50 -0.553 -3.909 0.449 1.00 0.00 H new ATOM 0 HA MET A 50 -2.884 -3.197 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.955 -3.908 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.140 -2.960 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.660 -0.876 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.062 -1.645 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.813 -0.296 6.536 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.214 0.278 5.201 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.959 -0.393 6.671 1.00 0.00 H new ATOM 782 N LEU A 51 -2.971 -0.748 1.688 1.00 0.00 N ATOM 783 CA LEU A 51 -3.179 0.629 1.272 1.00 0.00 C ATOM 784 C LEU A 51 -2.782 1.567 2.414 1.00 0.00 C ATOM 785 O LEU A 51 -3.113 1.317 3.571 1.00 0.00 O ATOM 786 CB LEU A 51 -4.614 0.830 0.781 1.00 0.00 C ATOM 787 CG LEU A 51 -5.004 0.061 -0.483 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.807 -0.090 -1.424 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.631 -1.289 -0.132 1.00 0.00 C ATOM 0 H LEU A 51 -3.620 -1.081 2.401 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.540 0.871 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.295 0.542 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.769 1.893 0.598 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.760 0.639 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.111 -0.640 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.445 0.897 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.011 -0.634 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.899 -1.815 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.916 -1.886 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.526 -1.129 0.469 1.00 0.00 H new ATOM 801 N PHE A 52 -2.078 2.628 2.047 1.00 0.00 N ATOM 802 CA PHE A 52 -1.633 3.606 3.026 1.00 0.00 C ATOM 803 C PHE A 52 -2.341 4.947 2.823 1.00 0.00 C ATOM 804 O PHE A 52 -1.975 5.718 1.938 1.00 0.00 O ATOM 805 CB PHE A 52 -0.131 3.799 2.814 1.00 0.00 C ATOM 806 CG PHE A 52 0.704 2.549 3.104 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.557 1.439 2.333 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.594 2.550 4.133 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.331 0.280 2.603 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.368 1.391 4.402 1.00 0.00 C ATOM 811 CZ PHE A 52 2.221 0.280 3.631 1.00 0.00 C ATOM 0 H PHE A 52 -1.805 2.832 1.086 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.860 3.255 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.043 4.109 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.215 4.611 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.148 1.439 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.712 3.432 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.213 -0.602 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.074 1.391 5.219 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.811 -0.601 3.835 1.00 0.00 H new ATOM 821 N ILE A 53 -3.342 5.183 3.658 1.00 0.00 N ATOM 822 CA ILE A 53 -4.105 6.418 3.581 1.00 0.00 C ATOM 823 C ILE A 53 -3.146 7.609 3.634 1.00 0.00 C ATOM 824 O ILE A 53 -2.357 7.734 4.570 1.00 0.00 O ATOM 825 CB ILE A 53 -5.184 6.449 4.665 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.269 5.406 4.389 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.767 7.856 4.819 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.794 5.528 2.957 1.00 0.00 C ATOM 0 H ILE A 53 -3.643 4.541 4.391 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.637 6.479 2.632 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.720 6.187 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.866 4.406 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.090 5.535 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.532 7.850 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.974 8.550 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.211 8.171 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.564 4.776 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.218 6.521 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.975 5.374 2.255 1.00 0.00 H new ATOM 840 N ILE A 54 -3.245 8.453 2.618 1.00 0.00 N ATOM 841 CA ILE A 54 -2.396 9.629 2.537 1.00 0.00 C ATOM 842 C ILE A 54 -3.172 10.849 3.039 1.00 0.00 C ATOM 843 O ILE A 54 -2.676 11.604 3.873 1.00 0.00 O ATOM 844 CB ILE A 54 -1.842 9.794 1.120 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.154 8.511 0.648 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.915 11.008 1.031 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.190 8.318 1.354 1.00 0.00 C ATOM 0 H ILE A 54 -3.900 8.346 1.844 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.526 9.515 3.184 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.678 9.978 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.799 7.655 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.000 8.552 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.535 11.102 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.469 11.909 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.080 10.879 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.658 7.399 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.841 9.164 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.030 8.253 2.430 1.00 0.00 H new ATOM 859 N ARG A 55 -4.377 11.002 2.510 1.00 0.00 N ATOM 860 CA ARG A 55 -5.227 12.117 2.894 1.00 0.00 C ATOM 861 C ARG A 55 -6.630 11.941 2.309 1.00 0.00 C ATOM 862 O ARG A 55 -6.779 11.558 1.150 1.00 0.00 O ATOM 863 CB ARG A 55 -4.643 13.446 2.411 1.00 0.00 C ATOM 864 CG ARG A 55 -4.224 14.323 3.593 1.00 0.00 C ATOM 865 CD ARG A 55 -3.532 15.599 3.110 1.00 0.00 C ATOM 866 NE ARG A 55 -3.508 16.604 4.197 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.356 17.920 3.999 1.00 0.00 C ATOM 868 NH1 ARG A 55 -3.213 18.399 2.756 1.00 0.00 N ATOM 869 NH2 ARG A 55 -3.347 18.758 5.045 1.00 0.00 N ATOM 0 H ARG A 55 -4.785 10.373 1.819 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.283 12.132 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.782 13.257 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.381 13.973 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.101 14.583 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.552 13.765 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.515 15.372 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.056 16.001 2.243 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.614 16.274 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.220 17.761 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.097 19.401 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.456 18.394 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.231 19.760 4.895 1.00 0.00 H new ATOM 883 N GLY A 56 -7.622 12.229 3.139 1.00 0.00 N ATOM 884 CA GLY A 56 -9.007 12.108 2.719 1.00 0.00 C ATOM 885 C GLY A 56 -9.860 11.473 3.819 1.00 0.00 C ATOM 886 O GLY A 56 -9.465 11.454 4.983 1.00 0.00 O ATOM 0 H GLY A 56 -7.494 12.546 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.403 13.093 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.065 11.503 1.814 1.00 0.00 H new ATOM 890 N ARG A 57 -11.015 10.967 3.410 1.00 0.00 N ATOM 891 CA ARG A 57 -11.927 10.333 4.347 1.00 0.00 C ATOM 892 C ARG A 57 -12.339 8.952 3.834 1.00 0.00 C ATOM 893 O ARG A 57 -12.165 8.646 2.655 1.00 0.00 O ATOM 894 CB ARG A 57 -13.180 11.185 4.559 1.00 0.00 C ATOM 895 CG ARG A 57 -13.081 11.992 5.855 1.00 0.00 C ATOM 896 CD ARG A 57 -14.063 11.467 6.904 1.00 0.00 C ATOM 897 NE ARG A 57 -14.962 12.556 7.346 1.00 0.00 N ATOM 898 CZ ARG A 57 -16.034 12.971 6.657 1.00 0.00 C ATOM 899 NH1 ARG A 57 -16.347 12.390 5.490 1.00 0.00 N ATOM 900 NH2 ARG A 57 -16.794 13.966 7.135 1.00 0.00 N ATOM 0 H ARG A 57 -11.340 10.983 2.443 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.406 10.231 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.312 11.861 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.060 10.542 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.064 11.938 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.289 13.042 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.649 10.647 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.516 11.067 7.758 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.753 13.020 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.769 11.632 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.163 12.706 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.557 14.408 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.610 14.282 6.610 1.00 0.00 H new ATOM 914 N LEU A 58 -12.878 8.154 4.744 1.00 0.00 N ATOM 915 CA LEU A 58 -13.316 6.812 4.398 1.00 0.00 C ATOM 916 C LEU A 58 -14.360 6.344 5.413 1.00 0.00 C ATOM 917 O LEU A 58 -14.587 7.005 6.425 1.00 0.00 O ATOM 918 CB LEU A 58 -12.116 5.872 4.272 1.00 0.00 C ATOM 919 CG LEU A 58 -11.300 5.994 2.983 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.039 6.830 3.209 1.00 0.00 C ATOM 921 CD2 LEU A 58 -10.978 4.615 2.405 1.00 0.00 C ATOM 0 H LEU A 58 -13.021 8.411 5.721 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.797 6.809 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.451 6.049 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.473 4.846 4.356 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.906 6.519 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.478 6.901 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.320 7.830 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.420 6.356 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.398 4.731 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.401 4.042 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.906 4.088 2.182 1.00 0.00 H new ATOM 933 N GLU A 59 -14.968 5.207 5.108 1.00 0.00 N ATOM 934 CA GLU A 59 -15.983 4.642 5.981 1.00 0.00 C ATOM 935 C GLU A 59 -15.544 3.265 6.484 1.00 0.00 C ATOM 936 O GLU A 59 -15.297 2.360 5.689 1.00 0.00 O ATOM 937 CB GLU A 59 -17.335 4.561 5.270 1.00 0.00 C ATOM 938 CG GLU A 59 -17.476 3.240 4.509 1.00 0.00 C ATOM 939 CD GLU A 59 -18.799 3.187 3.744 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.803 2.787 4.372 1.00 0.00 O ATOM 941 OE2 GLU A 59 -18.778 3.548 2.547 1.00 0.00 O ATOM 0 H GLU A 59 -14.777 4.661 4.268 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.102 5.301 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.140 4.652 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.436 5.397 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.645 3.126 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.423 2.406 5.208 1.00 0.00 H new ATOM 948 N SER A 60 -15.460 3.151 7.801 1.00 0.00 N ATOM 949 CA SER A 60 -15.056 1.899 8.419 1.00 0.00 C ATOM 950 C SER A 60 -16.291 1.104 8.847 1.00 0.00 C ATOM 951 O SER A 60 -17.202 1.651 9.466 1.00 0.00 O ATOM 952 CB SER A 60 -14.142 2.149 9.621 1.00 0.00 C ATOM 953 OG SER A 60 -13.893 0.956 10.359 1.00 0.00 O ATOM 0 H SER A 60 -15.665 3.904 8.457 1.00 0.00 H new ATOM 0 HA SER A 60 -14.496 1.320 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.196 2.566 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.598 2.892 10.275 1.00 0.00 H new ATOM 0 HG SER A 60 -13.305 1.157 11.117 1.00 0.00 H new ATOM 959 N VAL A 61 -16.281 -0.175 8.500 1.00 0.00 N ATOM 960 CA VAL A 61 -17.388 -1.051 8.840 1.00 0.00 C ATOM 961 C VAL A 61 -16.849 -2.447 9.162 1.00 0.00 C ATOM 962 O VAL A 61 -15.909 -2.915 8.522 1.00 0.00 O ATOM 963 CB VAL A 61 -18.419 -1.055 7.710 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.197 -2.372 7.681 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.368 0.139 7.830 1.00 0.00 C ATOM 0 H VAL A 61 -15.523 -0.625 7.987 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.902 -0.688 9.730 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.881 -0.963 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -19.923 -2.348 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.505 -3.200 7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.718 -2.508 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.091 0.113 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.894 0.091 8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.796 1.065 7.778 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.690 0.595 12.216 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.185 1.588 11.282 1.00 0.00 C ATOM 1128 C ARG A 73 -19.266 2.576 12.003 1.00 0.00 C ATOM 1129 O ARG A 73 -19.504 2.919 13.160 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.332 2.356 10.623 1.00 0.00 C ATOM 1131 CG ARG A 73 -21.040 2.613 9.143 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.216 4.094 8.799 1.00 0.00 C ATOM 1133 NE ARG A 73 -22.477 4.293 8.050 1.00 0.00 N ATOM 1134 CZ ARG A 73 -23.089 5.477 7.909 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -22.558 6.575 8.465 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -24.230 5.563 7.213 1.00 0.00 N ATOM 0 HA ARG A 73 -19.623 1.062 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.258 1.789 10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.482 3.305 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.022 2.300 8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -21.708 2.011 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.228 4.689 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.371 4.441 8.204 1.00 0.00 H new ATOM 0 HE ARG A 73 -22.907 3.478 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.689 6.509 8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.023 7.477 8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -24.634 4.727 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -24.695 6.464 7.106 1.00 0.00 H new ATOM 1150 N SER A 74 -18.236 3.005 11.289 1.00 0.00 N ATOM 1151 CA SER A 74 -17.280 3.947 11.847 1.00 0.00 C ATOM 1152 C SER A 74 -16.674 4.799 10.730 1.00 0.00 C ATOM 1153 O SER A 74 -16.932 4.560 9.552 1.00 0.00 O ATOM 1154 CB SER A 74 -16.178 3.221 12.619 1.00 0.00 C ATOM 1155 OG SER A 74 -16.697 2.472 13.714 1.00 0.00 O ATOM 0 H SER A 74 -18.042 2.718 10.330 1.00 0.00 H new ATOM 0 HA SER A 74 -17.807 4.597 12.546 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.643 2.553 11.944 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.455 3.948 12.988 1.00 0.00 H new ATOM 0 HG SER A 74 -15.962 2.022 14.180 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.878 5.776 11.140 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.232 6.665 10.189 1.00 0.00 C ATOM 1163 C LEU A 75 -13.743 6.771 10.527 1.00 0.00 C ATOM 1164 O LEU A 75 -13.356 6.646 11.688 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.950 8.015 10.145 1.00 0.00 C ATOM 1166 CG LEU A 75 -16.185 8.604 8.752 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -17.171 7.748 7.955 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -16.636 10.063 8.843 1.00 0.00 C ATOM 0 H LEU A 75 -15.666 5.971 12.118 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.302 6.259 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.915 7.907 10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.371 8.731 10.728 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.238 8.593 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.321 8.188 6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.772 6.740 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.124 7.705 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.796 10.458 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.566 10.122 9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.868 10.651 9.346 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.949 7.000 9.491 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.512 7.125 9.663 1.00 0.00 C ATOM 1182 C LEU A 76 -11.067 8.518 9.214 1.00 0.00 C ATOM 1183 O LEU A 76 -11.761 9.175 8.439 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.786 5.986 8.945 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.391 4.591 9.116 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.828 3.618 8.078 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.196 4.081 10.545 1.00 0.00 C ATOM 0 H LEU A 76 -13.274 7.102 8.530 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.245 7.030 10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.752 6.217 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.755 5.959 9.298 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.465 4.660 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.274 2.634 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.061 3.979 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.747 3.546 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.635 3.088 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.131 4.030 10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.683 4.761 11.244 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.913 8.927 9.719 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.368 10.230 9.379 1.00 0.00 C ATOM 1201 C LYS A 77 -7.901 10.075 8.972 1.00 0.00 C ATOM 1202 O LYS A 77 -7.408 8.957 8.830 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.586 11.219 10.526 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.544 11.018 11.628 1.00 0.00 C ATOM 1205 CD LYS A 77 -8.145 12.355 12.256 1.00 0.00 C ATOM 1206 CE LYS A 77 -7.343 13.206 11.269 1.00 0.00 C ATOM 1207 NZ LYS A 77 -8.242 14.096 10.502 1.00 0.00 N ATOM 0 H LYS A 77 -9.340 8.379 10.361 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.895 10.650 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.528 12.239 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.587 11.089 10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.945 10.357 12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.662 10.529 11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.039 12.896 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.553 12.177 13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.606 13.801 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.792 12.559 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.301 13.766 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.190 14.083 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.868 15.066 10.520 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.245 11.212 8.795 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.845 11.216 8.408 1.00 0.00 C ATOM 1223 C GLU A 78 -4.982 10.632 9.528 1.00 0.00 C ATOM 1224 O GLU A 78 -4.972 11.151 10.644 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.382 12.626 8.038 1.00 0.00 C ATOM 1226 CG GLU A 78 -6.149 13.154 6.824 1.00 0.00 C ATOM 1227 CD GLU A 78 -6.555 14.616 7.025 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -5.632 15.454 7.118 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -7.780 14.862 7.080 1.00 0.00 O ATOM 0 H GLU A 78 -7.658 12.137 8.913 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.732 10.588 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.530 13.295 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.314 12.617 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.530 13.064 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.038 12.545 6.658 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.278 9.561 9.193 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.414 8.901 10.157 1.00 0.00 C ATOM 1238 C GLY A 79 -3.735 7.408 10.249 1.00 0.00 C ATOM 1239 O GLY A 79 -2.855 6.596 10.531 1.00 0.00 O ATOM 0 H GLY A 79 -4.288 9.134 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.372 9.035 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.536 9.364 11.136 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.999 7.091 10.006 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.447 5.709 10.058 1.00 0.00 C ATOM 1245 C ASP A 80 -5.027 4.993 8.774 1.00 0.00 C ATOM 1246 O ASP A 80 -5.092 5.568 7.688 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.971 5.629 10.168 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.491 4.810 11.351 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.964 3.694 11.545 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -8.405 5.320 12.035 1.00 0.00 O ATOM 0 H ASP A 80 -5.726 7.767 9.773 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.997 5.241 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.369 6.641 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.365 5.200 9.247 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.605 3.748 8.939 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.174 2.946 7.806 1.00 0.00 C ATOM 1257 C PHE A 81 -5.070 1.719 7.631 1.00 0.00 C ATOM 1258 O PHE A 81 -5.853 1.385 8.519 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.747 2.483 8.103 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.455 2.283 9.592 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.927 1.182 10.236 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.722 3.205 10.271 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.656 0.996 11.617 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.450 3.019 11.652 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.923 1.919 12.296 1.00 0.00 C ATOM 0 H PHE A 81 -4.552 3.274 9.841 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.228 3.535 6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.563 1.546 7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.047 3.216 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.508 0.449 9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.347 4.079 9.760 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.032 0.122 12.128 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.867 3.751 12.191 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.717 1.778 13.347 1.00 0.00 H new ATOM 1275 N CYS A 82 -4.926 1.080 6.479 1.00 0.00 N ATOM 1276 CA CYS A 82 -5.712 -0.103 6.175 1.00 0.00 C ATOM 1277 C CYS A 82 -4.752 -1.245 5.838 1.00 0.00 C ATOM 1278 O CYS A 82 -3.566 -1.015 5.603 1.00 0.00 O ATOM 1279 CB CYS A 82 -6.710 0.156 5.044 1.00 0.00 C ATOM 1280 SG CYS A 82 -7.835 1.524 5.503 1.00 0.00 S ATOM 0 H CYS A 82 -4.276 1.360 5.745 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.310 -0.378 7.044 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.176 0.405 4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.286 -0.747 4.842 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.677 1.737 4.535 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.299 -2.452 5.827 1.00 0.00 N ATOM 1287 CA GLY A 83 -4.505 -3.630 5.523 1.00 0.00 C ATOM 1288 C GLY A 83 -3.152 -3.579 6.236 1.00 0.00 C ATOM 1289 O GLY A 83 -2.154 -4.079 5.718 1.00 0.00 O ATOM 0 H GLY A 83 -6.282 -2.639 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.046 -4.526 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.350 -3.701 4.446 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.162 -2.970 7.413 1.00 0.00 N ATOM 1294 CA ASP A 84 -1.948 -2.847 8.202 1.00 0.00 C ATOM 1295 C ASP A 84 -1.444 -4.242 8.575 1.00 0.00 C ATOM 1296 O ASP A 84 -0.242 -4.449 8.735 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.209 -2.076 9.497 1.00 0.00 C ATOM 1298 CG ASP A 84 -3.518 -2.430 10.207 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -4.561 -1.895 9.773 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.445 -3.226 11.167 1.00 0.00 O ATOM 0 H ASP A 84 -3.991 -2.557 7.839 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.211 -2.310 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.381 -2.256 10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.211 -1.009 9.273 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.388 -5.163 8.702 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.054 -6.533 9.053 1.00 0.00 C ATOM 1307 C GLU A 85 -0.969 -7.072 8.118 1.00 0.00 C ATOM 1308 O GLU A 85 -0.117 -7.854 8.535 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.296 -7.425 9.023 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.009 -7.419 10.377 1.00 0.00 C ATOM 1311 CD GLU A 85 -4.399 -5.997 10.784 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -4.956 -5.290 9.916 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -4.133 -5.649 11.955 1.00 0.00 O ATOM 0 H GLU A 85 -3.384 -4.987 8.568 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.665 -6.542 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.979 -7.078 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.010 -8.444 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.901 -8.044 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.359 -7.853 11.136 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.037 -6.632 6.870 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.072 -7.061 5.872 1.00 0.00 C ATOM 1322 C LEU A 86 1.335 -6.670 6.329 1.00 0.00 C ATOM 1323 O LEU A 86 2.218 -7.521 6.426 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.445 -6.510 4.494 1.00 0.00 C ATOM 1325 CG LEU A 86 0.318 -7.099 3.306 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.118 -8.541 3.035 1.00 0.00 C ATOM 1327 CD2 LEU A 86 0.173 -6.214 2.067 1.00 0.00 C ATOM 0 H LEU A 86 -1.745 -5.983 6.527 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.086 -8.146 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.510 -6.677 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.289 -5.431 4.502 1.00 0.00 H new ATOM 0 HG LEU A 86 1.378 -7.125 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.439 -8.936 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.080 -9.153 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.184 -8.563 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.725 -6.656 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.880 -6.133 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.571 -5.222 2.280 1.00 0.00 H new ATOM 1339 N LEU A 87 1.500 -5.383 6.598 1.00 0.00 N ATOM 1340 CA LEU A 87 2.784 -4.870 7.043 1.00 0.00 C ATOM 1341 C LEU A 87 3.371 -5.817 8.092 1.00 0.00 C ATOM 1342 O LEU A 87 4.535 -6.203 8.003 1.00 0.00 O ATOM 1343 CB LEU A 87 2.645 -3.425 7.527 1.00 0.00 C ATOM 1344 CG LEU A 87 3.777 -2.474 7.132 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.566 -1.929 5.718 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.935 -1.353 8.161 1.00 0.00 C ATOM 0 H LEU A 87 0.765 -4.680 6.516 1.00 0.00 H new ATOM 0 HA LEU A 87 3.490 -4.837 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.708 -3.022 7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.566 -3.433 8.614 1.00 0.00 H new ATOM 0 HG LEU A 87 4.710 -3.037 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.384 -1.256 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.541 -2.757 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.622 -1.386 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.746 -0.691 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.007 -0.784 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.165 -1.784 9.136 1.00 0.00 H new ATOM 1358 N THR A 88 2.538 -6.162 9.063 1.00 0.00 N ATOM 1359 CA THR A 88 2.959 -7.056 10.128 1.00 0.00 C ATOM 1360 C THR A 88 3.147 -8.476 9.590 1.00 0.00 C ATOM 1361 O THR A 88 4.133 -9.138 9.908 1.00 0.00 O ATOM 1362 CB THR A 88 1.930 -6.964 11.257 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.549 -6.120 12.224 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.745 -8.295 11.989 1.00 0.00 C ATOM 0 H THR A 88 1.573 -5.838 9.134 1.00 0.00 H new ATOM 0 HA THR A 88 3.930 -6.764 10.529 1.00 0.00 H new ATOM 0 HB THR A 88 0.973 -6.636 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.949 -6.005 12.990 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.005 -8.175 12.780 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.404 -9.053 11.284 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.695 -8.606 12.425 1.00 0.00 H new ATOM 1372 N TRP A 89 2.184 -8.901 8.786 1.00 0.00 N ATOM 1373 CA TRP A 89 2.230 -10.230 8.201 1.00 0.00 C ATOM 1374 C TRP A 89 3.663 -10.490 7.731 1.00 0.00 C ATOM 1375 O TRP A 89 4.352 -11.352 8.275 1.00 0.00 O ATOM 1376 CB TRP A 89 1.199 -10.373 7.080 1.00 0.00 C ATOM 1377 CG TRP A 89 1.427 -11.585 6.174 1.00 0.00 C ATOM 1378 CD1 TRP A 89 1.067 -12.857 6.393 1.00 0.00 C ATOM 1379 CD2 TRP A 89 2.084 -11.587 4.890 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.443 -13.676 5.348 1.00 0.00 N ATOM 1381 CE2 TRP A 89 2.081 -12.879 4.405 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.663 -10.532 4.162 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.643 -13.236 3.173 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.220 -10.906 2.933 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.225 -12.202 2.430 1.00 0.00 C ATOM 0 H TRP A 89 1.367 -8.348 8.526 1.00 0.00 H new ATOM 0 HA TRP A 89 1.962 -10.985 8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.205 -10.445 7.522 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.213 -9.469 6.471 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.548 -13.198 7.276 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.282 -14.681 5.280 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.677 -9.514 4.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.628 -14.255 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.678 -10.133 2.334 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.676 -12.410 1.471 1.00 0.00 H new ATOM 1396 N ALA A 90 4.070 -9.730 6.725 1.00 0.00 N ATOM 1397 CA ALA A 90 5.408 -9.867 6.176 1.00 0.00 C ATOM 1398 C ALA A 90 6.425 -9.868 7.319 1.00 0.00 C ATOM 1399 O ALA A 90 7.304 -10.728 7.371 1.00 0.00 O ATOM 1400 CB ALA A 90 5.664 -8.744 5.169 1.00 0.00 C ATOM 0 H ALA A 90 3.496 -9.017 6.276 1.00 0.00 H new ATOM 0 HA ALA A 90 5.510 -10.812 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.668 -8.847 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.933 -8.805 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.574 -7.780 5.669 1.00 0.00 H new ATOM 1406 N LEU A 91 6.273 -8.896 8.206 1.00 0.00 N ATOM 1407 CA LEU A 91 7.167 -8.774 9.344 1.00 0.00 C ATOM 1408 C LEU A 91 7.134 -10.072 10.155 1.00 0.00 C ATOM 1409 O LEU A 91 8.104 -10.410 10.832 1.00 0.00 O ATOM 1410 CB LEU A 91 6.825 -7.529 10.164 1.00 0.00 C ATOM 1411 CG LEU A 91 7.658 -6.280 9.868 1.00 0.00 C ATOM 1412 CD1 LEU A 91 7.832 -6.083 8.360 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.056 -5.046 10.542 1.00 0.00 C ATOM 0 H LEU A 91 5.543 -8.185 8.159 1.00 0.00 H new ATOM 0 HA LEU A 91 8.194 -8.633 9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.775 -7.288 10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.935 -7.773 11.221 1.00 0.00 H new ATOM 0 HG LEU A 91 8.652 -6.424 10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.428 -5.189 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.339 -6.950 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.854 -5.970 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.668 -4.173 10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.044 -4.886 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.027 -5.198 11.621 1.00 0.00 H new ATOM 1425 N ASP A 92 6.009 -10.764 10.058 1.00 0.00 N ATOM 1426 CA ASP A 92 5.837 -12.017 10.774 1.00 0.00 C ATOM 1427 C ASP A 92 6.355 -13.168 9.909 1.00 0.00 C ATOM 1428 O ASP A 92 5.827 -13.423 8.828 1.00 0.00 O ATOM 1429 CB ASP A 92 4.360 -12.280 11.076 1.00 0.00 C ATOM 1430 CG ASP A 92 4.098 -13.164 12.297 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.010 -13.241 13.148 1.00 0.00 O ATOM 1432 OD2 ASP A 92 2.991 -13.742 12.352 1.00 0.00 O ATOM 0 H ASP A 92 5.207 -10.481 9.494 1.00 0.00 H new ATOM 0 HA ASP A 92 6.390 -11.950 11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.859 -11.323 11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.904 -12.747 10.203 1.00 0.00 H new ATOM 1437 N PRO A 93 7.409 -13.850 10.432 1.00 0.00 N ATOM 1438 CA PRO A 93 8.004 -14.968 9.720 1.00 0.00 C ATOM 1439 C PRO A 93 7.114 -16.209 9.806 1.00 0.00 C ATOM 1440 O PRO A 93 6.935 -16.919 8.818 1.00 0.00 O ATOM 1441 CB PRO A 93 9.365 -15.166 10.367 1.00 0.00 C ATOM 1442 CG PRO A 93 9.294 -14.463 11.712 1.00 0.00 C ATOM 1443 CD PRO A 93 8.060 -13.575 11.709 1.00 0.00 C ATOM 0 HA PRO A 93 8.109 -14.779 8.652 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.588 -16.226 10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.157 -14.745 9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.238 -15.191 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.192 -13.868 11.880 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.403 -13.808 12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.329 -12.523 11.798 1.00 0.00 H new ATOM 1451 N LYS A 94 6.580 -16.433 10.997 1.00 0.00 N ATOM 1452 CA LYS A 94 5.712 -17.576 11.226 1.00 0.00 C ATOM 1453 C LYS A 94 4.648 -17.631 10.128 1.00 0.00 C ATOM 1454 O LYS A 94 4.326 -18.705 9.623 1.00 0.00 O ATOM 1455 CB LYS A 94 5.135 -17.536 12.642 1.00 0.00 C ATOM 1456 CG LYS A 94 6.250 -17.488 13.688 1.00 0.00 C ATOM 1457 CD LYS A 94 7.254 -18.622 13.473 1.00 0.00 C ATOM 1458 CE LYS A 94 7.713 -19.209 14.809 1.00 0.00 C ATOM 1459 NZ LYS A 94 9.185 -19.363 14.829 1.00 0.00 N ATOM 0 H LYS A 94 6.731 -15.842 11.815 1.00 0.00 H new ATOM 0 HA LYS A 94 6.280 -18.504 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.491 -16.663 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.512 -18.415 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.763 -16.528 13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.820 -17.563 14.687 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.800 -19.404 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.116 -18.249 12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.398 -18.559 15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.238 -20.177 14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.480 -19.763 15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.478 -20.001 14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.633 -18.434 14.697 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.318 -15.409 2.706 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.365 -13.977 2.946 1.00 0.00 C ATOM 1518 C LEU A 99 -3.130 -13.705 4.242 1.00 0.00 C ATOM 1519 O LEU A 99 -3.924 -14.535 4.685 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.939 -13.249 1.729 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.172 -13.426 0.417 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.027 -13.005 -0.780 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.837 -12.680 0.458 1.00 0.00 C ATOM 0 HA LEU A 99 -1.359 -13.581 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.963 -13.590 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.988 -12.184 1.957 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.946 -14.485 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.458 -13.141 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.928 -13.618 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.305 -11.956 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.312 -12.822 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.019 -11.617 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.228 -13.069 1.274 1.00 0.00 H new ATOM 1535 N PRO A 100 -2.857 -12.510 4.831 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.511 -12.119 6.069 1.00 0.00 C ATOM 1537 C PRO A 100 -4.961 -11.702 5.815 1.00 0.00 C ATOM 1538 O PRO A 100 -5.420 -11.700 4.673 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.658 -10.990 6.625 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.829 -10.480 5.457 1.00 0.00 C ATOM 1541 CD PRO A 100 -1.923 -11.503 4.336 1.00 0.00 C ATOM 0 HA PRO A 100 -3.580 -12.938 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.281 -10.197 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.018 -11.345 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.198 -9.511 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.791 -10.339 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.284 -11.048 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.949 -11.940 4.116 1.00 0.00 H new ATOM 1549 N SER A 101 -5.643 -11.360 6.898 1.00 0.00 N ATOM 1550 CA SER A 101 -7.032 -10.942 6.807 1.00 0.00 C ATOM 1551 C SER A 101 -7.192 -9.531 7.374 1.00 0.00 C ATOM 1552 O SER A 101 -6.574 -9.189 8.381 1.00 0.00 O ATOM 1553 CB SER A 101 -7.950 -11.919 7.545 1.00 0.00 C ATOM 1554 OG SER A 101 -7.571 -13.275 7.328 1.00 0.00 O ATOM 0 H SER A 101 -5.260 -11.364 7.843 1.00 0.00 H new ATOM 0 HA SER A 101 -7.320 -10.938 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.926 -11.702 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.978 -11.772 7.213 1.00 0.00 H new ATOM 0 HG SER A 101 -8.180 -13.867 7.817 1.00 0.00 H new ATOM 1560 N SER A 102 -8.026 -8.749 6.704 1.00 0.00 N ATOM 1561 CA SER A 102 -8.276 -7.382 7.129 1.00 0.00 C ATOM 1562 C SER A 102 -8.936 -7.376 8.509 1.00 0.00 C ATOM 1563 O SER A 102 -9.452 -8.397 8.959 1.00 0.00 O ATOM 1564 CB SER A 102 -9.153 -6.642 6.117 1.00 0.00 C ATOM 1565 OG SER A 102 -9.205 -5.242 6.379 1.00 0.00 O ATOM 0 H SER A 102 -8.537 -9.036 5.870 1.00 0.00 H new ATOM 0 HA SER A 102 -7.320 -6.862 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.766 -6.809 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.162 -7.053 6.142 1.00 0.00 H new ATOM 0 HG SER A 102 -10.134 -4.973 6.538 1.00 0.00 H new ATOM 1571 N THR A 103 -8.899 -6.212 9.142 1.00 0.00 N ATOM 1572 CA THR A 103 -9.488 -6.059 10.462 1.00 0.00 C ATOM 1573 C THR A 103 -10.915 -5.519 10.350 1.00 0.00 C ATOM 1574 O THR A 103 -11.779 -5.866 11.153 1.00 0.00 O ATOM 1575 CB THR A 103 -8.563 -5.166 11.291 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.204 -4.114 10.399 1.00 0.00 O ATOM 1577 CG2 THR A 103 -7.233 -5.846 11.620 1.00 0.00 C ATOM 0 H THR A 103 -8.471 -5.366 8.765 1.00 0.00 H new ATOM 0 HA THR A 103 -9.577 -7.019 10.970 1.00 0.00 H new ATOM 0 HB THR A 103 -9.065 -4.884 12.217 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.606 -3.487 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.614 -5.169 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.421 -6.756 12.190 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.715 -6.098 10.695 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.118 -4.678 9.346 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.425 -4.086 9.119 1.00 0.00 C ATOM 1587 C ARG A 104 -12.591 -3.717 7.643 1.00 0.00 C ATOM 1588 O ARG A 104 -11.608 -3.455 6.951 1.00 0.00 O ATOM 1589 CB ARG A 104 -12.619 -2.833 9.976 1.00 0.00 C ATOM 1590 CG ARG A 104 -11.722 -1.693 9.491 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.287 -1.874 9.988 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.279 -2.051 11.457 1.00 0.00 N ATOM 1593 CZ ARG A 104 -10.381 -1.044 12.335 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -10.501 0.217 11.898 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -10.365 -1.298 13.651 1.00 0.00 N ATOM 0 H ARG A 104 -10.399 -4.393 8.681 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.177 -4.824 9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -13.663 -2.520 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.392 -3.061 11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.731 -1.657 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.116 -0.740 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.833 -2.740 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.687 -1.006 9.715 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.190 -2.999 11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.515 0.411 10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.579 0.983 12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.275 -2.258 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.443 -0.531 14.319 1.00 0.00 H new ATOM 1609 N THR A 105 -13.842 -3.707 7.206 1.00 0.00 N ATOM 1610 CA THR A 105 -14.149 -3.375 5.825 1.00 0.00 C ATOM 1611 C THR A 105 -14.281 -1.859 5.658 1.00 0.00 C ATOM 1612 O THR A 105 -15.196 -1.248 6.210 1.00 0.00 O ATOM 1613 CB THR A 105 -15.409 -4.143 5.423 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.002 -5.508 5.434 1.00 0.00 O ATOM 1615 CG2 THR A 105 -15.813 -3.886 3.969 1.00 0.00 C ATOM 0 H THR A 105 -14.654 -3.923 7.784 1.00 0.00 H new ATOM 0 HA THR A 105 -13.342 -3.675 5.157 1.00 0.00 H new ATOM 0 HB THR A 105 -16.230 -3.863 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 105 -14.071 -5.569 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.713 -4.455 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.009 -2.823 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.005 -4.197 3.307 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.356 -1.297 4.896 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.358 0.135 4.649 1.00 0.00 C ATOM 1625 C VAL A 106 -13.808 0.400 3.212 1.00 0.00 C ATOM 1626 O VAL A 106 -13.559 -0.409 2.320 1.00 0.00 O ATOM 1627 CB VAL A 106 -11.980 0.722 4.962 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.863 2.155 4.439 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.685 0.660 6.462 1.00 0.00 C ATOM 0 H VAL A 106 -12.599 -1.807 4.441 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.067 0.635 5.309 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.233 0.116 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.874 2.549 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.008 2.161 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.623 2.778 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.700 1.083 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.439 1.230 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.706 -0.378 6.794 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.463 1.538 3.031 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.951 1.920 1.716 1.00 0.00 C ATOM 1641 C LYS A 107 -14.711 3.416 1.503 1.00 0.00 C ATOM 1642 O LYS A 107 -14.511 4.159 2.463 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.412 1.501 1.544 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.699 1.095 0.097 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.128 1.467 -0.303 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.232 2.955 -0.644 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.645 3.397 -0.612 1.00 0.00 N ATOM 0 H LYS A 107 -14.667 2.208 3.773 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.399 1.394 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.636 0.668 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.066 2.324 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.991 1.587 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.553 0.021 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.436 0.871 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.811 1.228 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -17.646 3.539 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.810 3.138 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.698 4.409 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.195 2.852 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.036 3.241 0.339 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.738 3.813 0.240 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.526 5.207 -0.112 1.00 0.00 C ATOM 1663 C ALA A 108 -15.856 5.827 -0.546 1.00 0.00 C ATOM 1664 O ALA A 108 -16.474 5.371 -1.506 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.456 5.302 -1.200 1.00 0.00 C ATOM 0 H ALA A 108 -14.904 3.194 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.166 5.770 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.297 6.348 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.523 4.875 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.784 4.751 -2.082 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.258 6.858 0.184 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.503 7.545 -0.114 1.00 0.00 C ATOM 1673 C LEU A 109 -17.195 8.860 -0.833 1.00 0.00 C ATOM 1674 O LEU A 109 -18.010 9.350 -1.614 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.335 7.720 1.158 1.00 0.00 C ATOM 1676 CG LEU A 109 -18.041 6.737 2.293 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.855 7.211 3.135 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.289 6.494 3.145 1.00 0.00 C ATOM 0 H LEU A 109 -15.743 7.234 0.981 1.00 0.00 H new ATOM 0 HA LEU A 109 -18.116 6.948 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -18.182 8.732 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.389 7.634 0.894 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.761 5.780 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.667 6.495 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.970 7.291 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.082 8.186 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.053 5.792 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.624 7.437 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.081 6.080 2.521 1.00 0.00 H new ATOM 1690 N THR A 110 -16.017 9.393 -0.546 1.00 0.00 N ATOM 1691 CA THR A 110 -15.592 10.642 -1.155 1.00 0.00 C ATOM 1692 C THR A 110 -14.192 10.493 -1.754 1.00 0.00 C ATOM 1693 O THR A 110 -13.420 9.633 -1.331 1.00 0.00 O ATOM 1694 CB THR A 110 -15.687 11.742 -0.096 1.00 0.00 C ATOM 1695 OG1 THR A 110 -15.125 12.886 -0.733 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.762 11.487 1.096 1.00 0.00 C ATOM 0 H THR A 110 -15.343 8.983 0.100 1.00 0.00 H new ATOM 0 HA THR A 110 -16.240 10.917 -1.987 1.00 0.00 H new ATOM 0 HB THR A 110 -16.716 11.822 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 110 -15.148 13.648 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.868 12.296 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.030 10.542 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.729 11.441 0.751 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.906 11.344 -2.728 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.613 11.319 -3.389 1.00 0.00 C ATOM 1706 C GLU A 111 -11.494 11.143 -2.360 1.00 0.00 C ATOM 1707 O GLU A 111 -11.477 11.823 -1.335 1.00 0.00 O ATOM 1708 CB GLU A 111 -12.398 12.583 -4.223 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.616 12.272 -5.501 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.932 13.289 -6.599 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -11.642 14.482 -6.368 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -12.457 12.850 -7.645 1.00 0.00 O ATOM 0 H GLU A 111 -14.549 12.056 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.591 10.468 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.362 13.021 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.858 13.324 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.547 12.281 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.863 11.269 -5.848 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.587 10.228 -2.669 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.468 9.955 -1.784 1.00 0.00 C ATOM 1721 C VAL A 112 -8.205 9.737 -2.618 1.00 0.00 C ATOM 1722 O VAL A 112 -8.283 9.547 -3.831 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.797 8.769 -0.875 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -10.355 9.245 0.468 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.767 7.805 -1.562 1.00 0.00 C ATOM 0 H VAL A 112 -10.604 9.666 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.282 10.807 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.870 8.229 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.580 8.382 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.617 9.873 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.266 9.820 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.985 6.971 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.692 8.329 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.316 7.427 -2.480 1.00 0.00 H new ATOM 1735 N GLU A 113 -7.070 9.770 -1.936 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.791 9.578 -2.599 1.00 0.00 C ATOM 1737 C GLU A 113 -4.828 8.817 -1.686 1.00 0.00 C ATOM 1738 O GLU A 113 -4.575 9.236 -0.557 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.192 10.917 -3.033 1.00 0.00 C ATOM 1740 CG GLU A 113 -3.717 10.762 -3.408 1.00 0.00 C ATOM 1741 CD GLU A 113 -2.820 11.532 -2.435 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.039 11.373 -1.215 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -1.937 12.262 -2.935 1.00 0.00 O ATOM 0 H GLU A 113 -7.009 9.927 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.956 8.983 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.748 11.309 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.291 11.643 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.445 9.706 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.556 11.126 -4.423 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.317 7.712 -2.208 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.387 6.888 -1.453 1.00 0.00 C ATOM 1752 C ALA A 114 -2.601 5.999 -2.419 1.00 0.00 C ATOM 1753 O ALA A 114 -2.868 5.993 -3.619 1.00 0.00 O ATOM 1754 CB ALA A 114 -4.156 6.077 -0.408 1.00 0.00 C ATOM 0 H ALA A 114 -4.529 7.368 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.669 7.510 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.459 5.459 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.673 6.755 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.884 5.438 -0.907 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.648 5.269 -1.858 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.821 4.378 -2.654 1.00 0.00 C ATOM 1762 C PHE A 115 -1.091 2.915 -2.297 1.00 0.00 C ATOM 1763 O PHE A 115 -1.682 2.625 -1.258 1.00 0.00 O ATOM 1764 CB PHE A 115 0.636 4.710 -2.328 1.00 0.00 C ATOM 1765 CG PHE A 115 1.046 6.138 -2.694 1.00 0.00 C ATOM 1766 CD1 PHE A 115 0.707 7.173 -1.880 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.750 6.372 -3.834 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.087 8.498 -2.220 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.130 7.697 -4.174 1.00 0.00 C ATOM 1770 CZ PHE A 115 1.791 8.732 -3.360 1.00 0.00 C ATOM 0 H PHE A 115 -1.430 5.276 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.041 4.512 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.803 4.557 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.284 4.010 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.148 6.987 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.020 5.550 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.817 9.320 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.689 7.883 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.081 9.740 -3.619 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.645 2.032 -3.178 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.830 0.606 -2.969 1.00 0.00 C ATOM 1782 C ALA A 116 0.500 -0.021 -2.549 1.00 0.00 C ATOM 1783 O ALA A 116 1.562 0.559 -2.773 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.398 -0.027 -4.241 1.00 0.00 C ATOM 0 H ALA A 116 -0.156 2.277 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.546 0.426 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.537 -1.097 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.357 0.432 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.705 0.132 -5.067 1.00 0.00 H new ATOM 1790 N LEU A 117 0.400 -1.197 -1.948 1.00 0.00 N ATOM 1791 CA LEU A 117 1.583 -1.909 -1.495 1.00 0.00 C ATOM 1792 C LEU A 117 1.315 -3.415 -1.540 1.00 0.00 C ATOM 1793 O LEU A 117 0.406 -3.907 -0.874 1.00 0.00 O ATOM 1794 CB LEU A 117 2.019 -1.403 -0.119 1.00 0.00 C ATOM 1795 CG LEU A 117 3.527 -1.280 0.104 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.239 -2.594 -0.222 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.104 -0.104 -0.687 1.00 0.00 C ATOM 0 H LEU A 117 -0.482 -1.675 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 117 2.423 -1.714 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.567 -0.425 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.614 -2.074 0.638 1.00 0.00 H new ATOM 0 HG LEU A 117 3.700 -1.074 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.310 -2.479 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.854 -3.386 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.061 -2.855 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.178 -0.039 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.919 -0.255 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.627 0.821 -0.364 1.00 0.00 H new ATOM 1809 N ILE A 118 2.123 -4.104 -2.333 1.00 0.00 N ATOM 1810 CA ILE A 118 1.985 -5.543 -2.474 1.00 0.00 C ATOM 1811 C ILE A 118 2.722 -6.237 -1.326 1.00 0.00 C ATOM 1812 O ILE A 118 3.750 -5.749 -0.859 1.00 0.00 O ATOM 1813 CB ILE A 118 2.446 -5.993 -3.862 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.459 -7.519 -3.967 1.00 0.00 C ATOM 1815 CG2 ILE A 118 3.804 -5.382 -4.213 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.678 -7.967 -5.414 1.00 0.00 C ATOM 0 H ILE A 118 2.876 -3.692 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 118 0.937 -5.833 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 118 1.729 -5.626 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.248 -7.924 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.516 -7.921 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.109 -5.718 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.727 -4.295 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.546 -5.698 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.683 -9.056 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.874 -7.581 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.633 -7.584 -5.773 1.00 0.00 H new ATOM 1828 N ALA A 119 2.168 -7.364 -0.905 1.00 0.00 N ATOM 1829 CA ALA A 119 2.760 -8.130 0.179 1.00 0.00 C ATOM 1830 C ALA A 119 4.090 -8.724 -0.290 1.00 0.00 C ATOM 1831 O ALA A 119 5.114 -8.560 0.372 1.00 0.00 O ATOM 1832 CB ALA A 119 1.774 -9.203 0.644 1.00 0.00 C ATOM 0 H ALA A 119 1.315 -7.766 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 119 2.969 -7.487 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.218 -9.777 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.857 -8.728 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.543 -9.869 -0.187 1.00 0.00 H new ATOM 1838 N ASP A 120 4.031 -9.402 -1.427 1.00 0.00 N ATOM 1839 CA ASP A 120 5.218 -10.021 -1.991 1.00 0.00 C ATOM 1840 C ASP A 120 6.413 -9.083 -1.809 1.00 0.00 C ATOM 1841 O ASP A 120 7.304 -9.355 -1.006 1.00 0.00 O ATOM 1842 CB ASP A 120 5.045 -10.280 -3.489 1.00 0.00 C ATOM 1843 CG ASP A 120 5.031 -11.756 -3.892 1.00 0.00 C ATOM 1844 OD1 ASP A 120 6.093 -12.397 -3.738 1.00 0.00 O ATOM 1845 OD2 ASP A 120 3.958 -12.211 -4.344 1.00 0.00 O ATOM 0 H ASP A 120 3.180 -9.536 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 120 5.380 -10.968 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.113 -9.820 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 120 5.852 -9.780 -4.025 1.00 0.00 H new ATOM 1850 N GLU A 121 6.393 -7.997 -2.568 1.00 0.00 N ATOM 1851 CA GLU A 121 7.464 -7.017 -2.500 1.00 0.00 C ATOM 1852 C GLU A 121 7.772 -6.667 -1.043 1.00 0.00 C ATOM 1853 O GLU A 121 8.906 -6.325 -0.709 1.00 0.00 O ATOM 1854 CB GLU A 121 7.111 -5.763 -3.302 1.00 0.00 C ATOM 1855 CG GLU A 121 6.899 -6.098 -4.780 1.00 0.00 C ATOM 1856 CD GLU A 121 8.229 -6.103 -5.537 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.085 -6.939 -5.174 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.359 -5.272 -6.461 1.00 0.00 O ATOM 0 H GLU A 121 5.652 -7.774 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 121 8.358 -7.454 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.207 -5.309 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.909 -5.027 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.421 -7.073 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.224 -5.369 -5.229 1.00 0.00 H new ATOM 1865 N LEU A 122 6.743 -6.764 -0.214 1.00 0.00 N ATOM 1866 CA LEU A 122 6.890 -6.462 1.200 1.00 0.00 C ATOM 1867 C LEU A 122 7.809 -7.501 1.846 1.00 0.00 C ATOM 1868 O LEU A 122 8.904 -7.169 2.299 1.00 0.00 O ATOM 1869 CB LEU A 122 5.518 -6.354 1.870 1.00 0.00 C ATOM 1870 CG LEU A 122 5.321 -5.158 2.804 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.927 -5.178 3.433 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.426 -5.099 3.860 1.00 0.00 C ATOM 0 H LEU A 122 5.804 -7.047 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 122 7.363 -5.489 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.757 -6.310 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.340 -7.267 2.438 1.00 0.00 H new ATOM 0 HG LEU A 122 5.394 -4.246 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.813 -4.318 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.173 -5.136 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.801 -6.095 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.262 -4.240 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.410 -6.013 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.394 -5.002 3.369 1.00 0.00 H new ATOM 1884 N LYS A 123 7.331 -8.736 1.868 1.00 0.00 N ATOM 1885 CA LYS A 123 8.096 -9.825 2.451 1.00 0.00 C ATOM 1886 C LYS A 123 9.552 -9.722 1.993 1.00 0.00 C ATOM 1887 O LYS A 123 10.471 -9.859 2.798 1.00 0.00 O ATOM 1888 CB LYS A 123 7.444 -11.171 2.129 1.00 0.00 C ATOM 1889 CG LYS A 123 5.977 -11.188 2.565 1.00 0.00 C ATOM 1890 CD LYS A 123 5.736 -12.254 3.635 1.00 0.00 C ATOM 1891 CE LYS A 123 5.559 -13.636 3.003 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.814 -14.415 3.099 1.00 0.00 N ATOM 0 H LYS A 123 6.423 -9.007 1.491 1.00 0.00 H new ATOM 0 HA LYS A 123 8.097 -9.750 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 123 7.511 -11.365 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.986 -11.971 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 123 5.698 -10.208 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.340 -11.383 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.576 -12.273 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.849 -11.999 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.753 -14.171 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.269 -13.530 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.613 -15.420 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.493 -14.068 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.219 -14.306 4.051 1.00 0.00 H new ATOM 1906 N PHE A 124 9.716 -9.481 0.700 1.00 0.00 N ATOM 1907 CA PHE A 124 11.045 -9.357 0.125 1.00 0.00 C ATOM 1908 C PHE A 124 11.876 -8.318 0.881 1.00 0.00 C ATOM 1909 O PHE A 124 12.852 -8.663 1.545 1.00 0.00 O ATOM 1910 CB PHE A 124 10.865 -8.894 -1.322 1.00 0.00 C ATOM 1911 CG PHE A 124 12.173 -8.523 -2.024 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.647 -7.251 -1.951 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.861 -9.467 -2.721 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.861 -6.907 -2.602 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.075 -9.123 -3.373 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.550 -7.850 -3.299 1.00 0.00 C ATOM 0 H PHE A 124 8.951 -9.368 0.035 1.00 0.00 H new ATOM 0 HA PHE A 124 11.566 -10.312 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.373 -9.685 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.199 -8.031 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.100 -6.502 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.484 -10.478 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.237 -5.896 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.621 -9.872 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.474 -7.589 -3.794 1.00 0.00 H new ATOM 1926 N VAL A 125 11.457 -7.068 0.756 1.00 0.00 N ATOM 1927 CA VAL A 125 12.150 -5.976 1.419 1.00 0.00 C ATOM 1928 C VAL A 125 12.232 -6.267 2.919 1.00 0.00 C ATOM 1929 O VAL A 125 13.168 -5.832 3.589 1.00 0.00 O ATOM 1930 CB VAL A 125 11.457 -4.649 1.105 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.320 -4.376 2.091 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.462 -3.495 1.094 1.00 0.00 C ATOM 0 H VAL A 125 10.646 -6.786 0.205 1.00 0.00 H new ATOM 0 HA VAL A 125 13.171 -5.890 1.047 1.00 0.00 H new ATOM 0 HB VAL A 125 11.023 -4.726 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.845 -3.427 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.584 -5.177 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 125 10.720 -4.329 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 125 11.944 -2.563 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 125 12.938 -3.418 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.221 -3.681 0.334 1.00 0.00 H new ATOM 1942 N ALA A 126 11.241 -7.001 3.403 1.00 0.00 N ATOM 1943 CA ALA A 126 11.189 -7.355 4.811 1.00 0.00 C ATOM 1944 C ALA A 126 12.324 -8.331 5.129 1.00 0.00 C ATOM 1945 O ALA A 126 13.231 -8.006 5.894 1.00 0.00 O ATOM 1946 CB ALA A 126 9.812 -7.933 5.142 1.00 0.00 C ATOM 0 H ALA A 126 10.467 -7.361 2.844 1.00 0.00 H new ATOM 0 HA ALA A 126 11.329 -6.472 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.773 -8.199 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.044 -7.190 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.636 -8.823 4.538 1.00 0.00 H new ATOM 1952 N SER A 127 12.236 -9.507 4.525 1.00 0.00 N ATOM 1953 CA SER A 127 13.244 -10.532 4.735 1.00 0.00 C ATOM 1954 C SER A 127 14.642 -9.939 4.544 1.00 0.00 C ATOM 1955 O SER A 127 15.552 -10.223 5.321 1.00 0.00 O ATOM 1956 CB SER A 127 13.035 -11.713 3.784 1.00 0.00 C ATOM 1957 OG SER A 127 13.480 -12.941 4.353 1.00 0.00 O ATOM 0 H SER A 127 11.483 -9.773 3.891 1.00 0.00 H new ATOM 0 HA SER A 127 13.149 -10.901 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.978 -11.792 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.572 -11.529 2.854 1.00 0.00 H new ATOM 0 HG SER A 127 13.328 -13.671 3.716 1.00 0.00 H new