USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 670 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.41) USER MOD Single : A 28 GLN : amide:sc= -0.735 X(o=-0.74,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.167 K(o=-0.17,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 70:sc= 1.24 USER MOD Single : A 46 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc=-0.00224 (180deg=-0.179) USER MOD Single : A 54 GLN : amide:sc=-0.00578 X(o=-0.0058,f=-0.21) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.5!) USER MOD Single : A 83 MET CE :methyl -119:sc= -2.54! (180deg=-4.66!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= -0.541 (180deg=-2.48!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.301 -1.792 8.247 1.00 0.00 N ATOM 152 CA TRP A 14 -1.062 -1.028 8.348 1.00 0.00 C ATOM 153 C TRP A 14 -1.181 0.064 9.404 1.00 0.00 C ATOM 154 O TRP A 14 -0.222 0.353 10.120 1.00 0.00 O ATOM 155 CB TRP A 14 -0.709 -0.410 6.994 1.00 0.00 C ATOM 156 CG TRP A 14 -1.835 0.368 6.384 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.732 -0.080 5.457 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.183 1.730 6.656 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.617 0.921 5.136 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.302 2.041 5.859 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.660 2.715 7.497 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.904 3.297 5.880 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.258 3.961 7.516 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.371 4.243 6.712 1.00 0.00 C ATOM 0 HA TRP A 14 -0.266 -1.710 8.647 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.152 0.247 7.116 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.411 -1.203 6.308 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.744 -1.075 5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.384 0.843 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.804 2.507 8.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.761 3.516 5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.861 4.731 8.161 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.816 5.226 6.750 1.00 0.00 H new ATOM 175 N GLU A 15 -2.362 0.668 9.496 1.00 0.00 N ATOM 176 CA GLU A 15 -2.603 1.729 10.466 1.00 0.00 C ATOM 177 C GLU A 15 -2.142 1.308 11.859 1.00 0.00 C ATOM 178 O GLU A 15 -1.841 2.150 12.706 1.00 0.00 O ATOM 179 CB GLU A 15 -4.089 2.094 10.497 1.00 0.00 C ATOM 180 CG GLU A 15 -4.973 0.996 11.064 1.00 0.00 C ATOM 181 CD GLU A 15 -6.384 1.040 10.509 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.547 0.843 9.287 1.00 0.00 O ATOM 183 OE2 GLU A 15 -7.325 1.271 11.297 1.00 0.00 O ATOM 0 H GLU A 15 -3.166 0.441 8.911 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.028 2.603 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.220 2.998 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.418 2.328 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.529 0.026 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.010 1.088 12.149 1.00 0.00 H new ATOM 190 N LEU A 16 -2.091 0.001 12.089 1.00 0.00 N ATOM 191 CA LEU A 16 -1.667 -0.533 13.379 1.00 0.00 C ATOM 192 C LEU A 16 -0.190 -0.248 13.628 1.00 0.00 C ATOM 193 O LEU A 16 0.224 -0.020 14.764 1.00 0.00 O ATOM 194 CB LEU A 16 -1.925 -2.040 13.438 1.00 0.00 C ATOM 195 CG LEU A 16 -3.389 -2.467 13.548 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.540 -3.944 13.222 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.929 -2.168 14.939 1.00 0.00 C ATOM 0 H LEU A 16 -2.338 -0.709 11.399 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.249 -0.040 14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.501 -2.496 12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.383 -2.448 14.291 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.970 -1.895 12.824 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.589 -4.230 13.306 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.193 -4.130 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.947 -4.533 13.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.972 -2.478 14.999 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.345 -2.713 15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.857 -1.098 15.135 1.00 0.00 H new ATOM 209 N GLN A 17 0.599 -0.260 12.558 1.00 0.00 N ATOM 210 CA GLN A 17 2.030 -0.001 12.661 1.00 0.00 C ATOM 211 C GLN A 17 2.311 1.497 12.690 1.00 0.00 C ATOM 212 O GLN A 17 3.203 1.957 13.404 1.00 0.00 O ATOM 213 CB GLN A 17 2.772 -0.649 11.491 1.00 0.00 C ATOM 214 CG GLN A 17 2.525 -2.144 11.366 1.00 0.00 C ATOM 215 CD GLN A 17 3.527 -2.828 10.458 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.547 -2.595 9.249 1.00 0.00 O ATOM 217 NE2 GLN A 17 4.368 -3.677 11.037 1.00 0.00 N ATOM 0 H GLN A 17 0.271 -0.446 11.610 1.00 0.00 H new ATOM 0 HA GLN A 17 2.387 -0.437 13.594 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.469 -0.161 10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.841 -0.475 11.609 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.568 -2.599 12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.519 -2.311 10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.316 -3.840 12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.066 -4.166 10.476 1.00 0.00 H new ATOM 226 N ILE A 18 1.546 2.253 11.910 1.00 0.00 N ATOM 227 CA ILE A 18 1.713 3.700 11.847 1.00 0.00 C ATOM 228 C ILE A 18 1.164 4.371 13.101 1.00 0.00 C ATOM 229 O ILE A 18 0.039 4.101 13.521 1.00 0.00 O ATOM 230 CB ILE A 18 1.011 4.294 10.612 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.674 5.613 10.207 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.469 4.503 10.893 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.912 6.370 9.142 1.00 0.00 C ATOM 0 H ILE A 18 0.804 1.888 11.313 1.00 0.00 H new ATOM 0 HA ILE A 18 2.784 3.892 11.774 1.00 0.00 H new ATOM 0 HB ILE A 18 1.107 3.591 9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.775 6.245 11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.681 5.408 9.845 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.951 4.923 10.010 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.931 3.547 11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.587 5.189 11.732 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.440 7.294 8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.834 5.756 8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.087 6.607 9.508 1.00 0.00 H new ATOM 245 N SER A 19 1.967 5.249 13.695 1.00 0.00 N ATOM 246 CA SER A 19 1.563 5.959 14.903 1.00 0.00 C ATOM 247 C SER A 19 0.151 6.519 14.758 1.00 0.00 C ATOM 248 O SER A 19 -0.376 6.664 13.655 1.00 0.00 O ATOM 249 CB SER A 19 2.545 7.092 15.207 1.00 0.00 C ATOM 250 OG SER A 19 3.602 6.642 16.037 1.00 0.00 O ATOM 0 H SER A 19 2.901 5.485 13.359 1.00 0.00 H new ATOM 0 HA SER A 19 1.570 5.250 15.731 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.952 7.484 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.019 7.912 15.695 1.00 0.00 H new ATOM 0 HG SER A 19 4.217 7.384 16.215 1.00 0.00 H new ATOM 256 N PRO A 20 -0.477 6.842 15.898 1.00 0.00 N ATOM 257 CA PRO A 20 -1.835 7.392 15.926 1.00 0.00 C ATOM 258 C PRO A 20 -1.896 8.813 15.375 1.00 0.00 C ATOM 259 O PRO A 20 -2.898 9.217 14.786 1.00 0.00 O ATOM 260 CB PRO A 20 -2.193 7.380 17.414 1.00 0.00 C ATOM 261 CG PRO A 20 -0.882 7.441 18.119 1.00 0.00 C ATOM 262 CD PRO A 20 0.092 6.696 17.249 1.00 0.00 C ATOM 0 HA PRO A 20 -2.521 6.816 15.304 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.824 8.229 17.676 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.745 6.479 17.681 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.565 8.474 18.264 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.949 6.986 19.107 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.094 7.121 17.311 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.172 5.649 17.541 1.00 0.00 H new ATOM 270 N GLU A 21 -0.818 9.566 15.570 1.00 0.00 N ATOM 271 CA GLU A 21 -0.751 10.942 15.092 1.00 0.00 C ATOM 272 C GLU A 21 -0.457 10.984 13.595 1.00 0.00 C ATOM 273 O GLU A 21 -0.820 11.939 12.906 1.00 0.00 O ATOM 274 CB GLU A 21 0.323 11.719 15.856 1.00 0.00 C ATOM 275 CG GLU A 21 -0.022 11.958 17.316 1.00 0.00 C ATOM 276 CD GLU A 21 0.687 13.168 17.893 1.00 0.00 C ATOM 277 OE1 GLU A 21 0.282 14.303 17.567 1.00 0.00 O ATOM 278 OE2 GLU A 21 1.647 12.980 18.669 1.00 0.00 O ATOM 0 H GLU A 21 0.020 9.247 16.055 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.720 11.408 15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.265 11.173 15.799 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.481 12.680 15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.099 12.092 17.414 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.243 11.075 17.897 1.00 0.00 H new ATOM 285 N LEU A 22 0.203 9.944 13.098 1.00 0.00 N ATOM 286 CA LEU A 22 0.548 9.861 11.683 1.00 0.00 C ATOM 287 C LEU A 22 -0.688 9.569 10.838 1.00 0.00 C ATOM 288 O LEU A 22 -0.833 10.089 9.731 1.00 0.00 O ATOM 289 CB LEU A 22 1.602 8.776 11.457 1.00 0.00 C ATOM 290 CG LEU A 22 3.051 9.182 11.724 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.648 9.865 10.503 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.135 10.093 12.940 1.00 0.00 C ATOM 0 H LEU A 22 0.510 9.146 13.654 1.00 0.00 H new ATOM 0 HA LEU A 22 0.956 10.824 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.361 7.925 12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.526 8.433 10.425 1.00 0.00 H new ATOM 0 HG LEU A 22 3.628 8.280 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.680 10.147 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.623 9.181 9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.069 10.758 10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.174 10.372 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.543 10.991 12.763 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.748 9.570 13.814 1.00 0.00 H new ATOM 304 N LEU A 23 -1.578 8.737 11.368 1.00 0.00 N ATOM 305 CA LEU A 23 -2.804 8.378 10.664 1.00 0.00 C ATOM 306 C LEU A 23 -3.677 9.606 10.428 1.00 0.00 C ATOM 307 O LEU A 23 -3.975 9.959 9.288 1.00 0.00 O ATOM 308 CB LEU A 23 -3.583 7.329 11.459 1.00 0.00 C ATOM 309 CG LEU A 23 -4.936 6.915 10.878 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.756 6.275 9.510 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.653 5.962 11.824 1.00 0.00 C ATOM 0 H LEU A 23 -1.473 8.298 12.283 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.528 7.960 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.962 6.438 11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.745 7.712 12.467 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.549 7.809 10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.729 5.987 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.284 6.988 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.125 5.391 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.614 5.678 11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.044 5.070 11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.815 6.455 12.783 1.00 0.00 H new ATOM 323 N ALA A 24 -4.081 10.255 11.515 1.00 0.00 N ATOM 324 CA ALA A 24 -4.916 11.447 11.427 1.00 0.00 C ATOM 325 C ALA A 24 -4.229 12.540 10.615 1.00 0.00 C ATOM 326 O ALA A 24 -4.829 13.129 9.715 1.00 0.00 O ATOM 327 CB ALA A 24 -5.258 11.957 12.819 1.00 0.00 C ATOM 0 H ALA A 24 -3.844 9.976 12.467 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.839 11.176 10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.882 12.847 12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.798 11.185 13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.340 12.205 13.351 1.00 0.00 H new ATOM 333 N HIS A 25 -2.968 12.806 10.939 1.00 0.00 N ATOM 334 CA HIS A 25 -2.199 13.829 10.239 1.00 0.00 C ATOM 335 C HIS A 25 -2.196 13.573 8.735 1.00 0.00 C ATOM 336 O HIS A 25 -2.375 14.493 7.938 1.00 0.00 O ATOM 337 CB HIS A 25 -0.763 13.867 10.764 1.00 0.00 C ATOM 338 CG HIS A 25 0.169 14.663 9.904 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.167 15.886 9.361 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.433 14.407 9.494 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.849 16.346 8.654 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.833 15.467 8.719 1.00 0.00 N ATOM 0 H HIS A 25 -2.457 12.328 11.681 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.672 14.793 10.425 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.764 14.287 11.770 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.387 12.847 10.845 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.018 13.531 9.732 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.872 17.281 8.115 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.742 15.561 8.267 1.00 0.00 H new ATOM 351 N GLY A 26 -1.990 12.316 8.354 1.00 0.00 N ATOM 352 CA GLY A 26 -1.967 11.961 6.947 1.00 0.00 C ATOM 353 C GLY A 26 -3.334 12.064 6.300 1.00 0.00 C ATOM 354 O GLY A 26 -3.488 12.694 5.254 1.00 0.00 O ATOM 0 H GLY A 26 -1.839 11.537 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.270 12.614 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.593 10.943 6.839 1.00 0.00 H new ATOM 358 N ARG A 27 -4.330 11.442 6.923 1.00 0.00 N ATOM 359 CA ARG A 27 -5.691 11.464 6.400 1.00 0.00 C ATOM 360 C ARG A 27 -6.143 12.894 6.121 1.00 0.00 C ATOM 361 O ARG A 27 -6.536 13.223 5.003 1.00 0.00 O ATOM 362 CB ARG A 27 -6.650 10.798 7.388 1.00 0.00 C ATOM 363 CG ARG A 27 -6.601 9.279 7.356 1.00 0.00 C ATOM 364 CD ARG A 27 -7.499 8.669 8.421 1.00 0.00 C ATOM 365 NE ARG A 27 -8.913 8.914 8.149 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.901 8.308 8.798 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.631 7.427 9.752 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.163 8.584 8.494 1.00 0.00 N ATOM 0 H ARG A 27 -4.220 10.917 7.790 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.702 10.908 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.414 11.139 8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.667 11.125 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.909 8.925 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.575 8.944 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.321 7.595 8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.240 9.084 9.395 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.155 9.587 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.662 7.213 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.392 6.963 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.375 9.262 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.921 8.118 8.993 1.00 0.00 H new ATOM 382 N GLN A 28 -6.085 13.738 7.147 1.00 0.00 N ATOM 383 CA GLN A 28 -6.490 15.133 7.011 1.00 0.00 C ATOM 384 C GLN A 28 -5.773 15.797 5.840 1.00 0.00 C ATOM 385 O GLN A 28 -6.403 16.412 4.980 1.00 0.00 O ATOM 386 CB GLN A 28 -6.199 15.898 8.303 1.00 0.00 C ATOM 387 CG GLN A 28 -7.050 17.145 8.477 1.00 0.00 C ATOM 388 CD GLN A 28 -8.526 16.830 8.616 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.936 16.115 9.531 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.334 17.362 7.707 1.00 0.00 N ATOM 0 H GLN A 28 -5.762 13.481 8.080 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.562 15.157 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.363 15.235 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.147 16.181 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.714 17.689 9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.902 17.803 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.951 17.949 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.337 17.184 7.750 1.00 0.00 H new ATOM 399 N LYS A 29 -4.450 15.668 5.813 1.00 0.00 N ATOM 400 CA LYS A 29 -3.646 16.255 4.748 1.00 0.00 C ATOM 401 C LYS A 29 -4.172 15.839 3.378 1.00 0.00 C ATOM 402 O LYS A 29 -4.436 16.684 2.522 1.00 0.00 O ATOM 403 CB LYS A 29 -2.183 15.832 4.894 1.00 0.00 C ATOM 404 CG LYS A 29 -1.358 16.779 5.749 1.00 0.00 C ATOM 405 CD LYS A 29 0.100 16.789 5.323 1.00 0.00 C ATOM 406 CE LYS A 29 0.289 17.515 4.000 1.00 0.00 C ATOM 407 NZ LYS A 29 0.436 18.985 4.190 1.00 0.00 N ATOM 0 H LYS A 29 -3.913 15.162 6.517 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.714 17.340 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.144 14.834 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.733 15.764 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.766 17.787 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.430 16.482 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.702 17.271 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.461 15.764 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.172 17.124 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.564 17.316 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.563 19.444 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.417 19.363 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.265 19.177 4.788 1.00 0.00 H new ATOM 421 N ILE A 30 -4.322 14.534 3.178 1.00 0.00 N ATOM 422 CA ILE A 30 -4.819 14.008 1.912 1.00 0.00 C ATOM 423 C ILE A 30 -6.211 14.547 1.601 1.00 0.00 C ATOM 424 O ILE A 30 -6.543 14.811 0.445 1.00 0.00 O ATOM 425 CB ILE A 30 -4.867 12.469 1.922 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.455 11.892 1.803 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.751 11.959 0.794 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.412 10.381 1.867 1.00 0.00 C ATOM 0 H ILE A 30 -4.107 13.822 3.876 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.124 14.337 1.139 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.295 12.140 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.015 12.220 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.836 12.299 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.775 10.869 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.762 12.346 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.351 12.295 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.380 10.042 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.822 10.045 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.003 9.965 1.051 1.00 0.00 H new ATOM 440 N LEU A 31 -7.022 14.710 2.641 1.00 0.00 N ATOM 441 CA LEU A 31 -8.379 15.221 2.480 1.00 0.00 C ATOM 442 C LEU A 31 -8.367 16.618 1.869 1.00 0.00 C ATOM 443 O LEU A 31 -8.905 16.837 0.784 1.00 0.00 O ATOM 444 CB LEU A 31 -9.098 15.248 3.830 1.00 0.00 C ATOM 445 CG LEU A 31 -10.564 15.680 3.801 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.445 14.546 3.300 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.013 16.137 5.181 1.00 0.00 C ATOM 0 H LEU A 31 -6.764 14.496 3.604 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.914 14.554 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.042 14.252 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.555 15.920 4.495 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.662 16.520 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.485 14.872 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.139 14.266 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.343 13.686 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.059 16.441 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.900 15.317 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.402 16.981 5.501 1.00 0.00 H new ATOM 459 N ASP A 32 -7.747 17.560 2.572 1.00 0.00 N ATOM 460 CA ASP A 32 -7.661 18.936 2.097 1.00 0.00 C ATOM 461 C ASP A 32 -7.379 18.977 0.599 1.00 0.00 C ATOM 462 O ASP A 32 -7.828 19.884 -0.104 1.00 0.00 O ATOM 463 CB ASP A 32 -6.570 19.693 2.856 1.00 0.00 C ATOM 464 CG ASP A 32 -6.660 21.193 2.657 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.078 21.697 1.674 1.00 0.00 O ATOM 466 OD2 ASP A 32 -7.313 21.862 3.484 1.00 0.00 O ATOM 0 H ASP A 32 -7.297 17.396 3.472 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.621 19.418 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.647 19.465 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.592 19.344 2.525 1.00 0.00 H new ATOM 471 N LEU A 33 -6.631 17.991 0.116 1.00 0.00 N ATOM 472 CA LEU A 33 -6.287 17.915 -1.300 1.00 0.00 C ATOM 473 C LEU A 33 -7.481 17.448 -2.126 1.00 0.00 C ATOM 474 O LEU A 33 -7.726 17.952 -3.223 1.00 0.00 O ATOM 475 CB LEU A 33 -5.105 16.966 -1.507 1.00 0.00 C ATOM 476 CG LEU A 33 -4.732 16.667 -2.960 1.00 0.00 C ATOM 477 CD1 LEU A 33 -4.181 17.912 -3.636 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.723 15.530 -3.027 1.00 0.00 C ATOM 0 H LEU A 33 -6.251 17.233 0.684 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.006 18.913 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.233 17.389 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.330 16.023 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.633 16.359 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.921 17.680 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.935 18.699 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.291 18.251 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.469 15.330 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.822 15.810 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.154 14.634 -2.581 1.00 0.00 H new ATOM 490 N LEU A 34 -8.221 16.483 -1.592 1.00 0.00 N ATOM 491 CA LEU A 34 -9.392 15.948 -2.279 1.00 0.00 C ATOM 492 C LEU A 34 -10.499 16.994 -2.364 1.00 0.00 C ATOM 493 O LEU A 34 -11.442 16.852 -3.140 1.00 0.00 O ATOM 494 CB LEU A 34 -9.907 14.702 -1.556 1.00 0.00 C ATOM 495 CG LEU A 34 -8.896 13.571 -1.364 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.334 12.649 -0.237 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.719 12.789 -2.658 1.00 0.00 C ATOM 0 H LEU A 34 -8.031 16.055 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.095 15.676 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.277 15.002 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.759 14.310 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.935 14.010 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.602 11.850 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.408 13.217 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.306 12.217 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.996 11.988 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.676 12.361 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.358 13.457 -3.440 1.00 0.00 H new ATOM 509 N ASN A 35 -10.374 18.046 -1.561 1.00 0.00 N ATOM 510 CA ASN A 35 -11.363 19.118 -1.547 1.00 0.00 C ATOM 511 C ASN A 35 -10.858 20.335 -2.317 1.00 0.00 C ATOM 512 O ASN A 35 -11.573 20.898 -3.144 1.00 0.00 O ATOM 513 CB ASN A 35 -11.697 19.514 -0.107 1.00 0.00 C ATOM 514 CG ASN A 35 -12.815 18.673 0.479 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.679 18.178 -0.245 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.802 18.509 1.797 1.00 0.00 N ATOM 0 H ASN A 35 -9.598 18.179 -0.912 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.266 18.751 -2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.806 19.410 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.984 20.565 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.528 17.954 2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.066 18.938 2.357 1.00 0.00 H new ATOM 523 N GLU A 36 -9.621 20.733 -2.037 1.00 0.00 N ATOM 524 CA GLU A 36 -9.020 21.883 -2.703 1.00 0.00 C ATOM 525 C GLU A 36 -8.271 21.453 -3.960 1.00 0.00 C ATOM 526 O GLU A 36 -8.299 22.142 -4.979 1.00 0.00 O ATOM 527 CB GLU A 36 -8.068 22.611 -1.752 1.00 0.00 C ATOM 528 CG GLU A 36 -8.710 23.007 -0.433 1.00 0.00 C ATOM 529 CD GLU A 36 -7.883 24.016 0.339 1.00 0.00 C ATOM 530 OE1 GLU A 36 -7.094 24.747 -0.297 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.023 24.076 1.578 1.00 0.00 O ATOM 0 H GLU A 36 -9.016 20.277 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.821 22.562 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.209 21.971 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.689 23.506 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.698 23.424 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.853 22.116 0.179 1.00 0.00 H new ATOM 538 N GLY A 37 -7.599 20.308 -3.880 1.00 0.00 N ATOM 539 CA GLY A 37 -6.850 19.806 -5.017 1.00 0.00 C ATOM 540 C GLY A 37 -7.749 19.379 -6.160 1.00 0.00 C ATOM 541 O GLY A 37 -8.856 18.889 -5.939 1.00 0.00 O ATOM 0 H GLY A 37 -7.560 19.719 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.165 20.578 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.241 18.959 -4.702 1.00 0.00 H new ATOM 545 N SER A 38 -7.273 19.567 -7.387 1.00 0.00 N ATOM 546 CA SER A 38 -8.044 19.203 -8.570 1.00 0.00 C ATOM 547 C SER A 38 -7.536 17.895 -9.168 1.00 0.00 C ATOM 548 O SER A 38 -6.630 17.262 -8.626 1.00 0.00 O ATOM 549 CB SER A 38 -7.970 20.317 -9.616 1.00 0.00 C ATOM 550 OG SER A 38 -8.673 21.470 -9.184 1.00 0.00 O ATOM 0 H SER A 38 -6.357 19.969 -7.588 1.00 0.00 H new ATOM 0 HA SER A 38 -9.082 19.066 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.928 20.573 -9.806 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.389 19.964 -10.558 1.00 0.00 H new ATOM 0 HG SER A 38 -8.609 22.168 -9.869 1.00 0.00 H new ATOM 556 N ALA A 39 -8.128 17.495 -10.288 1.00 0.00 N ATOM 557 CA ALA A 39 -7.735 16.263 -10.962 1.00 0.00 C ATOM 558 C ALA A 39 -6.218 16.157 -11.071 1.00 0.00 C ATOM 559 O ALA A 39 -5.596 15.319 -10.417 1.00 0.00 O ATOM 560 CB ALA A 39 -8.372 16.190 -12.342 1.00 0.00 C ATOM 0 H ALA A 39 -8.882 18.006 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.090 15.422 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.070 15.265 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.457 16.211 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.046 17.042 -12.939 1.00 0.00 H new ATOM 566 N ARG A 40 -5.628 17.009 -11.903 1.00 0.00 N ATOM 567 CA ARG A 40 -4.183 17.009 -12.099 1.00 0.00 C ATOM 568 C ARG A 40 -3.453 17.062 -10.760 1.00 0.00 C ATOM 569 O ARG A 40 -2.345 16.543 -10.626 1.00 0.00 O ATOM 570 CB ARG A 40 -3.765 18.198 -12.966 1.00 0.00 C ATOM 571 CG ARG A 40 -4.484 18.258 -14.304 1.00 0.00 C ATOM 572 CD ARG A 40 -3.896 17.269 -15.298 1.00 0.00 C ATOM 573 NE ARG A 40 -4.450 17.443 -16.638 1.00 0.00 N ATOM 574 CZ ARG A 40 -5.646 16.995 -17.002 1.00 0.00 C ATOM 575 NH1 ARG A 40 -6.409 16.349 -16.132 1.00 0.00 N ATOM 576 NH2 ARG A 40 -6.081 17.193 -18.240 1.00 0.00 N ATOM 0 H ARG A 40 -6.128 17.708 -12.452 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.910 16.084 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.956 19.121 -12.419 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.690 18.148 -13.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.543 18.044 -14.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.416 19.267 -14.710 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.814 17.392 -15.335 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.089 16.253 -14.955 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.888 17.935 -17.332 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.078 16.195 -15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.327 16.006 -16.415 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.497 17.690 -18.913 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.000 16.849 -18.519 1.00 0.00 H new ATOM 590 N ASP A 41 -4.081 17.691 -9.773 1.00 0.00 N ATOM 591 CA ASP A 41 -3.492 17.811 -8.445 1.00 0.00 C ATOM 592 C ASP A 41 -3.555 16.481 -7.701 1.00 0.00 C ATOM 593 O ASP A 41 -2.723 16.200 -6.837 1.00 0.00 O ATOM 594 CB ASP A 41 -4.211 18.895 -7.640 1.00 0.00 C ATOM 595 CG ASP A 41 -3.336 19.485 -6.552 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.304 18.864 -6.219 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.682 20.566 -6.032 1.00 0.00 O ATOM 0 H ASP A 41 -4.999 18.126 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.445 18.092 -8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.534 19.689 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.110 18.473 -7.190 1.00 0.00 H new ATOM 602 N LEU A 42 -4.547 15.666 -8.040 1.00 0.00 N ATOM 603 CA LEU A 42 -4.720 14.365 -7.403 1.00 0.00 C ATOM 604 C LEU A 42 -3.903 13.295 -8.119 1.00 0.00 C ATOM 605 O LEU A 42 -3.272 12.451 -7.482 1.00 0.00 O ATOM 606 CB LEU A 42 -6.199 13.972 -7.394 1.00 0.00 C ATOM 607 CG LEU A 42 -7.133 14.893 -6.609 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.580 14.657 -7.014 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.955 14.683 -5.112 1.00 0.00 C ATOM 0 H LEU A 42 -5.244 15.883 -8.752 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.364 14.441 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.549 13.927 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.284 12.966 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.875 15.926 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.230 15.321 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.697 14.859 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.851 13.621 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.628 15.347 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.185 13.648 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.925 14.904 -4.834 1.00 0.00 H new ATOM 621 N ARG A 43 -3.916 13.337 -9.448 1.00 0.00 N ATOM 622 CA ARG A 43 -3.175 12.372 -10.250 1.00 0.00 C ATOM 623 C ARG A 43 -1.685 12.426 -9.927 1.00 0.00 C ATOM 624 O ARG A 43 -0.940 11.494 -10.229 1.00 0.00 O ATOM 625 CB ARG A 43 -3.395 12.640 -11.740 1.00 0.00 C ATOM 626 CG ARG A 43 -2.396 13.618 -12.337 1.00 0.00 C ATOM 627 CD ARG A 43 -2.575 13.747 -13.842 1.00 0.00 C ATOM 628 NE ARG A 43 -1.358 14.220 -14.498 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.287 13.460 -14.695 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.281 12.198 -14.288 1.00 0.00 N ATOM 631 NH2 ARG A 43 0.782 13.961 -15.300 1.00 0.00 N ATOM 0 H ARG A 43 -4.432 14.029 -9.991 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.545 11.376 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.336 11.697 -12.283 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.403 13.029 -11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.518 14.595 -11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.382 13.284 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.859 12.780 -14.258 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.392 14.437 -14.052 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.330 15.187 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.101 11.808 -13.822 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.543 11.617 -14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.782 14.931 -15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.604 13.376 -15.451 1.00 0.00 H new ATOM 645 N SER A 44 -1.258 13.524 -9.313 1.00 0.00 N ATOM 646 CA SER A 44 0.144 13.703 -8.953 1.00 0.00 C ATOM 647 C SER A 44 0.541 12.753 -7.827 1.00 0.00 C ATOM 648 O SER A 44 1.697 12.342 -7.723 1.00 0.00 O ATOM 649 CB SER A 44 0.404 15.150 -8.529 1.00 0.00 C ATOM 650 OG SER A 44 0.051 16.054 -9.562 1.00 0.00 O ATOM 0 H SER A 44 -1.863 14.304 -9.054 1.00 0.00 H new ATOM 0 HA SER A 44 0.750 13.474 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.169 15.378 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.457 15.275 -8.276 1.00 0.00 H new ATOM 0 HG SER A 44 -0.924 16.071 -9.663 1.00 0.00 H new ATOM 656 N LEU A 45 -0.427 12.408 -6.984 1.00 0.00 N ATOM 657 CA LEU A 45 -0.180 11.506 -5.864 1.00 0.00 C ATOM 658 C LEU A 45 0.260 10.132 -6.358 1.00 0.00 C ATOM 659 O LEU A 45 0.452 9.925 -7.556 1.00 0.00 O ATOM 660 CB LEU A 45 -1.439 11.372 -5.005 1.00 0.00 C ATOM 661 CG LEU A 45 -1.741 12.543 -4.070 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.206 12.536 -3.662 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.843 12.491 -2.843 1.00 0.00 C ATOM 0 H LEU A 45 -1.389 12.739 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 45 0.623 11.928 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.293 11.232 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.350 10.467 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.539 13.471 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.402 13.377 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.832 12.623 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.436 11.604 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.072 13.332 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.013 11.557 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.200 12.546 -3.153 1.00 0.00 H new ATOM 675 N GLN A 46 0.417 9.196 -5.428 1.00 0.00 N ATOM 676 CA GLN A 46 0.834 7.841 -5.770 1.00 0.00 C ATOM 677 C GLN A 46 -0.352 6.882 -5.736 1.00 0.00 C ATOM 678 O GLN A 46 -1.190 6.948 -4.837 1.00 0.00 O ATOM 679 CB GLN A 46 1.921 7.361 -4.807 1.00 0.00 C ATOM 680 CG GLN A 46 3.211 8.159 -4.899 1.00 0.00 C ATOM 681 CD GLN A 46 3.957 7.915 -6.196 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.510 8.322 -7.269 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.101 7.247 -6.105 1.00 0.00 N ATOM 0 H GLN A 46 0.262 9.351 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 46 1.237 7.856 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.541 7.417 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.137 6.312 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.984 9.221 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.855 7.899 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.434 6.928 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.646 7.053 -6.945 1.00 0.00 H new ATOM 692 N ARG A 47 -0.416 5.993 -6.722 1.00 0.00 N ATOM 693 CA ARG A 47 -1.500 5.022 -6.805 1.00 0.00 C ATOM 694 C ARG A 47 -2.839 5.719 -7.024 1.00 0.00 C ATOM 695 O ARG A 47 -3.828 5.406 -6.361 1.00 0.00 O ATOM 696 CB ARG A 47 -1.555 4.176 -5.531 1.00 0.00 C ATOM 697 CG ARG A 47 -0.232 3.515 -5.182 1.00 0.00 C ATOM 698 CD ARG A 47 -0.443 2.201 -4.445 1.00 0.00 C ATOM 699 NE ARG A 47 -0.502 2.389 -2.998 1.00 0.00 N ATOM 700 CZ ARG A 47 0.573 2.438 -2.219 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.784 2.315 -2.746 1.00 0.00 N ATOM 702 NH2 ARG A 47 0.439 2.611 -0.910 1.00 0.00 N ATOM 0 H ARG A 47 0.270 5.925 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.306 4.371 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.867 4.807 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.317 3.405 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.338 3.335 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.361 4.189 -4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.368 1.737 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.368 1.514 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.419 2.488 -2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.892 2.182 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.608 2.353 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.490 2.707 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.265 2.648 -0.313 1.00 0.00 H new ATOM 716 N ILE A 48 -2.862 6.665 -7.957 1.00 0.00 N ATOM 717 CA ILE A 48 -4.080 7.406 -8.263 1.00 0.00 C ATOM 718 C ILE A 48 -4.353 7.419 -9.763 1.00 0.00 C ATOM 719 O ILE A 48 -5.235 6.714 -10.251 1.00 0.00 O ATOM 720 CB ILE A 48 -3.998 8.857 -7.754 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.769 8.878 -6.242 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.267 9.616 -8.113 1.00 0.00 C ATOM 723 CD1 ILE A 48 -4.780 8.065 -5.465 1.00 0.00 C ATOM 0 H ILE A 48 -2.052 6.936 -8.514 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.897 6.896 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.154 9.349 -8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.770 8.499 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.799 9.910 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.194 10.640 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.391 9.626 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.126 9.127 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.555 8.126 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.780 8.458 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.734 7.024 -5.786 1.00 0.00 H new ATOM 735 N GLY A 49 -3.587 8.226 -10.491 1.00 0.00 N ATOM 736 CA GLY A 49 -3.760 8.315 -11.929 1.00 0.00 C ATOM 737 C GLY A 49 -4.542 9.546 -12.344 1.00 0.00 C ATOM 738 O GLY A 49 -5.168 10.216 -11.522 1.00 0.00 O ATOM 0 H GLY A 49 -2.850 8.820 -10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.782 8.331 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.276 7.423 -12.286 1.00 0.00 H new ATOM 742 N PRO A 50 -4.510 9.861 -13.647 1.00 0.00 N ATOM 743 CA PRO A 50 -5.214 11.022 -14.199 1.00 0.00 C ATOM 744 C PRO A 50 -6.729 10.844 -14.179 1.00 0.00 C ATOM 745 O PRO A 50 -7.479 11.820 -14.132 1.00 0.00 O ATOM 746 CB PRO A 50 -4.704 11.096 -15.640 1.00 0.00 C ATOM 747 CG PRO A 50 -4.292 9.702 -15.967 1.00 0.00 C ATOM 748 CD PRO A 50 -3.783 9.108 -14.683 1.00 0.00 C ATOM 0 HA PRO A 50 -5.025 11.926 -13.619 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.482 11.448 -16.318 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.866 11.788 -15.729 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.133 9.128 -16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.518 9.694 -16.734 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.991 8.040 -14.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.704 9.228 -14.585 1.00 0.00 H new ATOM 756 N LYS A 51 -7.173 9.593 -14.214 1.00 0.00 N ATOM 757 CA LYS A 51 -8.599 9.286 -14.198 1.00 0.00 C ATOM 758 C LYS A 51 -9.148 9.324 -12.775 1.00 0.00 C ATOM 759 O LYS A 51 -9.911 10.220 -12.417 1.00 0.00 O ATOM 760 CB LYS A 51 -8.852 7.909 -14.817 1.00 0.00 C ATOM 761 CG LYS A 51 -10.325 7.583 -14.992 1.00 0.00 C ATOM 762 CD LYS A 51 -10.845 8.059 -16.338 1.00 0.00 C ATOM 763 CE LYS A 51 -12.134 7.347 -16.720 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.761 7.947 -17.930 1.00 0.00 N ATOM 0 H LYS A 51 -6.566 8.774 -14.254 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.115 10.043 -14.788 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.360 7.860 -15.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.392 7.147 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.473 6.507 -14.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.900 8.051 -14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.019 9.134 -16.303 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.090 7.883 -17.104 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.926 6.293 -16.904 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.835 7.393 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.637 7.434 -18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.983 8.946 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.102 7.880 -18.732 1.00 0.00 H new ATOM 778 N LYS A 52 -8.753 8.346 -11.968 1.00 0.00 N ATOM 779 CA LYS A 52 -9.202 8.268 -10.583 1.00 0.00 C ATOM 780 C LYS A 52 -9.084 9.625 -9.895 1.00 0.00 C ATOM 781 O LYS A 52 -9.832 9.928 -8.966 1.00 0.00 O ATOM 782 CB LYS A 52 -8.386 7.224 -9.818 1.00 0.00 C ATOM 783 CG LYS A 52 -8.932 5.812 -9.946 1.00 0.00 C ATOM 784 CD LYS A 52 -8.099 4.818 -9.155 1.00 0.00 C ATOM 785 CE LYS A 52 -8.495 3.384 -9.469 1.00 0.00 C ATOM 786 NZ LYS A 52 -8.098 2.988 -10.849 1.00 0.00 N ATOM 0 H LYS A 52 -8.122 7.595 -12.249 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.251 7.971 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.358 7.241 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.357 7.499 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.963 5.786 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.947 5.521 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.043 4.963 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.223 5.005 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.027 2.712 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.573 3.272 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.149 1.953 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.743 3.429 -11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.125 3.305 -11.035 1.00 0.00 H new ATOM 800 N ALA A 53 -8.140 10.438 -10.359 1.00 0.00 N ATOM 801 CA ALA A 53 -7.927 11.763 -9.791 1.00 0.00 C ATOM 802 C ALA A 53 -9.134 12.664 -10.031 1.00 0.00 C ATOM 803 O ALA A 53 -9.676 13.250 -9.095 1.00 0.00 O ATOM 804 CB ALA A 53 -6.671 12.392 -10.376 1.00 0.00 C ATOM 0 H ALA A 53 -7.511 10.202 -11.127 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.797 11.653 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.524 13.381 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.810 11.764 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.778 12.481 -11.457 1.00 0.00 H new ATOM 810 N GLN A 54 -9.547 12.769 -11.290 1.00 0.00 N ATOM 811 CA GLN A 54 -10.689 13.600 -11.652 1.00 0.00 C ATOM 812 C GLN A 54 -11.989 12.994 -11.133 1.00 0.00 C ATOM 813 O GLN A 54 -12.892 13.712 -10.703 1.00 0.00 O ATOM 814 CB GLN A 54 -10.762 13.771 -13.170 1.00 0.00 C ATOM 815 CG GLN A 54 -11.534 12.664 -13.870 1.00 0.00 C ATOM 816 CD GLN A 54 -11.117 12.488 -15.317 1.00 0.00 C ATOM 817 OE1 GLN A 54 -11.941 12.579 -16.228 1.00 0.00 O ATOM 818 NE2 GLN A 54 -9.833 12.233 -15.537 1.00 0.00 N ATOM 0 H GLN A 54 -9.108 12.289 -12.076 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.555 14.578 -11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.230 14.729 -13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.750 13.807 -13.572 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.382 11.726 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.600 12.887 -13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.185 12.166 -14.752 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.495 12.104 -16.491 1.00 0.00 H new ATOM 827 N LEU A 55 -12.078 11.670 -11.178 1.00 0.00 N ATOM 828 CA LEU A 55 -13.268 10.966 -10.712 1.00 0.00 C ATOM 829 C LEU A 55 -13.669 11.438 -9.318 1.00 0.00 C ATOM 830 O LEU A 55 -14.855 11.544 -9.005 1.00 0.00 O ATOM 831 CB LEU A 55 -13.021 9.457 -10.702 1.00 0.00 C ATOM 832 CG LEU A 55 -12.775 8.808 -12.064 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.335 7.361 -11.894 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.025 8.889 -12.928 1.00 0.00 C ATOM 0 H LEU A 55 -11.340 11.061 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.084 11.189 -11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.160 9.254 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.881 8.971 -10.241 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.976 9.353 -12.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.165 6.915 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.413 7.327 -11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.112 6.803 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.831 8.422 -13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.845 8.369 -12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.296 9.934 -13.078 1.00 0.00 H new ATOM 846 N ILE A 56 -12.672 11.720 -8.486 1.00 0.00 N ATOM 847 CA ILE A 56 -12.922 12.183 -7.126 1.00 0.00 C ATOM 848 C ILE A 56 -13.360 13.644 -7.115 1.00 0.00 C ATOM 849 O ILE A 56 -14.182 14.050 -6.293 1.00 0.00 O ATOM 850 CB ILE A 56 -11.672 12.027 -6.240 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.113 10.607 -6.355 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.004 12.356 -4.792 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.626 10.519 -6.090 1.00 0.00 C ATOM 0 H ILE A 56 -11.685 11.636 -8.729 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.723 11.563 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.911 12.726 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.638 9.961 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.319 10.224 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.110 12.241 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.360 13.384 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.780 11.679 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.299 9.484 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.091 11.139 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.415 10.871 -5.080 1.00 0.00 H new ATOM 865 N VAL A 57 -12.806 14.429 -8.033 1.00 0.00 N ATOM 866 CA VAL A 57 -13.141 15.845 -8.131 1.00 0.00 C ATOM 867 C VAL A 57 -14.509 16.042 -8.774 1.00 0.00 C ATOM 868 O VAL A 57 -15.433 16.558 -8.147 1.00 0.00 O ATOM 869 CB VAL A 57 -12.087 16.616 -8.946 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.467 18.085 -9.057 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.710 16.459 -8.319 1.00 0.00 C ATOM 0 H VAL A 57 -12.123 14.109 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.161 16.237 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.053 16.197 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.710 18.614 -9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.433 18.174 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.531 18.521 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.977 17.010 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.727 16.850 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.438 15.404 -8.297 1.00 0.00 H new ATOM 881 N GLY A 58 -14.632 15.627 -10.032 1.00 0.00 N ATOM 882 CA GLY A 58 -15.891 15.766 -10.740 1.00 0.00 C ATOM 883 C GLY A 58 -17.081 15.368 -9.890 1.00 0.00 C ATOM 884 O GLY A 58 -18.189 15.865 -10.091 1.00 0.00 O ATOM 0 H GLY A 58 -13.882 15.197 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.010 16.800 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.869 15.150 -11.639 1.00 0.00 H new ATOM 888 N TRP A 59 -16.853 14.469 -8.940 1.00 0.00 N ATOM 889 CA TRP A 59 -17.917 14.003 -8.057 1.00 0.00 C ATOM 890 C TRP A 59 -18.310 15.087 -7.060 1.00 0.00 C ATOM 891 O TRP A 59 -19.445 15.564 -7.063 1.00 0.00 O ATOM 892 CB TRP A 59 -17.474 12.743 -7.312 1.00 0.00 C ATOM 893 CG TRP A 59 -18.465 12.279 -6.288 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.710 12.845 -5.069 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.342 11.153 -6.393 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.687 12.138 -4.411 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.092 11.096 -5.202 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.569 10.188 -7.378 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.049 10.111 -4.971 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.519 9.212 -7.148 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.251 9.179 -5.953 1.00 0.00 C ATOM 0 H TRP A 59 -15.941 14.048 -8.761 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.787 13.767 -8.670 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.306 11.943 -8.033 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.520 12.936 -6.822 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.209 13.719 -4.680 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.052 12.354 -3.483 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.011 10.205 -8.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.612 10.083 -4.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.701 8.461 -7.902 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.988 8.404 -5.804 1.00 0.00 H new ATOM 912 N ARG A 60 -17.366 15.472 -6.207 1.00 0.00 N ATOM 913 CA ARG A 60 -17.616 16.499 -5.204 1.00 0.00 C ATOM 914 C ARG A 60 -18.060 17.803 -5.859 1.00 0.00 C ATOM 915 O ARG A 60 -18.936 18.500 -5.346 1.00 0.00 O ATOM 916 CB ARG A 60 -16.359 16.740 -4.366 1.00 0.00 C ATOM 917 CG ARG A 60 -15.119 17.028 -5.196 1.00 0.00 C ATOM 918 CD ARG A 60 -13.913 17.316 -4.316 1.00 0.00 C ATOM 919 NE ARG A 60 -12.896 18.095 -5.018 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.026 19.385 -5.304 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.124 20.039 -4.948 1.00 0.00 N ATOM 922 NH2 ARG A 60 -12.057 20.025 -5.945 1.00 0.00 N ATOM 0 H ARG A 60 -16.421 15.088 -6.191 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.417 16.148 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.537 17.578 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -16.174 15.864 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.905 16.175 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.307 17.881 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.235 17.858 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.479 16.375 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.039 17.622 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.871 19.551 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.222 21.030 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.211 19.526 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.158 21.016 -6.164 1.00 0.00 H new ATOM 936 N GLU A 61 -17.451 18.126 -6.995 1.00 0.00 N ATOM 937 CA GLU A 61 -17.783 19.348 -7.720 1.00 0.00 C ATOM 938 C GLU A 61 -19.291 19.584 -7.723 1.00 0.00 C ATOM 939 O GLU A 61 -19.754 20.714 -7.556 1.00 0.00 O ATOM 940 CB GLU A 61 -17.264 19.272 -9.157 1.00 0.00 C ATOM 941 CG GLU A 61 -15.824 19.732 -9.310 1.00 0.00 C ATOM 942 CD GLU A 61 -15.450 20.010 -10.753 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.165 19.525 -11.654 1.00 0.00 O ATOM 944 OE2 GLU A 61 -14.443 20.712 -10.980 1.00 0.00 O ATOM 0 H GLU A 61 -16.725 17.559 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.302 20.184 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.348 18.244 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.901 19.882 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.670 20.635 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.158 18.969 -8.907 1.00 0.00 H new ATOM 951 N LEU A 62 -20.051 18.512 -7.916 1.00 0.00 N ATOM 952 CA LEU A 62 -21.507 18.602 -7.942 1.00 0.00 C ATOM 953 C LEU A 62 -22.105 18.143 -6.616 1.00 0.00 C ATOM 954 O LEU A 62 -22.836 18.887 -5.961 1.00 0.00 O ATOM 955 CB LEU A 62 -22.069 17.758 -9.087 1.00 0.00 C ATOM 956 CG LEU A 62 -21.998 18.385 -10.480 1.00 0.00 C ATOM 957 CD1 LEU A 62 -21.892 17.306 -11.546 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.212 19.268 -10.731 1.00 0.00 C ATOM 0 H LEU A 62 -19.684 17.571 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.779 19.646 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.533 16.809 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.112 17.530 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.105 19.007 -10.532 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -21.843 17.771 -12.531 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.991 16.716 -11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -22.766 16.657 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.144 19.706 -11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.119 18.668 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.243 20.064 -9.987 1.00 0.00 H new ATOM 970 N HIS A 63 -21.788 16.913 -6.224 1.00 0.00 N ATOM 971 CA HIS A 63 -22.292 16.355 -4.974 1.00 0.00 C ATOM 972 C HIS A 63 -21.907 17.238 -3.791 1.00 0.00 C ATOM 973 O HIS A 63 -22.751 17.597 -2.971 1.00 0.00 O ATOM 974 CB HIS A 63 -21.749 14.941 -4.767 1.00 0.00 C ATOM 975 CG HIS A 63 -22.443 13.906 -5.598 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.435 13.086 -5.104 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.283 13.560 -6.897 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.855 12.280 -6.063 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.172 12.548 -7.161 1.00 0.00 N ATOM 0 H HIS A 63 -21.185 16.284 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.379 16.313 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.685 14.931 -5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.845 14.674 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.586 13.999 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.626 11.530 -5.966 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.286 12.079 -8.060 1.00 0.00 H new ATOM 988 N GLY A 64 -20.626 17.586 -3.709 1.00 0.00 N ATOM 989 CA GLY A 64 -20.152 18.423 -2.623 1.00 0.00 C ATOM 990 C GLY A 64 -18.860 17.912 -2.018 1.00 0.00 C ATOM 991 O GLY A 64 -18.265 16.945 -2.495 1.00 0.00 O ATOM 0 H GLY A 64 -19.908 17.303 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.001 19.438 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.917 18.475 -1.848 1.00 0.00 H new ATOM 995 N PRO A 65 -18.405 18.570 -0.941 1.00 0.00 N ATOM 996 CA PRO A 65 -17.169 18.195 -0.248 1.00 0.00 C ATOM 997 C PRO A 65 -17.301 16.871 0.496 1.00 0.00 C ATOM 998 O PRO A 65 -18.409 16.398 0.752 1.00 0.00 O ATOM 999 CB PRO A 65 -16.954 19.344 0.740 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.315 19.901 0.976 1.00 0.00 C ATOM 1001 CD PRO A 65 -19.062 19.731 -0.318 1.00 0.00 C ATOM 0 HA PRO A 65 -16.341 18.050 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.505 18.989 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.283 20.099 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.817 19.375 1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.263 20.952 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -20.123 19.549 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.987 20.619 -0.945 1.00 0.00 H new ATOM 1009 N PHE A 66 -16.164 16.276 0.842 1.00 0.00 N ATOM 1010 CA PHE A 66 -16.153 15.005 1.557 1.00 0.00 C ATOM 1011 C PHE A 66 -15.836 15.214 3.035 1.00 0.00 C ATOM 1012 O PHE A 66 -14.797 15.774 3.384 1.00 0.00 O ATOM 1013 CB PHE A 66 -15.129 14.054 0.934 1.00 0.00 C ATOM 1014 CG PHE A 66 -15.361 13.797 -0.527 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -16.455 13.058 -0.949 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.486 14.294 -1.479 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.670 12.819 -2.293 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.697 14.059 -2.825 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.791 13.322 -3.233 1.00 0.00 C ATOM 0 H PHE A 66 -15.239 16.654 0.639 1.00 0.00 H new ATOM 0 HA PHE A 66 -17.146 14.563 1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -14.130 14.470 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -15.153 13.105 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -17.147 12.665 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.629 14.872 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -17.525 12.239 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -14.007 14.452 -3.557 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.959 13.139 -4.284 1.00 0.00 H new ATOM 1029 N SER A 67 -16.740 14.762 3.898 1.00 0.00 N ATOM 1030 CA SER A 67 -16.560 14.904 5.338 1.00 0.00 C ATOM 1031 C SER A 67 -15.247 14.269 5.786 1.00 0.00 C ATOM 1032 O SER A 67 -14.610 14.736 6.729 1.00 0.00 O ATOM 1033 CB SER A 67 -17.731 14.263 6.085 1.00 0.00 C ATOM 1034 OG SER A 67 -17.481 14.214 7.479 1.00 0.00 O ATOM 0 H SER A 67 -17.604 14.294 3.625 1.00 0.00 H new ATOM 0 HA SER A 67 -16.528 15.968 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.642 14.831 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.899 13.255 5.707 1.00 0.00 H new ATOM 0 HG SER A 67 -18.245 13.802 7.934 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.850 13.200 5.103 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.614 12.500 5.431 1.00 0.00 C ATOM 1042 C GLN A 68 -13.020 11.835 4.193 1.00 0.00 C ATOM 1043 O GLN A 68 -13.557 11.958 3.092 1.00 0.00 O ATOM 1044 CB GLN A 68 -13.870 11.451 6.514 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.183 10.706 6.342 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.756 10.220 7.659 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.809 10.681 8.099 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -15.063 9.284 8.297 1.00 0.00 N ATOM 0 H GLN A 68 -15.366 12.800 4.319 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.899 13.233 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.051 10.732 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.864 11.939 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.906 11.360 5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.028 9.853 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.195 8.930 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.399 8.919 9.188 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.909 11.131 4.381 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.242 10.446 3.280 1.00 0.00 C ATOM 1059 C VAL A 69 -12.004 9.190 2.872 1.00 0.00 C ATOM 1060 O VAL A 69 -12.123 8.883 1.687 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.798 10.060 3.652 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.991 9.743 2.402 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.139 11.171 4.455 1.00 0.00 C ATOM 0 H VAL A 69 -11.451 11.020 5.286 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.219 11.142 2.441 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.828 9.164 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.974 9.472 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.454 8.911 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.967 10.618 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.119 10.881 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.119 12.086 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.706 11.344 5.370 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.517 8.468 3.863 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.268 7.245 3.607 1.00 0.00 C ATOM 1075 C GLU A 70 -14.340 7.477 2.546 1.00 0.00 C ATOM 1076 O GLU A 70 -14.832 6.532 1.928 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.913 6.736 4.897 1.00 0.00 C ATOM 1078 CG GLU A 70 -12.938 6.044 5.834 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.635 5.209 6.890 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -14.543 5.739 7.563 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -13.272 4.023 7.042 1.00 0.00 O ATOM 0 H GLU A 70 -12.426 8.709 4.850 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.572 6.493 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.372 7.575 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.714 6.042 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.272 5.406 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.315 6.794 6.322 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.698 8.739 2.341 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.711 9.097 1.355 1.00 0.00 C ATOM 1090 C ASP A 71 -15.339 8.562 -0.025 1.00 0.00 C ATOM 1091 O ASP A 71 -16.211 8.245 -0.835 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.884 10.615 1.297 1.00 0.00 C ATOM 1093 CG ASP A 71 -16.518 11.174 2.556 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -16.320 10.578 3.635 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.212 12.208 2.461 1.00 0.00 O ATOM 0 H ASP A 71 -14.302 9.532 2.845 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.654 8.643 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.911 11.083 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.501 10.875 0.437 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.040 8.465 -0.286 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.552 7.970 -1.568 1.00 0.00 C ATOM 1102 C LEU A 72 -14.231 6.655 -1.938 1.00 0.00 C ATOM 1103 O LEU A 72 -14.489 6.387 -3.111 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.036 7.778 -1.519 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.196 9.055 -1.551 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.713 8.721 -1.494 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.513 9.871 -2.796 1.00 0.00 C ATOM 0 H LEU A 72 -13.306 8.723 0.373 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.794 8.710 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.789 7.227 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.742 7.152 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.446 9.653 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.131 9.643 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.497 8.179 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.446 8.101 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.906 10.776 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.292 9.280 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.569 10.142 -2.794 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.519 5.839 -0.928 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.170 4.553 -1.148 1.00 0.00 C ATOM 1121 C GLU A 73 -16.419 4.715 -2.010 1.00 0.00 C ATOM 1122 O GLU A 73 -16.704 3.883 -2.872 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.540 3.908 0.189 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.036 2.478 0.059 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.508 1.901 1.380 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.993 2.679 2.227 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.392 0.671 1.565 1.00 0.00 O ATOM 0 H GLU A 73 -14.312 6.046 0.049 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.468 3.905 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.668 3.923 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.311 4.509 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.854 2.445 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.236 1.855 -0.340 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.160 5.791 -1.770 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.379 6.062 -2.523 1.00 0.00 C ATOM 1136 C ARG A 74 -18.080 6.907 -3.758 1.00 0.00 C ATOM 1137 O ARG A 74 -18.843 7.807 -4.108 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.401 6.779 -1.638 1.00 0.00 C ATOM 1139 CG ARG A 74 -18.942 8.148 -1.163 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.123 9.063 -0.878 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.828 8.683 0.343 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.325 8.842 1.562 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -19.120 9.372 1.722 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -21.028 8.471 2.625 1.00 0.00 N ATOM 0 H ARG A 74 -16.938 6.489 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.794 5.108 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.334 6.890 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.617 6.156 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.339 8.038 -0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.303 8.602 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.772 10.091 -0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.815 9.035 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.758 8.273 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.577 9.659 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.736 9.493 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.955 8.063 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.641 8.594 3.561 1.00 0.00 H new ATOM 1158 N VAL A 75 -16.963 6.610 -4.415 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.562 7.340 -5.611 1.00 0.00 C ATOM 1160 C VAL A 75 -16.431 6.405 -6.808 1.00 0.00 C ATOM 1161 O VAL A 75 -15.576 5.520 -6.825 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.225 8.075 -5.398 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.780 8.756 -6.684 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.346 9.084 -4.266 1.00 0.00 C ATOM 0 H VAL A 75 -16.320 5.868 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.343 8.073 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.467 7.342 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.834 9.270 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.652 8.008 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.535 9.478 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.392 9.594 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.116 9.815 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.616 8.567 -3.345 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.283 6.609 -7.808 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.262 5.783 -9.009 1.00 0.00 C ATOM 1176 C GLU A 76 -15.828 5.485 -9.439 1.00 0.00 C ATOM 1177 O GLU A 76 -15.038 6.397 -9.677 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.013 6.478 -10.146 1.00 0.00 C ATOM 1179 CG GLU A 76 -19.524 6.436 -9.992 1.00 0.00 C ATOM 1180 CD GLU A 76 -20.250 6.662 -11.304 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.644 6.420 -12.368 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -21.426 7.081 -11.266 1.00 0.00 O ATOM 0 H GLU A 76 -17.996 7.339 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.758 4.840 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.691 7.518 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.739 6.009 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.817 5.470 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.834 7.195 -9.274 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.500 4.200 -9.536 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.163 3.804 -9.936 1.00 0.00 C ATOM 1191 C GLY A 77 -13.286 3.443 -8.753 1.00 0.00 C ATOM 1192 O GLY A 77 -12.576 2.437 -8.783 1.00 0.00 O ATOM 0 H GLY A 77 -16.137 3.426 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.227 2.950 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.698 4.617 -10.494 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.335 4.264 -7.710 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.539 4.025 -6.513 1.00 0.00 C ATOM 1198 C ILE A 78 -13.369 3.349 -5.427 1.00 0.00 C ATOM 1199 O ILE A 78 -14.372 3.894 -4.966 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.955 5.337 -5.954 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.298 6.146 -7.075 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.952 5.041 -4.849 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.111 7.608 -6.734 1.00 0.00 C ATOM 0 H ILE A 78 -13.917 5.100 -7.670 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.720 3.367 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.767 5.929 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.327 5.708 -7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.907 6.066 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.548 5.977 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.448 4.501 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.140 4.432 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.640 8.120 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.081 8.061 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.477 7.698 -5.852 1.00 0.00 H new ATOM 1215 N THR A 79 -12.942 2.157 -5.020 1.00 0.00 N ATOM 1216 CA THR A 79 -13.645 1.405 -3.988 1.00 0.00 C ATOM 1217 C THR A 79 -12.943 1.534 -2.641 1.00 0.00 C ATOM 1218 O THR A 79 -11.868 2.123 -2.544 1.00 0.00 O ATOM 1219 CB THR A 79 -13.755 -0.086 -4.356 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.469 -0.792 -3.334 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.376 -0.703 -4.537 1.00 0.00 C ATOM 0 H THR A 79 -12.113 1.692 -5.390 1.00 0.00 H new ATOM 0 HA THR A 79 -14.647 1.828 -3.915 1.00 0.00 H new ATOM 0 HB THR A 79 -14.297 -0.165 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.536 -1.739 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.480 -1.757 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.847 -0.183 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.812 -0.612 -3.609 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.559 0.976 -1.602 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.978 1.039 -0.274 1.00 0.00 C ATOM 1231 C GLY A 80 -11.525 0.606 -0.256 1.00 0.00 C ATOM 1232 O GLY A 80 -10.709 1.173 0.471 1.00 0.00 O ATOM 0 H GLY A 80 -14.450 0.482 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.055 2.058 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.552 0.404 0.401 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.200 -0.404 -1.056 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.837 -0.914 -1.129 1.00 0.00 C ATOM 1238 C LYS A 81 -8.929 0.063 -1.870 1.00 0.00 C ATOM 1239 O LYS A 81 -7.972 0.588 -1.300 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.817 -2.275 -1.829 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.353 -3.408 -0.970 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.250 -4.055 -0.149 1.00 0.00 C ATOM 1243 CE LYS A 81 -9.812 -5.062 0.842 1.00 0.00 C ATOM 1244 NZ LYS A 81 -8.773 -5.540 1.797 1.00 0.00 N ATOM 0 H LYS A 81 -11.863 -0.886 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.464 -1.029 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.407 -2.213 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.794 -2.507 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.127 -3.026 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.822 -4.158 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.544 -4.552 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.695 -3.285 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.633 -4.607 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.226 -5.912 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.196 -6.225 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.001 -5.997 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.396 -4.732 2.332 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.237 0.303 -3.140 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.448 1.218 -3.957 1.00 0.00 C ATOM 1260 C GLN A 82 -8.064 2.462 -3.164 1.00 0.00 C ATOM 1261 O GLN A 82 -6.920 2.914 -3.214 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.229 1.618 -5.210 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.410 0.482 -6.203 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.120 0.114 -6.910 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.831 0.610 -7.999 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.335 -0.761 -6.292 1.00 0.00 N ATOM 0 H GLN A 82 -10.026 -0.123 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.534 0.704 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.210 1.990 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.712 2.441 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.796 -0.394 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.157 0.767 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.613 -1.148 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.454 -1.046 -6.719 1.00 0.00 H new ATOM 1275 N MET A 83 -9.027 3.013 -2.432 1.00 0.00 N ATOM 1276 CA MET A 83 -8.789 4.205 -1.627 1.00 0.00 C ATOM 1277 C MET A 83 -7.975 3.867 -0.382 1.00 0.00 C ATOM 1278 O MET A 83 -7.228 4.701 0.127 1.00 0.00 O ATOM 1279 CB MET A 83 -10.117 4.848 -1.223 1.00 0.00 C ATOM 1280 CG MET A 83 -10.890 4.048 -0.188 1.00 0.00 C ATOM 1281 SD MET A 83 -11.906 5.088 0.877 1.00 0.00 S ATOM 1282 CE MET A 83 -10.646 5.924 1.837 1.00 0.00 C ATOM 0 H MET A 83 -9.980 2.653 -2.380 1.00 0.00 H new ATOM 0 HA MET A 83 -8.220 4.912 -2.231 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.923 5.845 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.736 4.972 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.527 3.323 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.189 3.482 0.425 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.774 5.685 2.893 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.660 5.596 1.508 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.736 7.001 1.696 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.126 2.638 0.103 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.406 2.191 1.289 1.00 0.00 C ATOM 1294 C GLU A 84 -5.909 2.091 1.011 1.00 0.00 C ATOM 1295 O GLU A 84 -5.092 2.663 1.733 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.940 0.837 1.758 1.00 0.00 C ATOM 1297 CG GLU A 84 -9.109 0.944 2.723 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.663 1.134 4.160 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.965 0.242 4.687 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -9.012 2.173 4.758 1.00 0.00 O ATOM 0 H GLU A 84 -8.740 1.935 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.564 2.928 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.250 0.257 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.133 0.284 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.742 1.781 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.718 0.043 2.652 1.00 0.00 H new ATOM 1307 N SER A 85 -5.556 1.359 -0.041 1.00 0.00 N ATOM 1308 CA SER A 85 -4.158 1.179 -0.414 1.00 0.00 C ATOM 1309 C SER A 85 -3.491 2.524 -0.686 1.00 0.00 C ATOM 1310 O SER A 85 -2.357 2.763 -0.269 1.00 0.00 O ATOM 1311 CB SER A 85 -4.048 0.284 -1.649 1.00 0.00 C ATOM 1312 OG SER A 85 -4.047 -1.087 -1.287 1.00 0.00 O ATOM 0 H SER A 85 -6.220 0.881 -0.650 1.00 0.00 H new ATOM 0 HA SER A 85 -3.645 0.700 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.881 0.485 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.134 0.520 -2.193 1.00 0.00 H new ATOM 0 HG SER A 85 -3.978 -1.638 -2.094 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.203 3.399 -1.388 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.681 4.721 -1.717 1.00 0.00 C ATOM 1320 C PHE A 86 -3.282 5.478 -0.454 1.00 0.00 C ATOM 1321 O PHE A 86 -2.120 5.850 -0.280 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.723 5.523 -2.499 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.594 7.009 -2.318 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.455 7.675 -2.739 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.613 7.739 -1.728 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.334 9.042 -2.573 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.498 9.106 -1.560 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.357 9.758 -1.984 1.00 0.00 C ATOM 0 H PHE A 86 -5.143 3.217 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.793 4.591 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.633 5.285 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.720 5.212 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.652 7.120 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.508 7.234 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.440 9.550 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.299 9.663 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.265 10.826 -1.855 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.252 5.705 0.424 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.004 6.418 1.672 1.00 0.00 C ATOM 1340 C LEU A 87 -2.635 6.059 2.242 1.00 0.00 C ATOM 1341 O LEU A 87 -1.844 6.937 2.585 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.095 6.095 2.694 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.322 7.008 2.678 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.526 6.295 3.272 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.036 8.297 3.434 1.00 0.00 C ATOM 0 H LEU A 87 -5.218 5.405 0.295 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.020 7.487 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.427 5.070 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.654 6.130 3.690 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.550 7.260 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.389 6.960 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.744 5.401 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.310 6.012 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.920 8.935 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.782 8.064 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.202 8.817 2.964 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.362 4.763 2.338 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.088 4.285 2.862 1.00 0.00 C ATOM 1359 C LYS A 88 0.073 4.785 2.008 1.00 0.00 C ATOM 1360 O LYS A 88 1.114 5.182 2.531 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.075 2.756 2.915 1.00 0.00 C ATOM 1362 CG LYS A 88 0.257 2.174 3.356 1.00 0.00 C ATOM 1363 CD LYS A 88 0.132 0.701 3.708 1.00 0.00 C ATOM 1364 CE LYS A 88 0.204 -0.177 2.467 1.00 0.00 C ATOM 1365 NZ LYS A 88 -1.048 -0.106 1.665 1.00 0.00 N ATOM 0 H LYS A 88 -3.007 4.023 2.059 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.969 4.678 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.854 2.418 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.324 2.364 1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.991 2.298 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.628 2.725 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.928 0.422 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.813 0.528 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.048 0.133 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.388 -1.210 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.277 -1.050 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.828 0.228 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.916 0.554 0.872 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.113 4.763 0.692 1.00 0.00 N ATOM 1380 CA ALA A 89 0.917 5.217 -0.233 1.00 0.00 C ATOM 1381 C ALA A 89 1.471 6.575 0.185 1.00 0.00 C ATOM 1382 O ALA A 89 2.684 6.756 0.287 1.00 0.00 O ATOM 1383 CB ALA A 89 0.363 5.284 -1.648 1.00 0.00 C ATOM 0 H ALA A 89 -0.968 4.435 0.243 1.00 0.00 H new ATOM 0 HA ALA A 89 1.735 4.497 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.143 5.625 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.022 4.294 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.474 5.981 -1.678 1.00 0.00 H new ATOM 1389 N ASN A 90 0.575 7.526 0.427 1.00 0.00 N ATOM 1390 CA ASN A 90 0.975 8.868 0.833 1.00 0.00 C ATOM 1391 C ASN A 90 1.282 8.915 2.327 1.00 0.00 C ATOM 1392 O ASN A 90 2.366 9.332 2.734 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.126 9.875 0.495 1.00 0.00 C ATOM 1394 CG ASN A 90 0.241 11.290 0.898 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.207 11.789 1.931 1.00 0.00 O ATOM 1396 ND2 ASN A 90 1.059 11.945 0.083 1.00 0.00 N ATOM 0 H ASN A 90 -0.433 7.392 0.349 1.00 0.00 H new ATOM 0 HA ASN A 90 1.880 9.132 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.325 9.845 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.048 9.584 0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.340 12.901 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.406 11.493 -0.763 1.00 0.00 H new ATOM 1403 N ILE A 91 0.320 8.485 3.136 1.00 0.00 N ATOM 1404 CA ILE A 91 0.489 8.477 4.584 1.00 0.00 C ATOM 1405 C ILE A 91 1.875 7.976 4.974 1.00 0.00 C ATOM 1406 O ILE A 91 2.689 8.726 5.515 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.574 7.597 5.270 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.939 8.288 5.235 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.165 7.293 6.703 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.068 7.419 5.742 1.00 0.00 C ATOM 0 H ILE A 91 -0.584 8.138 2.814 1.00 0.00 H new ATOM 0 HA ILE A 91 0.370 9.507 4.921 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.650 6.655 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.893 9.197 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.157 8.593 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.926 6.671 7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.788 6.765 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.064 8.226 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.005 7.973 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.141 6.522 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.873 7.135 6.776 1.00 0.00 H new ATOM 1422 N LEU A 92 2.139 6.705 4.694 1.00 0.00 N ATOM 1423 CA LEU A 92 3.429 6.103 5.012 1.00 0.00 C ATOM 1424 C LEU A 92 4.561 6.825 4.289 1.00 0.00 C ATOM 1425 O LEU A 92 5.706 6.813 4.738 1.00 0.00 O ATOM 1426 CB LEU A 92 3.430 4.621 4.634 1.00 0.00 C ATOM 1427 CG LEU A 92 2.640 3.692 5.555 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.828 2.241 5.140 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.060 3.893 7.004 1.00 0.00 C ATOM 0 H LEU A 92 1.477 6.071 4.247 1.00 0.00 H new ATOM 0 HA LEU A 92 3.591 6.198 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.031 4.524 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.463 4.276 4.603 1.00 0.00 H new ATOM 0 HG LEU A 92 1.582 3.939 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.258 1.595 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.476 2.107 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.885 1.980 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.487 3.223 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.123 3.674 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.872 4.926 7.298 1.00 0.00 H new ATOM 1441 N GLY A 93 4.231 7.457 3.166 1.00 0.00 N ATOM 1442 CA GLY A 93 5.230 8.178 2.400 1.00 0.00 C ATOM 1443 C GLY A 93 5.634 9.483 3.056 1.00 0.00 C ATOM 1444 O GLY A 93 6.787 9.905 2.960 1.00 0.00 O ATOM 0 H GLY A 93 3.290 7.482 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.112 7.549 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.841 8.382 1.402 1.00 0.00 H new ATOM 1448 N LEU A 94 4.683 10.126 3.725 1.00 0.00 N ATOM 1449 CA LEU A 94 4.945 11.393 4.399 1.00 0.00 C ATOM 1450 C LEU A 94 6.235 11.322 5.210 1.00 0.00 C ATOM 1451 O LEU A 94 7.072 12.221 5.143 1.00 0.00 O ATOM 1452 CB LEU A 94 3.774 11.758 5.313 1.00 0.00 C ATOM 1453 CG LEU A 94 2.494 12.218 4.613 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.376 12.419 5.623 1.00 0.00 C ATOM 1455 CD2 LEU A 94 2.745 13.498 3.830 1.00 0.00 C ATOM 0 H LEU A 94 3.724 9.791 3.815 1.00 0.00 H new ATOM 0 HA LEU A 94 5.058 12.165 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.536 10.891 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.099 12.549 5.989 1.00 0.00 H new ATOM 0 HG LEU A 94 2.187 11.442 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.474 12.746 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.178 11.479 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.673 13.176 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.824 13.811 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.077 14.282 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.514 13.320 3.079 1.00 0.00 H new