USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 856 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 31 HIS : no HD1:sc= -0.065 X(o=-0.065,f=0) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.0315 USER MOD Set 2.2: A 131 ASN :FLIP amide:sc=-0.00781 F(o=-2!,f=-0.25) USER MOD Set 2.3: A 134 MET CE :methyl 141:sc= -0.212 (180deg=-1.09) USER MOD Single : A 12 ASN : amide:sc= 0.463 K(o=0.46,f=-4.5!) USER MOD Single : A 15 THR OG1 : rot 107:sc= 1.11 USER MOD Single : A 17 TYR OH : rot -130:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0553 F(o=-1.3!,f=-0.055) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 58 GLN : amide:sc= -1.02 X(o=-1,f=-0.71) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 96 THR OG1 : rot -113:sc= -3.07! USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 101 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.18) USER MOD Single : A 107 GLN : amide:sc= 0.696 K(o=0.7,f=-3.9!) USER MOD Single : A 114 MET CE :methyl -172:sc= 0 (180deg=-0.00233) USER MOD Single : A 121 MET CE :methyl 160:sc= -0.0197 (180deg=-0.187) USER MOD Single : A 123 THR OG1 : rot -120:sc= 0.0683 USER MOD Single : A 124 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.5) USER MOD Single : A 129 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 15.228 -0.635 -9.366 1.00 0.00 N ATOM 154 CA LEU A 11 14.123 0.306 -9.463 1.00 0.00 C ATOM 155 C LEU A 11 12.842 -0.433 -9.822 1.00 0.00 C ATOM 156 O LEU A 11 12.562 -0.685 -10.998 1.00 0.00 O ATOM 157 CB LEU A 11 14.424 1.390 -10.502 1.00 0.00 C ATOM 158 CG LEU A 11 15.646 2.263 -10.202 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.882 3.251 -11.332 1.00 0.00 C ATOM 160 CD2 LEU A 11 15.466 2.995 -8.880 1.00 0.00 C ATOM 0 HA LEU A 11 13.992 0.791 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.569 0.911 -11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.550 2.036 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 11 16.521 1.618 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.754 3.864 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.054 2.707 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.007 3.892 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.344 3.611 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.582 3.630 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.344 2.269 -8.076 1.00 0.00 H new ATOM 172 N ASN A 12 12.089 -0.803 -8.799 1.00 0.00 N ATOM 173 CA ASN A 12 10.849 -1.546 -8.978 1.00 0.00 C ATOM 174 C ASN A 12 9.739 -0.640 -9.505 1.00 0.00 C ATOM 175 O ASN A 12 9.448 0.411 -8.934 1.00 0.00 O ATOM 176 CB ASN A 12 10.438 -2.197 -7.653 1.00 0.00 C ATOM 177 CG ASN A 12 9.117 -2.942 -7.733 1.00 0.00 C ATOM 178 OD1 ASN A 12 8.699 -3.389 -8.800 1.00 0.00 O ATOM 179 ND2 ASN A 12 8.463 -3.100 -6.593 1.00 0.00 N ATOM 0 H ASN A 12 12.317 -0.599 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 12 11.015 -2.328 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.219 -2.889 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.367 -1.427 -6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.579 -3.608 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.843 -2.714 -5.729 1.00 0.00 H new ATOM 186 N THR A 13 9.139 -1.047 -10.613 1.00 0.00 N ATOM 187 CA THR A 13 8.063 -0.298 -11.240 1.00 0.00 C ATOM 188 C THR A 13 7.180 -1.243 -12.056 1.00 0.00 C ATOM 189 O THR A 13 7.675 -2.195 -12.661 1.00 0.00 O ATOM 190 CB THR A 13 8.617 0.824 -12.154 1.00 0.00 C ATOM 191 OG1 THR A 13 9.421 1.730 -11.388 1.00 0.00 O ATOM 192 CG2 THR A 13 7.493 1.600 -12.828 1.00 0.00 C ATOM 0 H THR A 13 9.385 -1.907 -11.103 1.00 0.00 H new ATOM 0 HA THR A 13 7.471 0.168 -10.452 1.00 0.00 H new ATOM 0 HB THR A 13 9.223 0.351 -12.927 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.768 2.435 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.918 2.379 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.897 0.921 -13.438 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.859 2.056 -12.068 1.00 0.00 H new ATOM 200 N VAL A 14 5.877 -0.989 -12.045 1.00 0.00 N ATOM 201 CA VAL A 14 4.932 -1.800 -12.802 1.00 0.00 C ATOM 202 C VAL A 14 5.142 -1.595 -14.300 1.00 0.00 C ATOM 203 O VAL A 14 4.889 -0.513 -14.830 1.00 0.00 O ATOM 204 CB VAL A 14 3.472 -1.453 -12.436 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.497 -2.382 -13.144 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.269 -1.510 -10.929 1.00 0.00 C ATOM 0 H VAL A 14 5.450 -0.226 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 14 5.113 -2.844 -12.546 1.00 0.00 H new ATOM 0 HB VAL A 14 3.273 -0.435 -12.772 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.476 -2.116 -12.869 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.619 -2.284 -14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.696 -3.412 -12.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.234 -1.262 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.494 -2.514 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.933 -0.794 -10.445 1.00 0.00 H new ATOM 216 N THR A 15 5.606 -2.638 -14.973 1.00 0.00 N ATOM 217 CA THR A 15 5.927 -2.558 -16.389 1.00 0.00 C ATOM 218 C THR A 15 4.664 -2.525 -17.242 1.00 0.00 C ATOM 219 O THR A 15 4.628 -1.884 -18.298 1.00 0.00 O ATOM 220 CB THR A 15 6.811 -3.746 -16.813 1.00 0.00 C ATOM 221 OG1 THR A 15 6.321 -4.952 -16.212 1.00 0.00 O ATOM 222 CG2 THR A 15 8.257 -3.522 -16.400 1.00 0.00 C ATOM 0 H THR A 15 5.769 -3.555 -14.557 1.00 0.00 H new ATOM 0 HA THR A 15 6.475 -1.630 -16.549 1.00 0.00 H new ATOM 0 HB THR A 15 6.771 -3.833 -17.899 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.892 -5.507 -16.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.860 -4.375 -16.711 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.635 -2.617 -16.876 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.313 -3.413 -15.317 1.00 0.00 H new ATOM 230 N ALA A 16 3.629 -3.206 -16.776 1.00 0.00 N ATOM 231 CA ALA A 16 2.365 -3.245 -17.487 1.00 0.00 C ATOM 232 C ALA A 16 1.207 -2.943 -16.546 1.00 0.00 C ATOM 233 O ALA A 16 0.691 -3.835 -15.875 1.00 0.00 O ATOM 234 CB ALA A 16 2.171 -4.598 -18.154 1.00 0.00 C ATOM 0 H ALA A 16 3.642 -3.740 -15.907 1.00 0.00 H new ATOM 0 HA ALA A 16 2.385 -2.477 -18.261 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.218 -4.610 -18.683 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.981 -4.774 -18.862 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.175 -5.381 -17.396 1.00 0.00 H new ATOM 240 N TYR A 17 0.837 -1.670 -16.465 1.00 0.00 N ATOM 241 CA TYR A 17 -0.322 -1.260 -15.680 1.00 0.00 C ATOM 242 C TYR A 17 -1.492 -0.934 -16.610 1.00 0.00 C ATOM 243 O TYR A 17 -2.598 -0.625 -16.165 1.00 0.00 O ATOM 244 CB TYR A 17 0.031 -0.054 -14.797 1.00 0.00 C ATOM 245 CG TYR A 17 -1.104 0.404 -13.907 1.00 0.00 C ATOM 246 CD1 TYR A 17 -1.558 -0.391 -12.862 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.731 1.625 -14.123 1.00 0.00 C ATOM 248 CE1 TYR A 17 -2.607 0.017 -12.061 1.00 0.00 C ATOM 249 CE2 TYR A 17 -2.777 2.040 -13.323 1.00 0.00 C ATOM 250 CZ TYR A 17 -3.211 1.233 -12.296 1.00 0.00 C ATOM 251 OH TYR A 17 -4.261 1.641 -11.506 1.00 0.00 O ATOM 0 H TYR A 17 1.322 -0.904 -16.933 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.619 -2.080 -15.027 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.888 -0.310 -14.174 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.337 0.775 -15.435 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.084 -1.343 -12.673 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.395 2.260 -14.930 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.952 -0.614 -11.255 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.252 2.993 -13.502 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.005 1.930 -12.075 1.00 0.00 H new ATOM 261 N GLY A 18 -1.238 -1.011 -17.909 1.00 0.00 N ATOM 262 CA GLY A 18 -2.283 -0.759 -18.883 1.00 0.00 C ATOM 263 C GLY A 18 -3.238 -1.928 -19.003 1.00 0.00 C ATOM 264 O GLY A 18 -4.391 -1.762 -19.404 1.00 0.00 O ATOM 0 H GLY A 18 -0.328 -1.243 -18.306 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.838 0.135 -18.597 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.832 -0.557 -19.855 1.00 0.00 H new ATOM 268 N ASP A 19 -2.759 -3.108 -18.638 1.00 0.00 N ATOM 269 CA ASP A 19 -3.552 -4.323 -18.706 1.00 0.00 C ATOM 270 C ASP A 19 -4.511 -4.420 -17.527 1.00 0.00 C ATOM 271 O ASP A 19 -4.600 -3.506 -16.706 1.00 0.00 O ATOM 272 CB ASP A 19 -2.632 -5.544 -18.730 1.00 0.00 C ATOM 273 CG ASP A 19 -1.908 -5.699 -20.051 1.00 0.00 C ATOM 274 OD1 ASP A 19 -0.954 -4.939 -20.306 1.00 0.00 O ATOM 275 OD2 ASP A 19 -2.301 -6.573 -20.849 1.00 0.00 O ATOM 0 H ASP A 19 -1.812 -3.248 -18.287 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.141 -4.294 -19.622 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.901 -5.460 -17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.219 -6.441 -18.534 1.00 0.00 H new ATOM 280 N GLY A 20 -5.220 -5.537 -17.442 1.00 0.00 N ATOM 281 CA GLY A 20 -6.183 -5.729 -16.375 1.00 0.00 C ATOM 282 C GLY A 20 -5.568 -6.367 -15.146 1.00 0.00 C ATOM 283 O GLY A 20 -6.281 -6.847 -14.264 1.00 0.00 O ATOM 0 H GLY A 20 -5.145 -6.317 -18.095 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.615 -4.766 -16.103 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.000 -6.355 -16.735 1.00 0.00 H new ATOM 287 N TYR A 21 -4.244 -6.376 -15.092 1.00 0.00 N ATOM 288 CA TYR A 21 -3.520 -6.939 -13.963 1.00 0.00 C ATOM 289 C TYR A 21 -2.208 -6.198 -13.761 1.00 0.00 C ATOM 290 O TYR A 21 -1.834 -5.357 -14.579 1.00 0.00 O ATOM 291 CB TYR A 21 -3.269 -8.439 -14.158 1.00 0.00 C ATOM 292 CG TYR A 21 -2.665 -8.808 -15.496 1.00 0.00 C ATOM 293 CD1 TYR A 21 -1.293 -8.741 -15.710 1.00 0.00 C ATOM 294 CD2 TYR A 21 -3.470 -9.235 -16.544 1.00 0.00 C ATOM 295 CE1 TYR A 21 -0.745 -9.089 -16.929 1.00 0.00 C ATOM 296 CE2 TYR A 21 -2.929 -9.587 -17.763 1.00 0.00 C ATOM 297 CZ TYR A 21 -1.567 -9.511 -17.952 1.00 0.00 C ATOM 298 OH TYR A 21 -1.026 -9.870 -19.164 1.00 0.00 O ATOM 0 H TYR A 21 -3.645 -5.996 -15.825 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.133 -6.819 -13.070 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.607 -8.789 -13.366 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.214 -8.970 -14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.646 -8.412 -14.911 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.539 -9.292 -16.402 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.323 -9.031 -17.080 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.570 -9.921 -18.565 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.743 -10.144 -19.774 1.00 0.00 H new ATOM 308 N ILE A 22 -1.509 -6.516 -12.684 1.00 0.00 N ATOM 309 CA ILE A 22 -0.300 -5.796 -12.320 1.00 0.00 C ATOM 310 C ILE A 22 0.944 -6.617 -12.638 1.00 0.00 C ATOM 311 O ILE A 22 1.225 -7.618 -11.977 1.00 0.00 O ATOM 312 CB ILE A 22 -0.301 -5.437 -10.820 1.00 0.00 C ATOM 313 CG1 ILE A 22 -1.598 -4.710 -10.451 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.910 -4.578 -10.475 1.00 0.00 C ATOM 315 CD1 ILE A 22 -1.762 -4.472 -8.966 1.00 0.00 C ATOM 0 H ILE A 22 -1.759 -7.270 -12.045 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.281 -4.878 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.242 -6.359 -10.242 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.626 -3.751 -10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.446 -5.292 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.893 -4.334 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.823 -5.127 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.882 -3.658 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.703 -3.953 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.767 -5.428 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.935 -3.863 -8.602 1.00 0.00 H new ATOM 327 N GLU A 23 1.678 -6.206 -13.661 1.00 0.00 N ATOM 328 CA GLU A 23 2.936 -6.856 -13.993 1.00 0.00 C ATOM 329 C GLU A 23 4.094 -6.132 -13.319 1.00 0.00 C ATOM 330 O GLU A 23 4.403 -4.983 -13.648 1.00 0.00 O ATOM 331 CB GLU A 23 3.156 -6.900 -15.506 1.00 0.00 C ATOM 332 CG GLU A 23 4.455 -7.589 -15.902 1.00 0.00 C ATOM 333 CD GLU A 23 4.670 -7.630 -17.400 1.00 0.00 C ATOM 334 OE1 GLU A 23 5.105 -6.607 -17.970 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.422 -8.690 -18.010 1.00 0.00 O ATOM 0 H GLU A 23 1.426 -5.430 -14.273 1.00 0.00 H new ATOM 0 HA GLU A 23 2.891 -7.882 -13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.319 -7.419 -15.974 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.158 -5.882 -15.896 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.292 -7.070 -15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.453 -8.607 -15.513 1.00 0.00 H new ATOM 342 N VAL A 24 4.722 -6.801 -12.370 1.00 0.00 N ATOM 343 CA VAL A 24 5.857 -6.241 -11.664 1.00 0.00 C ATOM 344 C VAL A 24 7.153 -6.768 -12.266 1.00 0.00 C ATOM 345 O VAL A 24 7.596 -7.875 -11.941 1.00 0.00 O ATOM 346 CB VAL A 24 5.807 -6.565 -10.155 1.00 0.00 C ATOM 347 CG1 VAL A 24 7.018 -6.000 -9.432 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.524 -6.030 -9.540 1.00 0.00 C ATOM 0 H VAL A 24 4.462 -7.740 -12.069 1.00 0.00 H new ATOM 0 HA VAL A 24 5.816 -5.157 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 24 5.824 -7.649 -10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.955 -6.244 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.926 -6.433 -9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.042 -4.917 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.504 -6.267 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.480 -4.949 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.666 -6.490 -10.030 1.00 0.00 H new ATOM 358 N ASN A 25 7.723 -5.976 -13.173 1.00 0.00 N ATOM 359 CA ASN A 25 8.976 -6.305 -13.861 1.00 0.00 C ATOM 360 C ASN A 25 8.828 -7.541 -14.747 1.00 0.00 C ATOM 361 O ASN A 25 8.704 -7.432 -15.967 1.00 0.00 O ATOM 362 CB ASN A 25 10.130 -6.506 -12.869 1.00 0.00 C ATOM 363 CG ASN A 25 10.557 -5.224 -12.173 1.00 0.00 C ATOM 364 OD1 ASN A 25 10.439 -4.096 -12.859 1.00 0.00 O flip ATOM 365 ND2 ASN A 25 11.000 -5.248 -11.029 1.00 0.00 N flip ATOM 0 H ASN A 25 7.327 -5.080 -13.455 1.00 0.00 H new ATOM 0 HA ASN A 25 9.213 -5.453 -14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.830 -7.236 -12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.985 -6.926 -13.398 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.077 -6.134 -10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.291 -4.381 -10.577 1.00 0.00 H new ATOM 372 N GLN A 26 8.836 -8.712 -14.126 1.00 0.00 N ATOM 373 CA GLN A 26 8.770 -9.971 -14.856 1.00 0.00 C ATOM 374 C GLN A 26 7.528 -10.766 -14.467 1.00 0.00 C ATOM 375 O GLN A 26 7.001 -11.542 -15.266 1.00 0.00 O ATOM 376 CB GLN A 26 10.016 -10.817 -14.580 1.00 0.00 C ATOM 377 CG GLN A 26 11.319 -10.180 -15.039 1.00 0.00 C ATOM 378 CD GLN A 26 12.530 -11.024 -14.686 1.00 0.00 C ATOM 379 OE1 GLN A 26 12.532 -11.743 -13.686 1.00 0.00 O ATOM 380 NE2 GLN A 26 13.566 -10.949 -15.507 1.00 0.00 N ATOM 0 H GLN A 26 8.888 -8.817 -13.113 1.00 0.00 H new ATOM 0 HA GLN A 26 8.719 -9.733 -15.919 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.078 -11.013 -13.510 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.903 -11.782 -15.074 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.286 -10.029 -16.118 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.420 -9.195 -14.582 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.525 -10.341 -16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.405 -11.499 -15.321 1.00 0.00 H new ATOM 389 N VAL A 27 7.055 -10.568 -13.243 1.00 0.00 N ATOM 390 CA VAL A 27 5.962 -11.375 -12.713 1.00 0.00 C ATOM 391 C VAL A 27 4.628 -10.650 -12.843 1.00 0.00 C ATOM 392 O VAL A 27 4.486 -9.506 -12.415 1.00 0.00 O ATOM 393 CB VAL A 27 6.200 -11.744 -11.232 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.109 -12.677 -10.724 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.575 -12.371 -11.046 1.00 0.00 C ATOM 0 H VAL A 27 7.409 -9.859 -12.601 1.00 0.00 H new ATOM 0 HA VAL A 27 5.929 -12.290 -13.304 1.00 0.00 H new ATOM 0 HB VAL A 27 6.162 -10.827 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.298 -12.923 -9.679 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.140 -12.186 -10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.107 -13.591 -11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.721 -12.623 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.647 -13.276 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.343 -11.664 -11.360 1.00 0.00 H new ATOM 405 N ARG A 28 3.653 -11.324 -13.434 1.00 0.00 N ATOM 406 CA ARG A 28 2.326 -10.754 -13.616 1.00 0.00 C ATOM 407 C ARG A 28 1.385 -11.249 -12.526 1.00 0.00 C ATOM 408 O ARG A 28 1.013 -12.422 -12.498 1.00 0.00 O ATOM 409 CB ARG A 28 1.781 -11.112 -15.001 1.00 0.00 C ATOM 410 CG ARG A 28 2.606 -10.532 -16.134 1.00 0.00 C ATOM 411 CD ARG A 28 2.083 -10.952 -17.497 1.00 0.00 C ATOM 412 NE ARG A 28 2.196 -12.392 -17.706 1.00 0.00 N ATOM 413 CZ ARG A 28 2.812 -12.946 -18.744 1.00 0.00 C ATOM 414 NH1 ARG A 28 3.358 -12.188 -19.686 1.00 0.00 N ATOM 415 NH2 ARG A 28 2.874 -14.268 -18.849 1.00 0.00 N ATOM 0 H ARG A 28 3.757 -12.271 -13.798 1.00 0.00 H new ATOM 0 HA ARG A 28 2.397 -9.669 -13.543 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.748 -12.197 -15.102 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.756 -10.752 -15.085 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.602 -9.444 -16.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.642 -10.854 -16.029 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.039 -10.653 -17.593 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.638 -10.428 -18.275 1.00 0.00 H new ATOM 0 HE ARG A 28 1.776 -13.011 -17.012 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.307 -11.172 -19.616 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.829 -12.622 -20.480 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.449 -14.857 -18.133 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.347 -14.695 -19.646 1.00 0.00 H new ATOM 429 N PHE A 29 1.014 -10.353 -11.627 1.00 0.00 N ATOM 430 CA PHE A 29 0.173 -10.712 -10.496 1.00 0.00 C ATOM 431 C PHE A 29 -1.301 -10.527 -10.830 1.00 0.00 C ATOM 432 O PHE A 29 -1.712 -9.489 -11.350 1.00 0.00 O ATOM 433 CB PHE A 29 0.545 -9.884 -9.267 1.00 0.00 C ATOM 434 CG PHE A 29 1.937 -10.149 -8.764 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.186 -11.204 -7.902 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.995 -9.344 -9.153 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.464 -11.451 -7.437 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.275 -9.586 -8.691 1.00 0.00 C ATOM 439 CZ PHE A 29 4.509 -10.641 -7.832 1.00 0.00 C ATOM 0 H PHE A 29 1.282 -9.369 -11.658 1.00 0.00 H new ATOM 0 HA PHE A 29 0.342 -11.765 -10.273 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.450 -8.826 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.167 -10.093 -8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.372 -11.841 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.818 -8.518 -9.825 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.645 -12.277 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.091 -8.950 -9.002 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.508 -10.832 -7.470 1.00 0.00 H new ATOM 449 N SER A 30 -2.086 -11.543 -10.522 1.00 0.00 N ATOM 450 CA SER A 30 -3.506 -11.549 -10.825 1.00 0.00 C ATOM 451 C SER A 30 -4.347 -11.237 -9.585 1.00 0.00 C ATOM 452 O SER A 30 -5.564 -11.435 -9.584 1.00 0.00 O ATOM 453 CB SER A 30 -3.873 -12.917 -11.392 1.00 0.00 C ATOM 454 OG SER A 30 -3.179 -13.943 -10.698 1.00 0.00 O ATOM 0 H SER A 30 -1.757 -12.388 -10.055 1.00 0.00 H new ATOM 0 HA SER A 30 -3.719 -10.770 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.948 -13.076 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.627 -12.956 -12.453 1.00 0.00 H new ATOM 0 HG SER A 30 -3.426 -14.815 -11.071 1.00 0.00 H new ATOM 460 N HIS A 31 -3.696 -10.728 -8.545 1.00 0.00 N ATOM 461 CA HIS A 31 -4.369 -10.436 -7.281 1.00 0.00 C ATOM 462 C HIS A 31 -3.716 -9.251 -6.581 1.00 0.00 C ATOM 463 O HIS A 31 -2.735 -8.699 -7.077 1.00 0.00 O ATOM 464 CB HIS A 31 -4.364 -11.666 -6.356 1.00 0.00 C ATOM 465 CG HIS A 31 -3.022 -12.323 -6.201 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.785 -13.623 -6.581 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.846 -11.857 -5.711 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.526 -13.931 -6.335 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.934 -12.877 -5.808 1.00 0.00 N ATOM 0 H HIS A 31 -2.700 -10.508 -8.551 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.404 -10.180 -7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.724 -11.366 -5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -5.071 -12.399 -6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.662 -10.868 -5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.059 -14.885 -6.532 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.043 -12.828 -5.519 1.00 0.00 H new ATOM 478 N ALA A 32 -4.261 -8.882 -5.425 1.00 0.00 N ATOM 479 CA ALA A 32 -3.757 -7.752 -4.652 1.00 0.00 C ATOM 480 C ALA A 32 -2.352 -8.023 -4.130 1.00 0.00 C ATOM 481 O ALA A 32 -2.044 -9.135 -3.691 1.00 0.00 O ATOM 482 CB ALA A 32 -4.695 -7.448 -3.499 1.00 0.00 C ATOM 0 H ALA A 32 -5.059 -9.355 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.709 -6.886 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.309 -6.603 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.683 -7.202 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.768 -8.320 -2.850 1.00 0.00 H new ATOM 488 N ILE A 33 -1.507 -7.003 -4.172 1.00 0.00 N ATOM 489 CA ILE A 33 -0.108 -7.147 -3.778 1.00 0.00 C ATOM 490 C ILE A 33 0.409 -5.885 -3.103 1.00 0.00 C ATOM 491 O ILE A 33 -0.122 -4.791 -3.308 1.00 0.00 O ATOM 492 CB ILE A 33 0.802 -7.462 -4.988 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.531 -6.474 -6.129 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.611 -8.902 -5.452 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.441 -6.657 -7.325 1.00 0.00 C ATOM 0 H ILE A 33 -1.764 -6.064 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.074 -7.981 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 33 1.841 -7.350 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.504 -6.582 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.643 -5.458 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.262 -9.099 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.862 -9.583 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.427 -9.055 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.189 -5.923 -8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.478 -6.519 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.313 -7.661 -7.730 1.00 0.00 H new ATOM 507 N ALA A 34 1.444 -6.054 -2.295 1.00 0.00 N ATOM 508 CA ALA A 34 2.119 -4.938 -1.655 1.00 0.00 C ATOM 509 C ALA A 34 3.609 -5.014 -1.955 1.00 0.00 C ATOM 510 O ALA A 34 4.224 -6.073 -1.808 1.00 0.00 O ATOM 511 CB ALA A 34 1.872 -4.953 -0.154 1.00 0.00 C ATOM 0 H ALA A 34 1.838 -6.966 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 34 1.721 -4.003 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.386 -4.110 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.802 -4.876 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.251 -5.884 0.268 1.00 0.00 H new ATOM 517 N PHE A 35 4.188 -3.908 -2.398 1.00 0.00 N ATOM 518 CA PHE A 35 5.586 -3.909 -2.797 1.00 0.00 C ATOM 519 C PHE A 35 6.244 -2.552 -2.580 1.00 0.00 C ATOM 520 O PHE A 35 5.580 -1.512 -2.560 1.00 0.00 O ATOM 521 CB PHE A 35 5.728 -4.343 -4.264 1.00 0.00 C ATOM 522 CG PHE A 35 4.888 -3.558 -5.240 1.00 0.00 C ATOM 523 CD1 PHE A 35 3.575 -3.926 -5.498 1.00 0.00 C ATOM 524 CD2 PHE A 35 5.415 -2.466 -5.910 1.00 0.00 C ATOM 525 CE1 PHE A 35 2.806 -3.215 -6.400 1.00 0.00 C ATOM 526 CE2 PHE A 35 4.652 -1.754 -6.814 1.00 0.00 C ATOM 527 CZ PHE A 35 3.346 -2.128 -7.060 1.00 0.00 C ATOM 0 H PHE A 35 3.717 -3.008 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 35 6.103 -4.628 -2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.775 -4.255 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.463 -5.397 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.149 -4.778 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.436 -2.168 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.784 -3.509 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.077 -0.905 -7.329 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.748 -1.572 -7.767 1.00 0.00 H new ATOM 537 N ALA A 36 7.558 -2.583 -2.413 1.00 0.00 N ATOM 538 CA ALA A 36 8.357 -1.379 -2.236 1.00 0.00 C ATOM 539 C ALA A 36 9.377 -1.272 -3.368 1.00 0.00 C ATOM 540 O ALA A 36 9.598 -2.250 -4.083 1.00 0.00 O ATOM 541 CB ALA A 36 9.049 -1.415 -0.878 1.00 0.00 C ATOM 0 H ALA A 36 8.102 -3.446 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 36 7.712 -0.501 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.646 -0.512 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.299 -1.469 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.697 -2.289 -0.823 1.00 0.00 H new ATOM 547 N PRO A 37 9.993 -0.092 -3.570 1.00 0.00 N ATOM 548 CA PRO A 37 11.008 0.098 -4.616 1.00 0.00 C ATOM 549 C PRO A 37 12.235 -0.770 -4.371 1.00 0.00 C ATOM 550 O PRO A 37 12.781 -1.375 -5.291 1.00 0.00 O ATOM 551 CB PRO A 37 11.378 1.582 -4.512 1.00 0.00 C ATOM 552 CG PRO A 37 10.263 2.211 -3.751 1.00 0.00 C ATOM 553 CD PRO A 37 9.746 1.151 -2.823 1.00 0.00 C ATOM 0 HA PRO A 37 10.635 -0.183 -5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.330 1.715 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.483 2.032 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.612 3.080 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.478 2.557 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.272 1.159 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.687 1.287 -2.605 1.00 0.00 H new ATOM 561 N GLU A 38 12.654 -0.824 -3.115 1.00 0.00 N ATOM 562 CA GLU A 38 13.773 -1.655 -2.711 1.00 0.00 C ATOM 563 C GLU A 38 13.310 -2.634 -1.642 1.00 0.00 C ATOM 564 O GLU A 38 13.134 -2.261 -0.480 1.00 0.00 O ATOM 565 CB GLU A 38 14.921 -0.787 -2.183 1.00 0.00 C ATOM 566 CG GLU A 38 16.166 -1.572 -1.804 1.00 0.00 C ATOM 567 CD GLU A 38 16.760 -2.325 -2.976 1.00 0.00 C ATOM 568 OE1 GLU A 38 17.529 -1.718 -3.752 1.00 0.00 O ATOM 569 OE2 GLU A 38 16.474 -3.531 -3.119 1.00 0.00 O ATOM 0 H GLU A 38 12.229 -0.295 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 38 14.140 -2.211 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.185 -0.051 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.573 -0.234 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.913 -0.888 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.918 -2.278 -1.011 1.00 0.00 H new ATOM 576 N GLY A 39 13.077 -3.871 -2.045 1.00 0.00 N ATOM 577 CA GLY A 39 12.613 -4.877 -1.118 1.00 0.00 C ATOM 578 C GLY A 39 11.846 -5.985 -1.809 1.00 0.00 C ATOM 579 O GLY A 39 12.016 -6.201 -3.010 1.00 0.00 O ATOM 0 H GLY A 39 13.202 -4.197 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.466 -5.303 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.975 -4.410 -0.368 1.00 0.00 H new ATOM 583 N PRO A 40 10.993 -6.707 -1.075 1.00 0.00 N ATOM 584 CA PRO A 40 10.232 -7.822 -1.606 1.00 0.00 C ATOM 585 C PRO A 40 8.840 -7.421 -2.100 1.00 0.00 C ATOM 586 O PRO A 40 8.339 -6.339 -1.787 1.00 0.00 O ATOM 587 CB PRO A 40 10.118 -8.754 -0.397 1.00 0.00 C ATOM 588 CG PRO A 40 10.345 -7.899 0.820 1.00 0.00 C ATOM 589 CD PRO A 40 10.705 -6.510 0.347 1.00 0.00 C ATOM 0 HA PRO A 40 10.713 -8.264 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.137 -9.227 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.856 -9.555 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.449 -7.871 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.145 -8.313 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.885 -5.808 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.568 -6.113 0.882 1.00 0.00 H new ATOM 597 N VAL A 41 8.235 -8.302 -2.888 1.00 0.00 N ATOM 598 CA VAL A 41 6.861 -8.126 -3.342 1.00 0.00 C ATOM 599 C VAL A 41 5.994 -9.223 -2.736 1.00 0.00 C ATOM 600 O VAL A 41 6.198 -10.406 -3.012 1.00 0.00 O ATOM 601 CB VAL A 41 6.754 -8.180 -4.884 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.323 -7.924 -5.335 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.707 -7.177 -5.525 1.00 0.00 C ATOM 0 H VAL A 41 8.680 -9.154 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 41 6.519 -7.143 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 41 7.040 -9.180 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.271 -7.967 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.666 -8.683 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.005 -6.938 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.616 -7.231 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.456 -6.171 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.731 -7.411 -5.235 1.00 0.00 H new ATOM 613 N ALA A 42 5.032 -8.838 -1.911 1.00 0.00 N ATOM 614 CA ALA A 42 4.247 -9.810 -1.169 1.00 0.00 C ATOM 615 C ALA A 42 2.789 -9.798 -1.607 1.00 0.00 C ATOM 616 O ALA A 42 2.246 -8.751 -1.966 1.00 0.00 O ATOM 617 CB ALA A 42 4.355 -9.545 0.326 1.00 0.00 C ATOM 0 H ALA A 42 4.778 -7.865 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 42 4.650 -10.800 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.762 -10.281 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.398 -9.620 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.983 -8.545 0.546 1.00 0.00 H new ATOM 623 N SER A 43 2.169 -10.968 -1.583 1.00 0.00 N ATOM 624 CA SER A 43 0.761 -11.091 -1.906 1.00 0.00 C ATOM 625 C SER A 43 -0.076 -10.665 -0.710 1.00 0.00 C ATOM 626 O SER A 43 0.139 -11.138 0.408 1.00 0.00 O ATOM 627 CB SER A 43 0.431 -12.535 -2.298 1.00 0.00 C ATOM 628 OG SER A 43 -0.916 -12.666 -2.724 1.00 0.00 O ATOM 0 H SER A 43 2.624 -11.848 -1.342 1.00 0.00 H new ATOM 0 HA SER A 43 0.531 -10.443 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.099 -12.857 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.610 -13.193 -1.448 1.00 0.00 H new ATOM 0 HG SER A 43 -1.093 -13.599 -2.968 1.00 0.00 H new ATOM 634 N TRP A 44 -1.020 -9.774 -0.942 1.00 0.00 N ATOM 635 CA TRP A 44 -1.865 -9.278 0.127 1.00 0.00 C ATOM 636 C TRP A 44 -3.190 -10.033 0.116 1.00 0.00 C ATOM 637 O TRP A 44 -3.934 -9.973 -0.863 1.00 0.00 O ATOM 638 CB TRP A 44 -2.089 -7.770 -0.043 1.00 0.00 C ATOM 639 CG TRP A 44 -2.382 -7.046 1.239 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.986 -7.407 2.495 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.112 -5.822 1.386 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.437 -6.492 3.414 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.130 -5.509 2.758 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.756 -4.963 0.492 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.765 -4.372 3.255 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.385 -3.835 0.986 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.385 -3.548 2.357 1.00 0.00 C ATOM 0 H TRP A 44 -1.221 -9.379 -1.861 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.379 -9.442 1.089 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.203 -7.331 -0.501 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.917 -7.612 -0.734 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.403 -8.285 2.731 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.281 -6.537 4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.762 -5.176 -0.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.767 -4.150 4.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.885 -3.164 0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.884 -2.659 2.712 1.00 0.00 H new ATOM 658 N PRO A 45 -3.490 -10.778 1.198 1.00 0.00 N ATOM 659 CA PRO A 45 -4.714 -11.594 1.311 1.00 0.00 C ATOM 660 C PRO A 45 -5.979 -10.749 1.488 1.00 0.00 C ATOM 661 O PRO A 45 -6.927 -11.156 2.160 1.00 0.00 O ATOM 662 CB PRO A 45 -4.469 -12.446 2.569 1.00 0.00 C ATOM 663 CG PRO A 45 -3.025 -12.263 2.906 1.00 0.00 C ATOM 664 CD PRO A 45 -2.653 -10.904 2.396 1.00 0.00 C ATOM 0 HA PRO A 45 -4.886 -12.177 0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.107 -12.122 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.698 -13.495 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.863 -12.334 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.414 -13.036 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.868 -10.123 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.591 -10.835 2.159 1.00 0.00 H new ATOM 672 N VAL A 46 -5.987 -9.586 0.862 1.00 0.00 N ATOM 673 CA VAL A 46 -7.103 -8.666 0.936 1.00 0.00 C ATOM 674 C VAL A 46 -7.740 -8.526 -0.441 1.00 0.00 C ATOM 675 O VAL A 46 -7.055 -8.230 -1.418 1.00 0.00 O ATOM 676 CB VAL A 46 -6.639 -7.284 1.448 1.00 0.00 C ATOM 677 CG1 VAL A 46 -7.774 -6.275 1.435 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.065 -7.413 2.849 1.00 0.00 C ATOM 0 H VAL A 46 -5.214 -9.253 0.285 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.838 -9.061 1.638 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.864 -6.919 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.411 -5.315 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.145 -6.158 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.581 -6.627 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.741 -6.434 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.829 -7.805 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.213 -8.093 2.832 1.00 0.00 H new ATOM 688 N GLN A 47 -9.039 -8.765 -0.523 1.00 0.00 N ATOM 689 CA GLN A 47 -9.731 -8.726 -1.805 1.00 0.00 C ATOM 690 C GLN A 47 -10.465 -7.407 -1.985 1.00 0.00 C ATOM 691 O GLN A 47 -10.346 -6.748 -3.016 1.00 0.00 O ATOM 692 CB GLN A 47 -10.730 -9.877 -1.911 1.00 0.00 C ATOM 693 CG GLN A 47 -10.110 -11.254 -1.744 1.00 0.00 C ATOM 694 CD GLN A 47 -11.143 -12.359 -1.814 1.00 0.00 C ATOM 695 OE1 GLN A 47 -12.308 -12.160 -1.465 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.728 -13.533 -2.253 1.00 0.00 N ATOM 0 H GLN A 47 -9.634 -8.987 0.276 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.981 -8.825 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.503 -9.744 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.223 -9.828 -2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.361 -11.410 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.592 -11.304 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.755 -13.658 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.380 -14.315 -2.312 1.00 0.00 H new ATOM 705 N ARG A 48 -11.225 -7.034 -0.973 1.00 0.00 N ATOM 706 CA ARG A 48 -12.066 -5.854 -1.041 1.00 0.00 C ATOM 707 C ARG A 48 -11.489 -4.751 -0.170 1.00 0.00 C ATOM 708 O ARG A 48 -10.826 -5.027 0.828 1.00 0.00 O ATOM 709 CB ARG A 48 -13.474 -6.209 -0.562 1.00 0.00 C ATOM 710 CG ARG A 48 -14.017 -7.476 -1.194 1.00 0.00 C ATOM 711 CD ARG A 48 -15.264 -7.969 -0.485 1.00 0.00 C ATOM 712 NE ARG A 48 -15.639 -9.306 -0.934 1.00 0.00 N ATOM 713 CZ ARG A 48 -16.499 -10.094 -0.298 1.00 0.00 C ATOM 714 NH1 ARG A 48 -17.103 -9.675 0.810 1.00 0.00 N ATOM 715 NH2 ARG A 48 -16.750 -11.306 -0.775 1.00 0.00 N ATOM 0 H ARG A 48 -11.277 -7.536 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.109 -5.501 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.464 -6.327 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.147 -5.381 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.245 -7.290 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.252 -8.252 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.092 -7.980 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.086 -7.278 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.213 -9.658 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.907 -8.744 1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.762 -10.285 1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.284 -11.627 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.409 -11.917 -0.293 1.00 0.00 H new ATOM 729 N PRO A 49 -11.729 -3.484 -0.530 1.00 0.00 N ATOM 730 CA PRO A 49 -11.317 -2.344 0.293 1.00 0.00 C ATOM 731 C PRO A 49 -11.952 -2.389 1.685 1.00 0.00 C ATOM 732 O PRO A 49 -11.465 -1.761 2.624 1.00 0.00 O ATOM 733 CB PRO A 49 -11.813 -1.121 -0.491 1.00 0.00 C ATOM 734 CG PRO A 49 -12.807 -1.649 -1.471 1.00 0.00 C ATOM 735 CD PRO A 49 -12.387 -3.056 -1.775 1.00 0.00 C ATOM 0 HA PRO A 49 -10.241 -2.333 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.269 -0.388 0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.989 -0.621 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.814 -1.625 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.821 -1.043 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.241 -3.688 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.707 -3.099 -2.626 1.00 0.00 H new ATOM 743 N ALA A 50 -13.036 -3.149 1.805 1.00 0.00 N ATOM 744 CA ALA A 50 -13.729 -3.317 3.076 1.00 0.00 C ATOM 745 C ALA A 50 -13.002 -4.315 3.977 1.00 0.00 C ATOM 746 O ALA A 50 -13.191 -4.313 5.193 1.00 0.00 O ATOM 747 CB ALA A 50 -15.163 -3.767 2.835 1.00 0.00 C ATOM 0 H ALA A 50 -13.456 -3.662 1.030 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.739 -2.354 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.672 -3.889 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.685 -3.017 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.161 -4.717 2.301 1.00 0.00 H new ATOM 753 N ASP A 51 -12.164 -5.156 3.372 1.00 0.00 N ATOM 754 CA ASP A 51 -11.392 -6.152 4.119 1.00 0.00 C ATOM 755 C ASP A 51 -10.334 -5.479 4.984 1.00 0.00 C ATOM 756 O ASP A 51 -9.950 -6.004 6.028 1.00 0.00 O ATOM 757 CB ASP A 51 -10.689 -7.134 3.171 1.00 0.00 C ATOM 758 CG ASP A 51 -11.585 -8.224 2.625 1.00 0.00 C ATOM 759 OD1 ASP A 51 -12.018 -9.096 3.409 1.00 0.00 O ATOM 760 OD2 ASP A 51 -11.834 -8.240 1.403 1.00 0.00 O ATOM 0 H ASP A 51 -12.001 -5.168 2.365 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.096 -6.695 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.267 -6.575 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.855 -7.596 3.699 1.00 0.00 H new ATOM 765 N ILE A 52 -9.876 -4.314 4.535 1.00 0.00 N ATOM 766 CA ILE A 52 -8.744 -3.622 5.148 1.00 0.00 C ATOM 767 C ILE A 52 -8.936 -3.395 6.647 1.00 0.00 C ATOM 768 O ILE A 52 -9.827 -2.660 7.076 1.00 0.00 O ATOM 769 CB ILE A 52 -8.476 -2.267 4.464 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.188 -2.473 2.976 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.310 -1.556 5.138 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.956 -1.183 2.220 1.00 0.00 C ATOM 0 H ILE A 52 -10.278 -3.823 3.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.885 -4.278 5.009 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.365 -1.644 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.310 -3.110 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.025 -3.005 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.132 -0.601 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.547 -1.384 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.415 -2.174 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.758 -1.406 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.842 -0.553 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.101 -0.660 2.647 1.00 0.00 H new ATOM 784 N THR A 53 -8.080 -4.039 7.427 1.00 0.00 N ATOM 785 CA THR A 53 -8.058 -3.878 8.870 1.00 0.00 C ATOM 786 C THR A 53 -6.666 -3.395 9.294 1.00 0.00 C ATOM 787 O THR A 53 -5.706 -3.553 8.535 1.00 0.00 O ATOM 788 CB THR A 53 -8.395 -5.220 9.557 1.00 0.00 C ATOM 789 OG1 THR A 53 -9.515 -5.826 8.897 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.727 -5.025 11.030 1.00 0.00 C ATOM 0 H THR A 53 -7.379 -4.690 7.073 1.00 0.00 H new ATOM 0 HA THR A 53 -8.804 -3.143 9.171 1.00 0.00 H new ATOM 0 HB THR A 53 -7.519 -5.864 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.729 -6.678 9.331 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.959 -5.990 11.481 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.872 -4.582 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.588 -4.364 11.124 1.00 0.00 H new ATOM 798 N ALA A 54 -6.558 -2.802 10.485 1.00 0.00 N ATOM 799 CA ALA A 54 -5.284 -2.267 10.977 1.00 0.00 C ATOM 800 C ALA A 54 -4.167 -3.310 10.922 1.00 0.00 C ATOM 801 O ALA A 54 -3.052 -3.018 10.488 1.00 0.00 O ATOM 802 CB ALA A 54 -5.444 -1.750 12.399 1.00 0.00 C ATOM 0 H ALA A 54 -7.339 -2.679 11.129 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.001 -1.444 10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.491 -1.356 12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.193 -0.958 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.763 -2.565 13.049 1.00 0.00 H new ATOM 808 N SER A 55 -4.478 -4.525 11.350 1.00 0.00 N ATOM 809 CA SER A 55 -3.509 -5.613 11.353 1.00 0.00 C ATOM 810 C SER A 55 -3.055 -5.953 9.935 1.00 0.00 C ATOM 811 O SER A 55 -1.889 -6.277 9.704 1.00 0.00 O ATOM 812 CB SER A 55 -4.123 -6.840 12.025 1.00 0.00 C ATOM 813 OG SER A 55 -5.456 -7.045 11.582 1.00 0.00 O ATOM 0 H SER A 55 -5.400 -4.784 11.702 1.00 0.00 H new ATOM 0 HA SER A 55 -2.630 -5.294 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.522 -7.721 11.802 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.111 -6.711 13.107 1.00 0.00 H new ATOM 0 HG SER A 55 -5.829 -7.836 12.023 1.00 0.00 H new ATOM 819 N LEU A 56 -3.977 -5.855 8.986 1.00 0.00 N ATOM 820 CA LEU A 56 -3.680 -6.165 7.594 1.00 0.00 C ATOM 821 C LEU A 56 -2.751 -5.112 7.003 1.00 0.00 C ATOM 822 O LEU A 56 -1.924 -5.414 6.142 1.00 0.00 O ATOM 823 CB LEU A 56 -4.969 -6.249 6.772 1.00 0.00 C ATOM 824 CG LEU A 56 -6.014 -7.233 7.305 1.00 0.00 C ATOM 825 CD1 LEU A 56 -7.190 -7.332 6.351 1.00 0.00 C ATOM 826 CD2 LEU A 56 -5.397 -8.602 7.532 1.00 0.00 C ATOM 0 H LEU A 56 -4.939 -5.562 9.156 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.182 -7.134 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.417 -5.257 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.713 -6.532 5.751 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.377 -6.858 8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.922 -8.036 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.653 -6.351 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.841 -7.680 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.157 -9.285 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.002 -8.984 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.588 -8.521 8.258 1.00 0.00 H new ATOM 838 N LEU A 57 -2.886 -3.881 7.483 1.00 0.00 N ATOM 839 CA LEU A 57 -2.015 -2.792 7.062 1.00 0.00 C ATOM 840 C LEU A 57 -0.592 -3.041 7.544 1.00 0.00 C ATOM 841 O LEU A 57 0.373 -2.721 6.855 1.00 0.00 O ATOM 842 CB LEU A 57 -2.527 -1.456 7.604 1.00 0.00 C ATOM 843 CG LEU A 57 -3.880 -1.002 7.056 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.326 0.282 7.739 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.801 -0.802 5.550 1.00 0.00 C ATOM 0 H LEU A 57 -3.594 -3.612 8.167 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.017 -2.749 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.599 -1.527 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.788 -0.686 7.383 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.616 -1.778 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.291 0.592 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.417 0.111 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.590 1.065 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.772 -0.479 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.053 -0.043 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.522 -1.741 5.072 1.00 0.00 H new ATOM 857 N GLN A 58 -0.472 -3.630 8.728 1.00 0.00 N ATOM 858 CA GLN A 58 0.829 -3.985 9.281 1.00 0.00 C ATOM 859 C GLN A 58 1.491 -5.062 8.429 1.00 0.00 C ATOM 860 O GLN A 58 2.710 -5.072 8.249 1.00 0.00 O ATOM 861 CB GLN A 58 0.681 -4.478 10.720 1.00 0.00 C ATOM 862 CG GLN A 58 0.160 -3.420 11.677 1.00 0.00 C ATOM 863 CD GLN A 58 -0.033 -3.952 13.082 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.340 -5.126 13.278 1.00 0.00 O ATOM 865 NE2 GLN A 58 0.154 -3.093 14.069 1.00 0.00 N ATOM 0 H GLN A 58 -1.263 -3.872 9.325 1.00 0.00 H new ATOM 0 HA GLN A 58 1.458 -3.095 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.005 -5.333 10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.649 -4.831 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.857 -2.582 11.702 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.789 -3.034 11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.408 -2.127 13.863 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.044 -3.396 15.037 1.00 0.00 H new ATOM 874 N GLN A 59 0.674 -5.964 7.899 1.00 0.00 N ATOM 875 CA GLN A 59 1.165 -7.022 7.028 1.00 0.00 C ATOM 876 C GLN A 59 1.601 -6.447 5.685 1.00 0.00 C ATOM 877 O GLN A 59 2.621 -6.851 5.130 1.00 0.00 O ATOM 878 CB GLN A 59 0.085 -8.089 6.827 1.00 0.00 C ATOM 879 CG GLN A 59 -0.369 -8.741 8.124 1.00 0.00 C ATOM 880 CD GLN A 59 -1.460 -9.773 7.917 1.00 0.00 C ATOM 881 OE1 GLN A 59 -2.260 -9.676 6.987 1.00 0.00 O ATOM 882 NE2 GLN A 59 -1.505 -10.768 8.790 1.00 0.00 N ATOM 0 H GLN A 59 -0.333 -5.983 8.058 1.00 0.00 H new ATOM 0 HA GLN A 59 2.030 -7.487 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.776 -7.636 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.466 -8.859 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.486 -9.216 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.730 -7.970 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.823 -10.813 9.548 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.221 -11.489 8.705 1.00 0.00 H new ATOM 891 N ALA A 60 0.834 -5.482 5.185 1.00 0.00 N ATOM 892 CA ALA A 60 1.152 -4.818 3.923 1.00 0.00 C ATOM 893 C ALA A 60 2.390 -3.942 4.068 1.00 0.00 C ATOM 894 O ALA A 60 3.074 -3.647 3.090 1.00 0.00 O ATOM 895 CB ALA A 60 -0.028 -3.983 3.453 1.00 0.00 C ATOM 0 H ALA A 60 -0.015 -5.141 5.636 1.00 0.00 H new ATOM 0 HA ALA A 60 1.360 -5.586 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.224 -3.494 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.895 -4.628 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.261 -3.227 4.203 1.00 0.00 H new ATOM 901 N ALA A 61 2.665 -3.528 5.297 1.00 0.00 N ATOM 902 CA ALA A 61 3.828 -2.709 5.588 1.00 0.00 C ATOM 903 C ALA A 61 5.083 -3.568 5.713 1.00 0.00 C ATOM 904 O ALA A 61 6.191 -3.050 5.822 1.00 0.00 O ATOM 905 CB ALA A 61 3.600 -1.910 6.863 1.00 0.00 C ATOM 0 H ALA A 61 2.093 -3.749 6.112 1.00 0.00 H new ATOM 0 HA ALA A 61 3.976 -2.016 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.478 -1.299 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.731 -1.264 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.427 -2.593 7.695 1.00 0.00 H new ATOM 911 N GLY A 62 4.897 -4.884 5.694 1.00 0.00 N ATOM 912 CA GLY A 62 6.017 -5.795 5.807 1.00 0.00 C ATOM 913 C GLY A 62 6.653 -5.760 7.182 1.00 0.00 C ATOM 914 O GLY A 62 7.870 -5.870 7.315 1.00 0.00 O ATOM 0 H GLY A 62 3.987 -5.335 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.680 -6.809 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.766 -5.541 5.057 1.00 0.00 H new ATOM 918 N LEU A 63 5.825 -5.626 8.211 1.00 0.00 N ATOM 919 CA LEU A 63 6.316 -5.527 9.582 1.00 0.00 C ATOM 920 C LEU A 63 6.597 -6.906 10.178 1.00 0.00 C ATOM 921 O LEU A 63 6.783 -7.048 11.389 1.00 0.00 O ATOM 922 CB LEU A 63 5.307 -4.774 10.451 1.00 0.00 C ATOM 923 CG LEU A 63 5.046 -3.326 10.029 1.00 0.00 C ATOM 924 CD1 LEU A 63 3.996 -2.691 10.926 1.00 0.00 C ATOM 925 CD2 LEU A 63 6.335 -2.517 10.065 1.00 0.00 C ATOM 0 H LEU A 63 4.810 -5.583 8.123 1.00 0.00 H new ATOM 0 HA LEU A 63 7.255 -4.974 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.362 -5.317 10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.663 -4.778 11.481 1.00 0.00 H new ATOM 0 HG LEU A 63 4.670 -3.330 9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.823 -1.662 10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.066 -3.254 10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.345 -2.701 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.129 -1.490 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.740 -2.522 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.061 -2.958 9.382 1.00 0.00 H new ATOM 1274 N ALA A 88 10.433 0.028 8.925 1.00 0.00 N ATOM 1275 CA ALA A 88 9.036 0.417 8.842 1.00 0.00 C ATOM 1276 C ALA A 88 8.842 1.448 7.735 1.00 0.00 C ATOM 1277 O ALA A 88 9.621 2.396 7.622 1.00 0.00 O ATOM 1278 CB ALA A 88 8.560 0.970 10.176 1.00 0.00 C ATOM 0 HA ALA A 88 8.441 -0.464 8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.511 1.257 10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.671 0.207 10.947 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.156 1.843 10.442 1.00 0.00 H new ATOM 1284 N PRO A 89 7.813 1.264 6.895 1.00 0.00 N ATOM 1285 CA PRO A 89 7.524 2.170 5.781 1.00 0.00 C ATOM 1286 C PRO A 89 7.334 3.612 6.231 1.00 0.00 C ATOM 1287 O PRO A 89 6.542 3.895 7.131 1.00 0.00 O ATOM 1288 CB PRO A 89 6.219 1.624 5.198 1.00 0.00 C ATOM 1289 CG PRO A 89 6.183 0.198 5.617 1.00 0.00 C ATOM 1290 CD PRO A 89 6.856 0.148 6.958 1.00 0.00 C ATOM 0 HA PRO A 89 8.348 2.200 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.356 2.170 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.201 1.718 4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.157 -0.165 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.701 -0.435 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.142 0.275 7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.359 -0.805 7.121 1.00 0.00 H new ATOM 1298 N GLU A 90 8.066 4.516 5.597 1.00 0.00 N ATOM 1299 CA GLU A 90 7.949 5.937 5.874 1.00 0.00 C ATOM 1300 C GLU A 90 6.555 6.418 5.489 1.00 0.00 C ATOM 1301 O GLU A 90 5.883 7.120 6.250 1.00 0.00 O ATOM 1302 CB GLU A 90 9.008 6.700 5.079 1.00 0.00 C ATOM 1303 CG GLU A 90 9.046 8.190 5.360 1.00 0.00 C ATOM 1304 CD GLU A 90 9.932 8.928 4.383 1.00 0.00 C ATOM 1305 OE1 GLU A 90 10.948 8.351 3.935 1.00 0.00 O ATOM 1306 OE2 GLU A 90 9.609 10.084 4.044 1.00 0.00 O ATOM 0 H GLU A 90 8.754 4.285 4.880 1.00 0.00 H new ATOM 0 HA GLU A 90 8.105 6.117 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.987 6.275 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.827 6.547 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.035 8.594 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.406 8.358 6.375 1.00 0.00 H new ATOM 1313 N VAL A 91 6.129 6.018 4.301 1.00 0.00 N ATOM 1314 CA VAL A 91 4.798 6.331 3.814 1.00 0.00 C ATOM 1315 C VAL A 91 4.193 5.105 3.131 1.00 0.00 C ATOM 1316 O VAL A 91 4.846 4.441 2.322 1.00 0.00 O ATOM 1317 CB VAL A 91 4.814 7.547 2.852 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.832 7.358 1.739 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.429 7.805 2.272 1.00 0.00 C ATOM 0 H VAL A 91 6.694 5.470 3.652 1.00 0.00 H new ATOM 0 HA VAL A 91 4.178 6.604 4.668 1.00 0.00 H new ATOM 0 HB VAL A 91 5.109 8.420 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.818 8.228 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.826 7.245 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.582 6.466 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.470 8.663 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.097 6.927 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.728 8.010 3.081 1.00 0.00 H new ATOM 1329 N LEU A 92 2.958 4.794 3.487 1.00 0.00 N ATOM 1330 CA LEU A 92 2.267 3.638 2.939 1.00 0.00 C ATOM 1331 C LEU A 92 1.083 4.091 2.099 1.00 0.00 C ATOM 1332 O LEU A 92 0.158 4.724 2.607 1.00 0.00 O ATOM 1333 CB LEU A 92 1.794 2.715 4.069 1.00 0.00 C ATOM 1334 CG LEU A 92 1.079 1.435 3.622 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.022 0.534 2.842 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.513 0.696 4.824 1.00 0.00 C ATOM 0 H LEU A 92 2.409 5.331 4.159 1.00 0.00 H new ATOM 0 HA LEU A 92 2.958 3.083 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.658 2.436 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.122 3.278 4.717 1.00 0.00 H new ATOM 0 HG LEU A 92 0.255 1.716 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.493 -0.368 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.382 1.062 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.869 0.261 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.009 -0.210 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.324 0.431 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.200 1.337 5.343 1.00 0.00 H new ATOM 1348 N LEU A 93 1.122 3.781 0.816 1.00 0.00 N ATOM 1349 CA LEU A 93 0.053 4.166 -0.090 1.00 0.00 C ATOM 1350 C LEU A 93 -0.859 2.981 -0.365 1.00 0.00 C ATOM 1351 O LEU A 93 -0.427 1.965 -0.912 1.00 0.00 O ATOM 1352 CB LEU A 93 0.626 4.706 -1.402 1.00 0.00 C ATOM 1353 CG LEU A 93 1.495 5.959 -1.269 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.001 6.401 -2.632 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.715 7.082 -0.605 1.00 0.00 C ATOM 0 H LEU A 93 1.883 3.263 0.377 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.530 4.956 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.219 3.921 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.201 4.927 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 93 2.353 5.717 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.617 7.293 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.596 5.603 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.153 6.625 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.349 7.964 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.161 7.322 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.397 6.766 0.388 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.113 3.103 0.031 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.079 2.040 -0.179 1.00 0.00 C ATOM 1369 C VAL A 94 -4.012 2.389 -1.331 1.00 0.00 C ATOM 1370 O VAL A 94 -4.828 3.304 -1.223 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.912 1.767 1.093 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.864 0.599 0.876 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.002 1.502 2.283 1.00 0.00 C ATOM 0 H VAL A 94 -2.487 3.928 0.500 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.519 1.137 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.507 2.655 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.440 0.425 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.543 0.830 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.292 -0.296 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.608 1.312 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.378 0.633 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.368 2.371 2.457 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.872 1.673 -2.436 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.734 1.889 -3.578 1.00 0.00 C ATOM 1385 C GLY A 95 -5.927 0.963 -3.543 1.00 0.00 C ATOM 1386 O GLY A 95 -5.834 -0.190 -3.961 1.00 0.00 O ATOM 0 H GLY A 95 -3.172 0.942 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.074 2.925 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.172 1.728 -4.498 1.00 0.00 H new ATOM 1390 N THR A 96 -7.045 1.464 -3.040 1.00 0.00 N ATOM 1391 CA THR A 96 -8.230 0.646 -2.837 1.00 0.00 C ATOM 1392 C THR A 96 -9.023 0.464 -4.133 1.00 0.00 C ATOM 1393 O THR A 96 -9.919 -0.379 -4.216 1.00 0.00 O ATOM 1394 CB THR A 96 -9.123 1.266 -1.753 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.373 2.641 -2.061 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.467 1.169 -0.385 1.00 0.00 C ATOM 0 H THR A 96 -7.156 2.440 -2.763 1.00 0.00 H new ATOM 0 HA THR A 96 -7.898 -0.340 -2.511 1.00 0.00 H new ATOM 0 HB THR A 96 -10.062 0.714 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.940 3.210 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.121 1.616 0.364 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.294 0.122 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.515 1.700 -0.399 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.697 1.272 -5.133 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.275 1.103 -6.451 1.00 0.00 C ATOM 1406 C GLY A 97 -10.708 1.587 -6.556 1.00 0.00 C ATOM 1407 O GLY A 97 -10.959 2.788 -6.661 1.00 0.00 O ATOM 0 H GLY A 97 -8.038 2.046 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.665 1.641 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.237 0.048 -6.722 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.641 0.642 -6.522 1.00 0.00 N ATOM 1412 CA ARG A 98 -13.056 0.925 -6.755 1.00 0.00 C ATOM 1413 C ARG A 98 -13.617 1.866 -5.691 1.00 0.00 C ATOM 1414 O ARG A 98 -14.119 2.946 -6.005 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.840 -0.390 -6.774 1.00 0.00 C ATOM 1416 CG ARG A 98 -15.300 -0.246 -7.174 1.00 0.00 C ATOM 1417 CD ARG A 98 -15.952 -1.609 -7.327 1.00 0.00 C ATOM 1418 NE ARG A 98 -17.334 -1.530 -7.795 1.00 0.00 N ATOM 1419 CZ ARG A 98 -17.871 -2.393 -8.654 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -17.115 -3.327 -9.215 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -19.154 -2.297 -8.972 1.00 0.00 N ATOM 0 H ARG A 98 -11.440 -0.340 -6.333 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.157 1.424 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.353 -1.079 -7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.790 -0.843 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.833 0.335 -6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.373 0.305 -8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.370 -2.208 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.928 -2.127 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.919 -0.772 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.122 -3.384 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.526 -3.989 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -19.728 -1.562 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.567 -2.958 -9.630 1.00 0.00 H new ATOM 1435 N ARG A 99 -13.527 1.446 -4.440 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.978 2.258 -3.320 1.00 0.00 C ATOM 1437 C ARG A 99 -12.787 2.756 -2.529 1.00 0.00 C ATOM 1438 O ARG A 99 -11.984 1.952 -2.062 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.891 1.448 -2.396 1.00 0.00 C ATOM 1440 CG ARG A 99 -16.358 1.480 -2.785 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.936 2.877 -2.632 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.369 2.909 -2.903 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.918 3.568 -3.919 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -18.154 4.266 -4.749 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -20.233 3.544 -4.093 1.00 0.00 N ATOM 0 H ARG A 99 -13.143 0.540 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.537 3.105 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.552 0.412 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.788 1.827 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.471 1.148 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -16.917 0.782 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.750 3.237 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.423 3.558 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.987 2.395 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.144 4.298 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.576 4.771 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.823 3.020 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.654 4.050 -4.873 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.656 4.067 -2.388 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.588 4.619 -1.571 1.00 0.00 C ATOM 1461 C GLN A 100 -11.923 4.420 -0.101 1.00 0.00 C ATOM 1462 O GLN A 100 -12.691 5.182 0.487 1.00 0.00 O ATOM 1463 CB GLN A 100 -11.344 6.102 -1.869 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.166 6.671 -1.089 1.00 0.00 C ATOM 1465 CD GLN A 100 -9.878 8.126 -1.404 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -10.115 8.599 -2.516 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -9.361 8.846 -0.422 1.00 0.00 N ATOM 0 H GLN A 100 -13.267 4.759 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.667 4.090 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.163 6.229 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.243 6.670 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.365 6.571 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.277 6.078 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.180 8.416 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.144 9.831 -0.572 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.367 3.364 0.474 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.644 3.012 1.855 1.00 0.00 C ATOM 1478 C HIS A 101 -10.947 3.968 2.807 1.00 0.00 C ATOM 1479 O HIS A 101 -9.732 3.900 2.994 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.210 1.571 2.145 1.00 0.00 C ATOM 1481 CG HIS A 101 -11.422 1.152 3.570 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -10.388 0.903 4.445 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -12.561 0.944 4.273 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -10.880 0.560 5.620 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -12.198 0.577 5.547 1.00 0.00 N ATOM 0 H HIS A 101 -10.718 2.734 0.001 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.720 3.091 2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.762 0.896 1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.154 1.462 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.570 1.048 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.301 0.307 6.496 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.839 0.355 6.308 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.723 4.862 3.393 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.210 5.771 4.399 1.00 0.00 C ATOM 1496 C LEU A 102 -10.880 4.993 5.663 1.00 0.00 C ATOM 1497 O LEU A 102 -11.588 4.048 6.019 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.232 6.869 4.702 1.00 0.00 C ATOM 1499 CG LEU A 102 -12.644 7.724 3.500 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -13.707 8.731 3.904 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -11.437 8.434 2.903 1.00 0.00 C ATOM 0 H LEU A 102 -12.715 4.977 3.187 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.304 6.245 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.125 6.406 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.821 7.524 5.470 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.062 7.065 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.988 9.330 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.583 8.204 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.313 9.383 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.753 9.035 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.986 9.081 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.706 7.695 2.574 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.804 5.369 6.323 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.374 4.670 7.518 1.00 0.00 C ATOM 1515 C LEU A 103 -9.946 5.332 8.760 1.00 0.00 C ATOM 1516 O LEU A 103 -10.364 6.492 8.723 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.846 4.635 7.597 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.154 3.919 6.434 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.644 4.000 6.583 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -7.599 2.467 6.355 1.00 0.00 C ATOM 0 H LEU A 103 -9.211 6.154 6.053 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.746 3.647 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.476 5.659 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.556 4.148 8.528 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.440 4.418 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.168 3.486 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.335 5.045 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.345 3.527 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.095 1.977 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.344 1.957 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.677 2.425 6.202 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.975 4.589 9.850 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.450 5.125 11.105 1.00 0.00 C ATOM 1534 C GLY A 104 -9.308 5.392 12.060 1.00 0.00 C ATOM 1535 O GLY A 104 -8.214 4.854 11.873 1.00 0.00 O ATOM 0 H GLY A 104 -9.675 3.615 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.998 6.050 10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.150 4.424 11.560 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.534 6.207 13.100 1.00 0.00 N ATOM 1540 CA PRO A 105 -8.482 6.597 14.046 1.00 0.00 C ATOM 1541 C PRO A 105 -7.793 5.391 14.672 1.00 0.00 C ATOM 1542 O PRO A 105 -6.568 5.296 14.668 1.00 0.00 O ATOM 1543 CB PRO A 105 -9.229 7.396 15.116 1.00 0.00 C ATOM 1544 CG PRO A 105 -10.465 7.881 14.438 1.00 0.00 C ATOM 1545 CD PRO A 105 -10.833 6.818 13.441 1.00 0.00 C ATOM 0 HA PRO A 105 -7.689 7.161 13.555 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.469 6.774 15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.626 8.228 15.481 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.269 8.037 15.157 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.290 8.836 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.521 6.088 13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.321 7.242 12.563 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.591 4.460 15.176 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.068 3.270 15.844 1.00 0.00 C ATOM 1555 C GLU A 106 -7.237 2.411 14.892 1.00 0.00 C ATOM 1556 O GLU A 106 -6.342 1.684 15.325 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.210 2.438 16.435 1.00 0.00 C ATOM 1558 CG GLU A 106 -9.824 3.029 17.698 1.00 0.00 C ATOM 1559 CD GLU A 106 -10.352 4.435 17.500 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -11.275 4.614 16.682 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -9.840 5.364 18.161 1.00 0.00 O ATOM 0 H GLU A 106 -9.609 4.504 15.136 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.418 3.608 16.651 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.991 2.327 15.683 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.838 1.438 16.659 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.637 2.386 18.035 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.075 3.037 18.490 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.520 2.514 13.602 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.839 1.695 12.606 1.00 0.00 C ATOM 1570 C GLN A 107 -5.434 2.216 12.327 1.00 0.00 C ATOM 1571 O GLN A 107 -4.512 1.440 12.085 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.647 1.655 11.309 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.034 1.058 11.476 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.797 0.979 10.168 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.611 1.804 9.274 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.658 -0.019 10.049 1.00 0.00 N ATOM 0 H GLN A 107 -8.215 3.155 13.219 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.754 0.685 13.007 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.741 2.668 10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.098 1.076 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.946 0.059 11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.601 1.659 12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.781 -0.681 10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.199 -0.127 9.191 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.269 3.529 12.380 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.984 4.139 12.062 1.00 0.00 C ATOM 1587 C VAL A 108 -3.104 4.292 13.301 1.00 0.00 C ATOM 1588 O VAL A 108 -1.911 4.569 13.183 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.153 5.513 11.378 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.840 5.359 10.031 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.929 6.475 12.265 1.00 0.00 C ATOM 0 H VAL A 108 -6.002 4.190 12.638 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.491 3.460 11.366 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.160 5.931 11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.950 6.338 9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.239 4.716 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.824 4.912 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.033 7.434 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.918 6.064 12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.393 6.617 13.204 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.691 4.089 14.482 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.976 4.250 15.744 1.00 0.00 C ATOM 1603 C ARG A 109 -1.662 3.450 15.787 1.00 0.00 C ATOM 1604 O ARG A 109 -0.604 4.032 16.026 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.865 3.852 16.927 1.00 0.00 C ATOM 1606 CG ARG A 109 -5.060 4.763 17.148 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.787 4.426 18.442 1.00 0.00 C ATOM 1608 NE ARG A 109 -6.089 2.996 18.554 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.654 2.440 19.627 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.092 3.201 20.623 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -6.808 1.124 19.689 1.00 0.00 N ATOM 0 H ARG A 109 -4.667 3.811 14.588 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.719 5.307 15.821 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.223 2.835 16.770 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.259 3.841 17.833 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.727 5.801 17.176 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.749 4.672 16.308 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.176 4.734 19.290 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.715 4.996 18.494 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.854 2.392 17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.997 4.215 20.570 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -7.523 2.771 21.441 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.494 0.537 18.916 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.240 0.699 20.510 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.693 2.116 15.549 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.490 1.276 15.656 1.00 0.00 C ATOM 1627 C PRO A 110 0.613 1.686 14.682 1.00 0.00 C ATOM 1628 O PRO A 110 1.797 1.616 15.008 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.995 -0.136 15.326 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.277 0.068 14.598 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.877 1.315 15.174 1.00 0.00 C ATOM 0 HA PRO A 110 -0.037 1.362 16.644 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.276 -0.678 14.712 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.146 -0.722 16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.106 0.174 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.943 -0.785 14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.501 1.835 14.447 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.506 1.098 16.037 1.00 0.00 H new ATOM 1639 N LEU A 111 0.226 2.127 13.494 1.00 0.00 N ATOM 1640 CA LEU A 111 1.194 2.476 12.465 1.00 0.00 C ATOM 1641 C LEU A 111 1.763 3.869 12.695 1.00 0.00 C ATOM 1642 O LEU A 111 2.956 4.101 12.491 1.00 0.00 O ATOM 1643 CB LEU A 111 0.564 2.365 11.076 1.00 0.00 C ATOM 1644 CG LEU A 111 0.172 0.943 10.669 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.466 0.937 9.293 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.388 0.030 10.696 1.00 0.00 C ATOM 0 H LEU A 111 -0.748 2.251 13.219 1.00 0.00 H new ATOM 0 HA LEU A 111 2.020 1.768 12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.324 2.997 11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.265 2.760 10.340 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.559 0.569 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.737 -0.083 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.361 1.560 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.241 1.330 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.093 -0.978 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.139 0.404 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.805 0.009 11.703 1.00 0.00 H new ATOM 1658 N LEU A 112 0.923 4.793 13.145 1.00 0.00 N ATOM 1659 CA LEU A 112 1.379 6.140 13.462 1.00 0.00 C ATOM 1660 C LEU A 112 2.269 6.120 14.699 1.00 0.00 C ATOM 1661 O LEU A 112 3.097 7.009 14.899 1.00 0.00 O ATOM 1662 CB LEU A 112 0.197 7.086 13.678 1.00 0.00 C ATOM 1663 CG LEU A 112 -0.655 7.359 12.435 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -1.773 8.335 12.762 1.00 0.00 C ATOM 1665 CD2 LEU A 112 0.207 7.898 11.301 1.00 0.00 C ATOM 0 H LEU A 112 -0.073 4.635 13.298 1.00 0.00 H new ATOM 0 HA LEU A 112 1.957 6.508 12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.445 6.669 14.454 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.577 8.036 14.055 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.100 6.418 12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.369 8.518 11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.408 7.913 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.345 9.275 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.417 8.085 10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.681 8.828 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.975 7.167 11.048 1.00 0.00 H new ATOM 1677 N ALA A 113 2.093 5.097 15.527 1.00 0.00 N ATOM 1678 CA ALA A 113 2.941 4.898 16.695 1.00 0.00 C ATOM 1679 C ALA A 113 4.360 4.539 16.268 1.00 0.00 C ATOM 1680 O ALA A 113 5.329 4.844 16.961 1.00 0.00 O ATOM 1681 CB ALA A 113 2.366 3.807 17.584 1.00 0.00 C ATOM 0 H ALA A 113 1.367 4.390 15.410 1.00 0.00 H new ATOM 0 HA ALA A 113 2.975 5.829 17.261 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.010 3.669 18.453 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.368 4.095 17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.308 2.874 17.024 1.00 0.00 H new ATOM 1687 N MET A 114 4.468 3.889 15.117 1.00 0.00 N ATOM 1688 CA MET A 114 5.762 3.503 14.570 1.00 0.00 C ATOM 1689 C MET A 114 6.326 4.624 13.706 1.00 0.00 C ATOM 1690 O MET A 114 7.531 4.859 13.685 1.00 0.00 O ATOM 1691 CB MET A 114 5.627 2.223 13.743 1.00 0.00 C ATOM 1692 CG MET A 114 5.087 1.043 14.534 1.00 0.00 C ATOM 1693 SD MET A 114 4.815 -0.413 13.507 1.00 0.00 S ATOM 1694 CE MET A 114 4.133 -1.549 14.712 1.00 0.00 C ATOM 0 H MET A 114 3.671 3.617 14.542 1.00 0.00 H new ATOM 0 HA MET A 114 6.447 3.318 15.397 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.968 2.415 12.897 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.602 1.960 13.334 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.787 0.795 15.332 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.149 1.328 15.010 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.044 -2.540 14.268 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.792 -1.598 15.579 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.148 -1.201 15.024 1.00 0.00 H new ATOM 1704 N GLY A 115 5.440 5.316 13.001 1.00 0.00 N ATOM 1705 CA GLY A 115 5.858 6.410 12.148 1.00 0.00 C ATOM 1706 C GLY A 115 5.479 6.186 10.700 1.00 0.00 C ATOM 1707 O GLY A 115 5.973 6.874 9.808 1.00 0.00 O ATOM 0 H GLY A 115 4.436 5.138 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.405 7.336 12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.938 6.534 12.224 1.00 0.00 H new ATOM 1711 N VAL A 116 4.594 5.226 10.466 1.00 0.00 N ATOM 1712 CA VAL A 116 4.161 4.890 9.117 1.00 0.00 C ATOM 1713 C VAL A 116 3.015 5.798 8.680 1.00 0.00 C ATOM 1714 O VAL A 116 1.895 5.682 9.180 1.00 0.00 O ATOM 1715 CB VAL A 116 3.704 3.415 9.025 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.356 3.046 7.591 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.774 2.483 9.577 1.00 0.00 C ATOM 0 H VAL A 116 4.160 4.664 11.198 1.00 0.00 H new ATOM 0 HA VAL A 116 5.015 5.036 8.455 1.00 0.00 H new ATOM 0 HB VAL A 116 2.806 3.300 9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.037 2.004 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.549 3.687 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.232 3.182 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.431 1.451 9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.693 2.603 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.965 2.727 10.622 1.00 0.00 H new ATOM 1727 N GLY A 117 3.303 6.707 7.758 1.00 0.00 N ATOM 1728 CA GLY A 117 2.280 7.601 7.251 1.00 0.00 C ATOM 1729 C GLY A 117 1.450 6.953 6.163 1.00 0.00 C ATOM 1730 O GLY A 117 1.832 6.962 4.993 1.00 0.00 O ATOM 0 H GLY A 117 4.229 6.842 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.629 7.908 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.749 8.504 6.860 1.00 0.00 H new ATOM 1734 N VAL A 118 0.319 6.381 6.548 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.544 5.674 5.609 1.00 0.00 C ATOM 1736 C VAL A 118 -1.549 6.621 4.963 1.00 0.00 C ATOM 1737 O VAL A 118 -2.231 7.379 5.651 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.309 4.529 6.307 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.114 3.718 5.301 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.346 3.636 7.069 1.00 0.00 C ATOM 0 H VAL A 118 -0.025 6.392 7.508 1.00 0.00 H new ATOM 0 HA VAL A 118 0.102 5.256 4.837 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.008 4.970 7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.643 2.918 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.835 4.367 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.441 3.287 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.901 2.834 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.379 3.208 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.177 4.224 7.823 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.629 6.572 3.640 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.586 7.377 2.894 1.00 0.00 C ATOM 1752 C GLU A 119 -3.412 6.488 1.970 1.00 0.00 C ATOM 1753 O GLU A 119 -2.886 5.555 1.357 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.869 8.460 2.082 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.128 9.477 2.936 1.00 0.00 C ATOM 1756 CD GLU A 119 -0.554 10.618 2.122 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.336 11.341 1.469 1.00 0.00 O ATOM 1758 OE2 GLU A 119 0.685 10.799 2.130 1.00 0.00 O ATOM 0 H GLU A 119 -1.038 5.978 3.058 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.252 7.866 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.161 7.984 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.600 8.982 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.808 9.879 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.321 8.976 3.471 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.703 6.776 1.876 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.604 5.985 1.050 1.00 0.00 C ATOM 1767 C ALA A 120 -5.848 6.669 -0.289 1.00 0.00 C ATOM 1768 O ALA A 120 -6.198 7.848 -0.339 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.922 5.755 1.777 1.00 0.00 C ATOM 0 H ALA A 120 -5.150 7.553 2.363 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.137 5.019 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.586 5.162 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.735 5.223 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.390 6.715 1.995 1.00 0.00 H new ATOM 1775 N MET A 121 -5.653 5.928 -1.369 1.00 0.00 N ATOM 1776 CA MET A 121 -5.840 6.456 -2.714 1.00 0.00 C ATOM 1777 C MET A 121 -6.501 5.414 -3.600 1.00 0.00 C ATOM 1778 O MET A 121 -6.902 4.348 -3.133 1.00 0.00 O ATOM 1779 CB MET A 121 -4.498 6.840 -3.343 1.00 0.00 C ATOM 1780 CG MET A 121 -3.738 7.921 -2.604 1.00 0.00 C ATOM 1781 SD MET A 121 -2.169 8.312 -3.401 1.00 0.00 S ATOM 1782 CE MET A 121 -1.537 9.549 -2.279 1.00 0.00 C ATOM 0 H MET A 121 -5.363 4.951 -1.340 1.00 0.00 H new ATOM 0 HA MET A 121 -6.472 7.341 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.872 5.950 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 121 -4.674 7.173 -4.366 1.00 0.00 H new ATOM 0 HG2 MET A 121 -4.350 8.821 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 121 -3.553 7.598 -1.580 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.458 9.640 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.010 10.508 -2.491 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.756 9.255 -1.253 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.601 5.725 -4.881 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.043 4.748 -5.862 1.00 0.00 C ATOM 1794 C ASP A 122 -5.822 4.039 -6.433 1.00 0.00 C ATOM 1795 O ASP A 122 -4.692 4.475 -6.204 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.859 5.404 -6.982 1.00 0.00 C ATOM 1797 CG ASP A 122 -7.062 6.408 -7.789 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -6.338 5.992 -8.713 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -7.169 7.621 -7.512 1.00 0.00 O ATOM 0 H ASP A 122 -6.383 6.644 -5.266 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.696 4.026 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.237 4.629 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.726 5.902 -6.548 1.00 0.00 H new ATOM 1804 N THR A 123 -6.043 2.956 -7.163 1.00 0.00 N ATOM 1805 CA THR A 123 -4.951 2.130 -7.666 1.00 0.00 C ATOM 1806 C THR A 123 -4.003 2.929 -8.569 1.00 0.00 C ATOM 1807 O THR A 123 -2.786 2.734 -8.533 1.00 0.00 O ATOM 1808 CB THR A 123 -5.506 0.916 -8.439 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.605 0.347 -7.715 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.433 -0.145 -8.645 1.00 0.00 C ATOM 0 H THR A 123 -6.973 2.626 -7.422 1.00 0.00 H new ATOM 0 HA THR A 123 -4.383 1.782 -6.803 1.00 0.00 H new ATOM 0 HB THR A 123 -5.841 1.260 -9.418 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.398 -0.582 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.855 -0.988 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.606 0.280 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.069 -0.487 -7.676 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.559 3.856 -9.340 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.777 4.617 -10.307 1.00 0.00 C ATOM 1820 C GLN A 124 -2.949 5.675 -9.587 1.00 0.00 C ATOM 1821 O GLN A 124 -1.729 5.749 -9.756 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.713 5.272 -11.333 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.130 5.385 -12.738 1.00 0.00 C ATOM 1824 CD GLN A 124 -2.988 6.379 -12.852 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -2.940 7.385 -12.144 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -2.069 6.111 -13.766 1.00 0.00 N ATOM 0 H GLN A 124 -5.549 4.099 -9.314 1.00 0.00 H new ATOM 0 HA GLN A 124 -3.099 3.944 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.638 4.697 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.976 6.269 -10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.777 4.403 -13.054 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.923 5.676 -13.427 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.145 5.266 -14.333 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.285 6.749 -13.903 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.619 6.474 -8.765 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.965 7.557 -8.040 1.00 0.00 C ATOM 1837 C ALA A 125 -1.898 7.030 -7.092 1.00 0.00 C ATOM 1838 O ALA A 125 -0.811 7.601 -6.993 1.00 0.00 O ATOM 1839 CB ALA A 125 -3.989 8.378 -7.271 1.00 0.00 C ATOM 0 H ALA A 125 -4.619 6.392 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.476 8.196 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.483 9.182 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.711 8.804 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.507 7.737 -6.558 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.205 5.935 -6.406 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.270 5.342 -5.459 1.00 0.00 C ATOM 1847 C ALA A 126 -0.009 4.868 -6.168 1.00 0.00 C ATOM 1848 O ALA A 126 1.103 5.146 -5.724 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.923 4.192 -4.709 1.00 0.00 C ATOM 0 H ALA A 126 -3.093 5.441 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.988 6.108 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.208 3.763 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.792 4.560 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.238 3.427 -5.419 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.188 4.172 -7.285 1.00 0.00 N ATOM 1856 CA ALA A 127 0.938 3.644 -8.043 1.00 0.00 C ATOM 1857 C ALA A 127 1.759 4.766 -8.674 1.00 0.00 C ATOM 1858 O ALA A 127 2.983 4.671 -8.773 1.00 0.00 O ATOM 1859 CB ALA A 127 0.451 2.680 -9.112 1.00 0.00 C ATOM 0 H ALA A 127 -1.102 3.961 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 127 1.584 3.106 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.304 2.294 -9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.079 1.852 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.222 3.201 -9.793 1.00 0.00 H new ATOM 1865 N ARG A 128 1.086 5.828 -9.092 1.00 0.00 N ATOM 1866 CA ARG A 128 1.762 6.946 -9.735 1.00 0.00 C ATOM 1867 C ARG A 128 2.543 7.764 -8.710 1.00 0.00 C ATOM 1868 O ARG A 128 3.702 8.112 -8.937 1.00 0.00 O ATOM 1869 CB ARG A 128 0.760 7.834 -10.471 1.00 0.00 C ATOM 1870 CG ARG A 128 1.402 8.709 -11.533 1.00 0.00 C ATOM 1871 CD ARG A 128 0.365 9.510 -12.296 1.00 0.00 C ATOM 1872 NE ARG A 128 0.915 10.076 -13.524 1.00 0.00 N ATOM 1873 CZ ARG A 128 0.188 10.705 -14.443 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -1.096 10.957 -14.221 1.00 0.00 N ATOM 1875 NH2 ARG A 128 0.757 11.109 -15.571 1.00 0.00 N ATOM 0 H ARG A 128 0.076 5.939 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 128 2.465 6.543 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.002 7.205 -10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.247 8.469 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.115 9.388 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.965 8.086 -12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.483 8.870 -12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.013 10.313 -11.663 1.00 0.00 H new ATOM 0 HE ARG A 128 1.918 9.983 -13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.528 10.668 -13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.651 11.440 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.749 10.937 -15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.202 11.592 -16.278 1.00 0.00 H new ATOM 1889 N THR A 129 1.911 8.054 -7.575 1.00 0.00 N ATOM 1890 CA THR A 129 2.577 8.776 -6.496 1.00 0.00 C ATOM 1891 C THR A 129 3.750 7.953 -5.966 1.00 0.00 C ATOM 1892 O THR A 129 4.795 8.493 -5.608 1.00 0.00 O ATOM 1893 CB THR A 129 1.595 9.093 -5.346 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.423 9.731 -5.871 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.240 10.000 -4.307 1.00 0.00 C ATOM 0 H THR A 129 0.942 7.801 -7.380 1.00 0.00 H new ATOM 0 HA THR A 129 2.946 9.720 -6.897 1.00 0.00 H new ATOM 0 HB THR A 129 1.323 8.154 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.210 9.049 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.525 10.206 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.118 9.508 -3.889 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.539 10.937 -4.777 1.00 0.00 H new ATOM 1903 N TYR A 130 3.561 6.638 -5.945 1.00 0.00 N ATOM 1904 CA TYR A 130 4.616 5.697 -5.590 1.00 0.00 C ATOM 1905 C TYR A 130 5.860 5.920 -6.451 1.00 0.00 C ATOM 1906 O TYR A 130 6.977 5.976 -5.937 1.00 0.00 O ATOM 1907 CB TYR A 130 4.088 4.267 -5.752 1.00 0.00 C ATOM 1908 CG TYR A 130 5.147 3.188 -5.772 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.757 2.754 -4.602 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.521 2.590 -6.969 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.710 1.754 -4.626 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.473 1.593 -7.001 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.063 1.178 -5.829 1.00 0.00 C ATOM 1914 OH TYR A 130 8.005 0.181 -5.862 1.00 0.00 O ATOM 0 H TYR A 130 2.671 6.195 -6.174 1.00 0.00 H new ATOM 0 HA TYR A 130 4.906 5.858 -4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.395 4.058 -4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.517 4.210 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.482 3.205 -3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.058 2.912 -7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.176 1.425 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.754 1.140 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 130 8.135 -0.115 -6.787 1.00 0.00 H new ATOM 1924 N ASN A 131 5.660 6.064 -7.758 1.00 0.00 N ATOM 1925 CA ASN A 131 6.765 6.316 -8.680 1.00 0.00 C ATOM 1926 C ASN A 131 7.435 7.651 -8.371 1.00 0.00 C ATOM 1927 O ASN A 131 8.660 7.761 -8.390 1.00 0.00 O ATOM 1928 CB ASN A 131 6.282 6.309 -10.135 1.00 0.00 C ATOM 1929 CG ASN A 131 5.826 4.941 -10.608 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.431 3.889 -10.077 1.00 0.00 O flip ATOM 1931 ND2 ASN A 131 4.940 4.831 -11.457 1.00 0.00 N flip ATOM 0 H ASN A 131 4.744 6.011 -8.203 1.00 0.00 H new ATOM 0 HA ASN A 131 7.491 5.514 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.459 7.016 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.088 6.659 -10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.497 5.665 -11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.649 3.906 -11.774 1.00 0.00 H new ATOM 1938 N ILE A 132 6.621 8.658 -8.078 1.00 0.00 N ATOM 1939 CA ILE A 132 7.127 9.986 -7.756 1.00 0.00 C ATOM 1940 C ILE A 132 7.952 9.955 -6.471 1.00 0.00 C ATOM 1941 O ILE A 132 9.064 10.478 -6.423 1.00 0.00 O ATOM 1942 CB ILE A 132 5.974 11.004 -7.607 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.157 11.071 -8.901 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.517 12.381 -7.245 1.00 0.00 C ATOM 1945 CD1 ILE A 132 3.942 11.971 -8.814 1.00 0.00 C ATOM 0 H ILE A 132 5.604 8.579 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 132 7.765 10.301 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 132 5.321 10.673 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.800 11.423 -9.707 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.833 10.065 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.690 13.084 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.059 12.322 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.191 12.724 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.416 11.966 -9.769 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.276 11.609 -8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.258 12.987 -8.580 1.00 0.00 H new ATOM 1957 N LEU A 133 7.415 9.314 -5.440 1.00 0.00 N ATOM 1958 CA LEU A 133 8.098 9.224 -4.155 1.00 0.00 C ATOM 1959 C LEU A 133 9.349 8.356 -4.260 1.00 0.00 C ATOM 1960 O LEU A 133 10.312 8.542 -3.512 1.00 0.00 O ATOM 1961 CB LEU A 133 7.152 8.680 -3.082 1.00 0.00 C ATOM 1962 CG LEU A 133 5.939 9.565 -2.782 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.046 8.910 -1.741 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.384 10.941 -2.310 1.00 0.00 C ATOM 0 H LEU A 133 6.508 8.848 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 133 8.409 10.228 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.798 7.698 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.716 8.537 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 133 5.367 9.685 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.189 9.553 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.698 7.947 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.610 8.759 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.508 11.555 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.980 10.839 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.984 11.416 -3.087 1.00 0.00 H new ATOM 1976 N MET A 134 9.337 7.414 -5.196 1.00 0.00 N ATOM 1977 CA MET A 134 10.509 6.594 -5.475 1.00 0.00 C ATOM 1978 C MET A 134 11.632 7.461 -6.038 1.00 0.00 C ATOM 1979 O MET A 134 12.807 7.252 -5.733 1.00 0.00 O ATOM 1980 CB MET A 134 10.158 5.476 -6.461 1.00 0.00 C ATOM 1981 CG MET A 134 11.335 4.584 -6.823 1.00 0.00 C ATOM 1982 SD MET A 134 10.885 3.275 -7.978 1.00 0.00 S ATOM 1983 CE MET A 134 10.296 4.231 -9.373 1.00 0.00 C ATOM 0 H MET A 134 8.526 7.199 -5.776 1.00 0.00 H new ATOM 0 HA MET A 134 10.847 6.140 -4.544 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.367 4.861 -6.032 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.757 5.921 -7.372 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.126 5.193 -7.260 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.741 4.138 -5.915 1.00 0.00 H new ATOM 0 HE1 MET A 134 10.623 3.761 -10.300 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.207 4.273 -9.352 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.699 5.242 -9.317 1.00 0.00 H new ATOM 1993 N ALA A 135 11.258 8.446 -6.847 1.00 0.00 N ATOM 1994 CA ALA A 135 12.221 9.384 -7.408 1.00 0.00 C ATOM 1995 C ALA A 135 12.709 10.349 -6.333 1.00 0.00 C ATOM 1996 O ALA A 135 13.815 10.880 -6.413 1.00 0.00 O ATOM 1997 CB ALA A 135 11.604 10.145 -8.573 1.00 0.00 C ATOM 0 H ALA A 135 10.292 8.615 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 135 13.078 8.823 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.336 10.842 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.302 9.441 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.732 10.698 -8.225 1.00 0.00 H new ATOM 2003 N GLU A 136 11.867 10.568 -5.329 1.00 0.00 N ATOM 2004 CA GLU A 136 12.230 11.392 -4.182 1.00 0.00 C ATOM 2005 C GLU A 136 13.326 10.711 -3.360 1.00 0.00 C ATOM 2006 O GLU A 136 14.212 11.368 -2.814 1.00 0.00 O ATOM 2007 CB GLU A 136 11.004 11.636 -3.296 1.00 0.00 C ATOM 2008 CG GLU A 136 9.906 12.455 -3.958 1.00 0.00 C ATOM 2009 CD GLU A 136 10.261 13.921 -4.084 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.995 14.683 -3.130 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.812 14.315 -5.131 1.00 0.00 O ATOM 0 H GLU A 136 10.923 10.184 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 136 12.603 12.347 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.591 10.673 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.323 12.145 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.704 12.049 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.987 12.357 -3.380 1.00 0.00 H new ATOM 2018 N GLY A 137 13.254 9.388 -3.284 1.00 0.00 N ATOM 2019 CA GLY A 137 14.221 8.632 -2.507 1.00 0.00 C ATOM 2020 C GLY A 137 13.698 8.297 -1.125 1.00 0.00 C ATOM 2021 O GLY A 137 14.439 7.816 -0.264 1.00 0.00 O ATOM 0 H GLY A 137 12.542 8.823 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.470 7.711 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.143 9.206 -2.417 1.00 0.00 H new ATOM 2025 N ARG A 138 12.414 8.553 -0.917 1.00 0.00 N ATOM 2026 CA ARG A 138 11.772 8.310 0.358 1.00 0.00 C ATOM 2027 C ARG A 138 11.257 6.877 0.411 1.00 0.00 C ATOM 2028 O ARG A 138 11.000 6.270 -0.630 1.00 0.00 O ATOM 2029 CB ARG A 138 10.629 9.306 0.537 1.00 0.00 C ATOM 2030 CG ARG A 138 11.036 10.731 0.203 1.00 0.00 C ATOM 2031 CD ARG A 138 9.895 11.721 0.379 1.00 0.00 C ATOM 2032 NE ARG A 138 10.150 12.957 -0.363 1.00 0.00 N ATOM 2033 CZ ARG A 138 10.884 13.976 0.088 1.00 0.00 C ATOM 2034 NH1 ARG A 138 11.347 13.977 1.333 1.00 0.00 N ATOM 2035 NH2 ARG A 138 11.136 15.001 -0.711 1.00 0.00 N ATOM 0 H ARG A 138 11.792 8.935 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 138 12.488 8.444 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.794 9.012 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.275 9.265 1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.870 11.026 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.392 10.772 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.964 11.272 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.767 11.948 1.437 1.00 0.00 H new ATOM 0 HE ARG A 138 9.737 13.046 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.142 13.194 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 138 11.907 14.761 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 138 10.770 15.008 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 138 11.696 15.784 -0.375 1.00 0.00 H new ATOM 2049 N ARG A 139 11.105 6.334 1.609 1.00 0.00 N ATOM 2050 CA ARG A 139 10.706 4.942 1.751 1.00 0.00 C ATOM 2051 C ARG A 139 9.196 4.790 1.631 1.00 0.00 C ATOM 2052 O ARG A 139 8.465 4.823 2.623 1.00 0.00 O ATOM 2053 CB ARG A 139 11.217 4.351 3.068 1.00 0.00 C ATOM 2054 CG ARG A 139 12.731 4.234 3.113 1.00 0.00 C ATOM 2055 CD ARG A 139 13.219 3.500 4.351 1.00 0.00 C ATOM 2056 NE ARG A 139 14.670 3.325 4.321 1.00 0.00 N ATOM 2057 CZ ARG A 139 15.335 2.376 4.979 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.703 1.537 5.784 1.00 0.00 N ATOM 2059 NH2 ARG A 139 16.647 2.274 4.838 1.00 0.00 N ATOM 0 H ARG A 139 11.250 6.830 2.489 1.00 0.00 H new ATOM 0 HA ARG A 139 11.164 4.381 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.881 4.975 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.777 3.365 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.079 3.710 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.171 5.231 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.935 4.057 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.733 2.526 4.415 1.00 0.00 H new ATOM 0 HE ARG A 139 15.213 3.977 3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 139 13.693 1.612 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.226 0.816 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 139 17.146 2.921 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 139 17.159 1.549 5.340 1.00 0.00 H new ATOM 2073 N VAL A 140 8.739 4.641 0.399 1.00 0.00 N ATOM 2074 CA VAL A 140 7.327 4.485 0.115 1.00 0.00 C ATOM 2075 C VAL A 140 6.997 3.031 -0.201 1.00 0.00 C ATOM 2076 O VAL A 140 7.706 2.369 -0.958 1.00 0.00 O ATOM 2077 CB VAL A 140 6.884 5.394 -1.061 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.721 5.134 -2.306 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.405 5.209 -1.362 1.00 0.00 C ATOM 0 H VAL A 140 9.336 4.625 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 140 6.779 4.787 1.008 1.00 0.00 H new ATOM 0 HB VAL A 140 7.046 6.428 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.386 5.786 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.770 5.336 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.607 4.094 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.118 5.857 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.216 4.170 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.819 5.467 -0.480 1.00 0.00 H new ATOM 2089 N VAL A 141 5.944 2.528 0.415 1.00 0.00 N ATOM 2090 CA VAL A 141 5.447 1.195 0.122 1.00 0.00 C ATOM 2091 C VAL A 141 4.013 1.304 -0.367 1.00 0.00 C ATOM 2092 O VAL A 141 3.222 2.067 0.193 1.00 0.00 O ATOM 2093 CB VAL A 141 5.513 0.270 1.360 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.001 -1.124 1.027 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.934 0.201 1.901 1.00 0.00 C ATOM 0 H VAL A 141 5.412 3.027 1.128 1.00 0.00 H new ATOM 0 HA VAL A 141 6.080 0.752 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 141 4.869 0.692 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 141 5.058 -1.754 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.965 -1.061 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.612 -1.556 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.960 -0.454 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.598 -0.192 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.263 1.200 2.188 1.00 0.00 H new ATOM 2105 N VAL A 142 3.675 0.575 -1.415 1.00 0.00 N ATOM 2106 CA VAL A 142 2.348 0.677 -1.993 1.00 0.00 C ATOM 2107 C VAL A 142 1.637 -0.674 -1.987 1.00 0.00 C ATOM 2108 O VAL A 142 2.230 -1.712 -2.292 1.00 0.00 O ATOM 2109 CB VAL A 142 2.404 1.253 -3.429 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.140 0.316 -4.372 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.007 1.557 -3.950 1.00 0.00 C ATOM 0 H VAL A 142 4.295 -0.088 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 142 1.775 1.366 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 142 2.961 2.189 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.162 0.749 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.160 0.170 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.627 -0.645 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.075 1.960 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.417 0.641 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.527 2.288 -3.299 1.00 0.00 H new ATOM 2121 N ALA A 143 0.373 -0.648 -1.600 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.470 -1.830 -1.625 1.00 0.00 C ATOM 2123 C ALA A 143 -1.618 -1.602 -2.594 1.00 0.00 C ATOM 2124 O ALA A 143 -2.403 -0.668 -2.424 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.993 -2.145 -0.231 1.00 0.00 C ATOM 0 H ALA A 143 -0.096 0.191 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 143 0.116 -2.686 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.623 -3.034 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.153 -2.325 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.578 -1.302 0.137 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.710 -2.435 -3.614 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.694 -2.230 -4.664 1.00 0.00 C ATOM 2133 C LEU A 144 -3.789 -3.284 -4.619 1.00 0.00 C ATOM 2134 O LEU A 144 -3.513 -4.490 -4.636 1.00 0.00 O ATOM 2135 CB LEU A 144 -2.016 -2.231 -6.036 1.00 0.00 C ATOM 2136 CG LEU A 144 -1.014 -1.095 -6.265 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.380 -1.209 -7.643 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.693 0.257 -6.102 1.00 0.00 C ATOM 0 H LEU A 144 -1.119 -3.257 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.159 -1.259 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.500 -3.182 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.786 -2.176 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.226 -1.178 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.328 -0.393 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.143 -2.162 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -1.156 -1.154 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.966 1.052 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.502 0.348 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.098 0.341 -5.094 1.00 0.00 H new ATOM 2150 N LEU A 145 -5.026 -2.808 -4.548 1.00 0.00 N ATOM 2151 CA LEU A 145 -6.202 -3.664 -4.580 1.00 0.00 C ATOM 2152 C LEU A 145 -6.869 -3.586 -5.949 1.00 0.00 C ATOM 2153 O LEU A 145 -6.730 -2.584 -6.659 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.203 -3.236 -3.502 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.736 -3.417 -2.060 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.766 -2.850 -1.096 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.487 -4.885 -1.763 1.00 0.00 C ATOM 0 H LEU A 145 -5.241 -1.814 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.887 -4.690 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.449 -2.185 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -8.124 -3.803 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.800 -2.874 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.419 -2.986 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.903 -1.787 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.715 -3.370 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.155 -4.996 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.409 -5.447 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.718 -5.267 -2.435 1.00 0.00 H new ATOM 2169 N PRO A 146 -7.587 -4.643 -6.346 1.00 0.00 N ATOM 2170 CA PRO A 146 -8.332 -4.669 -7.597 1.00 0.00 C ATOM 2171 C PRO A 146 -9.680 -3.958 -7.476 1.00 0.00 C ATOM 2172 O PRO A 146 -10.092 -3.559 -6.388 1.00 0.00 O ATOM 2173 CB PRO A 146 -8.545 -6.168 -7.869 1.00 0.00 C ATOM 2174 CG PRO A 146 -7.885 -6.899 -6.739 1.00 0.00 C ATOM 2175 CD PRO A 146 -7.725 -5.908 -5.622 1.00 0.00 C ATOM 0 HA PRO A 146 -7.799 -4.153 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -9.607 -6.407 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -8.109 -6.455 -8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -8.490 -7.747 -6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -6.917 -7.296 -7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -8.588 -5.903 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.850 -6.124 -5.009 1.00 0.00 H new