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 130 TYR OH : rot -165:sc= -0.0268 USER MOD Set 1.2: A 134 MET CE :methyl -175:sc= -0.505 (180deg=-0.616) USER MOD Set 2.1: A 17 TYR OH : rot 130:sc= 0.784 USER MOD Set 2.2: A 123 THR OG1 : rot 128:sc= 0.894 USER MOD Set 3.1: A 121 MET CE :methyl -131:sc= -0.733 (180deg=-2.02) USER MOD Set 3.2: A 129 THR OG1 : rot 77:sc= 1.15 USER MOD Single : A 12 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.88) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.00539 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.13 F(o=-1.5!,f=-0.13) USER MOD Single : A 26 GLN : amide:sc=-0.00162 K(o=-0.0016,f=-0.87) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 31 HIS : no HE2:sc= 0.625 K(o=0.63,f=-2.4!) USER MOD Single : A 43 SER OG : rot 45:sc= 0.0348 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 2.05 K(o=2.1,f=-6.5!) USER MOD Single : A 101 HIS : no HD1:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 107 GLN : amide:sc= 0.00814 K(o=0.0081,f=-1.7) USER MOD Single : A 114 MET CE :methyl -170:sc= 0 (180deg=-0.0507) USER MOD Single : A 124 GLN : amide:sc= 0.409 X(o=0.41,f=-0.064) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.383 -1.008 -7.234 1.00 0.00 N ATOM 154 CA LEU A 11 13.134 -0.305 -7.469 1.00 0.00 C ATOM 155 C LEU A 11 12.124 -1.244 -8.124 1.00 0.00 C ATOM 156 O LEU A 11 12.261 -1.587 -9.304 1.00 0.00 O ATOM 157 CB LEU A 11 13.370 0.907 -8.378 1.00 0.00 C ATOM 158 CG LEU A 11 14.475 1.872 -7.929 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.672 2.968 -8.964 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.147 2.480 -6.575 1.00 0.00 C ATOM 0 HA LEU A 11 12.742 0.038 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.613 0.546 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.437 1.465 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 11 15.402 1.307 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.459 3.645 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.956 2.522 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.743 3.524 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.945 3.160 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.208 3.029 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.052 1.687 -5.833 1.00 0.00 H new ATOM 172 N ASN A 12 11.130 -1.679 -7.355 1.00 0.00 N ATOM 173 CA ASN A 12 10.072 -2.537 -7.884 1.00 0.00 C ATOM 174 C ASN A 12 9.219 -1.759 -8.876 1.00 0.00 C ATOM 175 O ASN A 12 8.303 -1.035 -8.493 1.00 0.00 O ATOM 176 CB ASN A 12 9.189 -3.091 -6.759 1.00 0.00 C ATOM 177 CG ASN A 12 9.826 -4.236 -5.986 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.128 -5.126 -5.504 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.143 -4.230 -5.850 1.00 0.00 N ATOM 0 H ASN A 12 11.034 -1.453 -6.365 1.00 0.00 H new ATOM 0 HA ASN A 12 10.543 -3.379 -8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.952 -2.284 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.246 -3.433 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.606 -4.978 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.695 -3.477 -6.262 1.00 0.00 H new ATOM 186 N THR A 13 9.539 -1.896 -10.152 1.00 0.00 N ATOM 187 CA THR A 13 8.901 -1.103 -11.185 1.00 0.00 C ATOM 188 C THR A 13 7.672 -1.806 -11.750 1.00 0.00 C ATOM 189 O THR A 13 7.733 -2.981 -12.123 1.00 0.00 O ATOM 190 CB THR A 13 9.892 -0.811 -12.327 1.00 0.00 C ATOM 191 OG1 THR A 13 11.142 -0.360 -11.780 1.00 0.00 O ATOM 192 CG2 THR A 13 9.339 0.250 -13.268 1.00 0.00 C ATOM 0 H THR A 13 10.240 -2.552 -10.496 1.00 0.00 H new ATOM 0 HA THR A 13 8.584 -0.166 -10.727 1.00 0.00 H new ATOM 0 HB THR A 13 10.045 -1.731 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.771 -0.177 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.057 0.439 -14.066 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.401 -0.099 -13.699 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.162 1.172 -12.714 1.00 0.00 H new ATOM 200 N VAL A 14 6.557 -1.091 -11.795 1.00 0.00 N ATOM 201 CA VAL A 14 5.352 -1.597 -12.430 1.00 0.00 C ATOM 202 C VAL A 14 5.514 -1.525 -13.942 1.00 0.00 C ATOM 203 O VAL A 14 5.504 -0.441 -14.528 1.00 0.00 O ATOM 204 CB VAL A 14 4.099 -0.803 -12.004 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.844 -1.394 -12.630 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.976 -0.767 -10.487 1.00 0.00 C ATOM 0 H VAL A 14 6.463 -0.156 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 14 5.211 -2.630 -12.112 1.00 0.00 H new ATOM 0 HB VAL A 14 4.208 0.220 -12.364 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.974 -0.818 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.928 -1.359 -13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.729 -2.429 -12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.086 -0.203 -10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.895 -1.784 -10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.858 -0.288 -10.062 1.00 0.00 H new ATOM 216 N THR A 15 5.692 -2.678 -14.560 1.00 0.00 N ATOM 217 CA THR A 15 5.971 -2.753 -15.980 1.00 0.00 C ATOM 218 C THR A 15 4.691 -2.600 -16.798 1.00 0.00 C ATOM 219 O THR A 15 4.692 -1.976 -17.863 1.00 0.00 O ATOM 220 CB THR A 15 6.645 -4.093 -16.319 1.00 0.00 C ATOM 221 OG1 THR A 15 7.640 -4.396 -15.332 1.00 0.00 O ATOM 222 CG2 THR A 15 7.303 -4.045 -17.687 1.00 0.00 C ATOM 0 H THR A 15 5.647 -3.584 -14.094 1.00 0.00 H new ATOM 0 HA THR A 15 6.645 -1.935 -16.234 1.00 0.00 H new ATOM 0 HB THR A 15 5.876 -4.865 -16.328 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.440 -4.752 -15.772 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.771 -5.006 -17.899 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.550 -3.833 -18.446 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.061 -3.262 -17.699 1.00 0.00 H new ATOM 230 N ALA A 16 3.599 -3.158 -16.293 1.00 0.00 N ATOM 231 CA ALA A 16 2.323 -3.083 -16.984 1.00 0.00 C ATOM 232 C ALA A 16 1.160 -3.059 -16.001 1.00 0.00 C ATOM 233 O ALA A 16 1.086 -3.875 -15.078 1.00 0.00 O ATOM 234 CB ALA A 16 2.170 -4.249 -17.952 1.00 0.00 C ATOM 0 H ALA A 16 3.573 -3.666 -15.409 1.00 0.00 H new ATOM 0 HA ALA A 16 2.307 -2.151 -17.549 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.209 -4.176 -18.460 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.973 -4.218 -18.688 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.219 -5.188 -17.401 1.00 0.00 H new ATOM 240 N TYR A 17 0.261 -2.109 -16.201 1.00 0.00 N ATOM 241 CA TYR A 17 -0.956 -2.020 -15.415 1.00 0.00 C ATOM 242 C TYR A 17 -2.099 -2.610 -16.231 1.00 0.00 C ATOM 243 O TYR A 17 -2.543 -2.013 -17.213 1.00 0.00 O ATOM 244 CB TYR A 17 -1.235 -0.556 -15.054 1.00 0.00 C ATOM 245 CG TYR A 17 -2.340 -0.350 -14.036 1.00 0.00 C ATOM 246 CD1 TYR A 17 -3.663 -0.194 -14.431 1.00 0.00 C ATOM 247 CD2 TYR A 17 -2.051 -0.288 -12.678 1.00 0.00 C ATOM 248 CE1 TYR A 17 -4.667 0.012 -13.502 1.00 0.00 C ATOM 249 CE2 TYR A 17 -3.048 -0.085 -11.744 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.353 0.067 -12.159 1.00 0.00 C ATOM 251 OH TYR A 17 -5.348 0.278 -11.231 1.00 0.00 O ATOM 0 H TYR A 17 0.355 -1.381 -16.910 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.852 -2.579 -14.485 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.318 -0.111 -14.669 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.494 -0.015 -15.964 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.912 -0.234 -15.481 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.029 -0.401 -12.347 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.691 0.129 -13.826 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.806 -0.046 -10.692 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.283 -0.396 -10.522 1.00 0.00 H new ATOM 261 N GLY A 18 -2.540 -3.800 -15.853 1.00 0.00 N ATOM 262 CA GLY A 18 -3.524 -4.505 -16.649 1.00 0.00 C ATOM 263 C GLY A 18 -4.938 -4.308 -16.155 1.00 0.00 C ATOM 264 O GLY A 18 -5.189 -3.473 -15.287 1.00 0.00 O ATOM 0 H GLY A 18 -2.235 -4.290 -15.012 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.456 -4.166 -17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.290 -5.569 -16.646 1.00 0.00 H new ATOM 268 N ASP A 19 -5.860 -5.078 -16.723 1.00 0.00 N ATOM 269 CA ASP A 19 -7.262 -5.020 -16.345 1.00 0.00 C ATOM 270 C ASP A 19 -7.437 -5.394 -14.884 1.00 0.00 C ATOM 271 O ASP A 19 -7.956 -4.616 -14.084 1.00 0.00 O ATOM 272 CB ASP A 19 -8.080 -5.975 -17.217 1.00 0.00 C ATOM 273 CG ASP A 19 -7.940 -5.700 -18.700 1.00 0.00 C ATOM 274 OD1 ASP A 19 -6.950 -6.171 -19.302 1.00 0.00 O ATOM 275 OD2 ASP A 19 -8.824 -5.030 -19.277 1.00 0.00 O ATOM 0 H ASP A 19 -5.654 -5.757 -17.456 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.615 -3.999 -16.493 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.768 -6.999 -17.013 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.131 -5.900 -16.938 1.00 0.00 H new ATOM 280 N GLY A 20 -7.001 -6.597 -14.551 1.00 0.00 N ATOM 281 CA GLY A 20 -7.073 -7.066 -13.183 1.00 0.00 C ATOM 282 C GLY A 20 -5.796 -7.757 -12.759 1.00 0.00 C ATOM 283 O GLY A 20 -5.827 -8.760 -12.044 1.00 0.00 O ATOM 0 H GLY A 20 -6.595 -7.263 -15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.268 -6.223 -12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.911 -7.755 -13.078 1.00 0.00 H new ATOM 287 N TYR A 21 -4.669 -7.223 -13.211 1.00 0.00 N ATOM 288 CA TYR A 21 -3.367 -7.782 -12.875 1.00 0.00 C ATOM 289 C TYR A 21 -2.303 -6.691 -12.892 1.00 0.00 C ATOM 290 O TYR A 21 -2.358 -5.765 -13.705 1.00 0.00 O ATOM 291 CB TYR A 21 -2.989 -8.919 -13.842 1.00 0.00 C ATOM 292 CG TYR A 21 -2.844 -8.494 -15.291 1.00 0.00 C ATOM 293 CD1 TYR A 21 -3.951 -8.416 -16.127 1.00 0.00 C ATOM 294 CD2 TYR A 21 -1.598 -8.182 -15.823 1.00 0.00 C ATOM 295 CE1 TYR A 21 -3.822 -8.036 -17.448 1.00 0.00 C ATOM 296 CE2 TYR A 21 -1.461 -7.800 -17.145 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.577 -7.729 -17.952 1.00 0.00 C ATOM 298 OH TYR A 21 -2.448 -7.347 -19.267 1.00 0.00 O ATOM 0 H TYR A 21 -4.631 -6.401 -13.813 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.424 -8.199 -11.870 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.050 -9.362 -13.511 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.748 -9.698 -13.780 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.929 -8.657 -15.737 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.722 -8.239 -15.193 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.693 -7.980 -18.084 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.486 -7.559 -17.543 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.505 -7.165 -19.464 1.00 0.00 H new ATOM 308 N ILE A 22 -1.352 -6.796 -11.980 1.00 0.00 N ATOM 309 CA ILE A 22 -0.265 -5.834 -11.882 1.00 0.00 C ATOM 310 C ILE A 22 1.056 -6.512 -12.217 1.00 0.00 C ATOM 311 O ILE A 22 1.459 -7.459 -11.545 1.00 0.00 O ATOM 312 CB ILE A 22 -0.183 -5.229 -10.464 1.00 0.00 C ATOM 313 CG1 ILE A 22 -1.533 -4.625 -10.065 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.917 -4.176 -10.396 1.00 0.00 C ATOM 315 CD1 ILE A 22 -1.591 -4.169 -8.624 1.00 0.00 C ATOM 0 H ILE A 22 -1.310 -7.546 -11.290 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.460 -5.030 -12.592 1.00 0.00 H new ATOM 0 HB ILE A 22 0.061 -6.025 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.748 -3.777 -10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.316 -5.363 -10.235 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.961 -3.760 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.875 -4.634 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.703 -3.380 -11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.576 -3.753 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.408 -5.018 -7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.831 -3.407 -8.453 1.00 0.00 H new ATOM 327 N GLU A 23 1.714 -6.041 -13.261 1.00 0.00 N ATOM 328 CA GLU A 23 2.980 -6.621 -13.681 1.00 0.00 C ATOM 329 C GLU A 23 4.143 -5.861 -13.054 1.00 0.00 C ATOM 330 O GLU A 23 4.377 -4.696 -13.372 1.00 0.00 O ATOM 331 CB GLU A 23 3.087 -6.597 -15.206 1.00 0.00 C ATOM 332 CG GLU A 23 4.342 -7.258 -15.747 1.00 0.00 C ATOM 333 CD GLU A 23 4.378 -7.279 -17.259 1.00 0.00 C ATOM 334 OE1 GLU A 23 3.773 -8.192 -17.859 1.00 0.00 O ATOM 335 OE2 GLU A 23 5.006 -6.387 -17.857 1.00 0.00 O ATOM 0 H GLU A 23 1.395 -5.260 -13.834 1.00 0.00 H new ATOM 0 HA GLU A 23 3.022 -7.657 -13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.215 -7.095 -15.629 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.059 -5.562 -15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.218 -6.728 -15.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.402 -8.279 -15.371 1.00 0.00 H new ATOM 342 N VAL A 24 4.855 -6.517 -12.151 1.00 0.00 N ATOM 343 CA VAL A 24 5.997 -5.905 -11.488 1.00 0.00 C ATOM 344 C VAL A 24 7.289 -6.530 -11.994 1.00 0.00 C ATOM 345 O VAL A 24 7.519 -7.728 -11.802 1.00 0.00 O ATOM 346 CB VAL A 24 5.919 -6.059 -9.952 1.00 0.00 C ATOM 347 CG1 VAL A 24 7.108 -5.388 -9.280 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.611 -5.491 -9.423 1.00 0.00 C ATOM 0 H VAL A 24 4.662 -7.475 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 24 5.981 -4.841 -11.723 1.00 0.00 H new ATOM 0 HB VAL A 24 5.952 -7.122 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.031 -5.509 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.032 -5.847 -9.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.114 -4.326 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.575 -5.609 -8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.545 -4.433 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.774 -6.024 -9.874 1.00 0.00 H new ATOM 358 N ASN A 25 8.108 -5.714 -12.665 1.00 0.00 N ATOM 359 CA ASN A 25 9.380 -6.148 -13.263 1.00 0.00 C ATOM 360 C ASN A 25 9.121 -7.020 -14.498 1.00 0.00 C ATOM 361 O ASN A 25 9.658 -6.758 -15.576 1.00 0.00 O ATOM 362 CB ASN A 25 10.251 -6.901 -12.238 1.00 0.00 C ATOM 363 CG ASN A 25 11.728 -6.987 -12.620 1.00 0.00 C ATOM 364 OD1 ASN A 25 12.031 -6.993 -13.909 1.00 0.00 O flip ATOM 365 ND2 ASN A 25 12.596 -7.044 -11.748 1.00 0.00 N flip ATOM 0 H ASN A 25 7.907 -4.725 -12.811 1.00 0.00 H new ATOM 0 HA ASN A 25 9.927 -5.258 -13.574 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.165 -6.406 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.859 -7.911 -12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.331 -7.037 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.580 -7.098 -12.011 1.00 0.00 H new ATOM 372 N GLN A 26 8.283 -8.033 -14.330 1.00 0.00 N ATOM 373 CA GLN A 26 7.911 -8.951 -15.402 1.00 0.00 C ATOM 374 C GLN A 26 6.841 -9.910 -14.897 1.00 0.00 C ATOM 375 O GLN A 26 5.982 -10.361 -15.652 1.00 0.00 O ATOM 376 CB GLN A 26 9.127 -9.739 -15.908 1.00 0.00 C ATOM 377 CG GLN A 26 8.784 -10.770 -16.974 1.00 0.00 C ATOM 378 CD GLN A 26 10.011 -11.425 -17.571 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.070 -10.805 -17.679 1.00 0.00 O ATOM 380 NE2 GLN A 26 9.883 -12.680 -17.963 1.00 0.00 N ATOM 0 H GLN A 26 7.837 -8.244 -13.438 1.00 0.00 H new ATOM 0 HA GLN A 26 7.521 -8.368 -16.236 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.860 -9.040 -16.312 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.599 -10.243 -15.065 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.143 -11.537 -16.539 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.212 -10.289 -17.767 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.989 -13.159 -17.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.678 -13.170 -18.372 1.00 0.00 H new ATOM 389 N VAL A 27 6.898 -10.207 -13.604 1.00 0.00 N ATOM 390 CA VAL A 27 5.936 -11.102 -12.981 1.00 0.00 C ATOM 391 C VAL A 27 4.584 -10.412 -12.839 1.00 0.00 C ATOM 392 O VAL A 27 4.490 -9.309 -12.295 1.00 0.00 O ATOM 393 CB VAL A 27 6.422 -11.572 -11.594 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.456 -12.585 -10.995 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.824 -12.157 -11.685 1.00 0.00 C ATOM 0 H VAL A 27 7.604 -9.838 -12.966 1.00 0.00 H new ATOM 0 HA VAL A 27 5.833 -11.975 -13.626 1.00 0.00 H new ATOM 0 HB VAL A 27 6.455 -10.704 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.820 -12.901 -10.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.472 -12.129 -10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.383 -13.451 -11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.147 -12.482 -10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.819 -13.010 -12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.511 -11.399 -12.060 1.00 0.00 H new ATOM 405 N ARG A 28 3.547 -11.061 -13.340 1.00 0.00 N ATOM 406 CA ARG A 28 2.203 -10.511 -13.296 1.00 0.00 C ATOM 407 C ARG A 28 1.449 -11.036 -12.083 1.00 0.00 C ATOM 408 O ARG A 28 1.282 -12.245 -11.912 1.00 0.00 O ATOM 409 CB ARG A 28 1.446 -10.857 -14.577 1.00 0.00 C ATOM 410 CG ARG A 28 2.063 -10.250 -15.824 1.00 0.00 C ATOM 411 CD ARG A 28 1.311 -10.663 -17.074 1.00 0.00 C ATOM 412 NE ARG A 28 1.844 -10.016 -18.271 1.00 0.00 N ATOM 413 CZ ARG A 28 1.535 -10.381 -19.515 1.00 0.00 C ATOM 414 NH1 ARG A 28 0.761 -11.438 -19.727 1.00 0.00 N ATOM 415 NH2 ARG A 28 2.017 -9.700 -20.547 1.00 0.00 N ATOM 0 H ARG A 28 3.611 -11.976 -13.785 1.00 0.00 H new ATOM 0 HA ARG A 28 2.278 -9.427 -13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.411 -11.941 -14.688 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.416 -10.513 -14.486 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.062 -9.163 -15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.104 -10.562 -15.905 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.368 -11.745 -17.191 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.257 -10.409 -16.964 1.00 0.00 H new ATOM 0 HE ARG A 28 2.492 -9.238 -18.147 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.401 -11.973 -18.937 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.526 -11.715 -20.680 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.625 -8.896 -20.389 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.780 -9.980 -21.499 1.00 0.00 H new ATOM 429 N PHE A 29 1.010 -10.124 -11.236 1.00 0.00 N ATOM 430 CA PHE A 29 0.267 -10.483 -10.044 1.00 0.00 C ATOM 431 C PHE A 29 -1.218 -10.199 -10.232 1.00 0.00 C ATOM 432 O PHE A 29 -1.629 -9.047 -10.365 1.00 0.00 O ATOM 433 CB PHE A 29 0.797 -9.715 -8.829 1.00 0.00 C ATOM 434 CG PHE A 29 2.244 -9.986 -8.522 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.607 -11.066 -7.733 1.00 0.00 C ATOM 436 CD2 PHE A 29 3.240 -9.157 -9.014 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.935 -11.316 -7.444 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.569 -9.402 -8.728 1.00 0.00 C ATOM 439 CZ PHE A 29 4.917 -10.483 -7.942 1.00 0.00 C ATOM 0 H PHE A 29 1.157 -9.122 -11.354 1.00 0.00 H new ATOM 0 HA PHE A 29 0.400 -11.551 -9.870 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.666 -8.647 -9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.196 -9.974 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.843 -11.720 -7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.974 -8.309 -9.628 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.204 -12.162 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.335 -8.749 -9.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.956 -10.676 -7.717 1.00 0.00 H new ATOM 449 N SER A 30 -2.012 -11.255 -10.264 1.00 0.00 N ATOM 450 CA SER A 30 -3.462 -11.131 -10.345 1.00 0.00 C ATOM 451 C SER A 30 -4.069 -11.140 -8.943 1.00 0.00 C ATOM 452 O SER A 30 -5.263 -11.387 -8.758 1.00 0.00 O ATOM 453 CB SER A 30 -4.020 -12.278 -11.187 1.00 0.00 C ATOM 454 OG SER A 30 -3.348 -13.495 -10.892 1.00 0.00 O ATOM 0 H SER A 30 -1.676 -12.217 -10.235 1.00 0.00 H new ATOM 0 HA SER A 30 -3.723 -10.185 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.087 -12.391 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.910 -12.044 -12.246 1.00 0.00 H new ATOM 0 HG SER A 30 -3.722 -14.216 -11.440 1.00 0.00 H new ATOM 460 N HIS A 31 -3.231 -10.842 -7.965 1.00 0.00 N ATOM 461 CA HIS A 31 -3.619 -10.862 -6.565 1.00 0.00 C ATOM 462 C HIS A 31 -3.177 -9.556 -5.918 1.00 0.00 C ATOM 463 O HIS A 31 -2.209 -8.949 -6.375 1.00 0.00 O ATOM 464 CB HIS A 31 -2.948 -12.060 -5.875 1.00 0.00 C ATOM 465 CG HIS A 31 -3.387 -12.303 -4.463 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.835 -11.655 -3.379 1.00 0.00 N ATOM 467 CD2 HIS A 31 -4.306 -13.161 -3.956 1.00 0.00 C ATOM 468 CE1 HIS A 31 -3.391 -12.104 -2.271 1.00 0.00 C ATOM 469 NE2 HIS A 31 -4.287 -13.015 -2.591 1.00 0.00 N ATOM 0 H HIS A 31 -2.258 -10.578 -8.120 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.700 -10.962 -6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.148 -12.957 -6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.869 -11.908 -5.883 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.109 -10.940 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.935 -13.833 -4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.152 -11.779 -1.269 1.00 0.00 H new ATOM 478 N ALA A 32 -3.883 -9.115 -4.881 1.00 0.00 N ATOM 479 CA ALA A 32 -3.508 -7.894 -4.173 1.00 0.00 C ATOM 480 C ALA A 32 -2.094 -8.019 -3.625 1.00 0.00 C ATOM 481 O ALA A 32 -1.715 -9.071 -3.097 1.00 0.00 O ATOM 482 CB ALA A 32 -4.491 -7.597 -3.052 1.00 0.00 C ATOM 0 H ALA A 32 -4.713 -9.581 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.538 -7.063 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.192 -6.683 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.490 -7.469 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.497 -8.426 -2.344 1.00 0.00 H new ATOM 488 N ILE A 33 -1.309 -6.963 -3.770 1.00 0.00 N ATOM 489 CA ILE A 33 0.099 -7.005 -3.397 1.00 0.00 C ATOM 490 C ILE A 33 0.553 -5.698 -2.763 1.00 0.00 C ATOM 491 O ILE A 33 -0.027 -4.638 -3.005 1.00 0.00 O ATOM 492 CB ILE A 33 1.002 -7.304 -4.614 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.656 -6.369 -5.781 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.876 -8.765 -5.028 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.556 -6.534 -6.986 1.00 0.00 C ATOM 0 H ILE A 33 -1.621 -6.066 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 33 0.196 -7.810 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 33 2.039 -7.123 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.376 -6.548 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.713 -5.337 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.519 -8.957 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.177 -9.405 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.159 -8.980 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.248 -5.839 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.587 -6.326 -6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.482 -7.556 -7.359 1.00 0.00 H new ATOM 507 N ALA A 34 1.591 -5.794 -1.947 1.00 0.00 N ATOM 508 CA ALA A 34 2.206 -4.635 -1.326 1.00 0.00 C ATOM 509 C ALA A 34 3.716 -4.715 -1.495 1.00 0.00 C ATOM 510 O ALA A 34 4.334 -5.710 -1.117 1.00 0.00 O ATOM 511 CB ALA A 34 1.833 -4.559 0.148 1.00 0.00 C ATOM 0 H ALA A 34 2.030 -6.680 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 34 1.840 -3.730 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.303 -3.684 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.750 -4.480 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.179 -5.458 0.658 1.00 0.00 H new ATOM 517 N PHE A 35 4.309 -3.688 -2.080 1.00 0.00 N ATOM 518 CA PHE A 35 5.737 -3.707 -2.367 1.00 0.00 C ATOM 519 C PHE A 35 6.352 -2.317 -2.240 1.00 0.00 C ATOM 520 O PHE A 35 5.644 -1.305 -2.241 1.00 0.00 O ATOM 521 CB PHE A 35 6.000 -4.295 -3.762 1.00 0.00 C ATOM 522 CG PHE A 35 5.234 -3.629 -4.876 1.00 0.00 C ATOM 523 CD1 PHE A 35 3.913 -3.967 -5.128 1.00 0.00 C ATOM 524 CD2 PHE A 35 5.840 -2.678 -5.679 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.211 -3.366 -6.155 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.142 -2.073 -6.708 1.00 0.00 C ATOM 527 CZ PHE A 35 3.827 -2.418 -6.947 1.00 0.00 C ATOM 0 H PHE A 35 3.829 -2.834 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 35 6.216 -4.347 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.066 -4.223 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.748 -5.355 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.426 -4.710 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.870 -2.406 -5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.182 -3.637 -6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.626 -1.330 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.281 -1.947 -7.752 1.00 0.00 H new ATOM 537 N ALA A 36 7.673 -2.283 -2.137 1.00 0.00 N ATOM 538 CA ALA A 36 8.409 -1.044 -1.937 1.00 0.00 C ATOM 539 C ALA A 36 9.495 -0.903 -3.001 1.00 0.00 C ATOM 540 O ALA A 36 9.843 -1.884 -3.655 1.00 0.00 O ATOM 541 CB ALA A 36 9.015 -1.030 -0.538 1.00 0.00 C ATOM 0 H ALA A 36 8.264 -3.113 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 36 7.729 -0.198 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.566 -0.101 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.220 -1.103 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.693 -1.876 -0.427 1.00 0.00 H new ATOM 547 N PRO A 37 10.054 0.310 -3.194 1.00 0.00 N ATOM 548 CA PRO A 37 11.102 0.552 -4.199 1.00 0.00 C ATOM 549 C PRO A 37 12.459 -0.028 -3.796 1.00 0.00 C ATOM 550 O PRO A 37 13.502 0.419 -4.273 1.00 0.00 O ATOM 551 CB PRO A 37 11.174 2.079 -4.268 1.00 0.00 C ATOM 552 CG PRO A 37 10.736 2.536 -2.922 1.00 0.00 C ATOM 553 CD PRO A 37 9.700 1.545 -2.469 1.00 0.00 C ATOM 0 HA PRO A 37 10.868 0.073 -5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.185 2.419 -4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.525 2.472 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.576 2.568 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.321 3.543 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.732 1.398 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.692 1.879 -2.716 1.00 0.00 H new ATOM 561 N GLU A 38 12.431 -1.027 -2.927 1.00 0.00 N ATOM 562 CA GLU A 38 13.635 -1.715 -2.493 1.00 0.00 C ATOM 563 C GLU A 38 13.256 -2.907 -1.626 1.00 0.00 C ATOM 564 O GLU A 38 13.087 -2.781 -0.413 1.00 0.00 O ATOM 565 CB GLU A 38 14.567 -0.766 -1.731 1.00 0.00 C ATOM 566 CG GLU A 38 15.909 -1.382 -1.374 1.00 0.00 C ATOM 567 CD GLU A 38 16.887 -0.361 -0.838 1.00 0.00 C ATOM 568 OE1 GLU A 38 16.709 0.095 0.310 1.00 0.00 O ATOM 569 OE2 GLU A 38 17.828 0.007 -1.576 1.00 0.00 O ATOM 0 H GLU A 38 11.574 -1.382 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 38 14.173 -2.069 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.736 0.125 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.071 -0.442 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.760 -2.164 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.333 -1.859 -2.257 1.00 0.00 H new ATOM 576 N GLY A 39 13.074 -4.048 -2.268 1.00 0.00 N ATOM 577 CA GLY A 39 12.712 -5.252 -1.554 1.00 0.00 C ATOM 578 C GLY A 39 11.858 -6.174 -2.399 1.00 0.00 C ATOM 579 O GLY A 39 11.795 -6.011 -3.617 1.00 0.00 O ATOM 0 H GLY A 39 13.171 -4.162 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.616 -5.776 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.171 -4.987 -0.646 1.00 0.00 H new ATOM 583 N PRO A 40 11.203 -7.165 -1.777 1.00 0.00 N ATOM 584 CA PRO A 40 10.336 -8.106 -2.471 1.00 0.00 C ATOM 585 C PRO A 40 8.870 -7.670 -2.486 1.00 0.00 C ATOM 586 O PRO A 40 8.469 -6.754 -1.761 1.00 0.00 O ATOM 587 CB PRO A 40 10.509 -9.369 -1.634 1.00 0.00 C ATOM 588 CG PRO A 40 10.728 -8.877 -0.236 1.00 0.00 C ATOM 589 CD PRO A 40 11.273 -7.467 -0.337 1.00 0.00 C ATOM 0 HA PRO A 40 10.595 -8.213 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.627 -10.007 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.356 -9.961 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.795 -8.889 0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.428 -9.523 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.678 -6.766 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.296 -7.406 0.035 1.00 0.00 H new ATOM 597 N VAL A 41 8.074 -8.332 -3.315 1.00 0.00 N ATOM 598 CA VAL A 41 6.645 -8.064 -3.390 1.00 0.00 C ATOM 599 C VAL A 41 5.887 -8.983 -2.436 1.00 0.00 C ATOM 600 O VAL A 41 5.997 -10.207 -2.524 1.00 0.00 O ATOM 601 CB VAL A 41 6.105 -8.270 -4.822 1.00 0.00 C ATOM 602 CG1 VAL A 41 4.624 -7.926 -4.896 1.00 0.00 C ATOM 603 CG2 VAL A 41 6.894 -7.442 -5.823 1.00 0.00 C ATOM 0 H VAL A 41 8.397 -9.063 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 41 6.492 -7.023 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 41 6.226 -9.323 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.265 -8.079 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.067 -8.569 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.478 -6.884 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.495 -7.604 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.812 -6.386 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.942 -7.741 -5.797 1.00 0.00 H new ATOM 613 N ALA A 42 5.126 -8.395 -1.525 1.00 0.00 N ATOM 614 CA ALA A 42 4.355 -9.164 -0.563 1.00 0.00 C ATOM 615 C ALA A 42 2.928 -9.367 -1.055 1.00 0.00 C ATOM 616 O ALA A 42 2.331 -8.466 -1.645 1.00 0.00 O ATOM 617 CB ALA A 42 4.353 -8.469 0.791 1.00 0.00 C ATOM 0 H ALA A 42 5.027 -7.384 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 42 4.823 -10.142 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.771 -9.057 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.377 -8.373 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.909 -7.478 0.691 1.00 0.00 H new ATOM 623 N SER A 43 2.391 -10.556 -0.823 1.00 0.00 N ATOM 624 CA SER A 43 1.022 -10.859 -1.201 1.00 0.00 C ATOM 625 C SER A 43 0.049 -10.390 -0.119 1.00 0.00 C ATOM 626 O SER A 43 0.110 -10.836 1.027 1.00 0.00 O ATOM 627 CB SER A 43 0.880 -12.360 -1.459 1.00 0.00 C ATOM 628 OG SER A 43 1.585 -13.116 -0.487 1.00 0.00 O ATOM 0 H SER A 43 2.885 -11.327 -0.374 1.00 0.00 H new ATOM 0 HA SER A 43 0.777 -10.324 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.174 -12.636 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.258 -12.598 -2.453 1.00 0.00 H new ATOM 0 HG SER A 43 1.406 -12.751 0.405 1.00 0.00 H new ATOM 634 N TRP A 44 -0.848 -9.492 -0.497 1.00 0.00 N ATOM 635 CA TRP A 44 -1.777 -8.887 0.444 1.00 0.00 C ATOM 636 C TRP A 44 -3.125 -9.603 0.371 1.00 0.00 C ATOM 637 O TRP A 44 -3.792 -9.581 -0.663 1.00 0.00 O ATOM 638 CB TRP A 44 -1.929 -7.398 0.117 1.00 0.00 C ATOM 639 CG TRP A 44 -2.384 -6.559 1.272 1.00 0.00 C ATOM 640 CD1 TRP A 44 -2.042 -6.714 2.583 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.243 -5.414 1.214 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.645 -5.746 3.346 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.385 -4.932 2.529 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.907 -4.748 0.178 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -4.167 -3.820 2.835 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.681 -3.644 0.483 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.803 -3.189 1.802 1.00 0.00 C ATOM 0 H TRP A 44 -0.952 -9.164 -1.457 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.394 -8.985 1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.972 -7.016 -0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.641 -7.288 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.391 -7.486 2.965 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.557 -5.648 4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.816 -5.091 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.267 -3.469 3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.200 -3.124 -0.309 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.412 -2.321 2.008 1.00 0.00 H new ATOM 658 N PRO A 45 -3.542 -10.252 1.471 1.00 0.00 N ATOM 659 CA PRO A 45 -4.736 -11.117 1.496 1.00 0.00 C ATOM 660 C PRO A 45 -6.062 -10.350 1.522 1.00 0.00 C ATOM 661 O PRO A 45 -7.032 -10.799 2.131 1.00 0.00 O ATOM 662 CB PRO A 45 -4.555 -11.903 2.793 1.00 0.00 C ATOM 663 CG PRO A 45 -3.792 -10.988 3.684 1.00 0.00 C ATOM 664 CD PRO A 45 -2.875 -10.201 2.788 1.00 0.00 C ATOM 0 HA PRO A 45 -4.803 -11.725 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.516 -12.172 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.012 -12.832 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.464 -10.327 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.224 -11.550 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.757 -9.175 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.879 -10.641 2.749 1.00 0.00 H new ATOM 672 N VAL A 46 -6.117 -9.220 0.837 1.00 0.00 N ATOM 673 CA VAL A 46 -7.334 -8.424 0.778 1.00 0.00 C ATOM 674 C VAL A 46 -8.063 -8.656 -0.542 1.00 0.00 C ATOM 675 O VAL A 46 -7.444 -8.673 -1.608 1.00 0.00 O ATOM 676 CB VAL A 46 -7.030 -6.920 0.955 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.289 -6.080 0.791 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.406 -6.671 2.316 1.00 0.00 C ATOM 0 H VAL A 46 -5.333 -8.832 0.313 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.976 -8.742 1.599 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.325 -6.623 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.043 -5.026 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.703 -6.236 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.024 -6.376 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.196 -5.608 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.096 -6.991 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.477 -7.236 2.399 1.00 0.00 H new ATOM 688 N GLN A 47 -9.372 -8.867 -0.463 1.00 0.00 N ATOM 689 CA GLN A 47 -10.188 -9.090 -1.649 1.00 0.00 C ATOM 690 C GLN A 47 -11.167 -7.943 -1.847 1.00 0.00 C ATOM 691 O GLN A 47 -11.363 -7.459 -2.963 1.00 0.00 O ATOM 692 CB GLN A 47 -10.961 -10.402 -1.525 1.00 0.00 C ATOM 693 CG GLN A 47 -10.072 -11.631 -1.472 1.00 0.00 C ATOM 694 CD GLN A 47 -10.857 -12.898 -1.215 1.00 0.00 C ATOM 695 OE1 GLN A 47 -11.892 -12.876 -0.550 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.376 -14.011 -1.742 1.00 0.00 N ATOM 0 H GLN A 47 -9.892 -8.888 0.414 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.524 -9.145 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.574 -10.369 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.642 -10.493 -2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.531 -11.726 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.326 -11.503 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.514 -13.986 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.867 -14.894 -1.603 1.00 0.00 H new ATOM 705 N ARG A 48 -11.789 -7.526 -0.759 1.00 0.00 N ATOM 706 CA ARG A 48 -12.747 -6.438 -0.791 1.00 0.00 C ATOM 707 C ARG A 48 -12.240 -5.276 0.055 1.00 0.00 C ATOM 708 O ARG A 48 -11.499 -5.481 1.014 1.00 0.00 O ATOM 709 CB ARG A 48 -14.104 -6.922 -0.269 1.00 0.00 C ATOM 710 CG ARG A 48 -14.679 -8.086 -1.062 1.00 0.00 C ATOM 711 CD ARG A 48 -15.930 -8.649 -0.410 1.00 0.00 C ATOM 712 NE ARG A 48 -16.444 -9.814 -1.131 1.00 0.00 N ATOM 713 CZ ARG A 48 -16.438 -11.054 -0.639 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.942 -11.291 0.568 1.00 0.00 N ATOM 715 NH2 ARG A 48 -16.921 -12.057 -1.361 1.00 0.00 N ATOM 0 H ARG A 48 -11.645 -7.930 0.166 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.868 -6.098 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.998 -7.220 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.810 -6.092 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.914 -7.756 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.929 -8.872 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.708 -8.928 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.699 -7.877 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.829 -9.670 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.563 -10.524 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.939 -12.240 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.297 -11.880 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.916 -13.005 -0.985 1.00 0.00 H new ATOM 729 N PRO A 49 -12.638 -4.038 -0.280 1.00 0.00 N ATOM 730 CA PRO A 49 -12.217 -2.838 0.462 1.00 0.00 C ATOM 731 C PRO A 49 -12.710 -2.841 1.910 1.00 0.00 C ATOM 732 O PRO A 49 -12.347 -1.972 2.702 1.00 0.00 O ATOM 733 CB PRO A 49 -12.856 -1.682 -0.320 1.00 0.00 C ATOM 734 CG PRO A 49 -13.203 -2.251 -1.652 1.00 0.00 C ATOM 735 CD PRO A 49 -13.510 -3.700 -1.413 1.00 0.00 C ATOM 0 HA PRO A 49 -11.131 -2.770 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.743 -1.306 0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.165 -0.845 -0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.061 -1.736 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.376 -2.137 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.562 -3.856 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.289 -4.310 -2.289 1.00 0.00 H new ATOM 743 N ALA A 50 -13.539 -3.822 2.246 1.00 0.00 N ATOM 744 CA ALA A 50 -14.070 -3.956 3.594 1.00 0.00 C ATOM 745 C ALA A 50 -13.232 -4.930 4.423 1.00 0.00 C ATOM 746 O ALA A 50 -13.495 -5.133 5.608 1.00 0.00 O ATOM 747 CB ALA A 50 -15.520 -4.414 3.545 1.00 0.00 C ATOM 0 H ALA A 50 -13.859 -4.541 1.597 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.024 -2.979 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.906 -4.510 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.115 -3.682 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.580 -5.379 3.041 1.00 0.00 H new ATOM 753 N ASP A 51 -12.231 -5.540 3.792 1.00 0.00 N ATOM 754 CA ASP A 51 -11.340 -6.466 4.490 1.00 0.00 C ATOM 755 C ASP A 51 -10.228 -5.708 5.193 1.00 0.00 C ATOM 756 O ASP A 51 -9.701 -6.164 6.203 1.00 0.00 O ATOM 757 CB ASP A 51 -10.708 -7.478 3.525 1.00 0.00 C ATOM 758 CG ASP A 51 -11.702 -8.458 2.940 1.00 0.00 C ATOM 759 OD1 ASP A 51 -12.424 -9.120 3.718 1.00 0.00 O ATOM 760 OD2 ASP A 51 -11.746 -8.589 1.700 1.00 0.00 O ATOM 0 H ASP A 51 -12.017 -5.411 2.803 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.947 -7.002 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.221 -6.938 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.930 -8.032 4.051 1.00 0.00 H new ATOM 765 N ILE A 52 -9.880 -4.548 4.643 1.00 0.00 N ATOM 766 CA ILE A 52 -8.758 -3.753 5.136 1.00 0.00 C ATOM 767 C ILE A 52 -8.899 -3.436 6.624 1.00 0.00 C ATOM 768 O ILE A 52 -9.811 -2.716 7.039 1.00 0.00 O ATOM 769 CB ILE A 52 -8.624 -2.435 4.345 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.537 -2.724 2.844 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.398 -1.658 4.809 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.493 -1.480 1.980 1.00 0.00 C ATOM 0 H ILE A 52 -10.365 -4.134 3.847 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.860 -4.354 4.992 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.509 -1.826 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.646 -3.321 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.395 -3.328 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.318 -0.731 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.494 -1.426 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.504 -2.260 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.432 -1.768 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.396 -0.892 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.619 -0.884 2.244 1.00 0.00 H new ATOM 784 N THR A 53 -7.994 -3.993 7.419 1.00 0.00 N ATOM 785 CA THR A 53 -7.983 -3.778 8.856 1.00 0.00 C ATOM 786 C THR A 53 -6.596 -3.349 9.318 1.00 0.00 C ATOM 787 O THR A 53 -5.653 -3.331 8.524 1.00 0.00 O ATOM 788 CB THR A 53 -8.386 -5.058 9.609 1.00 0.00 C ATOM 789 OG1 THR A 53 -7.562 -6.155 9.182 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.851 -5.387 9.374 1.00 0.00 C ATOM 0 H THR A 53 -7.250 -4.605 7.084 1.00 0.00 H new ATOM 0 HA THR A 53 -8.705 -2.992 9.077 1.00 0.00 H new ATOM 0 HB THR A 53 -8.240 -4.890 10.676 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.822 -6.967 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.111 -6.296 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.470 -4.563 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.023 -5.539 8.308 1.00 0.00 H new ATOM 798 N ALA A 54 -6.476 -3.023 10.601 1.00 0.00 N ATOM 799 CA ALA A 54 -5.201 -2.616 11.181 1.00 0.00 C ATOM 800 C ALA A 54 -4.145 -3.705 11.003 1.00 0.00 C ATOM 801 O ALA A 54 -3.013 -3.423 10.612 1.00 0.00 O ATOM 802 CB ALA A 54 -5.376 -2.287 12.657 1.00 0.00 C ATOM 0 H ALA A 54 -7.252 -3.033 11.263 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.859 -1.724 10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.417 -1.985 13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.093 -1.473 12.766 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.743 -3.167 13.185 1.00 0.00 H new ATOM 808 N SER A 55 -4.531 -4.947 11.273 1.00 0.00 N ATOM 809 CA SER A 55 -3.621 -6.083 11.142 1.00 0.00 C ATOM 810 C SER A 55 -3.130 -6.228 9.703 1.00 0.00 C ATOM 811 O SER A 55 -1.944 -6.463 9.454 1.00 0.00 O ATOM 812 CB SER A 55 -4.319 -7.370 11.587 1.00 0.00 C ATOM 813 OG SER A 55 -4.805 -7.256 12.914 1.00 0.00 O ATOM 0 H SER A 55 -5.470 -5.195 11.585 1.00 0.00 H new ATOM 0 HA SER A 55 -2.758 -5.902 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.146 -7.591 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.622 -8.206 11.522 1.00 0.00 H new ATOM 0 HG SER A 55 -5.248 -8.091 13.173 1.00 0.00 H new ATOM 819 N LEU A 56 -4.042 -6.064 8.753 1.00 0.00 N ATOM 820 CA LEU A 56 -3.699 -6.193 7.347 1.00 0.00 C ATOM 821 C LEU A 56 -2.833 -5.026 6.889 1.00 0.00 C ATOM 822 O LEU A 56 -2.025 -5.168 5.973 1.00 0.00 O ATOM 823 CB LEU A 56 -4.961 -6.292 6.488 1.00 0.00 C ATOM 824 CG LEU A 56 -5.807 -7.545 6.732 1.00 0.00 C ATOM 825 CD1 LEU A 56 -7.018 -7.560 5.819 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.976 -8.800 6.524 1.00 0.00 C ATOM 0 H LEU A 56 -5.021 -5.842 8.932 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.126 -7.112 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.578 -5.413 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.672 -6.265 5.437 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.153 -7.525 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.605 -8.458 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.630 -6.679 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.690 -7.554 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.595 -9.680 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.600 -8.822 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.137 -8.800 7.219 1.00 0.00 H new ATOM 838 N LEU A 57 -2.994 -3.879 7.533 1.00 0.00 N ATOM 839 CA LEU A 57 -2.183 -2.710 7.221 1.00 0.00 C ATOM 840 C LEU A 57 -0.763 -2.880 7.749 1.00 0.00 C ATOM 841 O LEU A 57 0.186 -2.357 7.170 1.00 0.00 O ATOM 842 CB LEU A 57 -2.821 -1.441 7.789 1.00 0.00 C ATOM 843 CG LEU A 57 -4.125 -1.013 7.110 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.706 0.215 7.792 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.889 -0.740 5.631 1.00 0.00 C ATOM 0 H LEU A 57 -3.679 -3.732 8.275 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.134 -2.612 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.015 -1.594 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.103 -0.625 7.710 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.844 -1.827 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.632 0.503 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.911 -0.013 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.992 1.036 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.826 -0.437 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.154 0.057 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.518 -1.645 5.149 1.00 0.00 H new ATOM 857 N GLN A 58 -0.618 -3.624 8.843 1.00 0.00 N ATOM 858 CA GLN A 58 0.702 -3.947 9.376 1.00 0.00 C ATOM 859 C GLN A 58 1.467 -4.793 8.363 1.00 0.00 C ATOM 860 O GLN A 58 2.650 -4.563 8.105 1.00 0.00 O ATOM 861 CB GLN A 58 0.584 -4.697 10.705 1.00 0.00 C ATOM 862 CG GLN A 58 -0.150 -3.918 11.785 1.00 0.00 C ATOM 863 CD GLN A 58 -0.292 -4.700 13.078 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.343 -5.929 13.076 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.374 -3.990 14.193 1.00 0.00 N ATOM 0 H GLN A 58 -1.396 -4.013 9.376 1.00 0.00 H new ATOM 0 HA GLN A 58 1.243 -3.018 9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.066 -5.641 10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.584 -4.943 11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.385 -2.989 11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.140 -3.644 11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.328 -2.972 14.154 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.483 -4.461 15.091 1.00 0.00 H new ATOM 874 N GLN A 59 0.773 -5.766 7.783 1.00 0.00 N ATOM 875 CA GLN A 59 1.346 -6.592 6.726 1.00 0.00 C ATOM 876 C GLN A 59 1.633 -5.755 5.483 1.00 0.00 C ATOM 877 O GLN A 59 2.684 -5.894 4.860 1.00 0.00 O ATOM 878 CB GLN A 59 0.401 -7.740 6.368 1.00 0.00 C ATOM 879 CG GLN A 59 0.296 -8.811 7.442 1.00 0.00 C ATOM 880 CD GLN A 59 -0.713 -9.885 7.086 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.718 -9.616 6.431 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.450 -11.111 7.509 1.00 0.00 N ATOM 0 H GLN A 59 -0.189 -6.002 8.027 1.00 0.00 H new ATOM 0 HA GLN A 59 2.284 -7.007 7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.592 -7.333 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.741 -8.201 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.274 -9.269 7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.013 -8.348 8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.395 -11.293 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.092 -11.874 7.294 1.00 0.00 H new ATOM 891 N ALA A 60 0.695 -4.875 5.145 1.00 0.00 N ATOM 892 CA ALA A 60 0.821 -4.014 3.972 1.00 0.00 C ATOM 893 C ALA A 60 2.024 -3.086 4.083 1.00 0.00 C ATOM 894 O ALA A 60 2.673 -2.783 3.090 1.00 0.00 O ATOM 895 CB ALA A 60 -0.447 -3.197 3.774 1.00 0.00 C ATOM 0 H ALA A 60 -0.168 -4.739 5.672 1.00 0.00 H new ATOM 0 HA ALA A 60 0.972 -4.660 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.337 -2.561 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.294 -3.868 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.620 -2.576 4.653 1.00 0.00 H new ATOM 901 N ALA A 61 2.318 -2.642 5.300 1.00 0.00 N ATOM 902 CA ALA A 61 3.436 -1.737 5.534 1.00 0.00 C ATOM 903 C ALA A 61 4.767 -2.484 5.541 1.00 0.00 C ATOM 904 O ALA A 61 5.821 -1.888 5.743 1.00 0.00 O ATOM 905 CB ALA A 61 3.243 -0.988 6.844 1.00 0.00 C ATOM 0 H ALA A 61 1.797 -2.895 6.140 1.00 0.00 H new ATOM 0 HA ALA A 61 3.462 -1.019 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.085 -0.316 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.320 -0.410 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.185 -1.702 7.666 1.00 0.00 H new ATOM 911 N GLY A 62 4.709 -3.794 5.327 1.00 0.00 N ATOM 912 CA GLY A 62 5.916 -4.597 5.288 1.00 0.00 C ATOM 913 C GLY A 62 6.498 -4.834 6.668 1.00 0.00 C ATOM 914 O GLY A 62 7.623 -5.313 6.801 1.00 0.00 O ATOM 0 H GLY A 62 3.845 -4.315 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.696 -5.556 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.659 -4.101 4.664 1.00 0.00 H new ATOM 918 N LEU A 63 5.713 -4.535 7.698 1.00 0.00 N ATOM 919 CA LEU A 63 6.173 -4.658 9.077 1.00 0.00 C ATOM 920 C LEU A 63 6.284 -6.118 9.495 1.00 0.00 C ATOM 921 O LEU A 63 6.718 -6.427 10.603 1.00 0.00 O ATOM 922 CB LEU A 63 5.225 -3.920 10.023 1.00 0.00 C ATOM 923 CG LEU A 63 5.091 -2.420 9.767 1.00 0.00 C ATOM 924 CD1 LEU A 63 4.070 -1.812 10.712 1.00 0.00 C ATOM 925 CD2 LEU A 63 6.439 -1.730 9.922 1.00 0.00 C ATOM 0 H LEU A 63 4.753 -4.205 7.603 1.00 0.00 H new ATOM 0 HA LEU A 63 7.164 -4.208 9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.237 -4.375 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.570 -4.069 11.046 1.00 0.00 H new ATOM 0 HG LEU A 63 4.746 -2.273 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.986 -0.743 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.101 -2.287 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.389 -1.969 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.325 -0.662 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.812 -1.884 10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.147 -2.149 9.207 1.00 0.00 H new ATOM 1274 N ALA A 88 10.059 0.628 9.813 1.00 0.00 N ATOM 1275 CA ALA A 88 8.774 1.174 9.402 1.00 0.00 C ATOM 1276 C ALA A 88 8.952 2.249 8.332 1.00 0.00 C ATOM 1277 O ALA A 88 9.814 3.123 8.456 1.00 0.00 O ATOM 1278 CB ALA A 88 8.038 1.742 10.606 1.00 0.00 C ATOM 0 HA ALA A 88 8.181 0.366 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.078 2.148 10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.873 0.951 11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.635 2.534 11.057 1.00 0.00 H new ATOM 1284 N PRO A 89 8.147 2.184 7.263 1.00 0.00 N ATOM 1285 CA PRO A 89 8.196 3.150 6.170 1.00 0.00 C ATOM 1286 C PRO A 89 7.555 4.480 6.550 1.00 0.00 C ATOM 1287 O PRO A 89 6.642 4.527 7.375 1.00 0.00 O ATOM 1288 CB PRO A 89 7.395 2.479 5.041 1.00 0.00 C ATOM 1289 CG PRO A 89 7.068 1.104 5.529 1.00 0.00 C ATOM 1290 CD PRO A 89 7.129 1.158 7.026 1.00 0.00 C ATOM 0 HA PRO A 89 9.223 3.388 5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.487 3.041 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.977 2.438 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.078 0.798 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.777 0.375 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.168 1.431 7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.413 0.197 7.456 1.00 0.00 H new ATOM 1298 N GLU A 90 8.033 5.554 5.936 1.00 0.00 N ATOM 1299 CA GLU A 90 7.499 6.882 6.194 1.00 0.00 C ATOM 1300 C GLU A 90 6.069 7.002 5.684 1.00 0.00 C ATOM 1301 O GLU A 90 5.193 7.516 6.378 1.00 0.00 O ATOM 1302 CB GLU A 90 8.378 7.946 5.533 1.00 0.00 C ATOM 1303 CG GLU A 90 9.678 8.210 6.272 1.00 0.00 C ATOM 1304 CD GLU A 90 9.451 8.853 7.626 1.00 0.00 C ATOM 1305 OE1 GLU A 90 9.250 10.086 7.676 1.00 0.00 O ATOM 1306 OE2 GLU A 90 9.478 8.137 8.644 1.00 0.00 O ATOM 0 H GLU A 90 8.791 5.530 5.254 1.00 0.00 H new ATOM 0 HA GLU A 90 7.496 7.041 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.607 7.634 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.815 8.877 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.215 7.271 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.312 8.858 5.667 1.00 0.00 H new ATOM 1313 N VAL A 91 5.828 6.512 4.479 1.00 0.00 N ATOM 1314 CA VAL A 91 4.515 6.639 3.874 1.00 0.00 C ATOM 1315 C VAL A 91 4.036 5.309 3.291 1.00 0.00 C ATOM 1316 O VAL A 91 4.797 4.572 2.659 1.00 0.00 O ATOM 1317 CB VAL A 91 4.499 7.750 2.793 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.585 7.523 1.754 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.132 7.854 2.133 1.00 0.00 C ATOM 0 H VAL A 91 6.518 6.027 3.906 1.00 0.00 H new ATOM 0 HA VAL A 91 3.821 6.926 4.664 1.00 0.00 H new ATOM 0 HB VAL A 91 4.705 8.697 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.548 8.318 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.560 7.526 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.426 6.561 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.151 8.641 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.883 6.904 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.381 8.091 2.887 1.00 0.00 H new ATOM 1329 N LEU A 92 2.774 5.004 3.546 1.00 0.00 N ATOM 1330 CA LEU A 92 2.137 3.803 3.036 1.00 0.00 C ATOM 1331 C LEU A 92 0.979 4.197 2.131 1.00 0.00 C ATOM 1332 O LEU A 92 0.067 4.908 2.555 1.00 0.00 O ATOM 1333 CB LEU A 92 1.635 2.938 4.199 1.00 0.00 C ATOM 1334 CG LEU A 92 0.895 1.655 3.805 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.827 0.691 3.089 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.286 0.994 5.032 1.00 0.00 C ATOM 0 H LEU A 92 2.160 5.586 4.116 1.00 0.00 H new ATOM 0 HA LEU A 92 2.860 3.222 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.489 2.666 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.971 3.543 4.817 1.00 0.00 H new ATOM 0 HG LEU A 92 0.091 1.923 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.279 -0.212 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.215 1.163 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.656 0.430 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.236 0.084 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.076 0.744 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.419 1.679 5.502 1.00 0.00 H new ATOM 1348 N LEU A 93 1.022 3.754 0.888 1.00 0.00 N ATOM 1349 CA LEU A 93 -0.001 4.114 -0.080 1.00 0.00 C ATOM 1350 C LEU A 93 -0.956 2.954 -0.315 1.00 0.00 C ATOM 1351 O LEU A 93 -0.541 1.868 -0.719 1.00 0.00 O ATOM 1352 CB LEU A 93 0.639 4.547 -1.402 1.00 0.00 C ATOM 1353 CG LEU A 93 1.525 5.793 -1.317 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.130 6.111 -2.674 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.726 6.978 -0.797 1.00 0.00 C ATOM 0 H LEU A 93 1.754 3.144 0.524 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.569 4.951 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.237 3.721 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.153 4.732 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 93 2.337 5.592 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.756 6.999 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.736 5.269 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.332 6.293 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.370 7.856 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.106 7.180 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.340 6.749 0.196 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.230 3.185 -0.048 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.251 2.173 -0.268 1.00 0.00 C ATOM 1369 C VAL A 94 -4.033 2.491 -1.536 1.00 0.00 C ATOM 1370 O VAL A 94 -4.644 3.554 -1.645 1.00 0.00 O ATOM 1371 CB VAL A 94 -4.223 2.075 0.928 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.260 0.983 0.696 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.456 1.820 2.216 1.00 0.00 C ATOM 0 H VAL A 94 -2.584 4.067 0.323 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.748 1.212 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.748 3.026 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.933 0.933 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.832 1.210 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.757 0.024 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.156 1.754 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.903 0.884 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.759 2.639 2.392 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.996 1.576 -2.493 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.665 1.795 -3.754 1.00 0.00 C ATOM 1385 C GLY A 95 -6.020 1.125 -3.817 1.00 0.00 C ATOM 1386 O GLY A 95 -6.121 -0.075 -4.073 1.00 0.00 O ATOM 0 H GLY A 95 -3.511 0.682 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.785 2.866 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.039 1.418 -4.563 1.00 0.00 H new ATOM 1390 N THR A 96 -7.061 1.904 -3.576 1.00 0.00 N ATOM 1391 CA THR A 96 -8.427 1.418 -3.666 1.00 0.00 C ATOM 1392 C THR A 96 -9.222 2.330 -4.599 1.00 0.00 C ATOM 1393 O THR A 96 -9.754 3.352 -4.177 1.00 0.00 O ATOM 1394 CB THR A 96 -9.086 1.382 -2.273 1.00 0.00 C ATOM 1395 OG1 THR A 96 -8.160 0.849 -1.319 1.00 0.00 O ATOM 1396 CG2 THR A 96 -10.341 0.526 -2.278 1.00 0.00 C ATOM 0 H THR A 96 -6.984 2.887 -3.314 1.00 0.00 H new ATOM 0 HA THR A 96 -8.419 0.403 -4.063 1.00 0.00 H new ATOM 0 HB THR A 96 -9.363 2.401 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.579 0.828 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.782 0.521 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.058 0.935 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.085 -0.493 -2.567 1.00 0.00 H new ATOM 1404 N GLY A 97 -9.278 1.968 -5.876 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.821 2.872 -6.874 1.00 0.00 C ATOM 1406 C GLY A 97 -11.234 2.543 -7.317 1.00 0.00 C ATOM 1407 O GLY A 97 -11.859 3.336 -8.015 1.00 0.00 O ATOM 0 H GLY A 97 -8.959 1.069 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.806 3.886 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.169 2.864 -7.747 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.748 1.383 -6.929 1.00 0.00 N ATOM 1412 CA ARG A 98 -13.094 1.001 -7.351 1.00 0.00 C ATOM 1413 C ARG A 98 -14.122 1.504 -6.346 1.00 0.00 C ATOM 1414 O ARG A 98 -15.283 1.734 -6.683 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.215 -0.514 -7.523 1.00 0.00 C ATOM 1416 CG ARG A 98 -14.413 -0.916 -8.371 1.00 0.00 C ATOM 1417 CD ARG A 98 -14.419 -2.402 -8.684 1.00 0.00 C ATOM 1418 NE ARG A 98 -14.806 -3.217 -7.534 1.00 0.00 N ATOM 1419 CZ ARG A 98 -14.471 -4.497 -7.388 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -13.620 -5.069 -8.231 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -14.962 -5.193 -6.373 1.00 0.00 N ATOM 0 H ARG A 98 -11.270 0.704 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.287 1.463 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.304 -0.897 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.297 -0.981 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.332 -0.653 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.404 -0.350 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.106 -2.593 -9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.427 -2.703 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.365 -2.780 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.219 -4.527 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.368 -6.050 -8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.594 -4.748 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.708 -6.174 -6.257 1.00 0.00 H new ATOM 1435 N ARG A 99 -13.675 1.664 -5.112 1.00 0.00 N ATOM 1436 CA ARG A 99 -14.489 2.230 -4.050 1.00 0.00 C ATOM 1437 C ARG A 99 -13.575 2.739 -2.947 1.00 0.00 C ATOM 1438 O ARG A 99 -13.139 1.978 -2.083 1.00 0.00 O ATOM 1439 CB ARG A 99 -15.491 1.204 -3.504 1.00 0.00 C ATOM 1440 CG ARG A 99 -16.315 1.724 -2.334 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.501 0.822 -2.021 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.511 0.853 -3.082 1.00 0.00 N ATOM 1443 CZ ARG A 99 -19.390 1.848 -3.245 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.378 2.890 -2.422 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -20.281 1.804 -4.229 1.00 0.00 N ATOM 0 H ARG A 99 -12.734 1.404 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 99 -15.072 3.059 -4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -16.164 0.902 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.950 0.312 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.680 1.805 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -16.674 2.728 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.152 -0.201 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.954 1.133 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.546 0.070 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.697 2.933 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -20.049 3.647 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.298 1.008 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.948 2.566 -4.347 1.00 0.00 H new ATOM 1459 N GLN A 100 -13.257 4.021 -3.021 1.00 0.00 N ATOM 1460 CA GLN A 100 -12.305 4.643 -2.126 1.00 0.00 C ATOM 1461 C GLN A 100 -12.815 4.644 -0.689 1.00 0.00 C ATOM 1462 O GLN A 100 -13.767 5.351 -0.348 1.00 0.00 O ATOM 1463 CB GLN A 100 -12.001 6.072 -2.594 1.00 0.00 C ATOM 1464 CG GLN A 100 -11.406 6.148 -3.999 1.00 0.00 C ATOM 1465 CD GLN A 100 -12.452 6.231 -5.104 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -13.586 5.772 -4.953 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -12.070 6.790 -6.239 1.00 0.00 N ATOM 0 H GLN A 100 -13.656 4.660 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.384 4.060 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.921 6.656 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.309 6.535 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.755 7.020 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.781 5.271 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.124 7.161 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.721 6.851 -7.022 1.00 0.00 H new ATOM 1476 N HIS A 101 -12.183 3.829 0.140 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.539 3.733 1.545 1.00 0.00 C ATOM 1478 C HIS A 101 -11.483 4.424 2.395 1.00 0.00 C ATOM 1479 O HIS A 101 -10.306 4.070 2.342 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.676 2.263 1.963 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.036 2.071 3.406 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.101 1.826 4.390 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.237 2.087 4.029 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -12.714 1.700 5.554 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -14.009 1.857 5.363 1.00 0.00 N ATOM 0 H HIS A 101 -11.414 3.220 -0.140 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.498 4.227 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.437 1.789 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.736 1.750 1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.197 2.250 3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.235 1.502 6.502 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.725 1.814 6.088 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.907 5.401 3.178 1.00 0.00 N ATOM 1495 CA LEU A 102 -10.992 6.138 4.035 1.00 0.00 C ATOM 1496 C LEU A 102 -10.633 5.305 5.257 1.00 0.00 C ATOM 1497 O LEU A 102 -11.502 4.693 5.879 1.00 0.00 O ATOM 1498 CB LEU A 102 -11.596 7.482 4.473 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.662 8.575 3.395 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -10.295 8.791 2.764 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -12.700 8.241 2.330 1.00 0.00 C ATOM 0 H LEU A 102 -12.879 5.703 3.239 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.088 6.345 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.606 7.301 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.014 7.862 5.313 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.969 9.502 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.364 9.569 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.584 9.096 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.956 7.863 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.722 9.034 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.439 7.297 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.682 8.153 2.794 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.352 5.262 5.582 1.00 0.00 N ATOM 1514 CA LEU A 103 -8.885 4.504 6.730 1.00 0.00 C ATOM 1515 C LEU A 103 -8.798 5.425 7.942 1.00 0.00 C ATOM 1516 O LEU A 103 -8.322 6.557 7.833 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.523 3.869 6.430 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.449 3.083 5.114 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -6.068 2.472 4.937 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.521 2.001 5.059 1.00 0.00 C ATOM 0 H LEU A 103 -8.616 5.744 5.066 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.590 3.701 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.769 4.656 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.262 3.200 7.250 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.631 3.779 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.033 1.918 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.319 3.264 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.861 1.795 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.444 1.461 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.380 1.307 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.506 2.461 5.135 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.247 4.942 9.090 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.368 5.803 10.250 1.00 0.00 C ATOM 1534 C GLY A 104 -8.301 5.546 11.294 1.00 0.00 C ATOM 1535 O GLY A 104 -7.561 4.564 11.194 1.00 0.00 O ATOM 0 H GLY A 104 -9.529 3.973 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.312 6.844 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.350 5.660 10.700 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.220 6.418 12.320 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.199 6.345 13.375 1.00 0.00 C ATOM 1541 C PRO A 105 -7.047 4.950 13.974 1.00 0.00 C ATOM 1542 O PRO A 105 -5.931 4.478 14.164 1.00 0.00 O ATOM 1543 CB PRO A 105 -7.718 7.320 14.432 1.00 0.00 C ATOM 1544 CG PRO A 105 -8.502 8.320 13.661 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.127 7.567 12.519 1.00 0.00 C ATOM 0 HA PRO A 105 -6.209 6.585 12.987 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.339 6.812 15.170 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.898 7.791 14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.265 8.784 14.286 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.860 9.121 13.295 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.139 7.241 12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.195 8.183 11.623 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.172 4.296 14.252 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.171 2.953 14.837 1.00 0.00 C ATOM 1555 C GLU A 106 -7.312 1.988 14.018 1.00 0.00 C ATOM 1556 O GLU A 106 -6.475 1.267 14.558 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.606 2.419 14.912 1.00 0.00 C ATOM 1558 CG GLU A 106 -9.710 0.984 15.409 1.00 0.00 C ATOM 1559 CD GLU A 106 -9.339 0.835 16.869 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -8.142 0.687 17.176 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -10.254 0.856 17.717 1.00 0.00 O ATOM 0 H GLU A 106 -9.103 4.676 14.081 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.747 3.024 15.839 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.188 3.063 15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.058 2.483 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.729 0.627 15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.059 0.349 14.808 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.502 2.016 12.710 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.861 1.063 11.817 1.00 0.00 C ATOM 1570 C GLN A 107 -5.387 1.397 11.604 1.00 0.00 C ATOM 1571 O GLN A 107 -4.625 0.583 11.084 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.603 1.039 10.480 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.052 0.594 10.615 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.864 0.802 9.352 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.618 1.732 8.580 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.849 -0.056 9.144 1.00 0.00 N ATOM 0 H GLN A 107 -8.100 2.694 12.239 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.907 0.076 12.277 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.574 2.034 10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.085 0.369 9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.077 -0.462 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.519 1.143 11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.017 -0.811 9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.441 0.037 8.318 1.00 0.00 H new ATOM 1585 N VAL A 108 -4.982 2.587 12.018 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.608 3.026 11.817 1.00 0.00 C ATOM 1587 C VAL A 108 -2.929 3.401 13.133 1.00 0.00 C ATOM 1588 O VAL A 108 -1.858 4.009 13.124 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.532 4.223 10.841 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.003 3.815 9.452 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.347 5.399 11.355 1.00 0.00 C ATOM 0 H VAL A 108 -5.580 3.263 12.493 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.077 2.179 11.382 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.490 4.536 10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.942 4.672 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.370 3.012 9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.035 3.469 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.276 6.227 10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.390 5.100 11.460 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.960 5.714 12.324 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.528 3.015 14.262 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.972 3.337 15.573 1.00 0.00 C ATOM 1603 C ARG A 109 -1.528 2.842 15.724 1.00 0.00 C ATOM 1604 O ARG A 109 -0.638 3.634 16.038 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.839 2.774 16.703 1.00 0.00 C ATOM 1606 CG ARG A 109 -5.115 3.560 16.961 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.701 3.238 18.327 1.00 0.00 C ATOM 1608 NE ARG A 109 -6.055 1.825 18.469 1.00 0.00 N ATOM 1609 CZ ARG A 109 -5.508 1.003 19.365 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -4.522 1.421 20.151 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -5.938 -0.247 19.461 1.00 0.00 N ATOM 0 H ARG A 109 -4.396 2.480 14.292 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.965 4.424 15.647 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.102 1.744 16.465 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.250 2.749 17.620 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.905 4.628 16.896 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.847 3.331 16.187 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.981 3.508 19.100 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.588 3.849 18.491 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.765 1.445 17.843 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.177 2.378 20.072 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.110 0.785 20.834 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.685 -0.578 18.850 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.522 -0.878 20.145 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.253 1.535 15.502 1.00 0.00 N ATOM 1626 CA PRO A 110 0.108 1.002 15.610 1.00 0.00 C ATOM 1627 C PRO A 110 1.040 1.607 14.567 1.00 0.00 C ATOM 1628 O PRO A 110 2.243 1.711 14.781 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.057 -0.505 15.363 1.00 0.00 C ATOM 1630 CG PRO A 110 -1.507 -0.778 15.557 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.220 0.477 15.149 1.00 0.00 C ATOM 0 HA PRO A 110 0.555 1.234 16.577 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.263 -0.776 14.357 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.549 -1.086 16.058 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.829 -1.625 14.951 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.722 -1.029 16.596 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.453 0.481 14.084 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.163 0.597 15.682 1.00 0.00 H new ATOM 1639 N LEU A 111 0.467 2.032 13.451 1.00 0.00 N ATOM 1640 CA LEU A 111 1.246 2.538 12.330 1.00 0.00 C ATOM 1641 C LEU A 111 1.699 3.973 12.580 1.00 0.00 C ATOM 1642 O LEU A 111 2.868 4.302 12.383 1.00 0.00 O ATOM 1643 CB LEU A 111 0.423 2.453 11.045 1.00 0.00 C ATOM 1644 CG LEU A 111 -0.106 1.056 10.716 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.969 1.094 9.472 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.043 0.076 10.533 1.00 0.00 C ATOM 0 H LEU A 111 -0.541 2.036 13.297 1.00 0.00 H new ATOM 0 HA LEU A 111 2.138 1.921 12.223 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.422 3.137 11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.036 2.800 10.213 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.718 0.717 11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.336 0.091 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.814 1.763 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.378 1.456 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.645 -0.912 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.681 0.412 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.627 0.024 11.452 1.00 0.00 H new ATOM 1658 N LEU A 112 0.774 4.815 13.033 1.00 0.00 N ATOM 1659 CA LEU A 112 1.081 6.215 13.317 1.00 0.00 C ATOM 1660 C LEU A 112 2.152 6.327 14.395 1.00 0.00 C ATOM 1661 O LEU A 112 2.996 7.224 14.355 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.174 6.969 13.764 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.288 7.077 12.721 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.485 7.813 13.303 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.787 7.781 11.470 1.00 0.00 C ATOM 0 H LEU A 112 -0.195 4.552 13.212 1.00 0.00 H new ATOM 0 HA LEU A 112 1.455 6.663 12.397 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.576 6.476 14.649 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.117 7.976 14.064 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.599 6.070 12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.270 7.883 12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.860 7.269 14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.183 8.815 13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.595 7.847 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.448 8.784 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.042 7.217 11.042 1.00 0.00 H new ATOM 1677 N ALA A 113 2.121 5.399 15.345 1.00 0.00 N ATOM 1678 CA ALA A 113 3.085 5.378 16.437 1.00 0.00 C ATOM 1679 C ALA A 113 4.489 5.056 15.928 1.00 0.00 C ATOM 1680 O ALA A 113 5.483 5.396 16.570 1.00 0.00 O ATOM 1681 CB ALA A 113 2.660 4.371 17.494 1.00 0.00 C ATOM 0 H ALA A 113 1.433 4.647 15.380 1.00 0.00 H new ATOM 0 HA ALA A 113 3.111 6.371 16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.389 4.365 18.305 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.682 4.647 17.887 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.604 3.378 17.049 1.00 0.00 H new ATOM 1687 N MET A 114 4.563 4.408 14.772 1.00 0.00 N ATOM 1688 CA MET A 114 5.845 4.058 14.174 1.00 0.00 C ATOM 1689 C MET A 114 6.272 5.130 13.179 1.00 0.00 C ATOM 1690 O MET A 114 7.386 5.107 12.664 1.00 0.00 O ATOM 1691 CB MET A 114 5.763 2.701 13.470 1.00 0.00 C ATOM 1692 CG MET A 114 5.270 1.575 14.362 1.00 0.00 C ATOM 1693 SD MET A 114 5.248 -0.015 13.514 1.00 0.00 S ATOM 1694 CE MET A 114 4.276 -0.998 14.653 1.00 0.00 C ATOM 0 H MET A 114 3.750 4.114 14.230 1.00 0.00 H new ATOM 0 HA MET A 114 6.586 3.993 14.971 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.099 2.788 12.610 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.749 2.442 13.086 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.910 1.506 15.242 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.266 1.809 14.716 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.322 -2.047 14.360 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.674 -0.886 15.662 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.240 -0.661 14.632 1.00 0.00 H new ATOM 1704 N GLY A 115 5.376 6.067 12.912 1.00 0.00 N ATOM 1705 CA GLY A 115 5.680 7.142 11.991 1.00 0.00 C ATOM 1706 C GLY A 115 5.060 6.931 10.628 1.00 0.00 C ATOM 1707 O GLY A 115 5.069 7.833 9.791 1.00 0.00 O ATOM 0 H GLY A 115 4.441 6.102 13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.323 8.084 12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.761 7.230 11.885 1.00 0.00 H new ATOM 1711 N VAL A 116 4.497 5.750 10.418 1.00 0.00 N ATOM 1712 CA VAL A 116 3.922 5.386 9.130 1.00 0.00 C ATOM 1713 C VAL A 116 2.716 6.264 8.801 1.00 0.00 C ATOM 1714 O VAL A 116 1.755 6.333 9.570 1.00 0.00 O ATOM 1715 CB VAL A 116 3.488 3.904 9.104 1.00 0.00 C ATOM 1716 CG1 VAL A 116 2.998 3.506 7.720 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.625 2.998 9.553 1.00 0.00 C ATOM 0 H VAL A 116 4.426 5.022 11.129 1.00 0.00 H new ATOM 0 HA VAL A 116 4.698 5.541 8.381 1.00 0.00 H new ATOM 0 HB VAL A 116 2.661 3.784 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.698 2.458 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.145 4.126 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.800 3.649 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.295 1.960 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.477 3.125 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.919 3.259 10.570 1.00 0.00 H new ATOM 1727 N GLY A 117 2.788 6.953 7.673 1.00 0.00 N ATOM 1728 CA GLY A 117 1.664 7.731 7.201 1.00 0.00 C ATOM 1729 C GLY A 117 0.898 6.988 6.130 1.00 0.00 C ATOM 1730 O GLY A 117 1.395 6.808 5.020 1.00 0.00 O ATOM 0 H GLY A 117 3.612 6.987 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.000 7.959 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.018 8.683 6.805 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.301 6.542 6.462 1.00 0.00 N ATOM 1735 CA VAL A 118 -1.089 5.723 5.553 1.00 0.00 C ATOM 1736 C VAL A 118 -2.073 6.578 4.765 1.00 0.00 C ATOM 1737 O VAL A 118 -3.038 7.103 5.320 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.860 4.631 6.317 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.589 3.707 5.352 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.917 3.840 7.210 1.00 0.00 C ATOM 0 H VAL A 118 -0.752 6.733 7.356 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.395 5.247 4.861 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.605 5.116 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.126 2.944 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.297 4.286 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.867 3.229 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.478 3.072 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.147 3.368 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.448 4.511 7.929 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.819 6.713 3.475 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.676 7.497 2.601 1.00 0.00 C ATOM 1752 C GLU A 119 -3.462 6.582 1.667 1.00 0.00 C ATOM 1753 O GLU A 119 -2.883 5.859 0.852 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.838 8.485 1.788 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.116 9.520 2.639 1.00 0.00 C ATOM 1756 CD GLU A 119 -2.072 10.417 3.400 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.682 11.306 2.770 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -2.216 10.245 4.630 1.00 0.00 O ATOM 0 H GLU A 119 -1.020 6.286 3.006 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.381 8.056 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.103 7.930 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.486 8.999 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.461 9.011 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.481 10.132 1.999 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.780 6.604 1.801 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.648 5.792 0.960 1.00 0.00 C ATOM 1767 C ALA A 120 -6.135 6.597 -0.238 1.00 0.00 C ATOM 1768 O ALA A 120 -6.827 7.602 -0.081 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.827 5.268 1.766 1.00 0.00 C ATOM 0 H ALA A 120 -5.273 7.177 2.486 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.076 4.941 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.467 4.663 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.461 4.658 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.399 6.107 2.161 1.00 0.00 H new ATOM 1775 N MET A 121 -5.760 6.159 -1.431 1.00 0.00 N ATOM 1776 CA MET A 121 -6.132 6.851 -2.656 1.00 0.00 C ATOM 1777 C MET A 121 -6.551 5.850 -3.721 1.00 0.00 C ATOM 1778 O MET A 121 -6.674 4.653 -3.451 1.00 0.00 O ATOM 1779 CB MET A 121 -4.964 7.699 -3.181 1.00 0.00 C ATOM 1780 CG MET A 121 -4.589 8.867 -2.283 1.00 0.00 C ATOM 1781 SD MET A 121 -3.233 9.853 -2.955 1.00 0.00 S ATOM 1782 CE MET A 121 -1.912 8.643 -2.992 1.00 0.00 C ATOM 0 H MET A 121 -5.195 5.322 -1.577 1.00 0.00 H new ATOM 0 HA MET A 121 -6.970 7.510 -2.429 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.092 7.057 -3.307 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.223 8.082 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.461 9.505 -2.140 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.306 8.489 -1.301 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.018 9.066 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.217 7.754 -2.440 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.696 8.372 -4.025 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.771 6.347 -4.930 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.123 5.500 -6.061 1.00 0.00 C ATOM 1794 C ASP A 122 -5.943 4.605 -6.419 1.00 0.00 C ATOM 1795 O ASP A 122 -4.801 4.922 -6.083 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.492 6.359 -7.275 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.351 7.553 -6.910 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -7.781 8.611 -6.565 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.590 7.447 -6.968 1.00 0.00 O ATOM 0 H ASP A 122 -6.711 7.340 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.980 4.886 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.579 6.708 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.023 5.744 -8.002 1.00 0.00 H new ATOM 1804 N THR A 123 -6.208 3.505 -7.112 1.00 0.00 N ATOM 1805 CA THR A 123 -5.153 2.575 -7.496 1.00 0.00 C ATOM 1806 C THR A 123 -4.095 3.271 -8.352 1.00 0.00 C ATOM 1807 O THR A 123 -2.905 3.238 -8.039 1.00 0.00 O ATOM 1808 CB THR A 123 -5.728 1.371 -8.263 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.619 1.824 -9.288 1.00 0.00 O ATOM 1810 CG2 THR A 123 -6.466 0.425 -7.328 1.00 0.00 C ATOM 0 H THR A 123 -7.142 3.235 -7.419 1.00 0.00 H new ATOM 0 HA THR A 123 -4.686 2.216 -6.579 1.00 0.00 H new ATOM 0 HB THR A 123 -4.896 0.830 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.367 1.417 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.861 -0.416 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.779 0.056 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.288 0.956 -6.848 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.546 3.923 -9.416 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.649 4.634 -10.318 1.00 0.00 C ATOM 1820 C GLN A 124 -2.981 5.810 -9.607 1.00 0.00 C ATOM 1821 O GLN A 124 -1.807 6.098 -9.841 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.414 5.125 -11.551 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.543 5.847 -12.572 1.00 0.00 C ATOM 1824 CD GLN A 124 -2.443 4.967 -13.138 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -2.631 4.292 -14.148 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -1.286 4.976 -12.495 1.00 0.00 N ATOM 0 H GLN A 124 -5.531 3.974 -9.676 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.870 3.942 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.891 4.272 -12.034 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.211 5.796 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.170 6.206 -13.388 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.095 6.724 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.171 5.550 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.509 4.409 -12.835 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.726 6.475 -8.729 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.206 7.629 -8.005 1.00 0.00 C ATOM 1837 C ALA A 125 -2.085 7.216 -7.056 1.00 0.00 C ATOM 1838 O ALA A 125 -1.022 7.839 -7.026 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.320 8.327 -7.241 1.00 0.00 C ATOM 0 H ALA A 125 -4.691 6.234 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.795 8.328 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.913 9.185 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.085 8.664 -7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.762 7.632 -6.527 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.323 6.154 -6.296 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.332 5.645 -5.359 1.00 0.00 C ATOM 1847 C ALA A 126 -0.103 5.137 -6.100 1.00 0.00 C ATOM 1848 O ALA A 126 1.026 5.434 -5.719 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.930 4.541 -4.499 1.00 0.00 C ATOM 0 H ALA A 126 -3.197 5.628 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.025 6.463 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.176 4.172 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.778 4.935 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.266 3.724 -5.138 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.336 4.393 -7.176 1.00 0.00 N ATOM 1856 CA ALA A 127 0.749 3.842 -7.980 1.00 0.00 C ATOM 1857 C ALA A 127 1.595 4.947 -8.605 1.00 0.00 C ATOM 1858 O ALA A 127 2.823 4.872 -8.606 1.00 0.00 O ATOM 1859 CB ALA A 127 0.197 2.926 -9.062 1.00 0.00 C ATOM 0 H ALA A 127 -1.270 4.157 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 127 1.391 3.261 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.020 2.523 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.352 2.106 -8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.473 3.491 -9.710 1.00 0.00 H new ATOM 1865 N ARG A 128 0.937 5.978 -9.120 1.00 0.00 N ATOM 1866 CA ARG A 128 1.638 7.077 -9.771 1.00 0.00 C ATOM 1867 C ARG A 128 2.503 7.831 -8.763 1.00 0.00 C ATOM 1868 O ARG A 128 3.647 8.189 -9.051 1.00 0.00 O ATOM 1869 CB ARG A 128 0.645 8.037 -10.426 1.00 0.00 C ATOM 1870 CG ARG A 128 1.294 8.975 -11.429 1.00 0.00 C ATOM 1871 CD ARG A 128 0.308 9.996 -11.968 1.00 0.00 C ATOM 1872 NE ARG A 128 0.871 10.750 -13.085 1.00 0.00 N ATOM 1873 CZ ARG A 128 1.720 11.769 -12.957 1.00 0.00 C ATOM 1874 NH1 ARG A 128 2.086 12.193 -11.752 1.00 0.00 N ATOM 1875 NH2 ARG A 128 2.190 12.363 -14.045 1.00 0.00 N ATOM 0 H ARG A 128 -0.078 6.076 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 128 2.282 6.658 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.132 7.460 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.154 8.626 -9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.129 9.491 -10.956 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.705 8.395 -12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.601 9.489 -12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.023 10.683 -11.171 1.00 0.00 H new ATOM 0 HE ARG A 128 0.595 10.478 -14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.717 11.738 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.736 12.974 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.901 12.039 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.840 13.144 -13.959 1.00 0.00 H new ATOM 1889 N THR A 129 1.947 8.066 -7.582 1.00 0.00 N ATOM 1890 CA THR A 129 2.677 8.721 -6.508 1.00 0.00 C ATOM 1891 C THR A 129 3.837 7.837 -6.050 1.00 0.00 C ATOM 1892 O THR A 129 4.909 8.326 -5.691 1.00 0.00 O ATOM 1893 CB THR A 129 1.746 9.024 -5.317 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.565 9.691 -5.784 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.443 9.899 -4.284 1.00 0.00 C ATOM 0 H THR A 129 0.988 7.811 -7.344 1.00 0.00 H new ATOM 0 HA THR A 129 3.070 9.665 -6.886 1.00 0.00 H new ATOM 0 HB THR A 129 1.479 8.078 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.033 9.040 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.763 10.096 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.329 9.386 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.737 10.842 -4.745 1.00 0.00 H new ATOM 1903 N TYR A 130 3.608 6.530 -6.094 1.00 0.00 N ATOM 1904 CA TYR A 130 4.625 5.550 -5.750 1.00 0.00 C ATOM 1905 C TYR A 130 5.825 5.655 -6.690 1.00 0.00 C ATOM 1906 O TYR A 130 6.968 5.594 -6.242 1.00 0.00 O ATOM 1907 CB TYR A 130 4.022 4.142 -5.789 1.00 0.00 C ATOM 1908 CG TYR A 130 5.034 3.028 -5.670 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.694 2.780 -4.474 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.325 2.224 -6.762 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.617 1.757 -4.371 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.244 1.202 -6.667 1.00 0.00 C ATOM 1913 CZ TYR A 130 6.889 0.974 -5.472 1.00 0.00 C ATOM 1914 OH TYR A 130 7.810 -0.041 -5.381 1.00 0.00 O ATOM 0 H TYR A 130 2.714 6.123 -6.369 1.00 0.00 H new ATOM 0 HA TYR A 130 4.980 5.753 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.298 4.047 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.474 4.020 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.483 3.395 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.823 2.402 -7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.122 1.572 -3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.457 0.583 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 130 8.061 -0.337 -6.281 1.00 0.00 H new ATOM 1924 N ASN A 131 5.563 5.817 -7.988 1.00 0.00 N ATOM 1925 CA ASN A 131 6.637 6.021 -8.965 1.00 0.00 C ATOM 1926 C ASN A 131 7.477 7.237 -8.592 1.00 0.00 C ATOM 1927 O ASN A 131 8.708 7.192 -8.623 1.00 0.00 O ATOM 1928 CB ASN A 131 6.082 6.218 -10.381 1.00 0.00 C ATOM 1929 CG ASN A 131 5.637 4.931 -11.048 1.00 0.00 C ATOM 1930 OD1 ASN A 131 4.474 4.543 -10.964 1.00 0.00 O ATOM 1931 ND2 ASN A 131 6.561 4.272 -11.734 1.00 0.00 N ATOM 0 H ASN A 131 4.624 5.811 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 131 7.256 5.124 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.237 6.905 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 131 6.846 6.691 -10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 131 6.317 3.408 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 131 7.515 4.629 -11.778 1.00 0.00 H new ATOM 1938 N ILE A 132 6.799 8.321 -8.234 1.00 0.00 N ATOM 1939 CA ILE A 132 7.472 9.559 -7.856 1.00 0.00 C ATOM 1940 C ILE A 132 8.347 9.346 -6.624 1.00 0.00 C ATOM 1941 O ILE A 132 9.544 9.634 -6.644 1.00 0.00 O ATOM 1942 CB ILE A 132 6.455 10.688 -7.575 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.553 10.909 -8.795 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.176 11.978 -7.206 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.450 11.922 -8.569 1.00 0.00 C ATOM 0 H ILE A 132 5.781 8.368 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 132 8.100 9.855 -8.696 1.00 0.00 H new ATOM 0 HB ILE A 132 5.832 10.389 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.167 11.237 -9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.105 9.957 -9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.443 12.761 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.779 11.815 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.822 12.282 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.856 12.022 -9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.810 11.587 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.889 12.887 -8.314 1.00 0.00 H new ATOM 1957 N LEU A 133 7.747 8.809 -5.567 1.00 0.00 N ATOM 1958 CA LEU A 133 8.456 8.571 -4.313 1.00 0.00 C ATOM 1959 C LEU A 133 9.598 7.575 -4.509 1.00 0.00 C ATOM 1960 O LEU A 133 10.624 7.649 -3.828 1.00 0.00 O ATOM 1961 CB LEU A 133 7.483 8.063 -3.248 1.00 0.00 C ATOM 1962 CG LEU A 133 6.357 9.035 -2.888 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.378 8.385 -1.926 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.927 10.307 -2.284 1.00 0.00 C ATOM 0 H LEU A 133 6.766 8.529 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 133 8.886 9.515 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.040 7.130 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.046 7.831 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 133 5.822 9.294 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.585 9.091 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.945 7.499 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.901 8.097 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.113 10.987 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.486 10.062 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.592 10.785 -3.003 1.00 0.00 H new ATOM 1976 N MET A 134 9.410 6.649 -5.446 1.00 0.00 N ATOM 1977 CA MET A 134 10.449 5.694 -5.817 1.00 0.00 C ATOM 1978 C MET A 134 11.683 6.422 -6.331 1.00 0.00 C ATOM 1979 O MET A 134 12.800 6.166 -5.885 1.00 0.00 O ATOM 1980 CB MET A 134 9.936 4.742 -6.902 1.00 0.00 C ATOM 1981 CG MET A 134 11.017 3.840 -7.480 1.00 0.00 C ATOM 1982 SD MET A 134 10.465 2.922 -8.932 1.00 0.00 S ATOM 1983 CE MET A 134 9.090 2.009 -8.249 1.00 0.00 C ATOM 0 H MET A 134 8.539 6.540 -5.966 1.00 0.00 H new ATOM 0 HA MET A 134 10.714 5.120 -4.929 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.142 4.123 -6.485 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.493 5.327 -7.708 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.883 4.445 -7.747 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.343 3.136 -6.714 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.697 1.326 -9.002 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.426 1.440 -7.382 1.00 0.00 H new ATOM 0 HE3 MET A 134 8.307 2.704 -7.946 1.00 0.00 H new ATOM 1993 N ALA A 135 11.465 7.336 -7.270 1.00 0.00 N ATOM 1994 CA ALA A 135 12.552 8.089 -7.879 1.00 0.00 C ATOM 1995 C ALA A 135 13.210 9.020 -6.865 1.00 0.00 C ATOM 1996 O ALA A 135 14.411 9.289 -6.936 1.00 0.00 O ATOM 1997 CB ALA A 135 12.035 8.876 -9.071 1.00 0.00 C ATOM 0 H ALA A 135 10.539 7.573 -7.627 1.00 0.00 H new ATOM 0 HA ALA A 135 13.309 7.384 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.855 9.436 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.618 8.189 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.260 9.568 -8.742 1.00 0.00 H new ATOM 2003 N GLU A 136 12.418 9.508 -5.917 1.00 0.00 N ATOM 2004 CA GLU A 136 12.931 10.368 -4.859 1.00 0.00 C ATOM 2005 C GLU A 136 13.736 9.559 -3.847 1.00 0.00 C ATOM 2006 O GLU A 136 14.592 10.098 -3.144 1.00 0.00 O ATOM 2007 CB GLU A 136 11.788 11.099 -4.157 1.00 0.00 C ATOM 2008 CG GLU A 136 11.001 12.018 -5.074 1.00 0.00 C ATOM 2009 CD GLU A 136 9.955 12.820 -4.332 1.00 0.00 C ATOM 2010 OE1 GLU A 136 8.847 12.299 -4.105 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.242 13.982 -3.970 1.00 0.00 O ATOM 0 H GLU A 136 11.417 9.322 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 136 13.590 11.107 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.110 10.364 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 136 12.194 11.684 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.688 12.699 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.517 11.424 -5.849 1.00 0.00 H new ATOM 2018 N GLY A 137 13.459 8.263 -3.778 1.00 0.00 N ATOM 2019 CA GLY A 137 14.188 7.393 -2.876 1.00 0.00 C ATOM 2020 C GLY A 137 13.594 7.372 -1.482 1.00 0.00 C ATOM 2021 O GLY A 137 14.252 6.966 -0.526 1.00 0.00 O ATOM 0 H GLY A 137 12.740 7.798 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.195 6.381 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.226 7.721 -2.820 1.00 0.00 H new ATOM 2025 N ARG A 138 12.344 7.798 -1.365 1.00 0.00 N ATOM 2026 CA ARG A 138 11.677 7.853 -0.081 1.00 0.00 C ATOM 2027 C ARG A 138 11.113 6.482 0.283 1.00 0.00 C ATOM 2028 O ARG A 138 10.679 5.732 -0.591 1.00 0.00 O ATOM 2029 CB ARG A 138 10.565 8.904 -0.123 1.00 0.00 C ATOM 2030 CG ARG A 138 11.077 10.313 -0.391 1.00 0.00 C ATOM 2031 CD ARG A 138 9.961 11.347 -0.356 1.00 0.00 C ATOM 2032 NE ARG A 138 10.454 12.685 -0.686 1.00 0.00 N ATOM 2033 CZ ARG A 138 9.802 13.820 -0.423 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.624 13.800 0.190 1.00 0.00 N ATOM 2035 NH2 ARG A 138 10.340 14.980 -0.778 1.00 0.00 N ATOM 0 H ARG A 138 11.773 8.111 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 138 12.398 8.136 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.847 8.633 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.029 8.894 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.832 10.571 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.565 10.341 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.179 11.063 -1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.508 11.360 0.635 1.00 0.00 H new ATOM 0 HE ARG A 138 11.360 12.755 -1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.207 12.911 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.136 14.674 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.245 15.000 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.848 15.852 -0.581 1.00 0.00 H new ATOM 2049 N ARG A 139 11.143 6.148 1.571 1.00 0.00 N ATOM 2050 CA ARG A 139 10.622 4.866 2.037 1.00 0.00 C ATOM 2051 C ARG A 139 9.101 4.830 1.941 1.00 0.00 C ATOM 2052 O ARG A 139 8.395 5.288 2.843 1.00 0.00 O ATOM 2053 CB ARG A 139 11.060 4.571 3.476 1.00 0.00 C ATOM 2054 CG ARG A 139 12.467 3.999 3.598 1.00 0.00 C ATOM 2055 CD ARG A 139 12.609 2.695 2.825 1.00 0.00 C ATOM 2056 NE ARG A 139 13.779 1.925 3.246 1.00 0.00 N ATOM 2057 CZ ARG A 139 14.628 1.328 2.410 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.538 1.513 1.102 1.00 0.00 N ATOM 2059 NH2 ARG A 139 15.588 0.553 2.889 1.00 0.00 N ATOM 0 H ARG A 139 11.521 6.744 2.307 1.00 0.00 H new ATOM 0 HA ARG A 139 11.036 4.094 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.003 5.492 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.355 3.869 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.189 4.725 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.701 3.828 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 139 11.711 2.093 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.684 2.913 1.760 1.00 0.00 H new ATOM 0 HE ARG A 139 13.957 1.839 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 139 13.811 2.119 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.195 1.049 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 139 15.677 0.414 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 139 16.239 0.095 2.252 1.00 0.00 H new ATOM 2073 N VAL A 140 8.614 4.303 0.831 1.00 0.00 N ATOM 2074 CA VAL A 140 7.188 4.173 0.597 1.00 0.00 C ATOM 2075 C VAL A 140 6.837 2.735 0.245 1.00 0.00 C ATOM 2076 O VAL A 140 7.571 2.069 -0.483 1.00 0.00 O ATOM 2077 CB VAL A 140 6.717 5.110 -0.543 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.499 4.847 -1.824 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.222 4.962 -0.790 1.00 0.00 C ATOM 0 H VAL A 140 9.195 3.954 0.069 1.00 0.00 H new ATOM 0 HA VAL A 140 6.677 4.459 1.516 1.00 0.00 H new ATOM 0 HB VAL A 140 6.910 6.136 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.149 5.518 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.560 5.021 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.348 3.814 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.918 5.631 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.000 3.932 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.676 5.216 0.119 1.00 0.00 H new ATOM 2089 N VAL A 141 5.740 2.246 0.790 1.00 0.00 N ATOM 2090 CA VAL A 141 5.221 0.945 0.410 1.00 0.00 C ATOM 2091 C VAL A 141 3.831 1.125 -0.175 1.00 0.00 C ATOM 2092 O VAL A 141 3.025 1.886 0.361 1.00 0.00 O ATOM 2093 CB VAL A 141 5.161 -0.032 1.606 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.701 -1.409 1.154 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.515 -0.125 2.292 1.00 0.00 C ATOM 0 H VAL A 141 5.189 2.731 1.499 1.00 0.00 H new ATOM 0 HA VAL A 141 5.897 0.511 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 141 4.437 0.355 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.666 -2.081 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.708 -1.334 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.399 -1.801 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.451 -0.818 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.259 -0.484 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.807 0.860 2.656 1.00 0.00 H new ATOM 2105 N VAL A 142 3.560 0.465 -1.286 1.00 0.00 N ATOM 2106 CA VAL A 142 2.273 0.608 -1.940 1.00 0.00 C ATOM 2107 C VAL A 142 1.508 -0.713 -1.937 1.00 0.00 C ATOM 2108 O VAL A 142 2.045 -1.762 -2.302 1.00 0.00 O ATOM 2109 CB VAL A 142 2.429 1.143 -3.387 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.173 0.154 -4.272 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.074 1.492 -3.982 1.00 0.00 C ATOM 0 H VAL A 142 4.208 -0.170 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 142 1.698 1.339 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 142 3.027 2.053 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.263 0.563 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.167 -0.025 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.622 -0.786 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.208 1.865 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.445 0.602 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.596 2.260 -3.373 1.00 0.00 H new ATOM 2121 N ALA A 143 0.267 -0.657 -1.482 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.610 -1.814 -1.480 1.00 0.00 C ATOM 2123 C ALA A 143 -1.736 -1.600 -2.480 1.00 0.00 C ATOM 2124 O ALA A 143 -2.610 -0.758 -2.272 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.166 -2.061 -0.084 1.00 0.00 C ATOM 0 H ALA A 143 -0.159 0.190 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 143 -0.040 -2.696 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.821 -2.932 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.344 -2.240 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.732 -1.188 0.242 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.704 -2.346 -3.568 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.644 -2.135 -4.656 1.00 0.00 C ATOM 2133 C LEU A 144 -3.596 -3.311 -4.813 1.00 0.00 C ATOM 2134 O LEU A 144 -3.190 -4.474 -4.741 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.890 -1.905 -5.968 1.00 0.00 C ATOM 2136 CG LEU A 144 -1.043 -0.630 -6.022 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.240 -0.579 -7.312 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.927 0.601 -5.902 1.00 0.00 C ATOM 0 H LEU A 144 -1.038 -3.103 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.235 -1.252 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.240 -2.761 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.613 -1.876 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.349 -0.642 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.356 0.333 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.420 -1.445 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.920 -0.589 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -1.309 1.498 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.643 0.616 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.464 0.572 -4.954 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.867 -2.989 -5.011 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.874 -3.986 -5.335 1.00 0.00 C ATOM 2152 C LEU A 145 -6.022 -4.077 -6.850 1.00 0.00 C ATOM 2153 O LEU A 145 -6.089 -3.051 -7.527 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.218 -3.616 -4.698 1.00 0.00 C ATOM 2155 CG LEU A 145 -7.217 -3.517 -3.170 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -8.574 -3.059 -2.663 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.845 -4.853 -2.549 1.00 0.00 C ATOM 0 H LEU A 145 -5.226 -2.036 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.561 -4.952 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.543 -2.659 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.958 -4.358 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 145 -6.471 -2.779 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.553 -2.995 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.806 -2.079 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.337 -3.774 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.850 -4.763 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.568 -5.610 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.850 -5.146 -2.885 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.051 -5.299 -7.403 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.150 -5.513 -8.851 1.00 0.00 C ATOM 2171 C PRO A 146 -7.500 -5.090 -9.420 1.00 0.00 C ATOM 2172 O PRO A 146 -8.437 -5.887 -9.502 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.942 -7.024 -9.021 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.431 -7.509 -7.706 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.982 -6.570 -6.673 1.00 0.00 C ATOM 0 HA PRO A 146 -5.418 -4.911 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.875 -7.521 -9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.231 -7.234 -9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -5.755 -8.532 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.341 -7.512 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.962 -6.888 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -5.333 -6.502 -5.800 1.00 0.00 H new