USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 277 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 23 HIS : no HE2:sc= -15.2! C(o=-15!,f=-13!) USER MOD Set 1.2: A 27 THR OG1 : rot 92:sc= 0.0953 USER MOD Set 2.1: A 25 SER OG : rot 180:sc=-0.00939 USER MOD Set 2.2: A 26 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.071) USER MOD Single : A 13 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.4!) USER MOD Single : A 14 MET CE :methyl -103:sc= -0.686 (180deg=-2.88!) USER MOD Single : A 16 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.9!) USER MOD Single : A 17 GLN : amide:sc= -0.366 K(o=-0.37,f=-2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -127:sc= -7.29! (180deg=-11.9!) USER MOD Single : A 29 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 39:sc= 0.67 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.288 (180deg=0.247) USER MOD Single : A 40 ASN : amide:sc= -0.658 K(o=-0.66,f=-0.0023) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N ARG A 8 -19.325 62.257 27.199 1.00 0.00 N ATOM 134 CA ARG A 8 -18.556 63.292 27.948 1.00 0.00 C ATOM 135 C ARG A 8 -17.402 63.815 27.084 1.00 0.00 C ATOM 136 O ARG A 8 -17.084 64.989 27.106 1.00 0.00 O ATOM 137 CB ARG A 8 -17.992 62.678 29.231 1.00 0.00 C ATOM 138 CG ARG A 8 -18.993 62.872 30.372 1.00 0.00 C ATOM 139 CD ARG A 8 -18.774 61.791 31.432 1.00 0.00 C ATOM 140 NE ARG A 8 -19.085 60.449 30.847 1.00 0.00 N ATOM 141 CZ ARG A 8 -18.711 59.335 31.446 1.00 0.00 C ATOM 142 NH1 ARG A 8 -18.048 59.353 32.579 1.00 0.00 N ATOM 143 NH2 ARG A 8 -19.006 58.189 30.898 1.00 0.00 N ATOM 0 HA ARG A 8 -19.220 64.120 28.197 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.795 61.616 29.083 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.041 63.147 29.484 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.869 63.860 30.814 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.012 62.820 29.989 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.743 61.816 31.785 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.411 61.979 32.296 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.597 60.395 29.966 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.810 60.243 33.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.771 58.477 33.022 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.520 58.162 30.017 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.723 57.320 31.350 1.00 0.00 H new ATOM 157 N ASP A 9 -16.778 62.950 26.326 1.00 0.00 N ATOM 158 CA ASP A 9 -15.646 63.387 25.457 1.00 0.00 C ATOM 159 C ASP A 9 -16.179 64.290 24.343 1.00 0.00 C ATOM 160 O ASP A 9 -15.517 65.215 23.913 1.00 0.00 O ATOM 161 CB ASP A 9 -14.972 62.160 24.840 1.00 0.00 C ATOM 162 CG ASP A 9 -13.530 62.504 24.465 1.00 0.00 C ATOM 163 OD1 ASP A 9 -12.773 62.851 25.357 1.00 0.00 O ATOM 164 OD2 ASP A 9 -13.206 62.415 23.292 1.00 0.00 O ATOM 0 H ASP A 9 -17.005 61.957 26.272 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.920 63.937 26.056 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.987 61.330 25.546 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.521 61.836 23.956 1.00 0.00 H new ATOM 169 N ALA A 10 -17.373 64.025 23.875 1.00 0.00 N ATOM 170 CA ALA A 10 -17.960 64.862 22.789 1.00 0.00 C ATOM 171 C ALA A 10 -18.241 66.267 23.325 1.00 0.00 C ATOM 172 O ALA A 10 -18.179 67.243 22.598 1.00 0.00 O ATOM 173 CB ALA A 10 -19.266 64.229 22.305 1.00 0.00 C ATOM 0 H ALA A 10 -17.967 63.262 24.201 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.258 64.924 21.958 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.695 64.841 21.511 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.066 63.228 21.923 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.970 64.166 23.135 1.00 0.00 H new ATOM 179 N VAL A 11 -18.547 66.376 24.594 1.00 0.00 N ATOM 180 CA VAL A 11 -18.831 67.715 25.185 1.00 0.00 C ATOM 181 C VAL A 11 -17.557 68.558 25.140 1.00 0.00 C ATOM 182 O VAL A 11 -17.558 69.685 24.674 1.00 0.00 O ATOM 183 CB VAL A 11 -19.291 67.550 26.638 1.00 0.00 C ATOM 184 CG1 VAL A 11 -19.660 68.917 27.222 1.00 0.00 C ATOM 185 CG2 VAL A 11 -20.516 66.634 26.683 1.00 0.00 C ATOM 0 H VAL A 11 -18.612 65.593 25.245 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.619 68.209 24.617 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.483 67.112 27.224 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -19.986 68.795 28.255 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -18.790 69.573 27.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.467 69.357 26.636 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.844 66.516 27.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.321 67.074 26.094 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -20.256 65.659 26.271 1.00 0.00 H new ATOM 195 N LEU A 12 -16.470 68.015 25.619 1.00 0.00 N ATOM 196 CA LEU A 12 -15.185 68.768 25.609 1.00 0.00 C ATOM 197 C LEU A 12 -14.755 69.037 24.164 1.00 0.00 C ATOM 198 O LEU A 12 -14.015 69.960 23.899 1.00 0.00 O ATOM 199 CB LEU A 12 -14.107 67.945 26.317 1.00 0.00 C ATOM 200 CG LEU A 12 -13.131 68.886 27.025 1.00 0.00 C ATOM 201 CD1 LEU A 12 -13.717 69.311 28.373 1.00 0.00 C ATOM 202 CD2 LEU A 12 -11.803 68.161 27.255 1.00 0.00 C ATOM 0 H LEU A 12 -16.418 67.078 26.018 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.319 69.717 26.128 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.566 67.269 27.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.574 67.326 25.595 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.964 69.768 26.407 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.021 69.982 28.877 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.664 69.825 28.212 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.884 68.429 28.992 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.106 68.830 27.760 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.972 67.280 27.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.384 67.856 26.296 1.00 0.00 H new ATOM 214 N ASN A 13 -15.209 68.241 23.227 1.00 0.00 N ATOM 215 CA ASN A 13 -14.816 68.458 21.804 1.00 0.00 C ATOM 216 C ASN A 13 -15.338 69.814 21.326 1.00 0.00 C ATOM 217 O ASN A 13 -14.631 70.565 20.686 1.00 0.00 O ATOM 218 CB ASN A 13 -15.408 67.347 20.933 1.00 0.00 C ATOM 219 CG ASN A 13 -14.668 66.032 21.194 1.00 0.00 C ATOM 220 OD1 ASN A 13 -13.587 66.024 21.751 1.00 0.00 O ATOM 221 ND2 ASN A 13 -15.209 64.908 20.809 1.00 0.00 N ATOM 0 H ASN A 13 -15.834 67.451 23.388 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.729 68.441 21.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.469 67.227 21.152 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.328 67.617 19.880 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.725 64.026 20.976 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.116 64.912 20.342 1.00 0.00 H new ATOM 228 N MET A 14 -16.571 70.126 21.623 1.00 0.00 N ATOM 229 CA MET A 14 -17.158 71.416 21.185 1.00 0.00 C ATOM 230 C MET A 14 -16.415 72.590 21.857 1.00 0.00 C ATOM 231 O MET A 14 -16.108 73.582 21.226 1.00 0.00 O ATOM 232 CB MET A 14 -18.640 71.396 21.572 1.00 0.00 C ATOM 233 CG MET A 14 -19.310 70.183 20.910 1.00 0.00 C ATOM 234 SD MET A 14 -19.981 70.662 19.297 1.00 0.00 S ATOM 235 CE MET A 14 -18.516 70.261 18.314 1.00 0.00 C ATOM 0 H MET A 14 -17.202 69.530 22.159 1.00 0.00 H new ATOM 0 HA MET A 14 -17.059 71.550 20.108 1.00 0.00 H new ATOM 0 HB2 MET A 14 -18.746 71.341 22.655 1.00 0.00 H new ATOM 0 HB3 MET A 14 -19.126 72.317 21.251 1.00 0.00 H new ATOM 0 HG2 MET A 14 -18.587 69.377 20.789 1.00 0.00 H new ATOM 0 HG3 MET A 14 -20.108 69.802 21.548 1.00 0.00 H new ATOM 0 HE1 MET A 14 -17.987 71.179 18.058 1.00 0.00 H new ATOM 0 HE2 MET A 14 -17.857 69.612 18.891 1.00 0.00 H new ATOM 0 HE3 MET A 14 -18.820 69.750 17.400 1.00 0.00 H new ATOM 245 N TRP A 15 -16.124 72.483 23.128 1.00 0.00 N ATOM 246 CA TRP A 15 -15.409 73.589 23.852 1.00 0.00 C ATOM 247 C TRP A 15 -13.972 73.758 23.370 1.00 0.00 C ATOM 248 O TRP A 15 -13.368 74.798 23.563 1.00 0.00 O ATOM 249 CB TRP A 15 -15.313 73.231 25.331 1.00 0.00 C ATOM 250 CG TRP A 15 -16.600 73.481 25.994 1.00 0.00 C ATOM 251 CD1 TRP A 15 -17.433 72.522 26.404 1.00 0.00 C ATOM 252 CD2 TRP A 15 -17.203 74.746 26.341 1.00 0.00 C ATOM 253 NE1 TRP A 15 -18.543 73.122 26.980 1.00 0.00 N ATOM 254 CE2 TRP A 15 -18.442 74.505 26.954 1.00 0.00 C ATOM 255 CE3 TRP A 15 -16.796 76.068 26.175 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -19.252 75.559 27.382 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -17.602 77.119 26.612 1.00 0.00 C ATOM 258 CH2 TRP A 15 -18.829 76.861 27.211 1.00 0.00 C ATOM 0 H TRP A 15 -16.351 71.672 23.704 1.00 0.00 H new ATOM 0 HA TRP A 15 -15.972 74.504 23.669 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.035 72.183 25.442 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -14.529 73.821 25.806 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -17.270 71.459 26.304 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -19.333 72.611 27.373 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.848 76.281 25.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.206 75.356 27.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.271 78.139 26.484 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.451 77.679 27.542 1.00 0.00 H new ATOM 269 N GLN A 16 -13.392 72.724 22.840 1.00 0.00 N ATOM 270 CA GLN A 16 -11.957 72.791 22.453 1.00 0.00 C ATOM 271 C GLN A 16 -11.765 73.103 20.961 1.00 0.00 C ATOM 272 O GLN A 16 -10.675 72.966 20.437 1.00 0.00 O ATOM 273 CB GLN A 16 -11.327 71.445 22.813 1.00 0.00 C ATOM 274 CG GLN A 16 -11.594 71.130 24.302 1.00 0.00 C ATOM 275 CD GLN A 16 -10.527 71.806 25.164 1.00 0.00 C ATOM 276 OE1 GLN A 16 -9.400 71.969 24.740 1.00 0.00 O ATOM 277 NE2 GLN A 16 -10.836 72.208 26.366 1.00 0.00 N ATOM 0 H GLN A 16 -13.849 71.831 22.656 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.474 73.607 22.990 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.742 70.658 22.184 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.254 71.472 22.623 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.585 71.483 24.588 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.580 70.052 24.465 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.782 72.071 26.722 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.132 72.659 26.950 1.00 0.00 H new ATOM 286 N GLN A 17 -12.797 73.525 20.274 1.00 0.00 N ATOM 287 CA GLN A 17 -12.656 73.849 18.823 1.00 0.00 C ATOM 288 C GLN A 17 -12.666 75.372 18.606 1.00 0.00 C ATOM 289 O GLN A 17 -12.185 75.862 17.602 1.00 0.00 O ATOM 290 CB GLN A 17 -13.824 73.217 18.076 1.00 0.00 C ATOM 291 CG GLN A 17 -13.807 71.708 18.311 1.00 0.00 C ATOM 292 CD GLN A 17 -13.101 71.013 17.145 1.00 0.00 C ATOM 293 OE1 GLN A 17 -13.160 71.474 16.022 1.00 0.00 O ATOM 294 NE2 GLN A 17 -12.431 69.915 17.365 1.00 0.00 N ATOM 0 H GLN A 17 -13.733 73.659 20.657 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.709 73.458 18.451 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.766 73.641 18.423 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.750 73.433 17.010 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.295 71.482 19.246 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.826 71.334 18.407 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.381 69.528 18.307 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.957 69.444 16.595 1.00 0.00 H new ATOM 303 N GLY A 18 -13.217 76.119 19.531 1.00 0.00 N ATOM 304 CA GLY A 18 -13.270 77.608 19.378 1.00 0.00 C ATOM 305 C GLY A 18 -14.635 78.095 19.863 1.00 0.00 C ATOM 306 O GLY A 18 -14.741 79.007 20.659 1.00 0.00 O ATOM 0 H GLY A 18 -13.635 75.760 20.390 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.473 78.077 19.955 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.116 77.888 18.336 1.00 0.00 H new ATOM 310 N LEU A 19 -15.678 77.469 19.383 1.00 0.00 N ATOM 311 CA LEU A 19 -17.073 77.822 19.783 1.00 0.00 C ATOM 312 C LEU A 19 -17.197 77.925 21.303 1.00 0.00 C ATOM 313 O LEU A 19 -16.259 77.671 22.036 1.00 0.00 O ATOM 314 CB LEU A 19 -18.041 76.781 19.199 1.00 0.00 C ATOM 315 CG LEU A 19 -17.465 75.360 19.303 1.00 0.00 C ATOM 316 CD1 LEU A 19 -18.551 74.399 19.760 1.00 0.00 C ATOM 317 CD2 LEU A 19 -16.949 74.903 17.929 1.00 0.00 C ATOM 0 H LEU A 19 -15.618 76.705 18.710 1.00 0.00 H new ATOM 0 HA LEU A 19 -17.331 78.802 19.382 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.993 76.829 19.728 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.245 77.017 18.155 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.646 75.365 20.022 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.139 73.392 19.833 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.925 74.710 20.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.369 74.405 19.040 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.542 73.895 18.010 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.770 74.906 17.212 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.168 75.583 17.589 1.00 0.00 H new ATOM 329 N GLY A 20 -18.337 78.350 21.769 1.00 0.00 N ATOM 330 CA GLY A 20 -18.516 78.543 23.237 1.00 0.00 C ATOM 331 C GLY A 20 -19.997 78.744 23.603 1.00 0.00 C ATOM 332 O GLY A 20 -20.701 79.495 22.974 1.00 0.00 O ATOM 0 H GLY A 20 -19.153 78.572 21.199 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -18.123 77.677 23.769 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -17.939 79.408 23.564 1.00 0.00 H new ATOM 336 N ALA A 21 -20.433 78.082 24.648 1.00 0.00 N ATOM 337 CA ALA A 21 -21.837 78.200 25.186 1.00 0.00 C ATOM 338 C ALA A 21 -22.903 78.362 24.093 1.00 0.00 C ATOM 339 O ALA A 21 -23.535 77.403 23.703 1.00 0.00 O ATOM 340 CB ALA A 21 -21.890 79.395 26.139 1.00 0.00 C ATOM 0 H ALA A 21 -19.849 77.434 25.177 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.070 77.267 25.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -22.899 79.497 26.539 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -21.189 79.238 26.959 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.620 80.303 25.599 1.00 0.00 H new ATOM 346 N SER A 22 -23.122 79.571 23.612 1.00 0.00 N ATOM 347 CA SER A 22 -24.162 79.808 22.551 1.00 0.00 C ATOM 348 C SER A 22 -23.993 78.779 21.433 1.00 0.00 C ATOM 349 O SER A 22 -24.919 78.070 21.078 1.00 0.00 O ATOM 350 CB SER A 22 -23.992 81.216 21.977 1.00 0.00 C ATOM 351 OG SER A 22 -24.721 82.139 22.775 1.00 0.00 O ATOM 0 H SER A 22 -22.621 80.407 23.912 1.00 0.00 H new ATOM 0 HA SER A 22 -25.156 79.710 22.988 1.00 0.00 H new ATOM 0 HB2 SER A 22 -22.937 81.488 21.958 1.00 0.00 H new ATOM 0 HB3 SER A 22 -24.348 81.247 20.947 1.00 0.00 H new ATOM 0 HG SER A 22 -24.613 83.043 22.411 1.00 0.00 H new ATOM 357 N HIS A 23 -22.801 78.669 20.919 1.00 0.00 N ATOM 358 CA HIS A 23 -22.533 77.662 19.868 1.00 0.00 C ATOM 359 C HIS A 23 -22.375 76.302 20.563 1.00 0.00 C ATOM 360 O HIS A 23 -22.743 75.280 20.022 1.00 0.00 O ATOM 361 CB HIS A 23 -21.255 78.043 19.111 1.00 0.00 C ATOM 362 CG HIS A 23 -20.934 76.999 18.074 1.00 0.00 C ATOM 363 ND1 HIS A 23 -20.775 77.310 16.733 1.00 0.00 N ATOM 364 CD2 HIS A 23 -20.735 75.645 18.172 1.00 0.00 C ATOM 365 CE1 HIS A 23 -20.494 76.166 16.083 1.00 0.00 C ATOM 366 NE2 HIS A 23 -20.457 75.120 16.913 1.00 0.00 N ATOM 0 H HIS A 23 -21.999 79.239 21.186 1.00 0.00 H new ATOM 0 HA HIS A 23 -23.348 77.615 19.146 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -21.383 79.014 18.633 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.424 78.139 19.810 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.856 78.237 16.315 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -20.786 75.073 19.087 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -20.320 76.101 15.019 1.00 0.00 H new ATOM 374 N ILE A 24 -21.866 76.288 21.782 1.00 0.00 N ATOM 375 CA ILE A 24 -21.718 74.983 22.522 1.00 0.00 C ATOM 376 C ILE A 24 -23.097 74.450 22.959 1.00 0.00 C ATOM 377 O ILE A 24 -23.186 73.429 23.609 1.00 0.00 O ATOM 378 CB ILE A 24 -20.837 75.190 23.767 1.00 0.00 C ATOM 379 CG1 ILE A 24 -19.465 75.704 23.332 1.00 0.00 C ATOM 380 CG2 ILE A 24 -20.663 73.875 24.539 1.00 0.00 C ATOM 381 CD1 ILE A 24 -18.656 74.587 22.687 1.00 0.00 C ATOM 0 H ILE A 24 -21.550 77.114 22.291 1.00 0.00 H new ATOM 0 HA ILE A 24 -21.252 74.257 21.855 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.322 75.915 24.420 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -19.585 76.527 22.628 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -18.928 76.098 24.195 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.037 74.047 25.414 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -21.639 73.508 24.857 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -20.190 73.134 23.894 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.682 74.971 22.384 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -18.519 73.777 23.403 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -19.187 74.212 21.812 1.00 0.00 H new ATOM 393 N SER A 25 -24.164 75.128 22.627 1.00 0.00 N ATOM 394 CA SER A 25 -25.515 74.651 23.039 1.00 0.00 C ATOM 395 C SER A 25 -26.300 74.171 21.811 1.00 0.00 C ATOM 396 O SER A 25 -26.606 73.001 21.680 1.00 0.00 O ATOM 397 CB SER A 25 -26.260 75.803 23.734 1.00 0.00 C ATOM 398 OG SER A 25 -27.661 75.707 23.491 1.00 0.00 O ATOM 0 H SER A 25 -24.157 75.993 22.087 1.00 0.00 H new ATOM 0 HA SER A 25 -25.416 73.814 23.730 1.00 0.00 H new ATOM 0 HB2 SER A 25 -26.068 75.774 24.807 1.00 0.00 H new ATOM 0 HB3 SER A 25 -25.886 76.759 23.369 1.00 0.00 H new ATOM 0 HG SER A 25 -28.122 76.445 23.941 1.00 0.00 H new ATOM 404 N LYS A 26 -26.644 75.072 20.929 1.00 0.00 N ATOM 405 CA LYS A 26 -27.432 74.685 19.722 1.00 0.00 C ATOM 406 C LYS A 26 -26.619 73.744 18.828 1.00 0.00 C ATOM 407 O LYS A 26 -27.176 72.966 18.075 1.00 0.00 O ATOM 408 CB LYS A 26 -27.799 75.944 18.931 1.00 0.00 C ATOM 409 CG LYS A 26 -28.854 76.752 19.700 1.00 0.00 C ATOM 410 CD LYS A 26 -28.195 77.966 20.362 1.00 0.00 C ATOM 411 CE LYS A 26 -28.861 78.239 21.712 1.00 0.00 C ATOM 412 NZ LYS A 26 -27.900 78.947 22.606 1.00 0.00 N ATOM 0 H LYS A 26 -26.412 76.063 20.993 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.337 74.169 20.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -26.910 76.553 18.766 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -28.183 75.668 17.949 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.641 77.079 19.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.326 76.125 20.456 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.129 77.783 20.501 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -28.287 78.839 19.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -29.757 78.844 21.572 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.177 77.302 22.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.642 78.326 23.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.045 79.196 22.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.342 79.813 22.974 1.00 0.00 H new ATOM 426 N THR A 27 -25.313 73.821 18.884 1.00 0.00 N ATOM 427 CA THR A 27 -24.475 72.946 18.016 1.00 0.00 C ATOM 428 C THR A 27 -24.127 71.630 18.718 1.00 0.00 C ATOM 429 O THR A 27 -24.056 70.593 18.084 1.00 0.00 O ATOM 430 CB THR A 27 -23.181 73.674 17.660 1.00 0.00 C ATOM 431 OG1 THR A 27 -23.477 75.009 17.276 1.00 0.00 O ATOM 432 CG2 THR A 27 -22.497 72.946 16.507 1.00 0.00 C ATOM 0 H THR A 27 -24.793 74.452 19.494 1.00 0.00 H new ATOM 0 HA THR A 27 -25.046 72.718 17.116 1.00 0.00 H new ATOM 0 HB THR A 27 -22.518 73.689 18.525 1.00 0.00 H new ATOM 0 HG1 THR A 27 -23.425 75.594 18.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.572 73.462 16.249 1.00 0.00 H new ATOM 0 HG22 THR A 27 -22.270 71.923 16.806 1.00 0.00 H new ATOM 0 HG23 THR A 27 -23.159 72.933 15.641 1.00 0.00 H new ATOM 440 N MET A 28 -23.879 71.656 20.007 1.00 0.00 N ATOM 441 CA MET A 28 -23.506 70.417 20.714 1.00 0.00 C ATOM 442 C MET A 28 -24.767 69.730 21.273 1.00 0.00 C ATOM 443 O MET A 28 -25.240 68.760 20.708 1.00 0.00 O ATOM 444 CB MET A 28 -22.513 70.794 21.830 1.00 0.00 C ATOM 445 CG MET A 28 -22.268 69.608 22.751 1.00 0.00 C ATOM 446 SD MET A 28 -21.340 70.159 24.197 1.00 0.00 S ATOM 447 CE MET A 28 -22.682 71.106 24.949 1.00 0.00 C ATOM 0 H MET A 28 -23.922 72.491 20.590 1.00 0.00 H new ATOM 0 HA MET A 28 -23.031 69.706 20.038 1.00 0.00 H new ATOM 0 HB2 MET A 28 -21.571 71.121 21.391 1.00 0.00 H new ATOM 0 HB3 MET A 28 -22.905 71.633 22.405 1.00 0.00 H new ATOM 0 HG2 MET A 28 -23.217 69.170 23.059 1.00 0.00 H new ATOM 0 HG3 MET A 28 -21.714 68.831 22.223 1.00 0.00 H new ATOM 0 HE1 MET A 28 -22.339 72.119 25.160 1.00 0.00 H new ATOM 0 HE2 MET A 28 -23.528 71.145 24.263 1.00 0.00 H new ATOM 0 HE3 MET A 28 -22.990 70.626 25.878 1.00 0.00 H new ATOM 457 N ASN A 29 -25.286 70.181 22.398 1.00 0.00 N ATOM 458 CA ASN A 29 -26.470 69.493 22.987 1.00 0.00 C ATOM 459 C ASN A 29 -27.537 70.471 23.512 1.00 0.00 C ATOM 460 O ASN A 29 -28.674 70.430 23.078 1.00 0.00 O ATOM 461 CB ASN A 29 -25.973 68.637 24.148 1.00 0.00 C ATOM 462 CG ASN A 29 -27.116 67.775 24.692 1.00 0.00 C ATOM 463 OD1 ASN A 29 -28.060 67.480 23.985 1.00 0.00 O ATOM 464 ND2 ASN A 29 -27.071 67.356 25.927 1.00 0.00 N ATOM 0 H ASN A 29 -24.941 70.985 22.922 1.00 0.00 H new ATOM 0 HA ASN A 29 -26.943 68.900 22.204 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -25.153 68.000 23.816 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -25.580 69.276 24.939 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -27.827 66.781 26.298 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -26.279 67.603 26.521 1.00 0.00 H new ATOM 471 N ILE A 30 -27.210 71.303 24.478 1.00 0.00 N ATOM 472 CA ILE A 30 -28.261 72.217 25.055 1.00 0.00 C ATOM 473 C ILE A 30 -27.656 73.478 25.675 1.00 0.00 C ATOM 474 O ILE A 30 -26.465 73.702 25.638 1.00 0.00 O ATOM 475 CB ILE A 30 -29.063 71.473 26.142 1.00 0.00 C ATOM 476 CG1 ILE A 30 -28.170 70.484 26.907 1.00 0.00 C ATOM 477 CG2 ILE A 30 -30.213 70.705 25.489 1.00 0.00 C ATOM 478 CD1 ILE A 30 -27.078 71.252 27.651 1.00 0.00 C ATOM 0 H ILE A 30 -26.280 71.390 24.887 1.00 0.00 H new ATOM 0 HA ILE A 30 -28.909 72.516 24.231 1.00 0.00 H new ATOM 0 HB ILE A 30 -29.451 72.210 26.846 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -28.769 69.908 27.612 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -27.721 69.772 26.214 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -30.781 70.179 26.256 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -30.868 71.404 24.968 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -29.811 69.985 24.777 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -26.445 70.550 28.194 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -26.473 71.809 26.935 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -27.537 71.946 28.355 1.00 0.00 H new ATOM 490 N ALA A 31 -28.519 74.303 26.241 1.00 0.00 N ATOM 491 CA ALA A 31 -28.119 75.599 26.893 1.00 0.00 C ATOM 492 C ALA A 31 -26.755 75.505 27.589 1.00 0.00 C ATOM 493 O ALA A 31 -26.407 74.494 28.159 1.00 0.00 O ATOM 494 CB ALA A 31 -29.193 75.960 27.915 1.00 0.00 C ATOM 0 H ALA A 31 -29.522 74.120 26.277 1.00 0.00 H new ATOM 0 HA ALA A 31 -28.029 76.365 26.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -28.929 76.897 28.405 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -30.153 76.072 27.410 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -29.266 75.169 28.661 1.00 0.00 H new ATOM 500 N ARG A 32 -25.981 76.555 27.510 1.00 0.00 N ATOM 501 CA ARG A 32 -24.623 76.554 28.118 1.00 0.00 C ATOM 502 C ARG A 32 -24.681 76.456 29.642 1.00 0.00 C ATOM 503 O ARG A 32 -23.721 76.052 30.265 1.00 0.00 O ATOM 504 CB ARG A 32 -23.911 77.843 27.717 1.00 0.00 C ATOM 505 CG ARG A 32 -24.712 79.060 28.205 1.00 0.00 C ATOM 506 CD ARG A 32 -23.759 80.115 28.776 1.00 0.00 C ATOM 507 NE ARG A 32 -24.206 81.474 28.339 1.00 0.00 N ATOM 508 CZ ARG A 32 -23.739 82.568 28.908 1.00 0.00 C ATOM 509 NH1 ARG A 32 -22.857 82.515 29.880 1.00 0.00 N ATOM 510 NH2 ARG A 32 -24.163 83.730 28.495 1.00 0.00 N ATOM 0 H ARG A 32 -26.238 77.424 27.043 1.00 0.00 H new ATOM 0 HA ARG A 32 -24.082 75.681 27.754 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.908 77.862 28.144 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.797 77.883 26.634 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -25.286 79.483 27.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -25.428 78.753 28.967 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.744 80.057 29.864 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.742 79.926 28.433 1.00 0.00 H new ATOM 0 HE ARG A 32 -24.887 81.556 27.584 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.517 81.612 30.212 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.512 83.377 30.303 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.847 83.785 27.741 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.810 84.584 28.926 1.00 0.00 H new ATOM 524 N SER A 33 -25.778 76.822 30.248 1.00 0.00 N ATOM 525 CA SER A 33 -25.867 76.735 31.741 1.00 0.00 C ATOM 526 C SER A 33 -25.767 75.259 32.145 1.00 0.00 C ATOM 527 O SER A 33 -24.962 74.872 32.977 1.00 0.00 O ATOM 528 CB SER A 33 -27.201 77.312 32.214 1.00 0.00 C ATOM 529 OG SER A 33 -27.278 77.218 33.630 1.00 0.00 O ATOM 0 H SER A 33 -26.613 77.176 29.781 1.00 0.00 H new ATOM 0 HA SER A 33 -25.058 77.305 32.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 -27.291 78.352 31.902 1.00 0.00 H new ATOM 0 HB3 SER A 33 -28.028 76.769 31.757 1.00 0.00 H new ATOM 0 HG SER A 33 -28.132 77.589 33.937 1.00 0.00 H new ATOM 535 N THR A 34 -26.566 74.430 31.526 1.00 0.00 N ATOM 536 CA THR A 34 -26.525 72.967 31.814 1.00 0.00 C ATOM 537 C THR A 34 -25.154 72.442 31.393 1.00 0.00 C ATOM 538 O THR A 34 -24.542 71.602 32.044 1.00 0.00 O ATOM 539 CB THR A 34 -27.601 72.279 30.974 1.00 0.00 C ATOM 540 OG1 THR A 34 -28.867 72.853 31.268 1.00 0.00 O ATOM 541 CG2 THR A 34 -27.631 70.782 31.286 1.00 0.00 C ATOM 0 H THR A 34 -27.253 74.708 30.825 1.00 0.00 H new ATOM 0 HA THR A 34 -26.698 72.773 32.873 1.00 0.00 H new ATOM 0 HB THR A 34 -27.373 72.416 29.917 1.00 0.00 H new ATOM 0 HG1 THR A 34 -29.558 72.414 30.729 1.00 0.00 H new ATOM 0 HG21 THR A 34 -28.401 70.300 30.683 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.661 70.343 31.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 -27.853 70.635 32.343 1.00 0.00 H new ATOM 549 N VAL A 35 -24.672 72.950 30.294 1.00 0.00 N ATOM 550 CA VAL A 35 -23.351 72.528 29.778 1.00 0.00 C ATOM 551 C VAL A 35 -22.271 72.878 30.799 1.00 0.00 C ATOM 552 O VAL A 35 -21.249 72.247 30.838 1.00 0.00 O ATOM 553 CB VAL A 35 -23.066 73.255 28.460 1.00 0.00 C ATOM 554 CG1 VAL A 35 -21.762 72.732 27.857 1.00 0.00 C ATOM 555 CG2 VAL A 35 -24.215 73.010 27.477 1.00 0.00 C ATOM 0 H VAL A 35 -25.149 73.650 29.726 1.00 0.00 H new ATOM 0 HA VAL A 35 -23.352 71.451 29.607 1.00 0.00 H new ATOM 0 HB VAL A 35 -22.975 74.324 28.652 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -21.561 73.250 26.919 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -20.942 72.910 28.553 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -21.852 71.662 27.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -24.009 73.528 26.540 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -24.309 71.941 27.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -25.145 73.386 27.903 1.00 0.00 H new ATOM 565 N TYR A 36 -22.494 73.878 31.622 1.00 0.00 N ATOM 566 CA TYR A 36 -21.459 74.257 32.637 1.00 0.00 C ATOM 567 C TYR A 36 -21.501 73.309 33.810 1.00 0.00 C ATOM 568 O TYR A 36 -20.501 73.100 34.464 1.00 0.00 O ATOM 569 CB TYR A 36 -21.617 75.717 33.077 1.00 0.00 C ATOM 570 CG TYR A 36 -20.923 76.613 32.067 1.00 0.00 C ATOM 571 CD1 TYR A 36 -19.636 76.297 31.590 1.00 0.00 C ATOM 572 CD2 TYR A 36 -21.582 77.742 31.584 1.00 0.00 C ATOM 573 CE1 TYR A 36 -19.016 77.103 30.642 1.00 0.00 C ATOM 574 CE2 TYR A 36 -20.962 78.561 30.635 1.00 0.00 C ATOM 575 CZ TYR A 36 -19.677 78.243 30.161 1.00 0.00 C ATOM 576 OH TYR A 36 -19.066 79.054 29.227 1.00 0.00 O ATOM 0 H TYR A 36 -23.342 74.444 31.634 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.476 74.172 32.174 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -22.673 75.977 33.148 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -21.186 75.861 34.068 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.126 75.421 31.964 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -22.571 77.984 31.943 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.031 76.853 30.278 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -21.471 79.439 30.266 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.579 78.500 28.581 1.00 0.00 H new ATOM 586 N LYS A 37 -22.612 72.668 34.050 1.00 0.00 N ATOM 587 CA LYS A 37 -22.643 71.654 35.137 1.00 0.00 C ATOM 588 C LYS A 37 -21.609 70.581 34.763 1.00 0.00 C ATOM 589 O LYS A 37 -20.894 70.048 35.590 1.00 0.00 O ATOM 590 CB LYS A 37 -24.024 71.019 35.203 1.00 0.00 C ATOM 591 CG LYS A 37 -24.951 71.881 36.066 1.00 0.00 C ATOM 592 CD LYS A 37 -25.777 72.804 35.169 1.00 0.00 C ATOM 593 CE LYS A 37 -26.155 74.069 35.942 1.00 0.00 C ATOM 594 NZ LYS A 37 -24.985 74.992 35.990 1.00 0.00 N ATOM 0 H LYS A 37 -23.489 72.801 33.546 1.00 0.00 H new ATOM 0 HA LYS A 37 -22.421 72.105 36.104 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.436 70.918 34.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -23.953 70.015 35.621 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -25.611 71.245 36.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -24.364 72.471 36.770 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -25.207 73.067 34.278 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.677 72.290 34.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -27.001 74.562 35.462 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.469 73.810 36.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.286 75.915 36.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -24.252 74.591 36.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -24.600 75.115 35.032 1.00 0.00 H new ATOM 608 N VAL A 38 -21.544 70.286 33.487 1.00 0.00 N ATOM 609 CA VAL A 38 -20.590 69.273 32.957 1.00 0.00 C ATOM 610 C VAL A 38 -19.140 69.840 32.884 1.00 0.00 C ATOM 611 O VAL A 38 -18.201 69.244 33.373 1.00 0.00 O ATOM 612 CB VAL A 38 -21.117 68.884 31.552 1.00 0.00 C ATOM 613 CG1 VAL A 38 -19.998 68.474 30.579 1.00 0.00 C ATOM 614 CG2 VAL A 38 -22.102 67.730 31.709 1.00 0.00 C ATOM 0 H VAL A 38 -22.131 70.720 32.775 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.535 68.403 33.612 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.597 69.763 31.123 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -20.432 68.214 29.614 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.304 69.305 30.452 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.464 67.613 30.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -22.484 67.442 30.730 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -21.596 66.879 32.166 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -22.931 68.043 32.344 1.00 0.00 H new ATOM 624 N ILE A 39 -18.972 70.961 32.237 1.00 0.00 N ATOM 625 CA ILE A 39 -17.620 71.591 32.051 1.00 0.00 C ATOM 626 C ILE A 39 -16.926 71.755 33.399 1.00 0.00 C ATOM 627 O ILE A 39 -15.717 71.680 33.506 1.00 0.00 O ATOM 628 CB ILE A 39 -17.816 72.944 31.364 1.00 0.00 C ATOM 629 CG1 ILE A 39 -18.545 72.730 30.051 1.00 0.00 C ATOM 630 CG2 ILE A 39 -16.491 73.635 31.040 1.00 0.00 C ATOM 631 CD1 ILE A 39 -19.385 73.944 29.758 1.00 0.00 C ATOM 0 H ILE A 39 -19.737 71.487 31.814 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.986 70.956 31.432 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.380 73.573 32.053 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.830 72.563 29.245 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.174 71.841 30.109 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.688 74.590 30.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.934 73.805 31.962 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.904 73.003 30.373 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.914 73.802 28.816 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.107 74.089 30.561 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.743 74.822 29.684 1.00 0.00 H new ATOM 643 N ASN A 40 -17.697 71.950 34.426 1.00 0.00 N ATOM 644 CA ASN A 40 -17.126 72.090 35.791 1.00 0.00 C ATOM 645 C ASN A 40 -16.712 70.705 36.280 1.00 0.00 C ATOM 646 O ASN A 40 -15.662 70.525 36.867 1.00 0.00 O ATOM 647 CB ASN A 40 -18.193 72.647 36.728 1.00 0.00 C ATOM 648 CG ASN A 40 -18.256 74.170 36.594 1.00 0.00 C ATOM 649 OD1 ASN A 40 -18.146 74.882 37.572 1.00 0.00 O ATOM 650 ND2 ASN A 40 -18.427 74.705 35.416 1.00 0.00 N ATOM 0 H ASN A 40 -18.714 72.020 34.378 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.268 72.762 35.774 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.163 72.211 36.489 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -17.965 72.372 37.758 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -18.468 75.719 35.318 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.520 74.109 34.594 1.00 0.00 H new ATOM 657 N GLU A 41 -17.544 69.724 36.036 1.00 0.00 N ATOM 658 CA GLU A 41 -17.225 68.334 36.474 1.00 0.00 C ATOM 659 C GLU A 41 -15.940 67.850 35.790 1.00 0.00 C ATOM 660 O GLU A 41 -15.273 66.963 36.280 1.00 0.00 O ATOM 661 CB GLU A 41 -18.381 67.405 36.100 1.00 0.00 C ATOM 662 CG GLU A 41 -19.580 67.693 37.006 1.00 0.00 C ATOM 663 CD GLU A 41 -20.859 67.187 36.338 1.00 0.00 C ATOM 664 OE1 GLU A 41 -20.802 66.142 35.710 1.00 0.00 O ATOM 665 OE2 GLU A 41 -21.873 67.852 36.465 1.00 0.00 O ATOM 0 H GLU A 41 -18.435 69.828 35.550 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.080 68.324 37.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.657 67.552 35.056 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.074 66.364 36.205 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.445 67.206 37.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.656 68.763 37.197 1.00 0.00 H new ATOM 672 N SER A 42 -15.594 68.428 34.660 1.00 0.00 N ATOM 673 CA SER A 42 -14.356 68.018 33.918 1.00 0.00 C ATOM 674 C SER A 42 -14.579 66.652 33.255 1.00 0.00 C ATOM 675 O SER A 42 -14.902 66.575 32.084 1.00 0.00 O ATOM 676 CB SER A 42 -13.144 67.963 34.867 1.00 0.00 C ATOM 677 OG SER A 42 -12.193 68.939 34.463 1.00 0.00 O ATOM 0 H SER A 42 -16.125 69.177 34.215 1.00 0.00 H new ATOM 0 HA SER A 42 -14.147 68.760 33.147 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.461 68.149 35.893 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.695 66.970 34.847 1.00 0.00 H new ATOM 0 HG SER A 42 -11.420 68.911 35.064 1.00 0.00 H new