USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=11 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= -6.86! C(o=-15!,f=-23!) USER MOD Set 1.2: A 28 MET CE :methyl -140:sc= -8.36! (180deg=-9.35!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 134:sc= -1.03 (180deg=-4.93!) USER MOD Single : A 16 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.035) USER MOD Single : A 17 GLN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 68:sc= -0.127 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -1.08 (180deg=-1.52) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.01! C(o=-4!,f=-7.9!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0332 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc=-0.00477 X(o=-0.0048,f=-0.31) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N ARG A 8 -22.611 63.092 28.401 1.00 0.00 N ATOM 134 CA ARG A 8 -21.207 62.672 28.731 1.00 0.00 C ATOM 135 C ARG A 8 -20.287 62.890 27.518 1.00 0.00 C ATOM 136 O ARG A 8 -19.570 63.871 27.456 1.00 0.00 O ATOM 137 CB ARG A 8 -21.165 61.200 29.183 1.00 0.00 C ATOM 138 CG ARG A 8 -22.230 60.967 30.256 1.00 0.00 C ATOM 139 CD ARG A 8 -21.884 59.708 31.054 1.00 0.00 C ATOM 140 NE ARG A 8 -22.376 59.857 32.458 1.00 0.00 N ATOM 141 CZ ARG A 8 -22.464 58.821 33.270 1.00 0.00 C ATOM 142 NH1 ARG A 8 -22.125 57.613 32.882 1.00 0.00 N ATOM 143 NH2 ARG A 8 -22.898 59.001 34.487 1.00 0.00 N ATOM 0 HA ARG A 8 -20.850 63.289 29.556 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.340 60.542 28.332 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.178 60.957 29.576 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.285 61.828 30.922 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.211 60.859 29.793 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.339 58.833 30.589 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.806 59.547 31.050 1.00 0.00 H new ATOM 0 HE ARG A 8 -22.650 60.780 32.795 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.784 57.459 31.933 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.202 56.829 33.530 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.164 59.934 34.801 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.971 58.208 35.125 1.00 0.00 H new ATOM 157 N ASP A 9 -20.291 61.994 26.557 1.00 0.00 N ATOM 158 CA ASP A 9 -19.411 62.164 25.360 1.00 0.00 C ATOM 159 C ASP A 9 -19.740 63.480 24.645 1.00 0.00 C ATOM 160 O ASP A 9 -18.916 64.031 23.940 1.00 0.00 O ATOM 161 CB ASP A 9 -19.634 60.995 24.398 1.00 0.00 C ATOM 162 CG ASP A 9 -18.658 59.865 24.732 1.00 0.00 C ATOM 163 OD1 ASP A 9 -17.477 60.034 24.475 1.00 0.00 O ATOM 164 OD2 ASP A 9 -19.107 58.851 25.238 1.00 0.00 O ATOM 0 H ASP A 9 -20.867 61.152 26.552 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.370 62.185 25.683 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.661 60.638 24.475 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.488 61.324 23.369 1.00 0.00 H new ATOM 169 N ALA A 10 -20.937 63.986 24.821 1.00 0.00 N ATOM 170 CA ALA A 10 -21.319 65.265 24.152 1.00 0.00 C ATOM 171 C ALA A 10 -20.465 66.409 24.705 1.00 0.00 C ATOM 172 O ALA A 10 -19.911 67.197 23.960 1.00 0.00 O ATOM 173 CB ALA A 10 -22.797 65.558 24.420 1.00 0.00 C ATOM 0 H ALA A 10 -21.665 63.567 25.400 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.153 65.175 23.078 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.077 66.492 23.932 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.406 64.745 24.025 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -22.962 65.646 25.494 1.00 0.00 H new ATOM 179 N VAL A 11 -20.346 66.497 26.006 1.00 0.00 N ATOM 180 CA VAL A 11 -19.525 67.580 26.619 1.00 0.00 C ATOM 181 C VAL A 11 -18.068 67.377 26.207 1.00 0.00 C ATOM 182 O VAL A 11 -17.458 68.240 25.615 1.00 0.00 O ATOM 183 CB VAL A 11 -19.667 67.509 28.155 1.00 0.00 C ATOM 184 CG1 VAL A 11 -18.725 68.510 28.855 1.00 0.00 C ATOM 185 CG2 VAL A 11 -21.112 67.838 28.539 1.00 0.00 C ATOM 0 H VAL A 11 -20.785 65.861 26.671 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.862 68.560 26.279 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.400 66.502 28.476 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.851 68.434 29.935 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.692 68.282 28.593 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -18.966 69.523 28.532 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -21.220 67.790 29.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.361 68.841 28.194 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.785 67.117 28.075 1.00 0.00 H new ATOM 195 N LEU A 12 -17.517 66.235 26.519 1.00 0.00 N ATOM 196 CA LEU A 12 -16.090 65.945 26.170 1.00 0.00 C ATOM 197 C LEU A 12 -15.834 66.173 24.677 1.00 0.00 C ATOM 198 O LEU A 12 -14.713 66.397 24.264 1.00 0.00 O ATOM 199 CB LEU A 12 -15.776 64.488 26.523 1.00 0.00 C ATOM 200 CG LEU A 12 -14.277 64.224 26.341 1.00 0.00 C ATOM 201 CD1 LEU A 12 -13.776 63.315 27.466 1.00 0.00 C ATOM 202 CD2 LEU A 12 -14.036 63.539 24.993 1.00 0.00 C ATOM 0 H LEU A 12 -17.998 65.480 27.007 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.447 66.619 26.736 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.069 64.282 27.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.353 63.817 25.887 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.739 65.172 26.370 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.710 63.128 27.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.944 63.800 28.428 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.316 62.369 27.437 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.970 63.352 24.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.576 62.593 24.964 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.390 64.184 24.189 1.00 0.00 H new ATOM 214 N ASN A 13 -16.857 66.110 23.868 1.00 0.00 N ATOM 215 CA ASN A 13 -16.668 66.314 22.399 1.00 0.00 C ATOM 216 C ASN A 13 -16.388 67.792 22.096 1.00 0.00 C ATOM 217 O ASN A 13 -15.583 68.114 21.244 1.00 0.00 O ATOM 218 CB ASN A 13 -17.935 65.877 21.661 1.00 0.00 C ATOM 219 CG ASN A 13 -17.675 65.883 20.153 1.00 0.00 C ATOM 220 OD1 ASN A 13 -18.194 66.718 19.439 1.00 0.00 O ATOM 221 ND2 ASN A 13 -16.889 64.979 19.635 1.00 0.00 N ATOM 0 H ASN A 13 -17.817 65.926 24.159 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.818 65.718 22.066 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.232 64.880 21.986 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -18.759 66.549 21.901 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.710 64.973 18.631 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.453 64.278 20.234 1.00 0.00 H new ATOM 228 N MET A 14 -17.068 68.687 22.765 1.00 0.00 N ATOM 229 CA MET A 14 -16.883 70.136 22.512 1.00 0.00 C ATOM 230 C MET A 14 -15.491 70.616 22.952 1.00 0.00 C ATOM 231 O MET A 14 -14.838 71.365 22.252 1.00 0.00 O ATOM 232 CB MET A 14 -17.943 70.900 23.307 1.00 0.00 C ATOM 233 CG MET A 14 -19.343 70.271 23.152 1.00 0.00 C ATOM 234 SD MET A 14 -19.741 69.951 21.407 1.00 0.00 S ATOM 235 CE MET A 14 -21.082 68.771 21.694 1.00 0.00 C ATOM 0 H MET A 14 -17.754 68.465 23.487 1.00 0.00 H new ATOM 0 HA MET A 14 -16.979 70.317 21.442 1.00 0.00 H new ATOM 0 HB2 MET A 14 -17.666 70.914 24.361 1.00 0.00 H new ATOM 0 HB3 MET A 14 -17.972 71.937 22.971 1.00 0.00 H new ATOM 0 HG2 MET A 14 -19.388 69.338 23.713 1.00 0.00 H new ATOM 0 HG3 MET A 14 -20.092 70.937 23.581 1.00 0.00 H new ATOM 0 HE1 MET A 14 -21.930 69.021 21.056 1.00 0.00 H new ATOM 0 HE2 MET A 14 -20.737 67.764 21.460 1.00 0.00 H new ATOM 0 HE3 MET A 14 -21.389 68.816 22.739 1.00 0.00 H new ATOM 245 N TRP A 15 -15.048 70.223 24.120 1.00 0.00 N ATOM 246 CA TRP A 15 -13.718 70.690 24.624 1.00 0.00 C ATOM 247 C TRP A 15 -12.584 70.047 23.824 1.00 0.00 C ATOM 248 O TRP A 15 -11.507 70.603 23.708 1.00 0.00 O ATOM 249 CB TRP A 15 -13.579 70.306 26.098 1.00 0.00 C ATOM 250 CG TRP A 15 -14.752 70.804 26.849 1.00 0.00 C ATOM 251 CD1 TRP A 15 -15.833 70.061 27.131 1.00 0.00 C ATOM 252 CD2 TRP A 15 -14.989 72.113 27.428 1.00 0.00 C ATOM 253 NE1 TRP A 15 -16.748 70.842 27.793 1.00 0.00 N ATOM 254 CE2 TRP A 15 -16.275 72.107 28.002 1.00 0.00 C ATOM 255 CE3 TRP A 15 -14.242 73.302 27.498 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -16.803 73.222 28.612 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -14.773 74.428 28.133 1.00 0.00 C ATOM 258 CH2 TRP A 15 -16.053 74.385 28.685 1.00 0.00 C ATOM 0 H TRP A 15 -15.551 69.597 24.749 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.656 71.772 24.510 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.503 69.223 26.197 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -12.663 70.729 26.510 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -15.962 69.019 26.879 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.668 70.518 28.092 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -13.256 73.345 27.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.798 73.191 29.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.190 75.335 28.196 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.460 75.260 29.170 1.00 0.00 H new ATOM 269 N GLN A 16 -12.811 68.880 23.283 1.00 0.00 N ATOM 270 CA GLN A 16 -11.742 68.193 22.501 1.00 0.00 C ATOM 271 C GLN A 16 -11.689 68.742 21.069 1.00 0.00 C ATOM 272 O GLN A 16 -10.701 68.576 20.377 1.00 0.00 O ATOM 273 CB GLN A 16 -12.035 66.694 22.470 1.00 0.00 C ATOM 274 CG GLN A 16 -12.016 66.149 23.900 1.00 0.00 C ATOM 275 CD GLN A 16 -10.568 65.998 24.370 1.00 0.00 C ATOM 276 OE1 GLN A 16 -9.888 65.066 23.990 1.00 0.00 O ATOM 277 NE2 GLN A 16 -10.064 66.882 25.187 1.00 0.00 N ATOM 0 H GLN A 16 -13.693 68.372 23.349 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.777 68.373 22.975 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.006 66.510 22.011 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.292 66.178 21.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.557 66.823 24.564 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.525 65.186 23.940 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.634 67.665 25.506 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.100 66.790 25.506 1.00 0.00 H new ATOM 286 N GLN A 17 -12.735 69.391 20.616 1.00 0.00 N ATOM 287 CA GLN A 17 -12.735 69.944 19.230 1.00 0.00 C ATOM 288 C GLN A 17 -12.069 71.324 19.225 1.00 0.00 C ATOM 289 O GLN A 17 -11.453 71.719 18.252 1.00 0.00 O ATOM 290 CB GLN A 17 -14.176 70.070 18.734 1.00 0.00 C ATOM 291 CG GLN A 17 -14.815 68.682 18.665 1.00 0.00 C ATOM 292 CD GLN A 17 -14.645 68.111 17.255 1.00 0.00 C ATOM 293 OE1 GLN A 17 -13.954 67.130 17.064 1.00 0.00 O ATOM 294 NE2 GLN A 17 -15.251 68.688 16.254 1.00 0.00 N ATOM 0 H GLN A 17 -13.588 69.560 21.149 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.180 69.275 18.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.748 70.712 19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.194 70.539 17.750 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.351 68.020 19.395 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.873 68.744 18.918 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.831 69.511 16.415 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.145 68.316 15.310 1.00 0.00 H new ATOM 303 N GLY A 18 -12.189 72.058 20.303 1.00 0.00 N ATOM 304 CA GLY A 18 -11.565 73.415 20.366 1.00 0.00 C ATOM 305 C GLY A 18 -12.604 74.472 20.777 1.00 0.00 C ATOM 306 O GLY A 18 -12.285 75.641 20.895 1.00 0.00 O ATOM 0 H GLY A 18 -12.693 71.775 21.143 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.742 73.410 21.081 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.142 73.672 19.395 1.00 0.00 H new ATOM 310 N LEU A 19 -13.838 74.080 20.996 1.00 0.00 N ATOM 311 CA LEU A 19 -14.885 75.067 21.399 1.00 0.00 C ATOM 312 C LEU A 19 -14.518 75.695 22.737 1.00 0.00 C ATOM 313 O LEU A 19 -13.464 75.438 23.288 1.00 0.00 O ATOM 314 CB LEU A 19 -16.245 74.357 21.520 1.00 0.00 C ATOM 315 CG LEU A 19 -16.862 73.933 20.157 1.00 0.00 C ATOM 316 CD1 LEU A 19 -16.287 74.719 18.967 1.00 0.00 C ATOM 317 CD2 LEU A 19 -16.641 72.433 19.938 1.00 0.00 C ATOM 0 H LEU A 19 -14.163 73.117 20.912 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.949 75.848 20.642 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.126 73.471 22.144 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.944 75.018 22.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.927 74.160 20.204 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.757 74.378 18.045 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.485 75.782 19.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.211 74.555 18.908 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.074 72.137 18.982 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.572 72.220 19.934 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.120 71.874 20.742 1.00 0.00 H new ATOM 329 N GLY A 20 -15.381 76.532 23.255 1.00 0.00 N ATOM 330 CA GLY A 20 -15.085 77.202 24.557 1.00 0.00 C ATOM 331 C GLY A 20 -16.376 77.622 25.273 1.00 0.00 C ATOM 332 O GLY A 20 -17.149 78.387 24.746 1.00 0.00 O ATOM 0 H GLY A 20 -16.276 76.780 22.833 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.516 76.526 25.195 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.461 78.079 24.384 1.00 0.00 H new ATOM 336 N ALA A 21 -16.571 77.120 26.485 1.00 0.00 N ATOM 337 CA ALA A 21 -17.762 77.446 27.364 1.00 0.00 C ATOM 338 C ALA A 21 -18.971 77.997 26.598 1.00 0.00 C ATOM 339 O ALA A 21 -19.900 77.282 26.332 1.00 0.00 O ATOM 340 CB ALA A 21 -17.325 78.467 28.423 1.00 0.00 C ATOM 0 H ALA A 21 -15.920 76.466 26.919 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.089 76.509 27.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.172 78.712 29.064 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -16.523 78.043 29.028 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.969 79.372 27.931 1.00 0.00 H new ATOM 346 N SER A 22 -18.965 79.271 26.265 1.00 0.00 N ATOM 347 CA SER A 22 -20.122 79.896 25.530 1.00 0.00 C ATOM 348 C SER A 22 -20.600 78.994 24.383 1.00 0.00 C ATOM 349 O SER A 22 -21.736 78.563 24.359 1.00 0.00 O ATOM 350 CB SER A 22 -19.684 81.245 24.959 1.00 0.00 C ATOM 351 OG SER A 22 -20.823 81.936 24.462 1.00 0.00 O ATOM 0 H SER A 22 -18.200 79.912 26.473 1.00 0.00 H new ATOM 0 HA SER A 22 -20.946 80.029 26.231 1.00 0.00 H new ATOM 0 HB2 SER A 22 -19.193 81.838 25.731 1.00 0.00 H new ATOM 0 HB3 SER A 22 -18.957 81.096 24.160 1.00 0.00 H new ATOM 0 HG SER A 22 -20.546 82.802 24.097 1.00 0.00 H new ATOM 357 N HIS A 23 -19.741 78.702 23.445 1.00 0.00 N ATOM 358 CA HIS A 23 -20.136 77.822 22.311 1.00 0.00 C ATOM 359 C HIS A 23 -20.388 76.400 22.837 1.00 0.00 C ATOM 360 O HIS A 23 -21.318 75.733 22.425 1.00 0.00 O ATOM 361 CB HIS A 23 -19.008 77.802 21.275 1.00 0.00 C ATOM 362 CG HIS A 23 -19.418 76.970 20.092 1.00 0.00 C ATOM 363 ND1 HIS A 23 -19.450 77.479 18.804 1.00 0.00 N ATOM 364 CD2 HIS A 23 -19.811 75.660 19.991 1.00 0.00 C ATOM 365 CE1 HIS A 23 -19.850 76.487 17.987 1.00 0.00 C ATOM 366 NE2 HIS A 23 -20.083 75.357 18.659 1.00 0.00 N ATOM 0 H HIS A 23 -18.778 79.037 23.416 1.00 0.00 H new ATOM 0 HA HIS A 23 -21.047 78.199 21.846 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -18.778 78.818 20.954 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.100 77.395 21.720 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.214 78.431 18.526 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.896 74.970 20.817 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -19.968 76.592 16.919 1.00 0.00 H new ATOM 374 N ILE A 24 -19.567 75.941 23.751 1.00 0.00 N ATOM 375 CA ILE A 24 -19.746 74.555 24.316 1.00 0.00 C ATOM 376 C ILE A 24 -21.008 74.472 25.180 1.00 0.00 C ATOM 377 O ILE A 24 -21.380 73.405 25.630 1.00 0.00 O ATOM 378 CB ILE A 24 -18.542 74.214 25.193 1.00 0.00 C ATOM 379 CG1 ILE A 24 -17.277 74.392 24.386 1.00 0.00 C ATOM 380 CG2 ILE A 24 -18.610 72.758 25.680 1.00 0.00 C ATOM 381 CD1 ILE A 24 -16.102 74.284 25.326 1.00 0.00 C ATOM 0 H ILE A 24 -18.779 76.463 24.134 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.836 73.856 23.485 1.00 0.00 H new ATOM 0 HB ILE A 24 -18.547 74.877 26.058 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -17.212 73.632 23.607 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.277 75.361 23.887 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -17.741 72.541 26.302 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.519 72.611 26.263 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -18.618 72.087 24.821 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.175 74.409 24.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.173 75.060 26.088 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.107 73.304 25.804 1.00 0.00 H new ATOM 393 N SER A 25 -21.644 75.581 25.442 1.00 0.00 N ATOM 394 CA SER A 25 -22.858 75.563 26.307 1.00 0.00 C ATOM 395 C SER A 25 -24.113 75.950 25.513 1.00 0.00 C ATOM 396 O SER A 25 -24.961 75.125 25.242 1.00 0.00 O ATOM 397 CB SER A 25 -22.663 76.547 27.460 1.00 0.00 C ATOM 398 OG SER A 25 -21.395 76.327 28.057 1.00 0.00 O ATOM 0 H SER A 25 -21.375 76.501 25.094 1.00 0.00 H new ATOM 0 HA SER A 25 -22.996 74.552 26.689 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.732 77.571 27.094 1.00 0.00 H new ATOM 0 HB3 SER A 25 -23.453 76.419 28.200 1.00 0.00 H new ATOM 0 HG SER A 25 -20.688 76.577 27.425 1.00 0.00 H new ATOM 404 N LYS A 26 -24.252 77.199 25.150 1.00 0.00 N ATOM 405 CA LYS A 26 -25.465 77.634 24.397 1.00 0.00 C ATOM 406 C LYS A 26 -25.613 76.818 23.114 1.00 0.00 C ATOM 407 O LYS A 26 -26.710 76.472 22.714 1.00 0.00 O ATOM 408 CB LYS A 26 -25.341 79.116 24.041 1.00 0.00 C ATOM 409 CG LYS A 26 -25.718 79.974 25.255 1.00 0.00 C ATOM 410 CD LYS A 26 -24.448 80.492 25.936 1.00 0.00 C ATOM 411 CE LYS A 26 -24.679 80.583 27.446 1.00 0.00 C ATOM 412 NZ LYS A 26 -23.373 80.466 28.155 1.00 0.00 N ATOM 0 H LYS A 26 -23.576 77.938 25.343 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.343 77.476 25.023 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.321 79.340 23.728 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.992 79.353 23.200 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -26.341 80.811 24.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -26.306 79.386 25.960 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.612 79.825 25.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -24.183 81.472 25.538 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.157 81.530 27.695 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.354 79.791 27.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.509 80.662 29.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.999 79.503 28.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.699 81.151 27.757 1.00 0.00 H new ATOM 426 N THR A 27 -24.521 76.527 22.457 1.00 0.00 N ATOM 427 CA THR A 27 -24.601 75.756 21.187 1.00 0.00 C ATOM 428 C THR A 27 -24.438 74.246 21.420 1.00 0.00 C ATOM 429 O THR A 27 -24.909 73.449 20.629 1.00 0.00 O ATOM 430 CB THR A 27 -23.509 76.244 20.240 1.00 0.00 C ATOM 431 OG1 THR A 27 -23.518 77.664 20.195 1.00 0.00 O ATOM 432 CG2 THR A 27 -23.777 75.683 18.852 1.00 0.00 C ATOM 0 H THR A 27 -23.579 76.791 22.747 1.00 0.00 H new ATOM 0 HA THR A 27 -25.588 75.919 20.754 1.00 0.00 H new ATOM 0 HB THR A 27 -22.534 75.907 20.591 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.815 77.977 19.588 1.00 0.00 H new ATOM 0 HG21 THR A 27 -23.003 76.025 18.166 1.00 0.00 H new ATOM 0 HG22 THR A 27 -23.771 74.594 18.892 1.00 0.00 H new ATOM 0 HG23 THR A 27 -24.750 76.028 18.502 1.00 0.00 H new ATOM 440 N MET A 28 -23.747 73.840 22.461 1.00 0.00 N ATOM 441 CA MET A 28 -23.532 72.369 22.682 1.00 0.00 C ATOM 442 C MET A 28 -24.155 71.886 24.005 1.00 0.00 C ATOM 443 O MET A 28 -24.753 70.826 24.042 1.00 0.00 O ATOM 444 CB MET A 28 -22.020 72.072 22.659 1.00 0.00 C ATOM 445 CG MET A 28 -21.406 72.671 21.389 1.00 0.00 C ATOM 446 SD MET A 28 -22.074 71.826 19.930 1.00 0.00 S ATOM 447 CE MET A 28 -21.978 73.235 18.806 1.00 0.00 C ATOM 0 H MET A 28 -23.327 74.453 23.160 1.00 0.00 H new ATOM 0 HA MET A 28 -24.031 71.825 21.880 1.00 0.00 H new ATOM 0 HB2 MET A 28 -21.541 72.494 23.542 1.00 0.00 H new ATOM 0 HB3 MET A 28 -21.849 70.996 22.687 1.00 0.00 H new ATOM 0 HG2 MET A 28 -21.625 73.737 21.336 1.00 0.00 H new ATOM 0 HG3 MET A 28 -20.321 72.569 21.415 1.00 0.00 H new ATOM 0 HE1 MET A 28 -22.866 73.258 18.175 1.00 0.00 H new ATOM 0 HE2 MET A 28 -21.919 74.158 19.383 1.00 0.00 H new ATOM 0 HE3 MET A 28 -21.090 73.141 18.180 1.00 0.00 H new ATOM 457 N ASN A 29 -24.016 72.621 25.087 1.00 0.00 N ATOM 458 CA ASN A 29 -24.603 72.147 26.386 1.00 0.00 C ATOM 459 C ASN A 29 -25.651 73.146 26.932 1.00 0.00 C ATOM 460 O ASN A 29 -26.805 73.069 26.576 1.00 0.00 O ATOM 461 CB ASN A 29 -23.478 71.933 27.400 1.00 0.00 C ATOM 462 CG ASN A 29 -22.848 70.556 27.180 1.00 0.00 C ATOM 463 OD1 ASN A 29 -23.121 69.626 27.913 1.00 0.00 O ATOM 464 ND2 ASN A 29 -22.012 70.385 26.193 1.00 0.00 N ATOM 0 H ASN A 29 -23.529 73.516 25.128 1.00 0.00 H new ATOM 0 HA ASN A 29 -25.119 71.203 26.212 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -22.723 72.712 27.291 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -23.869 72.008 28.415 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.588 69.471 26.037 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.783 71.166 25.578 1.00 0.00 H new ATOM 471 N ILE A 30 -25.261 74.072 27.792 1.00 0.00 N ATOM 472 CA ILE A 30 -26.239 75.066 28.372 1.00 0.00 C ATOM 473 C ILE A 30 -25.525 75.933 29.423 1.00 0.00 C ATOM 474 O ILE A 30 -25.135 75.448 30.465 1.00 0.00 O ATOM 475 CB ILE A 30 -27.438 74.380 29.077 1.00 0.00 C ATOM 476 CG1 ILE A 30 -27.070 72.978 29.620 1.00 0.00 C ATOM 477 CG2 ILE A 30 -28.625 74.270 28.113 1.00 0.00 C ATOM 478 CD1 ILE A 30 -27.184 72.981 31.147 1.00 0.00 C ATOM 0 H ILE A 30 -24.301 74.182 28.118 1.00 0.00 H new ATOM 0 HA ILE A 30 -26.614 75.660 27.538 1.00 0.00 H new ATOM 0 HB ILE A 30 -27.713 75.002 29.929 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -27.734 72.225 29.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -26.056 72.714 29.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -29.461 73.787 28.619 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -28.924 75.267 27.789 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -28.335 73.678 27.245 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -26.926 71.995 31.533 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -26.502 73.723 31.561 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -28.206 73.227 31.435 1.00 0.00 H new ATOM 490 N ALA A 31 -25.387 77.214 29.171 1.00 0.00 N ATOM 491 CA ALA A 31 -24.721 78.130 30.153 1.00 0.00 C ATOM 492 C ALA A 31 -23.266 77.694 30.376 1.00 0.00 C ATOM 493 O ALA A 31 -22.957 76.523 30.362 1.00 0.00 O ATOM 494 CB ALA A 31 -25.494 78.090 31.465 1.00 0.00 C ATOM 0 H ALA A 31 -25.711 77.669 28.317 1.00 0.00 H new ATOM 0 HA ALA A 31 -24.717 79.148 29.765 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -25.019 78.753 32.188 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -26.520 78.416 31.293 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -25.498 77.072 31.854 1.00 0.00 H new ATOM 500 N ARG A 32 -22.362 78.632 30.551 1.00 0.00 N ATOM 501 CA ARG A 32 -20.929 78.266 30.737 1.00 0.00 C ATOM 502 C ARG A 32 -20.622 77.880 32.188 1.00 0.00 C ATOM 503 O ARG A 32 -19.957 76.892 32.431 1.00 0.00 O ATOM 504 CB ARG A 32 -20.051 79.442 30.287 1.00 0.00 C ATOM 505 CG ARG A 32 -20.174 80.626 31.259 1.00 0.00 C ATOM 506 CD ARG A 32 -19.350 81.808 30.738 1.00 0.00 C ATOM 507 NE ARG A 32 -20.098 83.092 30.965 1.00 0.00 N ATOM 508 CZ ARG A 32 -21.328 83.278 30.533 1.00 0.00 C ATOM 509 NH1 ARG A 32 -21.902 82.429 29.713 1.00 0.00 N ATOM 510 NH2 ARG A 32 -21.968 84.360 30.880 1.00 0.00 N ATOM 0 H ARG A 32 -22.560 79.632 30.572 1.00 0.00 H new ATOM 0 HA ARG A 32 -20.711 77.389 30.127 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -19.011 79.122 30.228 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -20.345 79.757 29.286 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.219 80.917 31.363 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -19.824 80.334 32.249 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.387 81.843 31.247 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.145 81.679 29.675 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.636 83.847 31.472 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.394 81.603 29.396 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.856 82.595 29.392 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.515 85.050 31.479 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.921 84.516 30.552 1.00 0.00 H new ATOM 524 N SER A 33 -21.083 78.640 33.151 1.00 0.00 N ATOM 525 CA SER A 33 -20.792 78.289 34.575 1.00 0.00 C ATOM 526 C SER A 33 -21.425 76.926 34.880 1.00 0.00 C ATOM 527 O SER A 33 -20.823 76.069 35.501 1.00 0.00 O ATOM 528 CB SER A 33 -21.382 79.353 35.501 1.00 0.00 C ATOM 529 OG SER A 33 -22.774 79.482 35.242 1.00 0.00 O ATOM 0 H SER A 33 -21.643 79.481 33.014 1.00 0.00 H new ATOM 0 HA SER A 33 -19.715 78.244 34.735 1.00 0.00 H new ATOM 0 HB2 SER A 33 -21.218 79.076 36.543 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.881 80.308 35.342 1.00 0.00 H new ATOM 0 HG SER A 33 -23.155 80.162 35.835 1.00 0.00 H new ATOM 535 N THR A 34 -22.630 76.719 34.412 1.00 0.00 N ATOM 536 CA THR A 34 -23.319 75.413 34.623 1.00 0.00 C ATOM 537 C THR A 34 -22.514 74.330 33.907 1.00 0.00 C ATOM 538 O THR A 34 -22.173 73.299 34.461 1.00 0.00 O ATOM 539 CB THR A 34 -24.715 75.492 34.004 1.00 0.00 C ATOM 540 OG1 THR A 34 -25.423 76.581 34.578 1.00 0.00 O ATOM 541 CG2 THR A 34 -25.475 74.190 34.265 1.00 0.00 C ATOM 0 H THR A 34 -23.170 77.407 33.888 1.00 0.00 H new ATOM 0 HA THR A 34 -23.399 75.184 35.686 1.00 0.00 H new ATOM 0 HB THR A 34 -24.625 75.641 32.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 -26.318 76.635 34.182 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.469 74.253 33.821 1.00 0.00 H new ATOM 0 HG22 THR A 34 -24.932 73.356 33.821 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.567 74.032 35.339 1.00 0.00 H new ATOM 549 N VAL A 35 -22.196 74.586 32.668 1.00 0.00 N ATOM 550 CA VAL A 35 -21.398 73.631 31.861 1.00 0.00 C ATOM 551 C VAL A 35 -20.071 73.349 32.573 1.00 0.00 C ATOM 552 O VAL A 35 -19.451 72.338 32.324 1.00 0.00 O ATOM 553 CB VAL A 35 -21.187 74.273 30.469 1.00 0.00 C ATOM 554 CG1 VAL A 35 -19.926 73.758 29.755 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.409 73.942 29.622 1.00 0.00 C ATOM 0 H VAL A 35 -22.464 75.437 32.174 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.906 72.674 31.742 1.00 0.00 H new ATOM 0 HB VAL A 35 -21.055 75.347 30.603 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.833 74.245 28.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.048 73.983 30.360 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.002 72.680 29.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -22.294 74.380 28.631 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.507 72.860 29.531 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -23.302 74.348 30.097 1.00 0.00 H new ATOM 565 N TYR A 36 -19.629 74.228 33.446 1.00 0.00 N ATOM 566 CA TYR A 36 -18.336 73.976 34.138 1.00 0.00 C ATOM 567 C TYR A 36 -18.522 72.924 35.210 1.00 0.00 C ATOM 568 O TYR A 36 -17.668 72.083 35.396 1.00 0.00 O ATOM 569 CB TYR A 36 -17.755 75.269 34.727 1.00 0.00 C ATOM 570 CG TYR A 36 -16.716 75.809 33.771 1.00 0.00 C ATOM 571 CD1 TYR A 36 -15.720 74.960 33.272 1.00 0.00 C ATOM 572 CD2 TYR A 36 -16.770 77.138 33.364 1.00 0.00 C ATOM 573 CE1 TYR A 36 -14.779 75.431 32.367 1.00 0.00 C ATOM 574 CE2 TYR A 36 -15.829 77.625 32.454 1.00 0.00 C ATOM 575 CZ TYR A 36 -14.829 76.771 31.949 1.00 0.00 C ATOM 576 OH TYR A 36 -13.898 77.251 31.049 1.00 0.00 O ATOM 0 H TYR A 36 -20.104 75.094 33.702 1.00 0.00 H new ATOM 0 HA TYR A 36 -17.619 73.606 33.405 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -18.546 76.003 34.881 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.307 75.073 35.701 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -15.684 73.930 33.594 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -17.538 77.792 33.751 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.013 74.771 31.987 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.868 78.657 32.137 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.077 78.197 30.866 1.00 0.00 H new ATOM 586 N LYS A 37 -19.647 72.915 35.883 1.00 0.00 N ATOM 587 CA LYS A 37 -19.897 71.849 36.898 1.00 0.00 C ATOM 588 C LYS A 37 -19.733 70.497 36.190 1.00 0.00 C ATOM 589 O LYS A 37 -19.233 69.533 36.736 1.00 0.00 O ATOM 590 CB LYS A 37 -21.328 71.969 37.411 1.00 0.00 C ATOM 591 CG LYS A 37 -21.451 73.181 38.348 1.00 0.00 C ATOM 592 CD LYS A 37 -22.416 74.207 37.748 1.00 0.00 C ATOM 593 CE LYS A 37 -22.860 75.188 38.835 1.00 0.00 C ATOM 594 NZ LYS A 37 -23.217 76.493 38.211 1.00 0.00 N ATOM 0 H LYS A 37 -20.398 73.596 35.773 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.206 71.941 37.736 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -22.016 72.076 36.572 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -21.611 71.059 37.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -21.809 72.861 39.326 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -20.472 73.635 38.500 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.931 74.745 36.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -23.283 73.701 37.324 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -23.716 74.785 39.376 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -22.060 75.327 39.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.519 77.160 38.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.389 76.878 37.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.993 76.353 37.533 1.00 0.00 H new ATOM 608 N VAL A 38 -20.156 70.461 34.954 1.00 0.00 N ATOM 609 CA VAL A 38 -20.055 69.239 34.127 1.00 0.00 C ATOM 610 C VAL A 38 -18.579 68.861 33.885 1.00 0.00 C ATOM 611 O VAL A 38 -18.186 67.720 34.037 1.00 0.00 O ATOM 612 CB VAL A 38 -20.771 69.565 32.791 1.00 0.00 C ATOM 613 CG1 VAL A 38 -20.040 68.994 31.563 1.00 0.00 C ATOM 614 CG2 VAL A 38 -22.190 69.015 32.854 1.00 0.00 C ATOM 0 H VAL A 38 -20.579 71.257 34.476 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.516 68.385 34.623 1.00 0.00 H new ATOM 0 HB VAL A 38 -20.777 70.648 32.670 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -20.589 69.255 30.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.035 69.413 31.511 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.977 67.909 31.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -22.708 69.236 31.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -22.156 67.936 33.003 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -22.724 69.479 33.684 1.00 0.00 H new ATOM 624 N ILE A 39 -17.787 69.807 33.452 1.00 0.00 N ATOM 625 CA ILE A 39 -16.355 69.517 33.127 1.00 0.00 C ATOM 626 C ILE A 39 -15.652 68.938 34.348 1.00 0.00 C ATOM 627 O ILE A 39 -14.851 68.028 34.249 1.00 0.00 O ATOM 628 CB ILE A 39 -15.630 70.777 32.645 1.00 0.00 C ATOM 629 CG1 ILE A 39 -16.528 71.607 31.734 1.00 0.00 C ATOM 630 CG2 ILE A 39 -14.391 70.364 31.850 1.00 0.00 C ATOM 631 CD1 ILE A 39 -15.726 72.769 31.198 1.00 0.00 C ATOM 0 H ILE A 39 -18.071 70.776 33.308 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.330 68.786 32.319 1.00 0.00 H new ATOM 0 HB ILE A 39 -15.357 71.372 33.516 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.903 70.996 30.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.396 71.968 32.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -13.868 71.255 31.502 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.728 69.779 32.488 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -14.693 69.763 30.992 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.354 73.374 30.544 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.372 73.381 32.028 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.872 72.393 30.635 1.00 0.00 H new ATOM 643 N ASN A 40 -15.977 69.445 35.497 1.00 0.00 N ATOM 644 CA ASN A 40 -15.374 68.928 36.758 1.00 0.00 C ATOM 645 C ASN A 40 -15.773 67.463 36.927 1.00 0.00 C ATOM 646 O ASN A 40 -14.989 66.637 37.356 1.00 0.00 O ATOM 647 CB ASN A 40 -15.923 69.727 37.936 1.00 0.00 C ATOM 648 CG ASN A 40 -15.142 69.375 39.203 1.00 0.00 C ATOM 649 OD1 ASN A 40 -13.928 69.408 39.212 1.00 0.00 O ATOM 650 ND2 ASN A 40 -15.793 69.035 40.282 1.00 0.00 N ATOM 0 H ASN A 40 -16.644 70.207 35.622 1.00 0.00 H new ATOM 0 HA ASN A 40 -14.289 69.021 36.719 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -15.844 70.795 37.733 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -16.981 69.507 38.076 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.282 68.797 41.132 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -16.813 69.007 40.275 1.00 0.00 H new ATOM 657 N GLU A 41 -16.997 67.143 36.589 1.00 0.00 N ATOM 658 CA GLU A 41 -17.473 65.736 36.722 1.00 0.00 C ATOM 659 C GLU A 41 -16.661 64.828 35.794 1.00 0.00 C ATOM 660 O GLU A 41 -16.467 63.660 36.073 1.00 0.00 O ATOM 661 CB GLU A 41 -18.953 65.660 36.339 1.00 0.00 C ATOM 662 CG GLU A 41 -19.791 66.384 37.394 1.00 0.00 C ATOM 663 CD GLU A 41 -21.172 65.731 37.485 1.00 0.00 C ATOM 664 OE1 GLU A 41 -21.989 65.996 36.620 1.00 0.00 O ATOM 665 OE2 GLU A 41 -21.387 64.977 38.420 1.00 0.00 O ATOM 0 H GLU A 41 -17.688 67.799 36.226 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.345 65.408 37.753 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.110 66.114 35.360 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.267 64.619 36.262 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.292 66.341 38.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.892 67.438 37.134 1.00 0.00 H new ATOM 672 N SER A 42 -16.187 65.358 34.694 1.00 0.00 N ATOM 673 CA SER A 42 -15.388 64.529 33.743 1.00 0.00 C ATOM 674 C SER A 42 -13.974 65.105 33.614 1.00 0.00 C ATOM 675 O SER A 42 -13.323 64.945 32.599 1.00 0.00 O ATOM 676 CB SER A 42 -16.065 64.533 32.373 1.00 0.00 C ATOM 677 OG SER A 42 -17.106 63.565 32.361 1.00 0.00 O ATOM 0 H SER A 42 -16.320 66.330 34.414 1.00 0.00 H new ATOM 0 HA SER A 42 -15.328 63.508 34.119 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.470 65.522 32.157 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.336 64.310 31.594 1.00 0.00 H new ATOM 0 HG SER A 42 -17.544 63.566 31.484 1.00 0.00 H new