USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ 180:sc= 2.23 (180deg=1.07) USER MOD Set 1.2: A 61 THR OG1 : rot 71:sc= 0.34 USER MOD Single : A 12 GLN : amide:sc= -1.4! X(o=-1.4!,f=-0.92) USER MOD Single : A 22 SER OG : rot -153:sc= 0.626 USER MOD Single : A 25 THR OG1 : rot -150:sc= -0.146 USER MOD Single : A 26 THR OG1 : rot 45:sc= 0.0249 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 32 SER OG : rot 83:sc= 1.17 USER MOD Single : A 33 HIS : no HE2:sc= -0.462 X(o=-0.46,f=-0.86) USER MOD Single : A 36 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 43 CYS SG : rot 74:sc= -0.823! USER MOD Single : A 46 MET CE :methyl 151:sc= -1.08 (180deg=-2.25!) USER MOD Single : A 62 TYR OH : rot 30:sc= 0.421 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 72 MET CE :methyl -164:sc= -0.869 (180deg=-1.72) USER MOD Single : A 73 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.45) USER MOD Single : A 77 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-5.2) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.034 (180deg=-0.26) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.946) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.259 -17.801 -3.764 1.00 43.30 N ATOM 149 CA GLU A 11 -6.442 -17.693 -4.604 1.00 13.02 C ATOM 150 C GLU A 11 -6.733 -19.029 -5.276 1.00 14.53 C ATOM 151 O GLU A 11 -7.860 -19.301 -5.679 1.00 40.24 O ATOM 152 CB GLU A 11 -6.244 -16.597 -5.651 1.00 14.03 C ATOM 153 CG GLU A 11 -7.484 -16.308 -6.476 1.00 73.21 C ATOM 154 CD GLU A 11 -7.302 -15.132 -7.406 1.00 62.34 C ATOM 155 OE1 GLU A 11 -7.172 -13.995 -6.912 1.00 43.53 O ATOM 156 OE2 GLU A 11 -7.308 -15.340 -8.635 1.00 75.32 O ATOM 0 HA GLU A 11 -7.296 -17.427 -3.981 1.00 13.02 H new ATOM 0 HB2 GLU A 11 -5.931 -15.681 -5.150 1.00 14.03 H new ATOM 0 HB3 GLU A 11 -5.434 -16.888 -6.319 1.00 14.03 H new ATOM 0 HG2 GLU A 11 -7.741 -17.192 -7.060 1.00 73.21 H new ATOM 0 HG3 GLU A 11 -8.323 -16.112 -5.808 1.00 73.21 H new ATOM 163 N GLN A 12 -5.698 -19.853 -5.379 1.00 1.52 N ATOM 164 CA GLN A 12 -5.809 -21.195 -5.933 1.00 4.34 C ATOM 165 C GLN A 12 -6.929 -22.001 -5.272 1.00 12.11 C ATOM 166 O GLN A 12 -7.882 -22.402 -5.936 1.00 23.13 O ATOM 167 CB GLN A 12 -4.477 -21.925 -5.763 1.00 22.54 C ATOM 168 CG GLN A 12 -4.565 -23.424 -5.978 1.00 24.54 C ATOM 169 CD GLN A 12 -3.242 -24.111 -5.741 1.00 31.42 C ATOM 170 OE1 GLN A 12 -2.422 -23.647 -4.950 1.00 35.05 O ATOM 171 NE2 GLN A 12 -3.033 -25.231 -6.406 1.00 34.03 N ATOM 0 H GLN A 12 -4.754 -19.608 -5.079 1.00 1.52 H new ATOM 0 HA GLN A 12 -6.056 -21.100 -6.990 1.00 4.34 H new ATOM 0 HB2 GLN A 12 -3.754 -21.509 -6.465 1.00 22.54 H new ATOM 0 HB3 GLN A 12 -4.095 -21.734 -4.760 1.00 22.54 H new ATOM 0 HG2 GLN A 12 -5.315 -23.842 -5.307 1.00 24.54 H new ATOM 0 HG3 GLN A 12 -4.900 -23.625 -6.996 1.00 24.54 H new ATOM 0 HE21 GLN A 12 -3.741 -25.580 -7.053 1.00 34.03 H new ATOM 0 HE22 GLN A 12 -2.164 -25.748 -6.274 1.00 34.03 H new ATOM 180 N LEU A 13 -6.826 -22.220 -3.963 1.00 72.44 N ATOM 181 CA LEU A 13 -7.757 -23.111 -3.282 1.00 4.35 C ATOM 182 C LEU A 13 -9.064 -22.394 -2.952 1.00 44.34 C ATOM 183 O LEU A 13 -10.022 -23.012 -2.484 1.00 21.25 O ATOM 184 CB LEU A 13 -7.124 -23.714 -2.015 1.00 73.10 C ATOM 185 CG LEU A 13 -7.423 -22.997 -0.694 1.00 1.43 C ATOM 186 CD1 LEU A 13 -7.129 -23.916 0.480 1.00 72.24 C ATOM 187 CD2 LEU A 13 -6.607 -21.725 -0.568 1.00 72.41 C ATOM 0 H LEU A 13 -6.118 -21.799 -3.362 1.00 72.44 H new ATOM 0 HA LEU A 13 -7.988 -23.931 -3.962 1.00 4.35 H new ATOM 0 HB2 LEU A 13 -7.458 -24.748 -1.925 1.00 73.10 H new ATOM 0 HB3 LEU A 13 -6.043 -23.739 -2.152 1.00 73.10 H new ATOM 0 HG LEU A 13 -8.480 -22.730 -0.687 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -7.345 -23.395 1.413 1.00 72.24 H new ATOM 0 HD12 LEU A 13 -7.752 -24.807 0.409 1.00 72.24 H new ATOM 0 HD13 LEU A 13 -6.078 -24.205 0.461 1.00 72.24 H new ATOM 0 HD21 LEU A 13 -6.839 -21.236 0.378 1.00 72.41 H new ATOM 0 HD22 LEU A 13 -5.545 -21.969 -0.600 1.00 72.41 H new ATOM 0 HD23 LEU A 13 -6.850 -21.054 -1.392 1.00 72.41 H new ATOM 199 N ARG A 14 -9.098 -21.092 -3.193 1.00 63.41 N ATOM 200 CA ARG A 14 -10.320 -20.320 -3.006 1.00 11.35 C ATOM 201 C ARG A 14 -11.064 -20.215 -4.324 1.00 73.20 C ATOM 202 O ARG A 14 -12.211 -19.770 -4.376 1.00 50.23 O ATOM 203 CB ARG A 14 -10.015 -18.918 -2.487 1.00 44.25 C ATOM 204 CG ARG A 14 -9.144 -18.901 -1.249 1.00 34.21 C ATOM 205 CD ARG A 14 -9.149 -17.535 -0.594 1.00 0.21 C ATOM 206 NE ARG A 14 -8.817 -16.460 -1.528 1.00 42.31 N ATOM 207 CZ ARG A 14 -8.622 -15.198 -1.153 1.00 21.42 C ATOM 208 NH1 ARG A 14 -8.660 -14.881 0.135 1.00 50.13 N ATOM 209 NH2 ARG A 14 -8.385 -14.259 -2.061 1.00 11.40 N ATOM 0 H ARG A 14 -8.298 -20.549 -3.517 1.00 63.41 H new ATOM 0 HA ARG A 14 -10.935 -20.835 -2.268 1.00 11.35 H new ATOM 0 HB2 ARG A 14 -9.522 -18.348 -3.275 1.00 44.25 H new ATOM 0 HB3 ARG A 14 -10.954 -18.410 -2.266 1.00 44.25 H new ATOM 0 HG2 ARG A 14 -9.500 -19.648 -0.540 1.00 34.21 H new ATOM 0 HG3 ARG A 14 -8.123 -19.176 -1.515 1.00 34.21 H new ATOM 0 HD2 ARG A 14 -10.133 -17.346 -0.164 1.00 0.21 H new ATOM 0 HD3 ARG A 14 -8.435 -17.529 0.229 1.00 0.21 H new ATOM 0 HE ARG A 14 -8.730 -16.689 -2.518 1.00 42.31 H new ATOM 0 HH11 ARG A 14 -8.838 -15.603 0.833 1.00 50.13 H new ATOM 0 HH12 ARG A 14 -8.511 -13.915 0.427 1.00 50.13 H new ATOM 0 HH21 ARG A 14 -8.352 -14.503 -3.051 1.00 11.40 H new ATOM 0 HH22 ARG A 14 -8.236 -13.293 -1.769 1.00 11.40 H new ATOM 223 N LYS A 15 -10.393 -20.614 -5.389 1.00 20.01 N ATOM 224 CA LYS A 15 -10.977 -20.580 -6.709 1.00 24.31 C ATOM 225 C LYS A 15 -11.572 -21.937 -7.041 1.00 63.12 C ATOM 226 O LYS A 15 -11.003 -22.981 -6.715 1.00 74.11 O ATOM 227 CB LYS A 15 -9.931 -20.190 -7.753 1.00 5.43 C ATOM 228 CG LYS A 15 -10.523 -19.772 -9.092 1.00 0.22 C ATOM 229 CD LYS A 15 -9.438 -19.486 -10.120 1.00 61.21 C ATOM 230 CE LYS A 15 -8.452 -18.433 -9.634 1.00 3.24 C ATOM 231 NZ LYS A 15 -9.079 -17.094 -9.469 1.00 33.41 N ATOM 0 H LYS A 15 -9.436 -20.967 -5.360 1.00 20.01 H new ATOM 0 HA LYS A 15 -11.767 -19.829 -6.723 1.00 24.31 H new ATOM 0 HB2 LYS A 15 -9.329 -19.370 -7.361 1.00 5.43 H new ATOM 0 HB3 LYS A 15 -9.258 -21.033 -7.911 1.00 5.43 H new ATOM 0 HG2 LYS A 15 -11.178 -20.561 -9.463 1.00 0.22 H new ATOM 0 HG3 LYS A 15 -11.140 -18.883 -8.956 1.00 0.22 H new ATOM 0 HD2 LYS A 15 -8.901 -20.407 -10.346 1.00 61.21 H new ATOM 0 HD3 LYS A 15 -9.899 -19.149 -11.049 1.00 61.21 H new ATOM 0 HE2 LYS A 15 -8.027 -18.751 -8.682 1.00 3.24 H new ATOM 0 HE3 LYS A 15 -7.627 -18.359 -10.342 1.00 3.24 H new ATOM 0 HZ1 LYS A 15 -8.365 -16.415 -9.137 1.00 33.41 H new ATOM 0 HZ2 LYS A 15 -9.462 -16.775 -10.382 1.00 33.41 H new ATOM 0 HZ3 LYS A 15 -9.849 -17.155 -8.773 1.00 33.41 H new ATOM 245 N LEU A 16 -12.726 -21.909 -7.664 1.00 63.32 N ATOM 246 CA LEU A 16 -13.423 -23.109 -8.050 1.00 31.44 C ATOM 247 C LEU A 16 -13.390 -23.248 -9.567 1.00 35.51 C ATOM 248 O LEU A 16 -13.721 -22.307 -10.292 1.00 60.14 O ATOM 249 CB LEU A 16 -14.863 -23.026 -7.547 1.00 50.14 C ATOM 250 CG LEU A 16 -15.493 -24.338 -7.092 1.00 42.41 C ATOM 251 CD1 LEU A 16 -14.600 -25.033 -6.082 1.00 33.51 C ATOM 252 CD2 LEU A 16 -16.862 -24.072 -6.490 1.00 32.52 C ATOM 0 H LEU A 16 -13.209 -21.047 -7.918 1.00 63.32 H new ATOM 0 HA LEU A 16 -12.943 -23.984 -7.612 1.00 31.44 H new ATOM 0 HB2 LEU A 16 -14.895 -22.323 -6.714 1.00 50.14 H new ATOM 0 HB3 LEU A 16 -15.480 -22.607 -8.342 1.00 50.14 H new ATOM 0 HG LEU A 16 -15.607 -24.992 -7.957 1.00 42.41 H new ATOM 0 HD11 LEU A 16 -15.065 -25.968 -5.768 1.00 33.51 H new ATOM 0 HD12 LEU A 16 -13.632 -25.244 -6.537 1.00 33.51 H new ATOM 0 HD13 LEU A 16 -14.461 -24.388 -5.215 1.00 33.51 H new ATOM 0 HD21 LEU A 16 -17.307 -25.013 -6.167 1.00 32.52 H new ATOM 0 HD22 LEU A 16 -16.760 -23.406 -5.633 1.00 32.52 H new ATOM 0 HD23 LEU A 16 -17.504 -23.605 -7.237 1.00 32.52 H new ATOM 264 N PHE A 17 -12.961 -24.406 -10.033 1.00 43.34 N ATOM 265 CA PHE A 17 -12.908 -24.696 -11.455 1.00 60.41 C ATOM 266 C PHE A 17 -14.266 -25.190 -11.922 1.00 74.13 C ATOM 267 O PHE A 17 -14.689 -26.294 -11.571 1.00 52.41 O ATOM 268 CB PHE A 17 -11.824 -25.738 -11.742 1.00 73.13 C ATOM 269 CG PHE A 17 -11.721 -26.141 -13.188 1.00 21.13 C ATOM 270 CD1 PHE A 17 -11.712 -27.479 -13.547 1.00 43.02 C ATOM 271 CD2 PHE A 17 -11.632 -25.185 -14.186 1.00 32.43 C ATOM 272 CE1 PHE A 17 -11.613 -27.854 -14.873 1.00 42.21 C ATOM 273 CE2 PHE A 17 -11.536 -25.554 -15.513 1.00 21.25 C ATOM 274 CZ PHE A 17 -11.525 -26.890 -15.857 1.00 12.00 C ATOM 0 H PHE A 17 -12.640 -25.171 -9.439 1.00 43.34 H new ATOM 0 HA PHE A 17 -12.657 -23.787 -12.001 1.00 60.41 H new ATOM 0 HB2 PHE A 17 -10.861 -25.343 -11.417 1.00 73.13 H new ATOM 0 HB3 PHE A 17 -12.022 -26.626 -11.142 1.00 73.13 H new ATOM 0 HD1 PHE A 17 -11.783 -28.238 -12.782 1.00 43.02 H new ATOM 0 HD2 PHE A 17 -11.638 -24.138 -13.923 1.00 32.43 H new ATOM 0 HE1 PHE A 17 -11.604 -28.901 -15.139 1.00 42.21 H new ATOM 0 HE2 PHE A 17 -11.470 -24.798 -16.281 1.00 21.25 H new ATOM 0 HZ PHE A 17 -11.448 -27.181 -16.894 1.00 12.00 H new ATOM 284 N ILE A 18 -14.950 -24.364 -12.695 1.00 3.13 N ATOM 285 CA ILE A 18 -16.307 -24.664 -13.120 1.00 55.21 C ATOM 286 C ILE A 18 -16.329 -25.059 -14.583 1.00 51.25 C ATOM 287 O ILE A 18 -16.235 -24.207 -15.461 1.00 74.24 O ATOM 288 CB ILE A 18 -17.243 -23.452 -12.923 1.00 74.34 C ATOM 289 CG1 ILE A 18 -17.038 -22.833 -11.541 1.00 73.43 C ATOM 290 CG2 ILE A 18 -18.695 -23.864 -13.113 1.00 65.23 C ATOM 291 CD1 ILE A 18 -17.176 -23.820 -10.402 1.00 73.22 C ATOM 0 H ILE A 18 -14.586 -23.477 -13.042 1.00 3.13 H new ATOM 0 HA ILE A 18 -16.661 -25.490 -12.503 1.00 55.21 H new ATOM 0 HB ILE A 18 -16.996 -22.702 -13.674 1.00 74.34 H new ATOM 0 HG12 ILE A 18 -16.047 -22.381 -11.499 1.00 73.43 H new ATOM 0 HG13 ILE A 18 -17.761 -22.029 -11.402 1.00 73.43 H new ATOM 0 HG21 ILE A 18 -19.341 -22.997 -12.970 1.00 65.23 H new ATOM 0 HG22 ILE A 18 -18.833 -24.257 -14.120 1.00 65.23 H new ATOM 0 HG23 ILE A 18 -18.953 -24.633 -12.385 1.00 65.23 H new ATOM 0 HD11 ILE A 18 -17.017 -23.306 -9.454 1.00 73.22 H new ATOM 0 HD12 ILE A 18 -18.176 -24.254 -10.416 1.00 73.22 H new ATOM 0 HD13 ILE A 18 -16.435 -24.611 -10.514 1.00 73.22 H new ATOM 303 N GLY A 19 -16.454 -26.346 -14.847 1.00 34.20 N ATOM 304 CA GLY A 19 -16.475 -26.804 -16.213 1.00 70.21 C ATOM 305 C GLY A 19 -17.765 -27.510 -16.549 1.00 61.44 C ATOM 306 O GLY A 19 -18.468 -27.993 -15.654 1.00 24.51 O ATOM 0 H GLY A 19 -16.541 -27.079 -14.143 1.00 34.20 H new ATOM 0 HA2 GLY A 19 -16.341 -25.955 -16.883 1.00 70.21 H new ATOM 0 HA3 GLY A 19 -15.636 -27.479 -16.383 1.00 70.21 H new ATOM 310 N GLY A 20 -18.084 -27.564 -17.832 1.00 14.42 N ATOM 311 CA GLY A 20 -19.277 -28.254 -18.266 1.00 2.45 C ATOM 312 C GLY A 20 -20.506 -27.387 -18.154 1.00 10.11 C ATOM 313 O GLY A 20 -21.615 -27.891 -17.974 1.00 22.51 O ATOM 0 H GLY A 20 -17.536 -27.141 -18.581 1.00 14.42 H new ATOM 0 HA2 GLY A 20 -19.154 -28.575 -19.300 1.00 2.45 H new ATOM 0 HA3 GLY A 20 -19.413 -29.154 -17.667 1.00 2.45 H new ATOM 317 N LEU A 21 -20.311 -26.080 -18.255 1.00 32.34 N ATOM 318 CA LEU A 21 -21.413 -25.144 -18.149 1.00 52.44 C ATOM 319 C LEU A 21 -21.932 -24.754 -19.527 1.00 72.11 C ATOM 320 O LEU A 21 -21.425 -25.220 -20.549 1.00 32.32 O ATOM 321 CB LEU A 21 -21.008 -23.906 -17.327 1.00 3.45 C ATOM 322 CG LEU A 21 -19.656 -23.268 -17.672 1.00 44.30 C ATOM 323 CD1 LEU A 21 -19.755 -22.405 -18.918 1.00 44.42 C ATOM 324 CD2 LEU A 21 -19.150 -22.443 -16.500 1.00 44.53 C ATOM 0 H LEU A 21 -19.400 -25.647 -18.410 1.00 32.34 H new ATOM 0 HA LEU A 21 -22.227 -25.638 -17.619 1.00 52.44 H new ATOM 0 HB2 LEU A 21 -21.783 -23.149 -17.446 1.00 3.45 H new ATOM 0 HB3 LEU A 21 -20.995 -24.185 -16.273 1.00 3.45 H new ATOM 0 HG LEU A 21 -18.947 -24.071 -17.875 1.00 44.30 H new ATOM 0 HD11 LEU A 21 -18.781 -21.967 -19.136 1.00 44.42 H new ATOM 0 HD12 LEU A 21 -20.074 -23.018 -19.761 1.00 44.42 H new ATOM 0 HD13 LEU A 21 -20.481 -21.609 -18.753 1.00 44.42 H new ATOM 0 HD21 LEU A 21 -18.190 -21.996 -16.758 1.00 44.53 H new ATOM 0 HD22 LEU A 21 -19.868 -21.655 -16.273 1.00 44.53 H new ATOM 0 HD23 LEU A 21 -19.029 -23.086 -15.628 1.00 44.53 H new ATOM 336 N SER A 22 -22.937 -23.902 -19.538 1.00 23.12 N ATOM 337 CA SER A 22 -23.597 -23.504 -20.765 1.00 43.02 C ATOM 338 C SER A 22 -22.807 -22.408 -21.475 1.00 23.43 C ATOM 339 O SER A 22 -22.108 -21.622 -20.837 1.00 51.33 O ATOM 340 CB SER A 22 -25.011 -23.021 -20.431 1.00 42.02 C ATOM 341 OG SER A 22 -25.655 -22.444 -21.552 1.00 73.25 O ATOM 0 H SER A 22 -23.319 -23.467 -18.698 1.00 23.12 H new ATOM 0 HA SER A 22 -23.653 -24.358 -21.440 1.00 43.02 H new ATOM 0 HB2 SER A 22 -25.603 -23.860 -20.065 1.00 42.02 H new ATOM 0 HB3 SER A 22 -24.963 -22.289 -19.625 1.00 42.02 H new ATOM 0 HG SER A 22 -26.324 -21.796 -21.247 1.00 73.25 H new ATOM 347 N PHE A 23 -22.928 -22.348 -22.794 1.00 74.43 N ATOM 348 CA PHE A 23 -22.279 -21.296 -23.566 1.00 54.04 C ATOM 349 C PHE A 23 -22.999 -19.970 -23.355 1.00 2.12 C ATOM 350 O PHE A 23 -22.544 -18.915 -23.802 1.00 14.20 O ATOM 351 CB PHE A 23 -22.248 -21.648 -25.053 1.00 14.14 C ATOM 352 CG PHE A 23 -21.383 -22.835 -25.370 1.00 51.14 C ATOM 353 CD1 PHE A 23 -21.942 -24.089 -25.552 1.00 51.42 C ATOM 354 CD2 PHE A 23 -20.010 -22.695 -25.485 1.00 11.23 C ATOM 355 CE1 PHE A 23 -21.148 -25.181 -25.843 1.00 40.02 C ATOM 356 CE2 PHE A 23 -19.210 -23.783 -25.776 1.00 51.51 C ATOM 357 CZ PHE A 23 -19.780 -25.028 -25.954 1.00 70.11 C ATOM 0 H PHE A 23 -23.467 -23.012 -23.350 1.00 74.43 H new ATOM 0 HA PHE A 23 -21.251 -21.202 -23.217 1.00 54.04 H new ATOM 0 HB2 PHE A 23 -23.264 -21.848 -25.392 1.00 14.14 H new ATOM 0 HB3 PHE A 23 -21.888 -20.786 -25.615 1.00 14.14 H new ATOM 0 HD1 PHE A 23 -23.011 -24.214 -25.465 1.00 51.42 H new ATOM 0 HD2 PHE A 23 -19.559 -21.724 -25.345 1.00 11.23 H new ATOM 0 HE1 PHE A 23 -21.596 -26.153 -25.984 1.00 40.02 H new ATOM 0 HE2 PHE A 23 -18.141 -23.660 -25.864 1.00 51.51 H new ATOM 0 HZ PHE A 23 -19.157 -25.881 -26.180 1.00 70.11 H new ATOM 367 N GLU A 24 -24.125 -20.039 -22.658 1.00 61.03 N ATOM 368 CA GLU A 24 -24.908 -18.862 -22.335 1.00 72.12 C ATOM 369 C GLU A 24 -24.467 -18.328 -20.978 1.00 43.43 C ATOM 370 O GLU A 24 -24.848 -17.230 -20.564 1.00 24.22 O ATOM 371 CB GLU A 24 -26.393 -19.228 -22.329 1.00 54.44 C ATOM 372 CG GLU A 24 -26.772 -20.164 -23.468 1.00 10.41 C ATOM 373 CD GLU A 24 -28.211 -20.629 -23.413 1.00 43.33 C ATOM 374 OE1 GLU A 24 -29.030 -20.129 -24.208 1.00 70.15 O ATOM 375 OE2 GLU A 24 -28.527 -21.519 -22.590 1.00 70.13 O ATOM 0 H GLU A 24 -24.517 -20.911 -22.303 1.00 61.03 H new ATOM 0 HA GLU A 24 -24.751 -18.084 -23.082 1.00 72.12 H new ATOM 0 HB2 GLU A 24 -26.643 -19.699 -21.378 1.00 54.44 H new ATOM 0 HB3 GLU A 24 -26.988 -18.317 -22.399 1.00 54.44 H new ATOM 0 HG2 GLU A 24 -26.598 -19.657 -24.417 1.00 10.41 H new ATOM 0 HG3 GLU A 24 -26.116 -21.034 -23.446 1.00 10.41 H new ATOM 382 N THR A 25 -23.648 -19.122 -20.297 1.00 3.03 N ATOM 383 CA THR A 25 -23.060 -18.728 -19.034 1.00 71.24 C ATOM 384 C THR A 25 -21.949 -17.709 -19.271 1.00 22.34 C ATOM 385 O THR A 25 -20.935 -18.018 -19.902 1.00 5.12 O ATOM 386 CB THR A 25 -22.475 -19.946 -18.300 1.00 12.43 C ATOM 387 OG1 THR A 25 -23.470 -20.977 -18.202 1.00 42.01 O ATOM 388 CG2 THR A 25 -21.992 -19.566 -16.908 1.00 64.04 C ATOM 0 H THR A 25 -23.377 -20.054 -20.609 1.00 3.03 H new ATOM 0 HA THR A 25 -23.844 -18.285 -18.420 1.00 71.24 H new ATOM 0 HB THR A 25 -21.622 -20.312 -18.871 1.00 12.43 H new ATOM 0 HG1 THR A 25 -23.315 -21.505 -17.391 1.00 42.01 H new ATOM 0 HG21 THR A 25 -21.583 -20.446 -16.412 1.00 64.04 H new ATOM 0 HG22 THR A 25 -21.218 -18.802 -16.987 1.00 64.04 H new ATOM 0 HG23 THR A 25 -22.828 -19.177 -16.326 1.00 64.04 H new ATOM 396 N THR A 26 -22.162 -16.494 -18.803 1.00 63.44 N ATOM 397 CA THR A 26 -21.154 -15.457 -18.899 1.00 15.35 C ATOM 398 C THR A 26 -20.783 -14.979 -17.497 1.00 63.13 C ATOM 399 O THR A 26 -21.291 -15.517 -16.519 1.00 51.21 O ATOM 400 CB THR A 26 -21.637 -14.288 -19.793 1.00 52.14 C ATOM 401 OG1 THR A 26 -20.600 -13.311 -19.950 1.00 74.13 O ATOM 402 CG2 THR A 26 -22.886 -13.634 -19.222 1.00 72.23 C ATOM 0 H THR A 26 -23.028 -16.201 -18.351 1.00 63.44 H new ATOM 0 HA THR A 26 -20.263 -15.868 -19.374 1.00 15.35 H new ATOM 0 HB THR A 26 -21.885 -14.702 -20.770 1.00 52.14 H new ATOM 0 HG1 THR A 26 -19.751 -13.763 -20.138 1.00 74.13 H new ATOM 0 HG21 THR A 26 -23.199 -12.818 -19.873 1.00 72.23 H new ATOM 0 HG22 THR A 26 -23.685 -14.372 -19.156 1.00 72.23 H new ATOM 0 HG23 THR A 26 -22.670 -13.243 -18.228 1.00 72.23 H new ATOM 410 N ASP A 27 -19.894 -13.995 -17.407 1.00 51.13 N ATOM 411 CA ASP A 27 -19.372 -13.518 -16.119 1.00 74.41 C ATOM 412 C ASP A 27 -20.484 -13.249 -15.113 1.00 62.33 C ATOM 413 O ASP A 27 -20.451 -13.751 -13.987 1.00 11.23 O ATOM 414 CB ASP A 27 -18.542 -12.251 -16.326 1.00 4.23 C ATOM 415 CG ASP A 27 -18.202 -11.548 -15.025 1.00 41.02 C ATOM 416 OD1 ASP A 27 -17.293 -12.013 -14.307 1.00 32.54 O ATOM 417 OD2 ASP A 27 -18.828 -10.507 -14.726 1.00 4.15 O ATOM 0 H ASP A 27 -19.513 -13.504 -18.216 1.00 51.13 H new ATOM 0 HA ASP A 27 -18.742 -14.308 -15.711 1.00 74.41 H new ATOM 0 HB2 ASP A 27 -17.619 -12.508 -16.846 1.00 4.23 H new ATOM 0 HB3 ASP A 27 -19.091 -11.565 -16.971 1.00 4.23 H new ATOM 422 N GLU A 28 -21.479 -12.478 -15.527 1.00 34.44 N ATOM 423 CA GLU A 28 -22.578 -12.126 -14.638 1.00 4.41 C ATOM 424 C GLU A 28 -23.399 -13.354 -14.263 1.00 21.23 C ATOM 425 O GLU A 28 -23.850 -13.478 -13.127 1.00 52.10 O ATOM 426 CB GLU A 28 -23.475 -11.058 -15.265 1.00 25.32 C ATOM 427 CG GLU A 28 -24.147 -11.482 -16.560 1.00 34.35 C ATOM 428 CD GLU A 28 -25.157 -10.465 -17.039 1.00 10.13 C ATOM 429 OE1 GLU A 28 -24.744 -9.447 -17.634 1.00 63.34 O ATOM 430 OE2 GLU A 28 -26.370 -10.676 -16.818 1.00 41.21 O ATOM 0 H GLU A 28 -21.549 -12.086 -16.466 1.00 34.44 H new ATOM 0 HA GLU A 28 -22.142 -11.716 -13.727 1.00 4.41 H new ATOM 0 HB2 GLU A 28 -24.245 -10.779 -14.545 1.00 25.32 H new ATOM 0 HB3 GLU A 28 -22.878 -10.166 -15.455 1.00 25.32 H new ATOM 0 HG2 GLU A 28 -23.389 -11.629 -17.329 1.00 34.35 H new ATOM 0 HG3 GLU A 28 -24.642 -12.442 -16.413 1.00 34.35 H new ATOM 437 N SER A 29 -23.567 -14.270 -15.209 1.00 21.12 N ATOM 438 CA SER A 29 -24.326 -15.483 -14.960 1.00 73.14 C ATOM 439 C SER A 29 -23.549 -16.385 -14.011 1.00 62.54 C ATOM 440 O SER A 29 -24.116 -17.019 -13.126 1.00 33.32 O ATOM 441 CB SER A 29 -24.591 -16.215 -16.274 1.00 40.05 C ATOM 442 OG SER A 29 -25.034 -15.316 -17.276 1.00 23.03 O ATOM 0 H SER A 29 -23.188 -14.194 -16.153 1.00 21.12 H new ATOM 0 HA SER A 29 -25.281 -15.220 -14.506 1.00 73.14 H new ATOM 0 HB2 SER A 29 -23.681 -16.715 -16.606 1.00 40.05 H new ATOM 0 HB3 SER A 29 -25.342 -16.990 -16.118 1.00 40.05 H new ATOM 0 HG SER A 29 -25.195 -15.808 -18.108 1.00 23.03 H new ATOM 448 N LEU A 30 -22.236 -16.399 -14.192 1.00 25.14 N ATOM 449 CA LEU A 30 -21.360 -17.251 -13.409 1.00 2.02 C ATOM 450 C LEU A 30 -21.372 -16.802 -11.957 1.00 41.03 C ATOM 451 O LEU A 30 -21.651 -17.592 -11.054 1.00 23.41 O ATOM 452 CB LEU A 30 -19.935 -17.205 -13.990 1.00 13.31 C ATOM 453 CG LEU A 30 -18.971 -18.321 -13.547 1.00 3.13 C ATOM 454 CD1 LEU A 30 -18.510 -18.127 -12.111 1.00 33.24 C ATOM 455 CD2 LEU A 30 -19.622 -19.686 -13.717 1.00 60.11 C ATOM 0 H LEU A 30 -21.753 -15.823 -14.882 1.00 25.14 H new ATOM 0 HA LEU A 30 -21.715 -18.281 -13.452 1.00 2.02 H new ATOM 0 HB2 LEU A 30 -20.010 -17.232 -15.077 1.00 13.31 H new ATOM 0 HB3 LEU A 30 -19.490 -16.246 -13.725 1.00 13.31 H new ATOM 0 HG LEU A 30 -18.090 -18.269 -14.187 1.00 3.13 H new ATOM 0 HD11 LEU A 30 -17.831 -18.934 -11.835 1.00 33.24 H new ATOM 0 HD12 LEU A 30 -17.994 -17.171 -12.021 1.00 33.24 H new ATOM 0 HD13 LEU A 30 -19.374 -18.136 -11.447 1.00 33.24 H new ATOM 0 HD21 LEU A 30 -18.927 -20.463 -13.399 1.00 60.11 H new ATOM 0 HD22 LEU A 30 -20.525 -19.737 -13.109 1.00 60.11 H new ATOM 0 HD23 LEU A 30 -19.881 -19.838 -14.765 1.00 60.11 H new ATOM 467 N ARG A 31 -21.102 -15.524 -11.732 1.00 1.13 N ATOM 468 CA ARG A 31 -20.992 -15.029 -10.376 1.00 32.15 C ATOM 469 C ARG A 31 -22.343 -15.068 -9.670 1.00 71.00 C ATOM 470 O ARG A 31 -22.421 -15.490 -8.529 1.00 2.21 O ATOM 471 CB ARG A 31 -20.383 -13.619 -10.330 1.00 62.14 C ATOM 472 CG ARG A 31 -21.386 -12.482 -10.425 1.00 22.02 C ATOM 473 CD ARG A 31 -20.701 -11.127 -10.340 1.00 43.14 C ATOM 474 NE ARG A 31 -20.225 -10.860 -8.985 1.00 74.25 N ATOM 475 CZ ARG A 31 -19.135 -10.155 -8.686 1.00 54.12 C ATOM 476 NH1 ARG A 31 -18.397 -9.609 -9.644 1.00 44.50 N ATOM 477 NH2 ARG A 31 -18.788 -9.999 -7.414 1.00 13.43 N ATOM 0 H ARG A 31 -20.958 -14.825 -12.460 1.00 1.13 H new ATOM 0 HA ARG A 31 -20.311 -15.691 -9.842 1.00 32.15 H new ATOM 0 HB2 ARG A 31 -19.822 -13.512 -9.401 1.00 62.14 H new ATOM 0 HB3 ARG A 31 -19.668 -13.522 -11.147 1.00 62.14 H new ATOM 0 HG2 ARG A 31 -21.934 -12.556 -11.365 1.00 22.02 H new ATOM 0 HG3 ARG A 31 -22.117 -12.572 -9.622 1.00 22.02 H new ATOM 0 HD2 ARG A 31 -19.862 -11.096 -11.036 1.00 43.14 H new ATOM 0 HD3 ARG A 31 -21.397 -10.345 -10.645 1.00 43.14 H new ATOM 0 HE ARG A 31 -20.768 -11.242 -8.210 1.00 74.25 H new ATOM 0 HH11 ARG A 31 -18.662 -9.727 -10.622 1.00 44.50 H new ATOM 0 HH12 ARG A 31 -17.565 -9.071 -9.403 1.00 44.50 H new ATOM 0 HH21 ARG A 31 -19.354 -10.417 -6.676 1.00 13.43 H new ATOM 0 HH22 ARG A 31 -17.955 -9.461 -7.175 1.00 13.43 H new ATOM 491 N SER A 32 -23.412 -14.684 -10.357 1.00 11.31 N ATOM 492 CA SER A 32 -24.725 -14.613 -9.725 1.00 43.33 C ATOM 493 C SER A 32 -25.206 -15.992 -9.278 1.00 2.53 C ATOM 494 O SER A 32 -25.851 -16.128 -8.236 1.00 31.24 O ATOM 495 CB SER A 32 -25.737 -13.977 -10.673 1.00 75.05 C ATOM 496 OG SER A 32 -25.344 -12.658 -11.017 1.00 23.21 O ATOM 0 H SER A 32 -23.398 -14.419 -11.342 1.00 11.31 H new ATOM 0 HA SER A 32 -24.634 -13.989 -8.836 1.00 43.33 H new ATOM 0 HB2 SER A 32 -25.827 -14.582 -11.575 1.00 75.05 H new ATOM 0 HB3 SER A 32 -26.720 -13.958 -10.203 1.00 75.05 H new ATOM 0 HG SER A 32 -24.695 -12.691 -11.751 1.00 23.21 H new ATOM 502 N HIS A 33 -24.872 -17.015 -10.052 1.00 72.43 N ATOM 503 CA HIS A 33 -25.262 -18.375 -9.715 1.00 51.44 C ATOM 504 C HIS A 33 -24.344 -18.980 -8.656 1.00 51.54 C ATOM 505 O HIS A 33 -24.661 -20.018 -8.084 1.00 22.31 O ATOM 506 CB HIS A 33 -25.280 -19.263 -10.958 1.00 62.31 C ATOM 507 CG HIS A 33 -26.589 -19.256 -11.691 1.00 31.05 C ATOM 508 ND1 HIS A 33 -26.811 -18.436 -12.771 1.00 4.03 N ATOM 509 CD2 HIS A 33 -27.696 -20.003 -11.470 1.00 62.22 C ATOM 510 CE1 HIS A 33 -28.039 -18.702 -13.182 1.00 31.33 C ATOM 511 NE2 HIS A 33 -28.614 -19.647 -12.424 1.00 52.33 N ATOM 0 H HIS A 33 -24.334 -16.929 -10.914 1.00 72.43 H new ATOM 0 HA HIS A 33 -26.269 -18.325 -9.302 1.00 51.44 H new ATOM 0 HB2 HIS A 33 -24.493 -18.936 -11.637 1.00 62.31 H new ATOM 0 HB3 HIS A 33 -25.044 -20.286 -10.665 1.00 62.31 H new ATOM 0 HD1 HIS A 33 -26.161 -17.760 -13.173 1.00 4.03 H new ATOM 0 HD2 HIS A 33 -27.830 -20.739 -10.691 1.00 62.22 H new ATOM 0 HE1 HIS A 33 -28.518 -18.220 -14.021 1.00 31.33 H new ATOM 519 N PHE A 34 -23.211 -18.341 -8.391 1.00 31.24 N ATOM 520 CA PHE A 34 -22.295 -18.834 -7.368 1.00 21.41 C ATOM 521 C PHE A 34 -22.280 -17.951 -6.120 1.00 13.34 C ATOM 522 O PHE A 34 -21.927 -18.419 -5.037 1.00 43.33 O ATOM 523 CB PHE A 34 -20.881 -18.988 -7.929 1.00 35.10 C ATOM 524 CG PHE A 34 -20.667 -20.294 -8.640 1.00 62.11 C ATOM 525 CD1 PHE A 34 -20.269 -21.418 -7.935 1.00 20.20 C ATOM 526 CD2 PHE A 34 -20.876 -20.404 -10.003 1.00 51.50 C ATOM 527 CE1 PHE A 34 -20.085 -22.627 -8.576 1.00 65.45 C ATOM 528 CE2 PHE A 34 -20.690 -21.610 -10.651 1.00 23.42 C ATOM 529 CZ PHE A 34 -20.296 -22.723 -9.935 1.00 74.45 C ATOM 0 H PHE A 34 -22.906 -17.490 -8.864 1.00 31.24 H new ATOM 0 HA PHE A 34 -22.664 -19.814 -7.065 1.00 21.41 H new ATOM 0 HB2 PHE A 34 -20.679 -18.169 -8.619 1.00 35.10 H new ATOM 0 HB3 PHE A 34 -20.162 -18.903 -7.114 1.00 35.10 H new ATOM 0 HD1 PHE A 34 -20.100 -21.348 -6.871 1.00 20.20 H new ATOM 0 HD2 PHE A 34 -21.188 -19.537 -10.567 1.00 51.50 H new ATOM 0 HE1 PHE A 34 -19.776 -23.496 -8.014 1.00 65.45 H new ATOM 0 HE2 PHE A 34 -20.853 -21.682 -11.716 1.00 23.42 H new ATOM 0 HZ PHE A 34 -20.153 -23.667 -10.439 1.00 74.45 H new ATOM 539 N GLU A 35 -22.694 -16.691 -6.252 1.00 51.00 N ATOM 540 CA GLU A 35 -22.705 -15.757 -5.119 1.00 72.12 C ATOM 541 C GLU A 35 -23.862 -16.057 -4.166 1.00 42.03 C ATOM 542 O GLU A 35 -24.199 -15.250 -3.302 1.00 24.14 O ATOM 543 CB GLU A 35 -22.777 -14.299 -5.595 1.00 30.32 C ATOM 544 CG GLU A 35 -21.484 -13.794 -6.211 1.00 15.11 C ATOM 545 CD GLU A 35 -21.515 -12.323 -6.557 1.00 75.12 C ATOM 546 OE1 GLU A 35 -20.715 -11.557 -5.982 1.00 12.15 O ATOM 547 OE2 GLU A 35 -22.320 -11.923 -7.421 1.00 31.23 O ATOM 0 H GLU A 35 -23.026 -16.291 -7.129 1.00 51.00 H new ATOM 0 HA GLU A 35 -21.768 -15.895 -4.580 1.00 72.12 H new ATOM 0 HB2 GLU A 35 -23.579 -14.204 -6.327 1.00 30.32 H new ATOM 0 HB3 GLU A 35 -23.039 -13.663 -4.750 1.00 30.32 H new ATOM 0 HG2 GLU A 35 -20.664 -13.979 -5.517 1.00 15.11 H new ATOM 0 HG3 GLU A 35 -21.273 -14.367 -7.114 1.00 15.11 H new ATOM 554 N GLN A 36 -24.447 -17.234 -4.319 1.00 53.45 N ATOM 555 CA GLN A 36 -25.542 -17.670 -3.469 1.00 53.11 C ATOM 556 C GLN A 36 -25.011 -18.351 -2.214 1.00 42.35 C ATOM 557 O GLN A 36 -25.607 -18.259 -1.142 1.00 13.21 O ATOM 558 CB GLN A 36 -26.438 -18.638 -4.233 1.00 70.41 C ATOM 559 CG GLN A 36 -27.297 -17.975 -5.295 1.00 45.51 C ATOM 560 CD GLN A 36 -28.024 -18.985 -6.159 1.00 12.40 C ATOM 561 OE1 GLN A 36 -29.147 -19.387 -5.864 1.00 14.43 O ATOM 562 NE2 GLN A 36 -27.377 -19.411 -7.229 1.00 31.30 N ATOM 0 H GLN A 36 -24.177 -17.911 -5.033 1.00 53.45 H new ATOM 0 HA GLN A 36 -26.119 -16.793 -3.175 1.00 53.11 H new ATOM 0 HB2 GLN A 36 -25.815 -19.398 -4.706 1.00 70.41 H new ATOM 0 HB3 GLN A 36 -27.087 -19.153 -3.525 1.00 70.41 H new ATOM 0 HG2 GLN A 36 -28.024 -17.321 -4.815 1.00 45.51 H new ATOM 0 HG3 GLN A 36 -26.670 -17.345 -5.926 1.00 45.51 H new ATOM 0 HE21 GLN A 36 -26.446 -19.052 -7.438 1.00 31.30 H new ATOM 0 HE22 GLN A 36 -27.809 -20.099 -7.846 1.00 31.30 H new ATOM 571 N TRP A 37 -23.881 -19.028 -2.357 1.00 71.15 N ATOM 572 CA TRP A 37 -23.291 -19.772 -1.254 1.00 61.24 C ATOM 573 C TRP A 37 -22.094 -19.027 -0.686 1.00 33.01 C ATOM 574 O TRP A 37 -21.340 -19.564 0.123 1.00 70.44 O ATOM 575 CB TRP A 37 -22.876 -21.172 -1.716 1.00 55.25 C ATOM 576 CG TRP A 37 -24.038 -22.022 -2.135 1.00 3.13 C ATOM 577 CD1 TRP A 37 -24.739 -22.892 -1.352 1.00 1.34 C ATOM 578 CD2 TRP A 37 -24.641 -22.081 -3.433 1.00 72.31 C ATOM 579 NE1 TRP A 37 -25.740 -23.482 -2.079 1.00 52.34 N ATOM 580 CE2 TRP A 37 -25.702 -23.003 -3.358 1.00 23.31 C ATOM 581 CE3 TRP A 37 -24.390 -21.445 -4.648 1.00 50.03 C ATOM 582 CZ2 TRP A 37 -26.508 -23.302 -4.452 1.00 65.44 C ATOM 583 CZ3 TRP A 37 -25.191 -21.744 -5.731 1.00 25.43 C ATOM 584 CH2 TRP A 37 -26.239 -22.664 -5.627 1.00 63.21 C ATOM 0 H TRP A 37 -23.353 -19.077 -3.228 1.00 71.15 H new ATOM 0 HA TRP A 37 -24.039 -19.872 -0.468 1.00 61.24 H new ATOM 0 HB2 TRP A 37 -22.180 -21.081 -2.550 1.00 55.25 H new ATOM 0 HB3 TRP A 37 -22.341 -21.671 -0.908 1.00 55.25 H new ATOM 0 HD1 TRP A 37 -24.535 -23.088 -0.310 1.00 1.34 H new ATOM 0 HE1 TRP A 37 -26.406 -24.168 -1.723 1.00 52.34 H new ATOM 0 HE3 TRP A 37 -23.584 -20.732 -4.740 1.00 50.03 H new ATOM 0 HZ2 TRP A 37 -27.317 -24.013 -4.374 1.00 65.44 H new ATOM 0 HZ3 TRP A 37 -25.005 -21.258 -6.677 1.00 25.43 H new ATOM 0 HH2 TRP A 37 -26.847 -22.873 -6.494 1.00 63.21 H new ATOM 595 N GLY A 38 -21.932 -17.780 -1.102 1.00 12.20 N ATOM 596 CA GLY A 38 -20.828 -16.982 -0.613 1.00 23.11 C ATOM 597 C GLY A 38 -20.608 -15.729 -1.429 1.00 25.24 C ATOM 598 O GLY A 38 -21.453 -15.354 -2.241 1.00 62.24 O ATOM 0 H GLY A 38 -22.544 -17.308 -1.768 1.00 12.20 H new ATOM 0 HA2 GLY A 38 -21.016 -16.707 0.425 1.00 23.11 H new ATOM 0 HA3 GLY A 38 -19.918 -17.582 -0.624 1.00 23.11 H new ATOM 602 N THR A 39 -19.471 -15.092 -1.218 1.00 31.31 N ATOM 603 CA THR A 39 -19.133 -13.857 -1.903 1.00 44.00 C ATOM 604 C THR A 39 -17.987 -14.087 -2.878 1.00 22.43 C ATOM 605 O THR A 39 -16.915 -14.527 -2.482 1.00 53.34 O ATOM 606 CB THR A 39 -18.732 -12.770 -0.886 1.00 71.13 C ATOM 607 OG1 THR A 39 -19.876 -12.366 -0.118 1.00 3.15 O ATOM 608 CG2 THR A 39 -18.111 -11.565 -1.579 1.00 73.31 C ATOM 0 H THR A 39 -18.756 -15.416 -0.567 1.00 31.31 H new ATOM 0 HA THR A 39 -20.011 -13.523 -2.456 1.00 44.00 H new ATOM 0 HB THR A 39 -17.983 -13.194 -0.217 1.00 71.13 H new ATOM 0 HG1 THR A 39 -19.611 -11.677 0.526 1.00 3.15 H new ATOM 0 HG21 THR A 39 -17.839 -10.817 -0.834 1.00 73.31 H new ATOM 0 HG22 THR A 39 -17.219 -11.877 -2.122 1.00 73.31 H new ATOM 0 HG23 THR A 39 -18.830 -11.137 -2.278 1.00 73.31 H new ATOM 616 N LEU A 40 -18.206 -13.799 -4.153 1.00 13.11 N ATOM 617 CA LEU A 40 -17.160 -13.986 -5.139 1.00 71.10 C ATOM 618 C LEU A 40 -16.345 -12.714 -5.274 1.00 44.22 C ATOM 619 O LEU A 40 -16.857 -11.675 -5.691 1.00 20.35 O ATOM 620 CB LEU A 40 -17.726 -14.381 -6.507 1.00 35.21 C ATOM 621 CG LEU A 40 -18.297 -15.795 -6.635 1.00 0.34 C ATOM 622 CD1 LEU A 40 -19.204 -16.185 -5.492 1.00 53.30 C ATOM 623 CD2 LEU A 40 -19.037 -15.924 -7.952 1.00 72.31 C ATOM 0 H LEU A 40 -19.087 -13.440 -4.522 1.00 13.11 H new ATOM 0 HA LEU A 40 -16.524 -14.801 -4.793 1.00 71.10 H new ATOM 0 HB2 LEU A 40 -18.512 -13.672 -6.767 1.00 35.21 H new ATOM 0 HB3 LEU A 40 -16.935 -14.266 -7.248 1.00 35.21 H new ATOM 0 HG LEU A 40 -17.451 -16.482 -6.602 1.00 0.34 H new ATOM 0 HD11 LEU A 40 -19.572 -17.199 -5.649 1.00 53.30 H new ATOM 0 HD12 LEU A 40 -18.648 -16.142 -4.555 1.00 53.30 H new ATOM 0 HD13 LEU A 40 -20.047 -15.496 -5.445 1.00 53.30 H new ATOM 0 HD21 LEU A 40 -19.444 -16.931 -8.044 1.00 72.31 H new ATOM 0 HD22 LEU A 40 -19.851 -15.200 -7.985 1.00 72.31 H new ATOM 0 HD23 LEU A 40 -18.349 -15.734 -8.776 1.00 72.31 H new ATOM 635 N THR A 41 -15.086 -12.794 -4.894 1.00 11.10 N ATOM 636 CA THR A 41 -14.175 -11.678 -5.038 1.00 22.51 C ATOM 637 C THR A 41 -13.645 -11.640 -6.463 1.00 50.12 C ATOM 638 O THR A 41 -13.241 -10.593 -6.976 1.00 32.31 O ATOM 639 CB THR A 41 -13.002 -11.801 -4.049 1.00 11.54 C ATOM 640 OG1 THR A 41 -12.251 -12.995 -4.322 1.00 53.41 O ATOM 641 CG2 THR A 41 -13.515 -11.847 -2.618 1.00 75.14 C ATOM 0 H THR A 41 -14.668 -13.627 -4.480 1.00 11.10 H new ATOM 0 HA THR A 41 -14.713 -10.755 -4.820 1.00 22.51 H new ATOM 0 HB THR A 41 -12.359 -10.929 -4.170 1.00 11.54 H new ATOM 0 HG1 THR A 41 -11.670 -12.846 -5.097 1.00 53.41 H new ATOM 0 HG21 THR A 41 -12.672 -11.934 -1.932 1.00 75.14 H new ATOM 0 HG22 THR A 41 -14.067 -10.933 -2.400 1.00 75.14 H new ATOM 0 HG23 THR A 41 -14.173 -12.707 -2.495 1.00 75.14 H new ATOM 649 N ASP A 42 -13.674 -12.807 -7.092 1.00 33.33 N ATOM 650 CA ASP A 42 -13.201 -12.979 -8.453 1.00 23.42 C ATOM 651 C ASP A 42 -14.119 -13.952 -9.175 1.00 65.24 C ATOM 652 O ASP A 42 -14.418 -15.026 -8.659 1.00 72.43 O ATOM 653 CB ASP A 42 -11.769 -13.532 -8.477 1.00 24.34 C ATOM 654 CG ASP A 42 -10.764 -12.652 -7.760 1.00 1.11 C ATOM 655 OD1 ASP A 42 -10.102 -11.828 -8.428 1.00 21.11 O ATOM 656 OD2 ASP A 42 -10.619 -12.790 -6.526 1.00 62.44 O ATOM 0 H ASP A 42 -14.029 -13.664 -6.667 1.00 33.33 H new ATOM 0 HA ASP A 42 -13.204 -12.007 -8.946 1.00 23.42 H new ATOM 0 HB2 ASP A 42 -11.763 -14.522 -8.020 1.00 24.34 H new ATOM 0 HB3 ASP A 42 -11.455 -13.658 -9.513 1.00 24.34 H new ATOM 661 N CYS A 43 -14.574 -13.578 -10.350 1.00 61.25 N ATOM 662 CA CYS A 43 -15.445 -14.434 -11.134 1.00 30.34 C ATOM 663 C CYS A 43 -15.131 -14.248 -12.609 1.00 31.12 C ATOM 664 O CYS A 43 -14.811 -13.139 -13.040 1.00 53.24 O ATOM 665 CB CYS A 43 -16.909 -14.101 -10.836 1.00 54.31 C ATOM 666 SG CYS A 43 -17.389 -12.417 -11.291 1.00 24.11 S ATOM 0 H CYS A 43 -14.356 -12.683 -10.788 1.00 61.25 H new ATOM 0 HA CYS A 43 -15.277 -15.478 -10.869 1.00 30.34 H new ATOM 0 HB2 CYS A 43 -17.547 -14.806 -11.369 1.00 54.31 H new ATOM 0 HB3 CYS A 43 -17.094 -14.245 -9.772 1.00 54.31 H new ATOM 0 HG CYS A 43 -17.498 -12.331 -12.584 1.00 24.11 H new ATOM 672 N VAL A 44 -15.183 -15.322 -13.382 1.00 54.23 N ATOM 673 CA VAL A 44 -14.837 -15.231 -14.791 1.00 31.11 C ATOM 674 C VAL A 44 -15.263 -16.476 -15.558 1.00 33.41 C ATOM 675 O VAL A 44 -15.383 -17.563 -14.996 1.00 24.35 O ATOM 676 CB VAL A 44 -13.315 -15.027 -14.966 1.00 34.44 C ATOM 677 CG1 VAL A 44 -12.556 -16.296 -14.601 1.00 63.34 C ATOM 678 CG2 VAL A 44 -12.977 -14.580 -16.381 1.00 33.24 C ATOM 0 H VAL A 44 -15.457 -16.252 -13.064 1.00 54.23 H new ATOM 0 HA VAL A 44 -15.373 -14.372 -15.196 1.00 31.11 H new ATOM 0 HB VAL A 44 -13.003 -14.235 -14.285 1.00 34.44 H new ATOM 0 HG11 VAL A 44 -11.487 -16.131 -14.731 1.00 63.34 H new ATOM 0 HG12 VAL A 44 -12.759 -16.555 -13.562 1.00 63.34 H new ATOM 0 HG13 VAL A 44 -12.878 -17.112 -15.248 1.00 63.34 H new ATOM 0 HG21 VAL A 44 -11.899 -14.445 -16.472 1.00 33.24 H new ATOM 0 HG22 VAL A 44 -13.309 -15.337 -17.091 1.00 33.24 H new ATOM 0 HG23 VAL A 44 -13.480 -13.637 -16.595 1.00 33.24 H new ATOM 688 N VAL A 45 -15.512 -16.292 -16.839 1.00 62.41 N ATOM 689 CA VAL A 45 -15.709 -17.390 -17.761 1.00 61.23 C ATOM 690 C VAL A 45 -14.663 -17.275 -18.862 1.00 74.43 C ATOM 691 O VAL A 45 -14.342 -16.167 -19.288 1.00 60.44 O ATOM 692 CB VAL A 45 -17.124 -17.358 -18.385 1.00 35.12 C ATOM 693 CG1 VAL A 45 -17.331 -18.529 -19.329 1.00 73.30 C ATOM 694 CG2 VAL A 45 -18.192 -17.348 -17.302 1.00 45.01 C ATOM 0 H VAL A 45 -15.584 -15.371 -17.271 1.00 62.41 H new ATOM 0 HA VAL A 45 -15.608 -18.332 -17.222 1.00 61.23 H new ATOM 0 HB VAL A 45 -17.213 -16.438 -18.963 1.00 35.12 H new ATOM 0 HG11 VAL A 45 -18.334 -18.481 -19.753 1.00 73.30 H new ATOM 0 HG12 VAL A 45 -16.595 -18.484 -20.132 1.00 73.30 H new ATOM 0 HG13 VAL A 45 -17.213 -19.464 -18.781 1.00 73.30 H new ATOM 0 HG21 VAL A 45 -19.179 -17.325 -17.764 1.00 45.01 H new ATOM 0 HG22 VAL A 45 -18.098 -18.245 -16.690 1.00 45.01 H new ATOM 0 HG23 VAL A 45 -18.065 -16.466 -16.674 1.00 45.01 H new ATOM 704 N MET A 46 -14.095 -18.387 -19.304 1.00 10.11 N ATOM 705 CA MET A 46 -13.137 -18.328 -20.397 1.00 40.51 C ATOM 706 C MET A 46 -13.889 -18.277 -21.712 1.00 61.10 C ATOM 707 O MET A 46 -14.896 -18.960 -21.885 1.00 35.11 O ATOM 708 CB MET A 46 -12.152 -19.505 -20.372 1.00 10.24 C ATOM 709 CG MET A 46 -11.320 -19.562 -19.112 1.00 70.14 C ATOM 710 SD MET A 46 -10.457 -18.024 -18.793 1.00 55.14 S ATOM 711 CE MET A 46 -9.599 -18.494 -17.305 1.00 5.04 C ATOM 0 H MET A 46 -14.275 -19.320 -18.933 1.00 10.11 H new ATOM 0 HA MET A 46 -12.538 -17.425 -20.280 1.00 40.51 H new ATOM 0 HB2 MET A 46 -12.708 -20.437 -20.474 1.00 10.24 H new ATOM 0 HB3 MET A 46 -11.489 -19.433 -21.234 1.00 10.24 H new ATOM 0 HG2 MET A 46 -11.964 -19.796 -18.265 1.00 70.14 H new ATOM 0 HG3 MET A 46 -10.595 -20.372 -19.195 1.00 70.14 H new ATOM 0 HE1 MET A 46 -8.668 -17.932 -17.229 1.00 5.04 H new ATOM 0 HE2 MET A 46 -10.226 -18.277 -16.440 1.00 5.04 H new ATOM 0 HE3 MET A 46 -9.377 -19.561 -17.334 1.00 5.04 H new ATOM 856 N ARG A 55 -16.156 -20.623 -23.577 1.00 51.14 N ATOM 857 CA ARG A 55 -15.433 -21.854 -23.840 1.00 44.52 C ATOM 858 C ARG A 55 -16.021 -23.011 -23.045 1.00 73.54 C ATOM 859 O ARG A 55 -15.418 -24.078 -22.951 1.00 2.34 O ATOM 860 CB ARG A 55 -13.952 -21.685 -23.513 1.00 43.12 C ATOM 861 CG ARG A 55 -13.089 -21.455 -24.741 1.00 11.10 C ATOM 862 CD ARG A 55 -11.611 -21.394 -24.390 1.00 12.51 C ATOM 863 NE ARG A 55 -11.169 -22.583 -23.658 1.00 51.44 N ATOM 864 CZ ARG A 55 -10.180 -23.383 -24.058 1.00 14.13 C ATOM 865 NH1 ARG A 55 -9.612 -23.200 -25.244 1.00 44.54 N ATOM 866 NH2 ARG A 55 -9.786 -24.390 -23.283 1.00 12.30 N ATOM 0 HA ARG A 55 -15.532 -22.084 -24.901 1.00 44.52 H new ATOM 0 HB2 ARG A 55 -13.831 -20.844 -22.830 1.00 43.12 H new ATOM 0 HB3 ARG A 55 -13.599 -22.574 -22.990 1.00 43.12 H new ATOM 0 HG2 ARG A 55 -13.259 -22.257 -25.460 1.00 11.10 H new ATOM 0 HG3 ARG A 55 -13.386 -20.525 -25.225 1.00 11.10 H new ATOM 0 HD2 ARG A 55 -11.026 -21.293 -25.304 1.00 12.51 H new ATOM 0 HD3 ARG A 55 -11.418 -20.506 -23.788 1.00 12.51 H new ATOM 0 HE ARG A 55 -11.648 -22.814 -22.787 1.00 51.44 H new ATOM 0 HH11 ARG A 55 -9.932 -22.446 -25.852 1.00 44.54 H new ATOM 0 HH12 ARG A 55 -8.856 -23.813 -25.547 1.00 44.54 H new ATOM 0 HH21 ARG A 55 -10.240 -24.550 -22.384 1.00 12.30 H new ATOM 0 HH22 ARG A 55 -9.030 -25.003 -23.588 1.00 12.30 H new ATOM 880 N GLY A 56 -17.195 -22.789 -22.466 1.00 23.24 N ATOM 881 CA GLY A 56 -17.903 -23.861 -21.791 1.00 63.31 C ATOM 882 C GLY A 56 -17.366 -24.157 -20.403 1.00 12.44 C ATOM 883 O GLY A 56 -17.619 -25.232 -19.848 1.00 24.53 O ATOM 0 H GLY A 56 -17.669 -21.886 -22.452 1.00 23.24 H new ATOM 0 HA2 GLY A 56 -18.958 -23.599 -21.716 1.00 63.31 H new ATOM 0 HA3 GLY A 56 -17.842 -24.765 -22.397 1.00 63.31 H new ATOM 887 N PHE A 57 -16.640 -23.202 -19.832 1.00 61.31 N ATOM 888 CA PHE A 57 -16.124 -23.340 -18.476 1.00 2.13 C ATOM 889 C PHE A 57 -15.634 -21.991 -17.957 1.00 25.24 C ATOM 890 O PHE A 57 -15.381 -21.068 -18.736 1.00 72.35 O ATOM 891 CB PHE A 57 -14.992 -24.379 -18.413 1.00 74.13 C ATOM 892 CG PHE A 57 -13.688 -23.905 -18.983 1.00 52.31 C ATOM 893 CD1 PHE A 57 -12.635 -23.571 -18.148 1.00 72.54 C ATOM 894 CD2 PHE A 57 -13.519 -23.779 -20.348 1.00 50.05 C ATOM 895 CE1 PHE A 57 -11.440 -23.121 -18.667 1.00 42.25 C ATOM 896 CE2 PHE A 57 -12.325 -23.335 -20.873 1.00 2.12 C ATOM 897 CZ PHE A 57 -11.285 -23.003 -20.032 1.00 43.24 C ATOM 0 H PHE A 57 -16.396 -22.323 -20.288 1.00 61.31 H new ATOM 0 HA PHE A 57 -16.937 -23.690 -17.841 1.00 2.13 H new ATOM 0 HB2 PHE A 57 -14.837 -24.668 -17.374 1.00 74.13 H new ATOM 0 HB3 PHE A 57 -15.306 -25.274 -18.950 1.00 74.13 H new ATOM 0 HD1 PHE A 57 -12.751 -23.664 -17.078 1.00 72.54 H new ATOM 0 HD2 PHE A 57 -14.333 -24.032 -21.012 1.00 50.05 H new ATOM 0 HE1 PHE A 57 -10.627 -22.861 -18.006 1.00 42.25 H new ATOM 0 HE2 PHE A 57 -12.204 -23.247 -21.943 1.00 2.12 H new ATOM 0 HZ PHE A 57 -10.350 -22.651 -20.442 1.00 43.24 H new ATOM 907 N GLY A 58 -15.501 -21.883 -16.646 1.00 64.14 N ATOM 908 CA GLY A 58 -15.070 -20.646 -16.038 1.00 0.32 C ATOM 909 C GLY A 58 -14.489 -20.859 -14.657 1.00 53.34 C ATOM 910 O GLY A 58 -14.228 -21.993 -14.251 1.00 11.23 O ATOM 0 H GLY A 58 -15.686 -22.639 -15.987 1.00 64.14 H new ATOM 0 HA2 GLY A 58 -14.324 -20.171 -16.675 1.00 0.32 H new ATOM 0 HA3 GLY A 58 -15.916 -19.961 -15.973 1.00 0.32 H new ATOM 914 N PHE A 59 -14.297 -19.768 -13.933 1.00 41.40 N ATOM 915 CA PHE A 59 -13.714 -19.818 -12.603 1.00 11.23 C ATOM 916 C PHE A 59 -14.466 -18.906 -11.651 1.00 34.10 C ATOM 917 O PHE A 59 -15.067 -17.911 -12.060 1.00 24.22 O ATOM 918 CB PHE A 59 -12.242 -19.408 -12.635 1.00 51.05 C ATOM 919 CG PHE A 59 -11.342 -20.407 -13.297 1.00 52.33 C ATOM 920 CD1 PHE A 59 -10.873 -21.504 -12.595 1.00 33.15 C ATOM 921 CD2 PHE A 59 -10.951 -20.243 -14.613 1.00 11.50 C ATOM 922 CE1 PHE A 59 -10.032 -22.417 -13.195 1.00 24.30 C ATOM 923 CE2 PHE A 59 -10.112 -21.156 -15.221 1.00 71.33 C ATOM 924 CZ PHE A 59 -9.652 -22.243 -14.510 1.00 31.11 C ATOM 0 H PHE A 59 -14.539 -18.829 -14.249 1.00 41.40 H new ATOM 0 HA PHE A 59 -13.790 -20.847 -12.251 1.00 11.23 H new ATOM 0 HB2 PHE A 59 -12.153 -18.454 -13.155 1.00 51.05 H new ATOM 0 HB3 PHE A 59 -11.899 -19.247 -11.613 1.00 51.05 H new ATOM 0 HD1 PHE A 59 -11.169 -21.646 -11.566 1.00 33.15 H new ATOM 0 HD2 PHE A 59 -11.306 -19.390 -15.172 1.00 11.50 H new ATOM 0 HE1 PHE A 59 -9.671 -23.268 -12.636 1.00 24.30 H new ATOM 0 HE2 PHE A 59 -9.817 -21.018 -16.251 1.00 71.33 H new ATOM 0 HZ PHE A 59 -8.994 -22.958 -14.982 1.00 31.11 H new ATOM 934 N VAL A 60 -14.405 -19.244 -10.381 1.00 12.24 N ATOM 935 CA VAL A 60 -15.093 -18.495 -9.346 1.00 71.30 C ATOM 936 C VAL A 60 -14.291 -18.532 -8.056 1.00 75.52 C ATOM 937 O VAL A 60 -13.936 -19.595 -7.569 1.00 11.33 O ATOM 938 CB VAL A 60 -16.519 -19.038 -9.114 1.00 22.12 C ATOM 939 CG1 VAL A 60 -16.537 -20.546 -9.037 1.00 41.54 C ATOM 940 CG2 VAL A 60 -17.102 -18.452 -7.856 1.00 65.04 C ATOM 0 H VAL A 60 -13.878 -20.045 -10.035 1.00 12.24 H new ATOM 0 HA VAL A 60 -15.183 -17.461 -9.678 1.00 71.30 H new ATOM 0 HB VAL A 60 -17.127 -18.739 -9.968 1.00 22.12 H new ATOM 0 HG11 VAL A 60 -17.558 -20.890 -8.873 1.00 41.54 H new ATOM 0 HG12 VAL A 60 -16.159 -20.963 -9.971 1.00 41.54 H new ATOM 0 HG13 VAL A 60 -15.906 -20.876 -8.211 1.00 41.54 H new ATOM 0 HG21 VAL A 60 -18.108 -18.843 -7.704 1.00 65.04 H new ATOM 0 HG22 VAL A 60 -16.476 -18.721 -7.005 1.00 65.04 H new ATOM 0 HG23 VAL A 60 -17.145 -17.367 -7.946 1.00 65.04 H new ATOM 950 N THR A 61 -13.980 -17.367 -7.526 1.00 54.25 N ATOM 951 CA THR A 61 -13.200 -17.278 -6.308 1.00 61.43 C ATOM 952 C THR A 61 -14.026 -16.650 -5.199 1.00 75.42 C ATOM 953 O THR A 61 -14.463 -15.504 -5.315 1.00 14.21 O ATOM 954 CB THR A 61 -11.928 -16.450 -6.532 1.00 3.50 C ATOM 955 OG1 THR A 61 -11.314 -16.855 -7.766 1.00 41.21 O ATOM 956 CG2 THR A 61 -10.948 -16.632 -5.385 1.00 32.41 C ATOM 0 H THR A 61 -14.256 -16.467 -7.920 1.00 54.25 H new ATOM 0 HA THR A 61 -12.913 -18.289 -6.018 1.00 61.43 H new ATOM 0 HB THR A 61 -12.200 -15.396 -6.579 1.00 3.50 H new ATOM 0 HG1 THR A 61 -11.861 -16.549 -8.519 1.00 41.21 H new ATOM 0 HG21 THR A 61 -10.056 -16.034 -5.570 1.00 32.41 H new ATOM 0 HG22 THR A 61 -11.414 -16.310 -4.454 1.00 32.41 H new ATOM 0 HG23 THR A 61 -10.670 -17.683 -5.307 1.00 32.41 H new ATOM 964 N TYR A 62 -14.250 -17.409 -4.143 1.00 40.22 N ATOM 965 CA TYR A 62 -15.027 -16.933 -3.013 1.00 71.30 C ATOM 966 C TYR A 62 -14.152 -16.132 -2.057 1.00 42.15 C ATOM 967 O TYR A 62 -12.931 -16.083 -2.214 1.00 75.25 O ATOM 968 CB TYR A 62 -15.662 -18.112 -2.276 1.00 63.13 C ATOM 969 CG TYR A 62 -16.837 -18.730 -3.000 1.00 63.33 C ATOM 970 CD1 TYR A 62 -18.126 -18.290 -2.748 1.00 21.03 C ATOM 971 CD2 TYR A 62 -16.663 -19.757 -3.921 1.00 33.43 C ATOM 972 CE1 TYR A 62 -19.211 -18.853 -3.386 1.00 74.13 C ATOM 973 CE2 TYR A 62 -17.745 -20.324 -4.570 1.00 60.44 C ATOM 974 CZ TYR A 62 -19.016 -19.868 -4.294 1.00 74.21 C ATOM 975 OH TYR A 62 -20.098 -20.426 -4.929 1.00 3.41 O ATOM 0 H TYR A 62 -13.903 -18.363 -4.044 1.00 40.22 H new ATOM 0 HA TYR A 62 -15.816 -16.281 -3.389 1.00 71.30 H new ATOM 0 HB2 TYR A 62 -14.903 -18.878 -2.116 1.00 63.13 H new ATOM 0 HB3 TYR A 62 -15.990 -17.778 -1.292 1.00 63.13 H new ATOM 0 HD1 TYR A 62 -18.284 -17.491 -2.039 1.00 21.03 H new ATOM 0 HD2 TYR A 62 -15.667 -20.118 -4.133 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -20.209 -18.499 -3.174 1.00 74.13 H new ATOM 0 HE2 TYR A 62 -17.595 -21.118 -5.287 1.00 60.44 H new ATOM 0 HH TYR A 62 -20.805 -19.754 -5.021 1.00 3.41 H new ATOM 985 N ALA A 63 -14.781 -15.518 -1.063 1.00 34.34 N ATOM 986 CA ALA A 63 -14.067 -14.697 -0.098 1.00 73.03 C ATOM 987 C ALA A 63 -13.252 -15.583 0.829 1.00 71.22 C ATOM 988 O ALA A 63 -12.181 -15.202 1.308 1.00 25.32 O ATOM 989 CB ALA A 63 -15.043 -13.841 0.695 1.00 41.21 C ATOM 0 H ALA A 63 -15.787 -15.574 -0.905 1.00 34.34 H new ATOM 0 HA ALA A 63 -13.388 -14.031 -0.631 1.00 73.03 H new ATOM 0 HB1 ALA A 63 -14.493 -13.232 1.413 1.00 41.21 H new ATOM 0 HB2 ALA A 63 -15.593 -13.191 0.014 1.00 41.21 H new ATOM 0 HB3 ALA A 63 -15.743 -14.485 1.227 1.00 41.21 H new ATOM 995 N THR A 64 -13.775 -16.774 1.064 1.00 53.54 N ATOM 996 CA THR A 64 -13.109 -17.762 1.884 1.00 15.41 C ATOM 997 C THR A 64 -13.460 -19.158 1.384 1.00 24.01 C ATOM 998 O THR A 64 -14.497 -19.357 0.746 1.00 54.41 O ATOM 999 CB THR A 64 -13.486 -17.602 3.377 1.00 11.41 C ATOM 1000 OG1 THR A 64 -12.923 -18.662 4.160 1.00 64.12 O ATOM 1001 CG2 THR A 64 -14.992 -17.576 3.565 1.00 52.24 C ATOM 0 H THR A 64 -14.673 -17.080 0.690 1.00 53.54 H new ATOM 0 HA THR A 64 -12.032 -17.613 1.804 1.00 15.41 H new ATOM 0 HB THR A 64 -13.076 -16.651 3.716 1.00 11.41 H new ATOM 0 HG1 THR A 64 -13.171 -18.542 5.100 1.00 64.12 H new ATOM 0 HG21 THR A 64 -15.225 -17.463 4.624 1.00 52.24 H new ATOM 0 HG22 THR A 64 -15.414 -16.738 3.009 1.00 52.24 H new ATOM 0 HG23 THR A 64 -15.421 -18.508 3.197 1.00 52.24 H new ATOM 1009 N VAL A 65 -12.589 -20.117 1.662 1.00 71.04 N ATOM 1010 CA VAL A 65 -12.764 -21.485 1.191 1.00 24.31 C ATOM 1011 C VAL A 65 -13.999 -22.142 1.801 1.00 74.32 C ATOM 1012 O VAL A 65 -14.507 -23.132 1.278 1.00 65.33 O ATOM 1013 CB VAL A 65 -11.518 -22.341 1.489 1.00 40.20 C ATOM 1014 CG1 VAL A 65 -10.315 -21.798 0.739 1.00 14.24 C ATOM 1015 CG2 VAL A 65 -11.239 -22.387 2.982 1.00 44.25 C ATOM 0 H VAL A 65 -11.746 -19.971 2.217 1.00 71.04 H new ATOM 0 HA VAL A 65 -12.905 -21.429 0.112 1.00 24.31 H new ATOM 0 HB VAL A 65 -11.711 -23.358 1.149 1.00 40.20 H new ATOM 0 HG11 VAL A 65 -9.442 -22.412 0.959 1.00 14.24 H new ATOM 0 HG12 VAL A 65 -10.514 -21.820 -0.332 1.00 14.24 H new ATOM 0 HG13 VAL A 65 -10.124 -20.771 1.052 1.00 14.24 H new ATOM 0 HG21 VAL A 65 -10.355 -22.997 3.168 1.00 44.25 H new ATOM 0 HG22 VAL A 65 -11.067 -21.376 3.351 1.00 44.25 H new ATOM 0 HG23 VAL A 65 -12.095 -22.821 3.499 1.00 44.25 H new ATOM 1025 N GLU A 66 -14.485 -21.576 2.901 1.00 51.04 N ATOM 1026 CA GLU A 66 -15.699 -22.060 3.544 1.00 52.01 C ATOM 1027 C GLU A 66 -16.898 -21.892 2.616 1.00 72.54 C ATOM 1028 O GLU A 66 -17.833 -22.694 2.634 1.00 42.45 O ATOM 1029 CB GLU A 66 -15.935 -21.306 4.851 1.00 34.52 C ATOM 1030 CG GLU A 66 -14.831 -21.514 5.875 1.00 33.44 C ATOM 1031 CD GLU A 66 -14.779 -22.936 6.396 1.00 61.02 C ATOM 1032 OE1 GLU A 66 -15.456 -23.224 7.406 1.00 43.45 O ATOM 1033 OE2 GLU A 66 -14.059 -23.772 5.806 1.00 55.24 O ATOM 0 H GLU A 66 -14.053 -20.778 3.367 1.00 51.04 H new ATOM 0 HA GLU A 66 -15.578 -23.121 3.764 1.00 52.01 H new ATOM 0 HB2 GLU A 66 -16.026 -20.241 4.636 1.00 34.52 H new ATOM 0 HB3 GLU A 66 -16.884 -21.626 5.281 1.00 34.52 H new ATOM 0 HG2 GLU A 66 -13.871 -21.261 5.425 1.00 33.44 H new ATOM 0 HG3 GLU A 66 -14.982 -20.830 6.710 1.00 33.44 H new ATOM 1040 N GLU A 67 -16.853 -20.855 1.792 1.00 32.30 N ATOM 1041 CA GLU A 67 -17.919 -20.596 0.839 1.00 12.43 C ATOM 1042 C GLU A 67 -17.779 -21.535 -0.355 1.00 13.21 C ATOM 1043 O GLU A 67 -18.769 -21.971 -0.941 1.00 11.00 O ATOM 1044 CB GLU A 67 -17.879 -19.139 0.387 1.00 53.22 C ATOM 1045 CG GLU A 67 -17.679 -18.164 1.531 1.00 51.12 C ATOM 1046 CD GLU A 67 -17.858 -16.720 1.117 1.00 72.00 C ATOM 1047 OE1 GLU A 67 -17.269 -16.312 0.099 1.00 20.53 O ATOM 1048 OE2 GLU A 67 -18.583 -15.986 1.820 1.00 30.25 O ATOM 0 H GLU A 67 -16.089 -20.180 1.765 1.00 32.30 H new ATOM 0 HA GLU A 67 -18.881 -20.778 1.317 1.00 12.43 H new ATOM 0 HB2 GLU A 67 -17.073 -19.012 -0.336 1.00 53.22 H new ATOM 0 HB3 GLU A 67 -18.809 -18.899 -0.128 1.00 53.22 H new ATOM 0 HG2 GLU A 67 -18.385 -18.398 2.328 1.00 51.12 H new ATOM 0 HG3 GLU A 67 -16.679 -18.296 1.943 1.00 51.12 H new ATOM 1055 N VAL A 68 -16.532 -21.844 -0.698 1.00 63.54 N ATOM 1056 CA VAL A 68 -16.236 -22.855 -1.710 1.00 11.12 C ATOM 1057 C VAL A 68 -16.820 -24.199 -1.294 1.00 34.11 C ATOM 1058 O VAL A 68 -17.448 -24.893 -2.095 1.00 54.02 O ATOM 1059 CB VAL A 68 -14.709 -22.995 -1.931 1.00 24.24 C ATOM 1060 CG1 VAL A 68 -14.363 -24.308 -2.624 1.00 61.25 C ATOM 1061 CG2 VAL A 68 -14.186 -21.822 -2.739 1.00 31.13 C ATOM 0 H VAL A 68 -15.706 -21.407 -0.288 1.00 63.54 H new ATOM 0 HA VAL A 68 -16.691 -22.535 -2.647 1.00 11.12 H new ATOM 0 HB VAL A 68 -14.229 -22.997 -0.952 1.00 24.24 H new ATOM 0 HG11 VAL A 68 -13.284 -24.373 -2.763 1.00 61.25 H new ATOM 0 HG12 VAL A 68 -14.701 -25.143 -2.010 1.00 61.25 H new ATOM 0 HG13 VAL A 68 -14.857 -24.348 -3.595 1.00 61.25 H new ATOM 0 HG21 VAL A 68 -13.112 -21.932 -2.887 1.00 31.13 H new ATOM 0 HG22 VAL A 68 -14.685 -21.796 -3.708 1.00 31.13 H new ATOM 0 HG23 VAL A 68 -14.385 -20.894 -2.203 1.00 31.13 H new ATOM 1071 N ASP A 69 -16.620 -24.542 -0.028 1.00 55.34 N ATOM 1072 CA ASP A 69 -17.161 -25.772 0.535 1.00 12.20 C ATOM 1073 C ASP A 69 -18.676 -25.808 0.381 1.00 3.30 C ATOM 1074 O ASP A 69 -19.236 -26.808 -0.059 1.00 52.52 O ATOM 1075 CB ASP A 69 -16.776 -25.890 2.010 1.00 64.31 C ATOM 1076 CG ASP A 69 -17.254 -27.185 2.630 1.00 34.05 C ATOM 1077 OD1 ASP A 69 -16.792 -28.262 2.201 1.00 32.42 O ATOM 1078 OD2 ASP A 69 -18.081 -27.129 3.565 1.00 22.40 O ATOM 0 H ASP A 69 -16.083 -23.981 0.633 1.00 55.34 H new ATOM 0 HA ASP A 69 -16.739 -26.618 -0.008 1.00 12.20 H new ATOM 0 HB2 ASP A 69 -15.692 -25.823 2.106 1.00 64.31 H new ATOM 0 HB3 ASP A 69 -17.198 -25.049 2.561 1.00 64.31 H new ATOM 1083 N ALA A 70 -19.327 -24.694 0.705 1.00 2.44 N ATOM 1084 CA ALA A 70 -20.777 -24.594 0.597 1.00 43.23 C ATOM 1085 C ALA A 70 -21.240 -24.824 -0.839 1.00 71.13 C ATOM 1086 O ALA A 70 -22.240 -25.499 -1.075 1.00 0.41 O ATOM 1087 CB ALA A 70 -21.256 -23.241 1.100 1.00 22.40 C ATOM 0 H ALA A 70 -18.871 -23.847 1.045 1.00 2.44 H new ATOM 0 HA ALA A 70 -21.215 -25.374 1.220 1.00 43.23 H new ATOM 0 HB1 ALA A 70 -22.341 -23.183 1.012 1.00 22.40 H new ATOM 0 HB2 ALA A 70 -20.970 -23.119 2.145 1.00 22.40 H new ATOM 0 HB3 ALA A 70 -20.801 -22.450 0.504 1.00 22.40 H new ATOM 1093 N ALA A 71 -20.496 -24.276 -1.794 1.00 24.31 N ATOM 1094 CA ALA A 71 -20.823 -24.441 -3.204 1.00 13.24 C ATOM 1095 C ALA A 71 -20.641 -25.891 -3.638 1.00 4.23 C ATOM 1096 O ALA A 71 -21.433 -26.419 -4.418 1.00 44.41 O ATOM 1097 CB ALA A 71 -19.968 -23.524 -4.059 1.00 23.45 C ATOM 0 H ALA A 71 -19.663 -23.714 -1.617 1.00 24.31 H new ATOM 0 HA ALA A 71 -21.870 -24.171 -3.342 1.00 13.24 H new ATOM 0 HB1 ALA A 71 -20.226 -23.661 -5.109 1.00 23.45 H new ATOM 0 HB2 ALA A 71 -20.148 -22.488 -3.773 1.00 23.45 H new ATOM 0 HB3 ALA A 71 -18.915 -23.764 -3.910 1.00 23.45 H new ATOM 1103 N MET A 72 -19.594 -26.530 -3.127 1.00 53.31 N ATOM 1104 CA MET A 72 -19.340 -27.937 -3.418 1.00 24.45 C ATOM 1105 C MET A 72 -20.458 -28.808 -2.859 1.00 4.44 C ATOM 1106 O MET A 72 -20.963 -29.704 -3.534 1.00 13.25 O ATOM 1107 CB MET A 72 -18.012 -28.394 -2.814 1.00 3.01 C ATOM 1108 CG MET A 72 -16.783 -27.715 -3.391 1.00 14.12 C ATOM 1109 SD MET A 72 -15.259 -28.475 -2.796 1.00 54.02 S ATOM 1110 CE MET A 72 -14.079 -27.811 -3.962 1.00 70.24 C ATOM 0 H MET A 72 -18.908 -26.096 -2.509 1.00 53.31 H new ATOM 0 HA MET A 72 -19.296 -28.043 -4.502 1.00 24.45 H new ATOM 0 HB2 MET A 72 -18.037 -28.216 -1.739 1.00 3.01 H new ATOM 0 HB3 MET A 72 -17.916 -29.470 -2.956 1.00 3.01 H new ATOM 0 HG2 MET A 72 -16.815 -27.768 -4.479 1.00 14.12 H new ATOM 0 HG3 MET A 72 -16.791 -26.659 -3.123 1.00 14.12 H new ATOM 0 HE1 MET A 72 -13.157 -28.391 -3.917 1.00 70.24 H new ATOM 0 HE2 MET A 72 -14.493 -27.865 -4.969 1.00 70.24 H new ATOM 0 HE3 MET A 72 -13.867 -26.771 -3.713 1.00 70.24 H new ATOM 1120 N ASN A 73 -20.845 -28.524 -1.624 1.00 33.34 N ATOM 1121 CA ASN A 73 -21.875 -29.296 -0.936 1.00 14.14 C ATOM 1122 C ASN A 73 -23.245 -29.053 -1.557 1.00 45.33 C ATOM 1123 O ASN A 73 -24.201 -29.782 -1.287 1.00 33.02 O ATOM 1124 CB ASN A 73 -21.902 -28.930 0.551 1.00 60.40 C ATOM 1125 CG ASN A 73 -20.582 -29.217 1.238 1.00 61.33 C ATOM 1126 OD1 ASN A 73 -19.895 -30.186 0.918 1.00 63.23 O ATOM 1127 ND2 ASN A 73 -20.205 -28.361 2.173 1.00 75.41 N ATOM 0 H ASN A 73 -20.459 -27.758 -1.072 1.00 33.34 H new ATOM 0 HA ASN A 73 -21.634 -30.354 -1.041 1.00 14.14 H new ATOM 0 HB2 ASN A 73 -22.142 -27.872 0.658 1.00 60.40 H new ATOM 0 HB3 ASN A 73 -22.696 -29.489 1.046 1.00 60.40 H new ATOM 0 HD21 ASN A 73 -19.317 -28.493 2.657 1.00 75.41 H new ATOM 0 HD22 ASN A 73 -20.803 -27.569 2.410 1.00 75.41 H new ATOM 1134 N ALA A 74 -23.327 -28.030 -2.398 1.00 12.41 N ATOM 1135 CA ALA A 74 -24.568 -27.687 -3.073 1.00 62.13 C ATOM 1136 C ALA A 74 -24.773 -28.544 -4.318 1.00 4.52 C ATOM 1137 O ALA A 74 -25.817 -28.469 -4.964 1.00 63.31 O ATOM 1138 CB ALA A 74 -24.572 -26.212 -3.437 1.00 32.32 C ATOM 0 H ALA A 74 -22.542 -27.421 -2.629 1.00 12.41 H new ATOM 0 HA ALA A 74 -25.394 -27.887 -2.391 1.00 62.13 H new ATOM 0 HB1 ALA A 74 -25.506 -25.964 -3.942 1.00 32.32 H new ATOM 0 HB2 ALA A 74 -24.480 -25.613 -2.531 1.00 32.32 H new ATOM 0 HB3 ALA A 74 -23.733 -25.998 -4.100 1.00 32.32 H new ATOM 1144 N ARG A 75 -23.767 -29.347 -4.652 1.00 31.13 N ATOM 1145 CA ARG A 75 -23.853 -30.282 -5.772 1.00 61.42 C ATOM 1146 C ARG A 75 -25.049 -31.221 -5.596 1.00 62.15 C ATOM 1147 O ARG A 75 -25.317 -31.684 -4.484 1.00 31.01 O ATOM 1148 CB ARG A 75 -22.538 -31.071 -5.882 1.00 44.33 C ATOM 1149 CG ARG A 75 -22.597 -32.285 -6.797 1.00 62.12 C ATOM 1150 CD ARG A 75 -22.648 -33.577 -5.994 1.00 23.44 C ATOM 1151 NE ARG A 75 -21.438 -33.762 -5.196 1.00 15.23 N ATOM 1152 CZ ARG A 75 -21.411 -34.309 -3.982 1.00 31.50 C ATOM 1153 NH1 ARG A 75 -22.530 -34.750 -3.419 1.00 4.23 N ATOM 1154 NH2 ARG A 75 -20.259 -34.412 -3.335 1.00 4.24 N ATOM 0 H ARG A 75 -22.875 -29.369 -4.159 1.00 31.13 H new ATOM 0 HA ARG A 75 -24.005 -29.726 -6.697 1.00 61.42 H new ATOM 0 HB2 ARG A 75 -21.757 -30.400 -6.241 1.00 44.33 H new ATOM 0 HB3 ARG A 75 -22.243 -31.399 -4.885 1.00 44.33 H new ATOM 0 HG2 ARG A 75 -23.475 -32.218 -7.439 1.00 62.12 H new ATOM 0 HG3 ARG A 75 -21.725 -32.294 -7.450 1.00 62.12 H new ATOM 0 HD2 ARG A 75 -23.519 -33.565 -5.338 1.00 23.44 H new ATOM 0 HD3 ARG A 75 -22.771 -34.422 -6.671 1.00 23.44 H new ATOM 0 HE ARG A 75 -20.553 -33.451 -5.596 1.00 15.23 H new ATOM 0 HH11 ARG A 75 -23.417 -34.671 -3.917 1.00 4.23 H new ATOM 0 HH12 ARG A 75 -22.503 -35.168 -2.489 1.00 4.23 H new ATOM 0 HH21 ARG A 75 -19.399 -34.073 -3.767 1.00 4.24 H new ATOM 0 HH22 ARG A 75 -20.232 -34.830 -2.405 1.00 4.24 H new ATOM 1168 N PRO A 76 -25.798 -31.511 -6.681 1.00 53.04 N ATOM 1169 CA PRO A 76 -25.512 -31.007 -8.031 1.00 13.11 C ATOM 1170 C PRO A 76 -25.791 -29.515 -8.179 1.00 41.13 C ATOM 1171 O PRO A 76 -26.884 -29.033 -7.869 1.00 63.04 O ATOM 1172 CB PRO A 76 -26.456 -31.812 -8.940 1.00 23.43 C ATOM 1173 CG PRO A 76 -27.025 -32.890 -8.078 1.00 31.13 C ATOM 1174 CD PRO A 76 -26.989 -32.363 -6.676 1.00 31.23 C ATOM 0 HA PRO A 76 -24.457 -31.126 -8.277 1.00 13.11 H new ATOM 0 HB2 PRO A 76 -27.244 -31.178 -9.345 1.00 23.43 H new ATOM 0 HB3 PRO A 76 -25.917 -32.233 -9.789 1.00 23.43 H new ATOM 0 HG2 PRO A 76 -28.045 -33.131 -8.378 1.00 31.13 H new ATOM 0 HG3 PRO A 76 -26.442 -33.807 -8.165 1.00 31.13 H new ATOM 0 HD2 PRO A 76 -27.889 -31.799 -6.433 1.00 31.23 H new ATOM 0 HD3 PRO A 76 -26.909 -33.166 -5.944 1.00 31.23 H new ATOM 1182 N HIS A 77 -24.789 -28.798 -8.654 1.00 2.54 N ATOM 1183 CA HIS A 77 -24.882 -27.363 -8.846 1.00 11.01 C ATOM 1184 C HIS A 77 -25.618 -27.054 -10.151 1.00 24.52 C ATOM 1185 O HIS A 77 -25.615 -27.861 -11.082 1.00 41.44 O ATOM 1186 CB HIS A 77 -23.473 -26.763 -8.877 1.00 51.22 C ATOM 1187 CG HIS A 77 -23.425 -25.305 -8.550 1.00 62.42 C ATOM 1188 ND1 HIS A 77 -23.979 -24.365 -9.379 1.00 23.04 N ATOM 1189 CD2 HIS A 77 -22.881 -24.686 -7.479 1.00 41.30 C ATOM 1190 CE1 HIS A 77 -23.765 -23.200 -8.805 1.00 24.43 C ATOM 1191 NE2 HIS A 77 -23.103 -23.341 -7.646 1.00 64.53 N ATOM 0 H HIS A 77 -23.887 -29.195 -8.918 1.00 2.54 H new ATOM 0 HA HIS A 77 -25.442 -26.923 -8.021 1.00 11.01 H new ATOM 0 HB2 HIS A 77 -22.843 -27.304 -8.171 1.00 51.22 H new ATOM 0 HB3 HIS A 77 -23.046 -26.917 -9.868 1.00 51.22 H new ATOM 0 HD2 HIS A 77 -22.371 -25.157 -6.652 1.00 41.30 H new ATOM 0 HE1 HIS A 77 -24.082 -22.252 -9.214 1.00 24.43 H new ATOM 0 HE2 HIS A 77 -22.820 -22.594 -7.012 1.00 64.53 H new ATOM 1199 N LYS A 78 -26.250 -25.893 -10.212 1.00 72.11 N ATOM 1200 CA LYS A 78 -26.993 -25.484 -11.394 1.00 42.42 C ATOM 1201 C LYS A 78 -26.637 -24.051 -11.777 1.00 4.11 C ATOM 1202 O LYS A 78 -26.880 -23.117 -11.015 1.00 73.25 O ATOM 1203 CB LYS A 78 -28.501 -25.599 -11.143 1.00 3.22 C ATOM 1204 CG LYS A 78 -29.359 -25.163 -12.323 1.00 43.22 C ATOM 1205 CD LYS A 78 -29.164 -26.067 -13.531 1.00 73.31 C ATOM 1206 CE LYS A 78 -29.728 -27.460 -13.299 1.00 55.44 C ATOM 1207 NZ LYS A 78 -31.203 -27.437 -13.107 1.00 72.03 N ATOM 0 H LYS A 78 -26.263 -25.213 -9.452 1.00 72.11 H new ATOM 0 HA LYS A 78 -26.721 -26.146 -12.217 1.00 42.42 H new ATOM 0 HB2 LYS A 78 -28.740 -26.633 -10.895 1.00 3.22 H new ATOM 0 HB3 LYS A 78 -28.762 -24.995 -10.274 1.00 3.22 H new ATOM 0 HG2 LYS A 78 -30.409 -25.170 -12.030 1.00 43.22 H new ATOM 0 HG3 LYS A 78 -29.110 -24.137 -12.593 1.00 43.22 H new ATOM 0 HD2 LYS A 78 -29.648 -25.620 -14.400 1.00 73.31 H new ATOM 0 HD3 LYS A 78 -28.101 -26.140 -13.761 1.00 73.31 H new ATOM 0 HE2 LYS A 78 -29.483 -28.097 -14.149 1.00 55.44 H new ATOM 0 HE3 LYS A 78 -29.255 -27.902 -12.422 1.00 55.44 H new ATOM 0 HZ1 LYS A 78 -31.583 -28.398 -13.222 1.00 72.03 H new ATOM 0 HZ2 LYS A 78 -31.423 -27.090 -12.152 1.00 72.03 H new ATOM 0 HZ3 LYS A 78 -31.635 -26.807 -13.813 1.00 72.03 H new ATOM 1221 N VAL A 79 -26.052 -23.888 -12.954 1.00 34.42 N ATOM 1222 CA VAL A 79 -25.701 -22.570 -13.464 1.00 3.42 C ATOM 1223 C VAL A 79 -26.219 -22.403 -14.886 1.00 22.32 C ATOM 1224 O VAL A 79 -25.864 -23.181 -15.772 1.00 20.12 O ATOM 1225 CB VAL A 79 -24.173 -22.338 -13.455 1.00 24.33 C ATOM 1226 CG1 VAL A 79 -23.813 -20.999 -14.089 1.00 21.42 C ATOM 1227 CG2 VAL A 79 -23.623 -22.422 -12.047 1.00 4.13 C ATOM 0 H VAL A 79 -25.809 -24.657 -13.578 1.00 34.42 H new ATOM 0 HA VAL A 79 -26.165 -21.835 -12.806 1.00 3.42 H new ATOM 0 HB VAL A 79 -23.716 -23.128 -14.052 1.00 24.33 H new ATOM 0 HG11 VAL A 79 -22.731 -20.865 -14.067 1.00 21.42 H new ATOM 0 HG12 VAL A 79 -24.160 -20.980 -15.122 1.00 21.42 H new ATOM 0 HG13 VAL A 79 -24.289 -20.193 -13.531 1.00 21.42 H new ATOM 0 HG21 VAL A 79 -22.546 -22.255 -12.067 1.00 4.13 H new ATOM 0 HG22 VAL A 79 -24.097 -21.662 -11.425 1.00 4.13 H new ATOM 0 HG23 VAL A 79 -23.830 -23.409 -11.634 1.00 4.13 H new ATOM 1237 N ASP A 80 -27.079 -21.407 -15.086 1.00 44.32 N ATOM 1238 CA ASP A 80 -27.619 -21.083 -16.413 1.00 31.12 C ATOM 1239 C ASP A 80 -28.399 -22.269 -16.990 1.00 5.24 C ATOM 1240 O ASP A 80 -28.391 -22.516 -18.194 1.00 74.34 O ATOM 1241 CB ASP A 80 -26.485 -20.669 -17.366 1.00 42.32 C ATOM 1242 CG ASP A 80 -26.991 -20.023 -18.641 1.00 24.43 C ATOM 1243 OD1 ASP A 80 -27.437 -18.857 -18.583 1.00 73.40 O ATOM 1244 OD2 ASP A 80 -26.939 -20.671 -19.704 1.00 33.20 O ATOM 0 H ASP A 80 -27.422 -20.802 -14.340 1.00 44.32 H new ATOM 0 HA ASP A 80 -28.308 -20.245 -16.306 1.00 31.12 H new ATOM 0 HB2 ASP A 80 -25.821 -19.974 -16.852 1.00 42.32 H new ATOM 0 HB3 ASP A 80 -25.892 -21.548 -17.620 1.00 42.32 H new ATOM 1249 N GLY A 81 -29.087 -22.994 -16.120 1.00 55.21 N ATOM 1250 CA GLY A 81 -29.856 -24.146 -16.553 1.00 43.40 C ATOM 1251 C GLY A 81 -28.977 -25.330 -16.901 1.00 22.11 C ATOM 1252 O GLY A 81 -29.429 -26.289 -17.520 1.00 62.43 O ATOM 0 H GLY A 81 -29.127 -22.805 -15.118 1.00 55.21 H new ATOM 0 HA2 GLY A 81 -30.551 -24.433 -15.764 1.00 43.40 H new ATOM 0 HA3 GLY A 81 -30.455 -23.874 -17.422 1.00 43.40 H new ATOM 1256 N ARG A 82 -27.720 -25.260 -16.497 1.00 52.11 N ATOM 1257 CA ARG A 82 -26.759 -26.313 -16.774 1.00 72.44 C ATOM 1258 C ARG A 82 -26.138 -26.816 -15.475 1.00 22.31 C ATOM 1259 O ARG A 82 -25.760 -26.020 -14.616 1.00 50.10 O ATOM 1260 CB ARG A 82 -25.671 -25.773 -17.709 1.00 11.44 C ATOM 1261 CG ARG A 82 -24.563 -26.762 -18.028 1.00 73.52 C ATOM 1262 CD ARG A 82 -25.074 -27.947 -18.824 1.00 13.55 C ATOM 1263 NE ARG A 82 -23.982 -28.795 -19.294 1.00 2.14 N ATOM 1264 CZ ARG A 82 -24.120 -29.736 -20.229 1.00 54.21 C ATOM 1265 NH1 ARG A 82 -25.322 -30.022 -20.716 1.00 51.11 N ATOM 1266 NH2 ARG A 82 -23.062 -30.414 -20.652 1.00 54.44 N ATOM 0 H ARG A 82 -27.338 -24.475 -15.970 1.00 52.11 H new ATOM 0 HA ARG A 82 -27.267 -27.148 -17.257 1.00 72.44 H new ATOM 0 HB2 ARG A 82 -26.137 -25.456 -18.642 1.00 11.44 H new ATOM 0 HB3 ARG A 82 -25.229 -24.886 -17.256 1.00 11.44 H new ATOM 0 HG2 ARG A 82 -23.778 -26.258 -18.591 1.00 73.52 H new ATOM 0 HG3 ARG A 82 -24.113 -27.115 -17.100 1.00 73.52 H new ATOM 0 HD2 ARG A 82 -25.751 -28.536 -18.205 1.00 13.55 H new ATOM 0 HD3 ARG A 82 -25.651 -27.590 -19.677 1.00 13.55 H new ATOM 0 HE ARG A 82 -23.059 -28.660 -18.883 1.00 2.14 H new ATOM 0 HH11 ARG A 82 -26.143 -29.521 -20.375 1.00 51.11 H new ATOM 0 HH12 ARG A 82 -25.424 -30.742 -21.431 1.00 51.11 H new ATOM 0 HH21 ARG A 82 -22.140 -30.216 -20.262 1.00 54.44 H new ATOM 0 HH22 ARG A 82 -23.170 -31.133 -21.367 1.00 54.44 H new ATOM 1280 N VAL A 83 -26.056 -28.130 -15.323 1.00 12.33 N ATOM 1281 CA VAL A 83 -25.401 -28.719 -14.165 1.00 41.02 C ATOM 1282 C VAL A 83 -23.892 -28.603 -14.322 1.00 22.15 C ATOM 1283 O VAL A 83 -23.300 -29.203 -15.222 1.00 10.32 O ATOM 1284 CB VAL A 83 -25.793 -30.201 -13.974 1.00 20.45 C ATOM 1285 CG1 VAL A 83 -25.068 -30.808 -12.781 1.00 42.01 C ATOM 1286 CG2 VAL A 83 -27.299 -30.335 -13.805 1.00 53.41 C ATOM 0 H VAL A 83 -26.434 -28.807 -15.986 1.00 12.33 H new ATOM 0 HA VAL A 83 -25.729 -28.173 -13.280 1.00 41.02 H new ATOM 0 HB VAL A 83 -25.492 -30.748 -14.867 1.00 20.45 H new ATOM 0 HG11 VAL A 83 -25.362 -31.852 -12.669 1.00 42.01 H new ATOM 0 HG12 VAL A 83 -23.991 -30.749 -12.941 1.00 42.01 H new ATOM 0 HG13 VAL A 83 -25.331 -30.258 -11.877 1.00 42.01 H new ATOM 0 HG21 VAL A 83 -27.558 -31.385 -13.672 1.00 53.41 H new ATOM 0 HG22 VAL A 83 -27.619 -29.768 -12.930 1.00 53.41 H new ATOM 0 HG23 VAL A 83 -27.801 -29.947 -14.692 1.00 53.41 H new ATOM 1296 N VAL A 84 -23.276 -27.810 -13.463 1.00 34.14 N ATOM 1297 CA VAL A 84 -21.851 -27.561 -13.561 1.00 75.21 C ATOM 1298 C VAL A 84 -21.088 -28.420 -12.568 1.00 23.52 C ATOM 1299 O VAL A 84 -21.652 -28.905 -11.587 1.00 0.22 O ATOM 1300 CB VAL A 84 -21.515 -26.074 -13.325 1.00 4.22 C ATOM 1301 CG1 VAL A 84 -22.237 -25.202 -14.337 1.00 51.22 C ATOM 1302 CG2 VAL A 84 -21.867 -25.653 -11.908 1.00 50.40 C ATOM 0 H VAL A 84 -23.740 -27.329 -12.692 1.00 34.14 H new ATOM 0 HA VAL A 84 -21.547 -27.823 -14.574 1.00 75.21 H new ATOM 0 HB VAL A 84 -20.441 -25.943 -13.456 1.00 4.22 H new ATOM 0 HG11 VAL A 84 -21.990 -24.156 -14.158 1.00 51.22 H new ATOM 0 HG12 VAL A 84 -21.927 -25.481 -15.344 1.00 51.22 H new ATOM 0 HG13 VAL A 84 -23.313 -25.343 -14.237 1.00 51.22 H new ATOM 0 HG21 VAL A 84 -21.620 -24.601 -11.769 1.00 50.40 H new ATOM 0 HG22 VAL A 84 -22.934 -25.801 -11.739 1.00 50.40 H new ATOM 0 HG23 VAL A 84 -21.300 -26.255 -11.198 1.00 50.40 H new ATOM 1312 N GLU A 85 -19.809 -28.609 -12.828 1.00 34.04 N ATOM 1313 CA GLU A 85 -18.968 -29.410 -11.958 1.00 11.03 C ATOM 1314 C GLU A 85 -17.890 -28.535 -11.333 1.00 72.22 C ATOM 1315 O GLU A 85 -16.904 -28.186 -11.988 1.00 41.13 O ATOM 1316 CB GLU A 85 -18.336 -30.557 -12.740 1.00 41.31 C ATOM 1317 CG GLU A 85 -17.480 -31.482 -11.895 1.00 34.50 C ATOM 1318 CD GLU A 85 -16.770 -32.522 -12.730 1.00 60.11 C ATOM 1319 OE1 GLU A 85 -15.678 -32.222 -13.249 1.00 30.55 O ATOM 1320 OE2 GLU A 85 -17.307 -33.640 -12.879 1.00 25.04 O ATOM 0 H GLU A 85 -19.328 -28.218 -13.638 1.00 34.04 H new ATOM 0 HA GLU A 85 -19.582 -29.834 -11.164 1.00 11.03 H new ATOM 0 HB2 GLU A 85 -19.127 -31.140 -13.212 1.00 41.31 H new ATOM 0 HB3 GLU A 85 -17.724 -30.143 -13.541 1.00 41.31 H new ATOM 0 HG2 GLU A 85 -16.744 -30.894 -11.347 1.00 34.50 H new ATOM 0 HG3 GLU A 85 -18.107 -31.979 -11.154 1.00 34.50 H new ATOM 1327 N PRO A 86 -18.085 -28.148 -10.068 1.00 44.14 N ATOM 1328 CA PRO A 86 -17.180 -27.266 -9.354 1.00 32.44 C ATOM 1329 C PRO A 86 -16.114 -28.021 -8.556 1.00 35.22 C ATOM 1330 O PRO A 86 -16.420 -28.729 -7.596 1.00 45.54 O ATOM 1331 CB PRO A 86 -18.137 -26.506 -8.431 1.00 71.12 C ATOM 1332 CG PRO A 86 -19.320 -27.406 -8.220 1.00 51.45 C ATOM 1333 CD PRO A 86 -19.224 -28.532 -9.225 1.00 64.12 C ATOM 0 HA PRO A 86 -16.598 -26.629 -10.020 1.00 32.44 H new ATOM 0 HB2 PRO A 86 -17.656 -26.267 -7.483 1.00 71.12 H new ATOM 0 HB3 PRO A 86 -18.442 -25.561 -8.880 1.00 71.12 H new ATOM 0 HG2 PRO A 86 -19.325 -27.800 -7.204 1.00 51.45 H new ATOM 0 HG3 PRO A 86 -20.250 -26.853 -8.352 1.00 51.45 H new ATOM 0 HD2 PRO A 86 -19.055 -29.492 -8.737 1.00 64.12 H new ATOM 0 HD3 PRO A 86 -20.140 -28.628 -9.808 1.00 64.12 H new ATOM 1341 N LYS A 87 -14.859 -27.870 -8.967 1.00 52.40 N ATOM 1342 CA LYS A 87 -13.743 -28.530 -8.293 1.00 13.01 C ATOM 1343 C LYS A 87 -12.710 -27.501 -7.854 1.00 70.31 C ATOM 1344 O LYS A 87 -12.711 -26.378 -8.343 1.00 62.42 O ATOM 1345 CB LYS A 87 -13.085 -29.557 -9.221 1.00 53.41 C ATOM 1346 CG LYS A 87 -14.044 -30.611 -9.753 1.00 73.32 C ATOM 1347 CD LYS A 87 -13.316 -31.667 -10.561 1.00 14.21 C ATOM 1348 CE LYS A 87 -12.688 -31.081 -11.816 1.00 54.32 C ATOM 1349 NZ LYS A 87 -13.708 -30.548 -12.755 1.00 32.31 N ATOM 0 H LYS A 87 -14.588 -27.296 -9.765 1.00 52.40 H new ATOM 0 HA LYS A 87 -14.131 -29.046 -7.415 1.00 13.01 H new ATOM 0 HB2 LYS A 87 -12.632 -29.034 -10.063 1.00 53.41 H new ATOM 0 HB3 LYS A 87 -12.277 -30.053 -8.683 1.00 53.41 H new ATOM 0 HG2 LYS A 87 -14.565 -31.084 -8.920 1.00 73.32 H new ATOM 0 HG3 LYS A 87 -14.802 -30.134 -10.374 1.00 73.32 H new ATOM 0 HD2 LYS A 87 -12.541 -32.126 -9.946 1.00 14.21 H new ATOM 0 HD3 LYS A 87 -14.013 -32.458 -10.838 1.00 14.21 H new ATOM 0 HE2 LYS A 87 -12.000 -30.283 -11.538 1.00 54.32 H new ATOM 0 HE3 LYS A 87 -12.099 -31.848 -12.318 1.00 54.32 H new ATOM 0 HZ1 LYS A 87 -13.359 -30.632 -13.731 1.00 32.31 H new ATOM 0 HZ2 LYS A 87 -14.590 -31.091 -12.655 1.00 32.31 H new ATOM 0 HZ3 LYS A 87 -13.891 -29.547 -12.538 1.00 32.31 H new ATOM 1363 N ARG A 88 -11.838 -27.883 -6.929 1.00 44.41 N ATOM 1364 CA ARG A 88 -10.788 -26.987 -6.452 1.00 13.42 C ATOM 1365 C ARG A 88 -9.842 -26.630 -7.594 1.00 42.40 C ATOM 1366 O ARG A 88 -9.445 -27.496 -8.377 1.00 11.13 O ATOM 1367 CB ARG A 88 -10.000 -27.641 -5.317 1.00 11.40 C ATOM 1368 CG ARG A 88 -9.724 -26.710 -4.148 1.00 15.33 C ATOM 1369 CD ARG A 88 -10.999 -26.412 -3.381 1.00 75.12 C ATOM 1370 NE ARG A 88 -10.763 -25.601 -2.190 1.00 21.04 N ATOM 1371 CZ ARG A 88 -10.813 -26.070 -0.943 1.00 13.33 C ATOM 1372 NH1 ARG A 88 -10.935 -27.374 -0.719 1.00 55.10 N ATOM 1373 NH2 ARG A 88 -10.698 -25.233 0.081 1.00 25.33 N ATOM 0 H ARG A 88 -11.836 -28.805 -6.494 1.00 44.41 H new ATOM 0 HA ARG A 88 -11.257 -26.078 -6.077 1.00 13.42 H new ATOM 0 HB2 ARG A 88 -10.552 -28.509 -4.956 1.00 11.40 H new ATOM 0 HB3 ARG A 88 -9.052 -28.008 -5.710 1.00 11.40 H new ATOM 0 HG2 ARG A 88 -8.991 -27.164 -3.481 1.00 15.33 H new ATOM 0 HG3 ARG A 88 -9.289 -25.780 -4.513 1.00 15.33 H new ATOM 0 HD2 ARG A 88 -11.699 -25.894 -4.036 1.00 75.12 H new ATOM 0 HD3 ARG A 88 -11.470 -27.350 -3.089 1.00 75.12 H new ATOM 0 HE ARG A 88 -10.546 -24.613 -2.320 1.00 21.04 H new ATOM 0 HH11 ARG A 88 -10.991 -28.023 -1.504 1.00 55.10 H new ATOM 0 HH12 ARG A 88 -10.973 -27.726 0.238 1.00 55.10 H new ATOM 0 HH21 ARG A 88 -10.572 -24.235 -0.088 1.00 25.33 H new ATOM 0 HH22 ARG A 88 -10.736 -25.588 1.037 1.00 25.33 H new ATOM 1387 N ALA A 89 -9.488 -25.357 -7.689 1.00 33.41 N ATOM 1388 CA ALA A 89 -8.640 -24.887 -8.772 1.00 22.02 C ATOM 1389 C ALA A 89 -7.165 -25.165 -8.505 1.00 52.23 C ATOM 1390 O ALA A 89 -6.760 -25.472 -7.379 1.00 32.11 O ATOM 1391 CB ALA A 89 -8.860 -23.404 -9.013 1.00 10.40 C ATOM 0 H ALA A 89 -9.775 -24.633 -7.030 1.00 33.41 H new ATOM 0 HA ALA A 89 -8.921 -25.441 -9.668 1.00 22.02 H new ATOM 0 HB1 ALA A 89 -8.217 -23.068 -9.827 1.00 10.40 H new ATOM 0 HB2 ALA A 89 -9.903 -23.229 -9.278 1.00 10.40 H new ATOM 0 HB3 ALA A 89 -8.618 -22.848 -8.107 1.00 10.40 H new ATOM 1397 N VAL A 90 -6.375 -25.060 -9.561 1.00 52.30 N ATOM 1398 CA VAL A 90 -4.939 -25.265 -9.498 1.00 75.22 C ATOM 1399 C VAL A 90 -4.232 -23.942 -9.765 1.00 31.52 C ATOM 1400 O VAL A 90 -4.772 -23.088 -10.462 1.00 13.41 O ATOM 1401 CB VAL A 90 -4.487 -26.307 -10.553 1.00 13.12 C ATOM 1402 CG1 VAL A 90 -3.007 -26.627 -10.425 1.00 2.24 C ATOM 1403 CG2 VAL A 90 -5.317 -27.574 -10.445 1.00 12.23 C ATOM 0 H VAL A 90 -6.716 -24.828 -10.494 1.00 52.30 H new ATOM 0 HA VAL A 90 -4.682 -25.637 -8.506 1.00 75.22 H new ATOM 0 HB VAL A 90 -4.647 -25.868 -11.538 1.00 13.12 H new ATOM 0 HG11 VAL A 90 -2.727 -27.361 -11.181 1.00 2.24 H new ATOM 0 HG12 VAL A 90 -2.424 -25.717 -10.569 1.00 2.24 H new ATOM 0 HG13 VAL A 90 -2.807 -27.033 -9.433 1.00 2.24 H new ATOM 0 HG21 VAL A 90 -4.984 -28.292 -11.194 1.00 12.23 H new ATOM 0 HG22 VAL A 90 -5.196 -28.004 -9.451 1.00 12.23 H new ATOM 0 HG23 VAL A 90 -6.367 -27.336 -10.612 1.00 12.23 H new