USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 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 22 SER OG : rot 156:sc= 2.3 USER MOD Set 1.2: A 25 THR OG1 : rot 57:sc= 1.28 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -155:sc= 0.831 (180deg=-0.591) USER MOD Set 2.2: A 61 THR OG1 : rot 66:sc= 0.121 USER MOD Single : A 12 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.51) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 77:sc= 1.22 USER MOD Single : A 33 HIS : no HD1:sc= -3.99! K(o=-4!,f=-0.95) USER MOD Single : A 36 GLN : amide:sc= -0.74! K(o=-0.74!,f=-0.078) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 33:sc= -0.155 USER MOD Single : A 46 MET CE :methyl 167:sc= -1.17 (180deg=-1.52) USER MOD Single : A 62 TYR OH : rot 45:sc= 1.07 USER MOD Single : A 64 THR OG1 : rot -96:sc= 1.08 USER MOD Single : A 72 MET CE :methyl -158:sc= -1.18 (180deg=-2.81!) USER MOD Single : A 73 ASN : amide:sc= 0.964 K(o=0.96,f=-0.12) USER MOD Single : A 77 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-3.9!) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0368 (180deg=-0.282) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.333 -17.614 -4.031 1.00 4.11 N ATOM 149 CA GLU A 11 -6.569 -17.609 -4.794 1.00 35.44 C ATOM 150 C GLU A 11 -6.869 -19.013 -5.302 1.00 65.34 C ATOM 151 O GLU A 11 -8.003 -19.326 -5.633 1.00 2.10 O ATOM 152 CB GLU A 11 -6.507 -16.617 -5.961 1.00 74.04 C ATOM 153 CG GLU A 11 -5.745 -17.130 -7.166 1.00 71.12 C ATOM 154 CD GLU A 11 -4.243 -17.133 -6.969 1.00 64.13 C ATOM 155 OE1 GLU A 11 -3.725 -18.088 -6.359 1.00 64.12 O ATOM 156 OE2 GLU A 11 -3.578 -16.179 -7.424 1.00 62.42 O ATOM 0 HA GLU A 11 -7.374 -17.286 -4.134 1.00 35.44 H new ATOM 0 HB2 GLU A 11 -7.523 -16.367 -6.266 1.00 74.04 H new ATOM 0 HB3 GLU A 11 -6.041 -15.694 -5.616 1.00 74.04 H new ATOM 0 HG2 GLU A 11 -6.077 -18.143 -7.392 1.00 71.12 H new ATOM 0 HG3 GLU A 11 -5.990 -16.514 -8.031 1.00 71.12 H new ATOM 163 N GLN A 12 -5.836 -19.853 -5.344 1.00 12.20 N ATOM 164 CA GLN A 12 -5.972 -21.236 -5.791 1.00 53.31 C ATOM 165 C GLN A 12 -7.014 -21.990 -4.975 1.00 40.10 C ATOM 166 O GLN A 12 -7.991 -22.500 -5.519 1.00 63.03 O ATOM 167 CB GLN A 12 -4.622 -21.957 -5.700 1.00 22.44 C ATOM 168 CG GLN A 12 -4.742 -23.472 -5.683 1.00 63.04 C ATOM 169 CD GLN A 12 -3.404 -24.172 -5.703 1.00 21.44 C ATOM 170 OE1 GLN A 12 -2.403 -23.645 -5.220 1.00 33.03 O ATOM 171 NE2 GLN A 12 -3.379 -25.378 -6.242 1.00 25.14 N ATOM 0 H GLN A 12 -4.888 -19.595 -5.071 1.00 12.20 H new ATOM 0 HA GLN A 12 -6.305 -21.215 -6.829 1.00 53.31 H new ATOM 0 HB2 GLN A 12 -4.003 -21.659 -6.546 1.00 22.44 H new ATOM 0 HB3 GLN A 12 -4.106 -21.631 -4.797 1.00 22.44 H new ATOM 0 HG2 GLN A 12 -5.292 -23.777 -4.793 1.00 63.04 H new ATOM 0 HG3 GLN A 12 -5.327 -23.794 -6.545 1.00 63.04 H new ATOM 0 HE21 GLN A 12 -4.231 -25.780 -6.632 1.00 25.14 H new ATOM 0 HE22 GLN A 12 -2.507 -25.907 -6.268 1.00 25.14 H new ATOM 180 N LEU A 13 -6.815 -22.037 -3.665 1.00 60.22 N ATOM 181 CA LEU A 13 -7.667 -22.840 -2.800 1.00 13.34 C ATOM 182 C LEU A 13 -9.033 -22.183 -2.622 1.00 21.23 C ATOM 183 O LEU A 13 -9.966 -22.790 -2.104 1.00 10.43 O ATOM 184 CB LEU A 13 -6.966 -23.092 -1.451 1.00 42.51 C ATOM 185 CG LEU A 13 -6.824 -21.896 -0.497 1.00 13.21 C ATOM 186 CD1 LEU A 13 -8.100 -21.669 0.301 1.00 70.14 C ATOM 187 CD2 LEU A 13 -5.654 -22.124 0.446 1.00 43.25 C ATOM 0 H LEU A 13 -6.074 -21.531 -3.180 1.00 60.22 H new ATOM 0 HA LEU A 13 -7.839 -23.808 -3.270 1.00 13.34 H new ATOM 0 HB2 LEU A 13 -7.512 -23.877 -0.928 1.00 42.51 H new ATOM 0 HB3 LEU A 13 -5.968 -23.480 -1.656 1.00 42.51 H new ATOM 0 HG LEU A 13 -6.640 -21.004 -1.096 1.00 13.21 H new ATOM 0 HD11 LEU A 13 -7.966 -20.816 0.966 1.00 70.14 H new ATOM 0 HD12 LEU A 13 -8.926 -21.471 -0.382 1.00 70.14 H new ATOM 0 HD13 LEU A 13 -8.323 -22.558 0.891 1.00 70.14 H new ATOM 0 HD21 LEU A 13 -5.559 -21.273 1.120 1.00 43.25 H new ATOM 0 HD22 LEU A 13 -5.827 -23.030 1.028 1.00 43.25 H new ATOM 0 HD23 LEU A 13 -4.737 -22.234 -0.132 1.00 43.25 H new ATOM 199 N ARG A 14 -9.141 -20.939 -3.067 1.00 13.53 N ATOM 200 CA ARG A 14 -10.388 -20.199 -2.966 1.00 14.41 C ATOM 201 C ARG A 14 -11.094 -20.158 -4.311 1.00 23.22 C ATOM 202 O ARG A 14 -12.219 -19.676 -4.419 1.00 23.32 O ATOM 203 CB ARG A 14 -10.126 -18.777 -2.477 1.00 74.51 C ATOM 204 CG ARG A 14 -9.479 -18.715 -1.108 1.00 25.20 C ATOM 205 CD ARG A 14 -9.332 -17.284 -0.633 1.00 65.22 C ATOM 206 NE ARG A 14 -8.320 -16.550 -1.390 1.00 32.25 N ATOM 207 CZ ARG A 14 -8.392 -15.247 -1.658 1.00 32.33 C ATOM 208 NH1 ARG A 14 -9.464 -14.554 -1.296 1.00 41.12 N ATOM 209 NH2 ARG A 14 -7.397 -14.640 -2.292 1.00 23.42 N ATOM 0 H ARG A 14 -8.377 -20.421 -3.502 1.00 13.53 H new ATOM 0 HA ARG A 14 -11.029 -20.709 -2.247 1.00 14.41 H new ATOM 0 HB2 ARG A 14 -9.485 -18.267 -3.196 1.00 74.51 H new ATOM 0 HB3 ARG A 14 -11.070 -18.232 -2.449 1.00 74.51 H new ATOM 0 HG2 ARG A 14 -10.080 -19.278 -0.394 1.00 25.20 H new ATOM 0 HG3 ARG A 14 -8.499 -19.191 -1.145 1.00 25.20 H new ATOM 0 HD2 ARG A 14 -10.291 -16.773 -0.722 1.00 65.22 H new ATOM 0 HD3 ARG A 14 -9.066 -17.280 0.424 1.00 65.22 H new ATOM 0 HE ARG A 14 -7.510 -17.066 -1.734 1.00 32.25 H new ATOM 0 HH11 ARG A 14 -10.233 -15.019 -0.813 1.00 41.12 H new ATOM 0 HH12 ARG A 14 -9.520 -13.556 -1.501 1.00 41.12 H new ATOM 0 HH21 ARG A 14 -6.574 -15.171 -2.576 1.00 23.42 H new ATOM 0 HH22 ARG A 14 -7.455 -13.642 -2.496 1.00 23.42 H new ATOM 223 N LYS A 15 -10.426 -20.656 -5.337 1.00 52.33 N ATOM 224 CA LYS A 15 -10.993 -20.655 -6.673 1.00 34.52 C ATOM 225 C LYS A 15 -11.668 -21.982 -6.976 1.00 41.25 C ATOM 226 O LYS A 15 -11.106 -23.055 -6.756 1.00 72.04 O ATOM 227 CB LYS A 15 -9.921 -20.364 -7.725 1.00 0.42 C ATOM 228 CG LYS A 15 -10.489 -20.124 -9.117 1.00 41.22 C ATOM 229 CD LYS A 15 -9.390 -20.008 -10.163 1.00 21.52 C ATOM 230 CE LYS A 15 -8.468 -18.833 -9.896 1.00 42.32 C ATOM 231 NZ LYS A 15 -9.176 -17.532 -9.977 1.00 13.43 N ATOM 0 H LYS A 15 -9.494 -21.065 -5.271 1.00 52.33 H new ATOM 0 HA LYS A 15 -11.742 -19.864 -6.712 1.00 34.52 H new ATOM 0 HB2 LYS A 15 -9.350 -19.488 -7.418 1.00 0.42 H new ATOM 0 HB3 LYS A 15 -9.224 -21.201 -7.764 1.00 0.42 H new ATOM 0 HG2 LYS A 15 -11.159 -20.942 -9.382 1.00 41.22 H new ATOM 0 HG3 LYS A 15 -11.086 -19.212 -9.114 1.00 41.22 H new ATOM 0 HD2 LYS A 15 -8.807 -20.929 -10.179 1.00 21.52 H new ATOM 0 HD3 LYS A 15 -9.840 -19.898 -11.150 1.00 21.52 H new ATOM 0 HE2 LYS A 15 -8.023 -18.941 -8.907 1.00 42.32 H new ATOM 0 HE3 LYS A 15 -7.650 -18.845 -10.617 1.00 42.32 H new ATOM 0 HZ1 LYS A 15 -8.496 -16.781 -10.211 1.00 13.43 H new ATOM 0 HZ2 LYS A 15 -9.907 -17.580 -10.715 1.00 13.43 H new ATOM 0 HZ3 LYS A 15 -9.622 -17.322 -9.061 1.00 13.43 H new ATOM 245 N LEU A 16 -12.887 -21.890 -7.457 1.00 64.10 N ATOM 246 CA LEU A 16 -13.634 -23.038 -7.916 1.00 2.45 C ATOM 247 C LEU A 16 -13.520 -23.178 -9.429 1.00 22.21 C ATOM 248 O LEU A 16 -13.694 -22.208 -10.169 1.00 31.24 O ATOM 249 CB LEU A 16 -15.101 -22.893 -7.514 1.00 41.55 C ATOM 250 CG LEU A 16 -15.526 -23.683 -6.276 1.00 34.54 C ATOM 251 CD1 LEU A 16 -17.029 -23.612 -6.087 1.00 33.12 C ATOM 252 CD2 LEU A 16 -15.078 -25.130 -6.371 1.00 34.43 C ATOM 0 H LEU A 16 -13.392 -21.008 -7.541 1.00 64.10 H new ATOM 0 HA LEU A 16 -13.221 -23.934 -7.453 1.00 2.45 H new ATOM 0 HB2 LEU A 16 -15.309 -21.837 -7.339 1.00 41.55 H new ATOM 0 HB3 LEU A 16 -15.722 -23.205 -8.354 1.00 41.55 H new ATOM 0 HG LEU A 16 -15.042 -23.231 -5.410 1.00 34.54 H new ATOM 0 HD11 LEU A 16 -17.312 -24.180 -5.201 1.00 33.12 H new ATOM 0 HD12 LEU A 16 -17.331 -22.572 -5.963 1.00 33.12 H new ATOM 0 HD13 LEU A 16 -17.526 -24.032 -6.961 1.00 33.12 H new ATOM 0 HD21 LEU A 16 -15.394 -25.668 -5.477 1.00 34.43 H new ATOM 0 HD22 LEU A 16 -15.526 -25.593 -7.250 1.00 34.43 H new ATOM 0 HD23 LEU A 16 -13.992 -25.170 -6.454 1.00 34.43 H new ATOM 264 N PHE A 17 -13.203 -24.380 -9.871 1.00 62.44 N ATOM 265 CA PHE A 17 -13.154 -24.702 -11.286 1.00 33.14 C ATOM 266 C PHE A 17 -14.519 -25.204 -11.728 1.00 24.22 C ATOM 267 O PHE A 17 -14.983 -26.243 -11.258 1.00 35.10 O ATOM 268 CB PHE A 17 -12.090 -25.773 -11.538 1.00 41.12 C ATOM 269 CG PHE A 17 -11.912 -26.160 -12.982 1.00 62.43 C ATOM 270 CD1 PHE A 17 -11.756 -27.489 -13.333 1.00 22.13 C ATOM 271 CD2 PHE A 17 -11.891 -25.204 -13.981 1.00 73.21 C ATOM 272 CE1 PHE A 17 -11.576 -27.858 -14.648 1.00 63.12 C ATOM 273 CE2 PHE A 17 -11.714 -25.565 -15.303 1.00 34.31 C ATOM 274 CZ PHE A 17 -11.554 -26.893 -15.637 1.00 73.02 C ATOM 0 H PHE A 17 -12.972 -25.162 -9.259 1.00 62.44 H new ATOM 0 HA PHE A 17 -12.893 -23.811 -11.858 1.00 33.14 H new ATOM 0 HB2 PHE A 17 -11.136 -25.414 -11.152 1.00 41.12 H new ATOM 0 HB3 PHE A 17 -12.350 -26.664 -10.967 1.00 41.12 H new ATOM 0 HD1 PHE A 17 -11.776 -28.248 -12.565 1.00 22.13 H new ATOM 0 HD2 PHE A 17 -12.014 -24.162 -13.725 1.00 73.21 H new ATOM 0 HE1 PHE A 17 -11.452 -28.900 -14.906 1.00 63.12 H new ATOM 0 HE2 PHE A 17 -11.701 -24.808 -16.073 1.00 34.31 H new ATOM 0 HZ PHE A 17 -11.412 -27.178 -16.669 1.00 73.02 H new ATOM 284 N ILE A 18 -15.166 -24.458 -12.608 1.00 2.14 N ATOM 285 CA ILE A 18 -16.516 -24.789 -13.030 1.00 22.31 C ATOM 286 C ILE A 18 -16.507 -25.329 -14.446 1.00 21.12 C ATOM 287 O ILE A 18 -16.479 -24.567 -15.411 1.00 34.43 O ATOM 288 CB ILE A 18 -17.452 -23.566 -12.967 1.00 64.12 C ATOM 289 CG1 ILE A 18 -17.273 -22.827 -11.641 1.00 52.12 C ATOM 290 CG2 ILE A 18 -18.900 -23.997 -13.145 1.00 2.23 C ATOM 291 CD1 ILE A 18 -17.418 -23.712 -10.422 1.00 4.11 C ATOM 0 H ILE A 18 -14.779 -23.621 -13.043 1.00 2.14 H new ATOM 0 HA ILE A 18 -16.890 -25.547 -12.342 1.00 22.31 H new ATOM 0 HB ILE A 18 -17.192 -22.887 -13.779 1.00 64.12 H new ATOM 0 HG12 ILE A 18 -16.287 -22.362 -11.625 1.00 52.12 H new ATOM 0 HG13 ILE A 18 -18.006 -22.022 -11.583 1.00 52.12 H new ATOM 0 HG21 ILE A 18 -19.548 -23.122 -13.098 1.00 2.23 H new ATOM 0 HG22 ILE A 18 -19.018 -24.485 -14.113 1.00 2.23 H new ATOM 0 HG23 ILE A 18 -19.172 -24.693 -12.352 1.00 2.23 H new ATOM 0 HD11 ILE A 18 -17.278 -23.116 -9.521 1.00 4.11 H new ATOM 0 HD12 ILE A 18 -18.413 -24.157 -10.412 1.00 4.11 H new ATOM 0 HD13 ILE A 18 -16.668 -24.502 -10.455 1.00 4.11 H new ATOM 303 N GLY A 19 -16.519 -26.641 -14.568 1.00 3.40 N ATOM 304 CA GLY A 19 -16.478 -27.247 -15.876 1.00 52.42 C ATOM 305 C GLY A 19 -17.815 -27.821 -16.288 1.00 42.11 C ATOM 306 O GLY A 19 -18.563 -28.342 -15.455 1.00 1.30 O ATOM 0 H GLY A 19 -16.556 -27.297 -13.788 1.00 3.40 H new ATOM 0 HA2 GLY A 19 -16.164 -26.503 -16.608 1.00 52.42 H new ATOM 0 HA3 GLY A 19 -15.728 -28.038 -15.883 1.00 52.42 H new ATOM 310 N GLY A 20 -18.119 -27.714 -17.572 1.00 63.03 N ATOM 311 CA GLY A 20 -19.329 -28.308 -18.100 1.00 74.41 C ATOM 312 C GLY A 20 -20.542 -27.423 -17.920 1.00 52.33 C ATOM 313 O GLY A 20 -21.587 -27.889 -17.472 1.00 3.33 O ATOM 0 H GLY A 20 -17.547 -27.225 -18.260 1.00 63.03 H new ATOM 0 HA2 GLY A 20 -19.192 -28.518 -19.161 1.00 74.41 H new ATOM 0 HA3 GLY A 20 -19.505 -29.263 -17.606 1.00 74.41 H new ATOM 317 N LEU A 21 -20.409 -26.150 -18.269 1.00 45.43 N ATOM 318 CA LEU A 21 -21.530 -25.223 -18.213 1.00 50.04 C ATOM 319 C LEU A 21 -21.980 -24.851 -19.621 1.00 21.03 C ATOM 320 O LEU A 21 -21.309 -25.180 -20.598 1.00 73.12 O ATOM 321 CB LEU A 21 -21.187 -23.978 -17.375 1.00 21.25 C ATOM 322 CG LEU A 21 -19.834 -23.316 -17.650 1.00 61.32 C ATOM 323 CD1 LEU A 21 -19.902 -22.401 -18.860 1.00 10.22 C ATOM 324 CD2 LEU A 21 -19.376 -22.539 -16.427 1.00 63.41 C ATOM 0 H LEU A 21 -19.535 -25.736 -18.594 1.00 45.43 H new ATOM 0 HA LEU A 21 -22.363 -25.719 -17.714 1.00 50.04 H new ATOM 0 HB2 LEU A 21 -21.968 -23.235 -17.534 1.00 21.25 H new ATOM 0 HB3 LEU A 21 -21.222 -24.256 -16.322 1.00 21.25 H new ATOM 0 HG LEU A 21 -19.111 -24.102 -17.866 1.00 61.32 H new ATOM 0 HD11 LEU A 21 -18.925 -21.947 -19.028 1.00 10.22 H new ATOM 0 HD12 LEU A 21 -20.189 -22.980 -19.738 1.00 10.22 H new ATOM 0 HD13 LEU A 21 -20.640 -21.619 -18.684 1.00 10.22 H new ATOM 0 HD21 LEU A 21 -18.413 -22.072 -16.632 1.00 63.41 H new ATOM 0 HD22 LEU A 21 -20.110 -21.769 -16.190 1.00 63.41 H new ATOM 0 HD23 LEU A 21 -19.276 -23.218 -15.581 1.00 63.41 H new ATOM 336 N SER A 22 -23.111 -24.169 -19.720 1.00 4.21 N ATOM 337 CA SER A 22 -23.722 -23.892 -21.009 1.00 24.23 C ATOM 338 C SER A 22 -22.940 -22.831 -21.774 1.00 43.20 C ATOM 339 O SER A 22 -22.120 -22.108 -21.205 1.00 23.13 O ATOM 340 CB SER A 22 -25.165 -23.427 -20.813 1.00 22.14 C ATOM 341 OG SER A 22 -25.206 -22.211 -20.089 1.00 32.31 O ATOM 0 H SER A 22 -23.624 -23.797 -18.921 1.00 4.21 H new ATOM 0 HA SER A 22 -23.710 -24.813 -21.593 1.00 24.23 H new ATOM 0 HB2 SER A 22 -25.644 -23.295 -21.783 1.00 22.14 H new ATOM 0 HB3 SER A 22 -25.730 -24.192 -20.280 1.00 22.14 H new ATOM 0 HG SER A 22 -26.039 -21.737 -20.293 1.00 32.31 H new ATOM 347 N PHE A 23 -23.216 -22.724 -23.063 1.00 31.45 N ATOM 348 CA PHE A 23 -22.586 -21.710 -23.893 1.00 4.33 C ATOM 349 C PHE A 23 -23.340 -20.394 -23.768 1.00 11.30 C ATOM 350 O PHE A 23 -23.018 -19.406 -24.432 1.00 31.53 O ATOM 351 CB PHE A 23 -22.538 -22.162 -25.351 1.00 60.24 C ATOM 352 CG PHE A 23 -21.698 -23.387 -25.567 1.00 54.12 C ATOM 353 CD1 PHE A 23 -22.260 -24.651 -25.492 1.00 74.24 C ATOM 354 CD2 PHE A 23 -20.345 -23.273 -25.840 1.00 75.32 C ATOM 355 CE1 PHE A 23 -21.487 -25.779 -25.685 1.00 14.44 C ATOM 356 CE2 PHE A 23 -19.567 -24.397 -26.034 1.00 62.44 C ATOM 357 CZ PHE A 23 -20.139 -25.652 -25.957 1.00 64.05 C ATOM 0 H PHE A 23 -23.873 -23.327 -23.558 1.00 31.45 H new ATOM 0 HA PHE A 23 -21.562 -21.563 -23.549 1.00 4.33 H new ATOM 0 HB2 PHE A 23 -23.553 -22.361 -25.696 1.00 60.24 H new ATOM 0 HB3 PHE A 23 -22.147 -21.349 -25.963 1.00 60.24 H new ATOM 0 HD1 PHE A 23 -23.314 -24.755 -25.280 1.00 74.24 H new ATOM 0 HD2 PHE A 23 -19.893 -22.294 -25.902 1.00 75.32 H new ATOM 0 HE1 PHE A 23 -21.936 -26.759 -25.623 1.00 14.44 H new ATOM 0 HE2 PHE A 23 -18.513 -24.295 -26.246 1.00 62.44 H new ATOM 0 HZ PHE A 23 -19.533 -26.533 -26.109 1.00 64.05 H new ATOM 367 N GLU A 24 -24.349 -20.391 -22.906 1.00 1.23 N ATOM 368 CA GLU A 24 -25.108 -19.188 -22.632 1.00 24.22 C ATOM 369 C GLU A 24 -24.686 -18.632 -21.282 1.00 74.43 C ATOM 370 O GLU A 24 -25.057 -17.519 -20.909 1.00 54.42 O ATOM 371 CB GLU A 24 -26.609 -19.480 -22.648 1.00 51.21 C ATOM 372 CG GLU A 24 -27.056 -20.270 -23.868 1.00 70.32 C ATOM 373 CD GLU A 24 -28.563 -20.298 -24.030 1.00 31.23 C ATOM 374 OE1 GLU A 24 -29.228 -21.112 -23.356 1.00 60.40 O ATOM 375 OE2 GLU A 24 -29.087 -19.507 -24.843 1.00 13.04 O ATOM 0 H GLU A 24 -24.657 -21.213 -22.386 1.00 1.23 H new ATOM 0 HA GLU A 24 -24.905 -18.450 -23.408 1.00 24.22 H new ATOM 0 HB2 GLU A 24 -26.874 -20.035 -21.748 1.00 51.21 H new ATOM 0 HB3 GLU A 24 -27.156 -18.538 -22.614 1.00 51.21 H new ATOM 0 HG2 GLU A 24 -26.607 -19.835 -24.761 1.00 70.32 H new ATOM 0 HG3 GLU A 24 -26.685 -21.292 -23.790 1.00 70.32 H new ATOM 382 N THR A 25 -23.889 -19.417 -20.562 1.00 33.13 N ATOM 383 CA THR A 25 -23.349 -18.996 -19.280 1.00 64.43 C ATOM 384 C THR A 25 -22.400 -17.813 -19.455 1.00 11.52 C ATOM 385 O THR A 25 -21.246 -17.976 -19.857 1.00 43.31 O ATOM 386 CB THR A 25 -22.596 -20.144 -18.576 1.00 12.34 C ATOM 387 OG1 THR A 25 -23.470 -21.257 -18.355 1.00 45.44 O ATOM 388 CG2 THR A 25 -22.032 -19.684 -17.241 1.00 73.03 C ATOM 0 H THR A 25 -23.604 -20.353 -20.850 1.00 33.13 H new ATOM 0 HA THR A 25 -24.195 -18.699 -18.660 1.00 64.43 H new ATOM 0 HB THR A 25 -21.775 -20.448 -19.226 1.00 12.34 H new ATOM 0 HG1 THR A 25 -23.850 -21.549 -19.210 1.00 45.44 H new ATOM 0 HG21 THR A 25 -21.506 -20.511 -16.764 1.00 73.03 H new ATOM 0 HG22 THR A 25 -21.339 -18.859 -17.404 1.00 73.03 H new ATOM 0 HG23 THR A 25 -22.846 -19.352 -16.597 1.00 73.03 H new ATOM 396 N THR A 26 -22.907 -16.624 -19.190 1.00 31.04 N ATOM 397 CA THR A 26 -22.095 -15.424 -19.211 1.00 72.32 C ATOM 398 C THR A 26 -21.602 -15.118 -17.808 1.00 2.25 C ATOM 399 O THR A 26 -22.195 -15.572 -16.828 1.00 22.00 O ATOM 400 CB THR A 26 -22.872 -14.225 -19.802 1.00 13.35 C ATOM 401 OG1 THR A 26 -22.114 -13.016 -19.679 1.00 62.11 O ATOM 402 CG2 THR A 26 -24.223 -14.057 -19.127 1.00 40.34 C ATOM 0 H THR A 26 -23.887 -16.464 -18.956 1.00 31.04 H new ATOM 0 HA THR A 26 -21.236 -15.597 -19.859 1.00 72.32 H new ATOM 0 HB THR A 26 -23.037 -14.433 -20.859 1.00 13.35 H new ATOM 0 HG1 THR A 26 -22.623 -12.271 -20.061 1.00 62.11 H new ATOM 0 HG21 THR A 26 -24.745 -13.206 -19.564 1.00 40.34 H new ATOM 0 HG22 THR A 26 -24.816 -14.960 -19.271 1.00 40.34 H new ATOM 0 HG23 THR A 26 -24.078 -13.885 -18.061 1.00 40.34 H new ATOM 410 N ASP A 27 -20.511 -14.367 -17.724 1.00 33.33 N ATOM 411 CA ASP A 27 -19.849 -14.075 -16.456 1.00 4.12 C ATOM 412 C ASP A 27 -20.833 -13.554 -15.419 1.00 41.11 C ATOM 413 O ASP A 27 -20.800 -13.960 -14.256 1.00 24.00 O ATOM 414 CB ASP A 27 -18.744 -13.042 -16.666 1.00 71.54 C ATOM 415 CG ASP A 27 -17.649 -13.519 -17.596 1.00 12.44 C ATOM 416 OD1 ASP A 27 -16.621 -14.016 -17.102 1.00 40.43 O ATOM 417 OD2 ASP A 27 -17.803 -13.372 -18.826 1.00 40.00 O ATOM 0 H ASP A 27 -20.059 -13.942 -18.533 1.00 33.33 H new ATOM 0 HA ASP A 27 -19.420 -15.007 -16.087 1.00 4.12 H new ATOM 0 HB2 ASP A 27 -19.182 -12.129 -17.069 1.00 71.54 H new ATOM 0 HB3 ASP A 27 -18.306 -12.787 -15.701 1.00 71.54 H new ATOM 422 N GLU A 28 -21.720 -12.671 -15.852 1.00 74.35 N ATOM 423 CA GLU A 28 -22.694 -12.068 -14.956 1.00 60.01 C ATOM 424 C GLU A 28 -23.671 -13.110 -14.419 1.00 52.30 C ATOM 425 O GLU A 28 -24.009 -13.093 -13.236 1.00 1.03 O ATOM 426 CB GLU A 28 -23.440 -10.934 -15.662 1.00 2.23 C ATOM 427 CG GLU A 28 -24.143 -11.358 -16.940 1.00 21.31 C ATOM 428 CD GLU A 28 -24.885 -10.218 -17.601 1.00 14.11 C ATOM 429 OE1 GLU A 28 -26.041 -9.956 -17.217 1.00 3.43 O ATOM 430 OE2 GLU A 28 -24.316 -9.576 -18.507 1.00 12.31 O ATOM 0 H GLU A 28 -21.785 -12.356 -16.820 1.00 74.35 H new ATOM 0 HA GLU A 28 -22.157 -11.650 -14.105 1.00 60.01 H new ATOM 0 HB2 GLU A 28 -24.177 -10.515 -14.976 1.00 2.23 H new ATOM 0 HB3 GLU A 28 -22.733 -10.138 -15.895 1.00 2.23 H new ATOM 0 HG2 GLU A 28 -23.409 -11.762 -17.637 1.00 21.31 H new ATOM 0 HG3 GLU A 28 -24.845 -12.161 -16.715 1.00 21.31 H new ATOM 437 N SER A 29 -24.101 -14.032 -15.272 1.00 63.45 N ATOM 438 CA SER A 29 -24.999 -15.088 -14.834 1.00 61.23 C ATOM 439 C SER A 29 -24.241 -16.061 -13.948 1.00 10.04 C ATOM 440 O SER A 29 -24.748 -16.522 -12.929 1.00 64.40 O ATOM 441 CB SER A 29 -25.593 -15.824 -16.035 1.00 4.33 C ATOM 442 OG SER A 29 -26.256 -14.926 -16.907 1.00 54.32 O ATOM 0 H SER A 29 -23.845 -14.069 -16.259 1.00 63.45 H new ATOM 0 HA SER A 29 -25.818 -14.643 -14.268 1.00 61.23 H new ATOM 0 HB2 SER A 29 -24.801 -16.343 -16.576 1.00 4.33 H new ATOM 0 HB3 SER A 29 -26.294 -16.584 -15.689 1.00 4.33 H new ATOM 0 HG SER A 29 -26.625 -15.421 -17.668 1.00 54.32 H new ATOM 448 N LEU A 30 -22.997 -16.321 -14.327 1.00 42.41 N ATOM 449 CA LEU A 30 -22.163 -17.287 -13.634 1.00 61.22 C ATOM 450 C LEU A 30 -21.955 -16.850 -12.190 1.00 34.34 C ATOM 451 O LEU A 30 -22.158 -17.632 -11.262 1.00 2.51 O ATOM 452 CB LEU A 30 -20.823 -17.438 -14.372 1.00 44.42 C ATOM 453 CG LEU A 30 -19.954 -18.648 -13.990 1.00 14.24 C ATOM 454 CD1 LEU A 30 -19.244 -18.427 -12.668 1.00 13.15 C ATOM 455 CD2 LEU A 30 -20.791 -19.917 -13.935 1.00 1.44 C ATOM 0 H LEU A 30 -22.541 -15.869 -15.120 1.00 42.41 H new ATOM 0 HA LEU A 30 -22.657 -18.259 -13.624 1.00 61.22 H new ATOM 0 HB2 LEU A 30 -21.028 -17.491 -15.441 1.00 44.42 H new ATOM 0 HB3 LEU A 30 -20.239 -16.533 -14.204 1.00 44.42 H new ATOM 0 HG LEU A 30 -19.195 -18.763 -14.764 1.00 14.24 H new ATOM 0 HD11 LEU A 30 -18.639 -19.302 -12.429 1.00 13.15 H new ATOM 0 HD12 LEU A 30 -18.601 -17.550 -12.743 1.00 13.15 H new ATOM 0 HD13 LEU A 30 -19.981 -18.270 -11.881 1.00 13.15 H new ATOM 0 HD21 LEU A 30 -20.156 -20.760 -13.663 1.00 1.44 H new ATOM 0 HD22 LEU A 30 -21.579 -19.801 -13.191 1.00 1.44 H new ATOM 0 HD23 LEU A 30 -21.239 -20.100 -14.912 1.00 1.44 H new ATOM 467 N ARG A 31 -21.577 -15.591 -11.998 1.00 14.01 N ATOM 468 CA ARG A 31 -21.340 -15.087 -10.657 1.00 44.32 C ATOM 469 C ARG A 31 -22.638 -15.093 -9.852 1.00 4.15 C ATOM 470 O ARG A 31 -22.642 -15.477 -8.693 1.00 71.33 O ATOM 471 CB ARG A 31 -20.711 -13.682 -10.682 1.00 53.53 C ATOM 472 CG ARG A 31 -21.708 -12.537 -10.618 1.00 54.14 C ATOM 473 CD ARG A 31 -21.018 -11.187 -10.710 1.00 35.10 C ATOM 474 NE ARG A 31 -20.222 -10.901 -9.519 1.00 34.01 N ATOM 475 CZ ARG A 31 -19.170 -10.088 -9.499 1.00 51.20 C ATOM 476 NH1 ARG A 31 -18.740 -9.514 -10.619 1.00 13.13 N ATOM 477 NH2 ARG A 31 -18.546 -9.855 -8.350 1.00 13.04 N ATOM 0 H ARG A 31 -21.431 -14.912 -12.745 1.00 14.01 H new ATOM 0 HA ARG A 31 -20.626 -15.750 -10.169 1.00 44.32 H new ATOM 0 HB2 ARG A 31 -20.022 -13.593 -9.842 1.00 53.53 H new ATOM 0 HB3 ARG A 31 -20.120 -13.580 -11.592 1.00 53.53 H new ATOM 0 HG2 ARG A 31 -22.427 -12.635 -11.431 1.00 54.14 H new ATOM 0 HG3 ARG A 31 -22.271 -12.596 -9.686 1.00 54.14 H new ATOM 0 HD2 ARG A 31 -20.375 -11.167 -11.590 1.00 35.10 H new ATOM 0 HD3 ARG A 31 -21.766 -10.405 -10.844 1.00 35.10 H new ATOM 0 HE ARG A 31 -20.491 -11.355 -8.646 1.00 34.01 H new ATOM 0 HH11 ARG A 31 -19.218 -9.696 -11.501 1.00 13.13 H new ATOM 0 HH12 ARG A 31 -17.932 -8.892 -10.595 1.00 13.13 H new ATOM 0 HH21 ARG A 31 -18.875 -10.298 -7.492 1.00 13.04 H new ATOM 0 HH22 ARG A 31 -17.738 -9.233 -8.325 1.00 13.04 H new ATOM 491 N SER A 32 -23.744 -14.717 -10.487 1.00 42.42 N ATOM 492 CA SER A 32 -25.028 -14.631 -9.797 1.00 12.42 C ATOM 493 C SER A 32 -25.439 -15.980 -9.208 1.00 71.13 C ATOM 494 O SER A 32 -25.977 -16.047 -8.103 1.00 13.34 O ATOM 495 CB SER A 32 -26.109 -14.125 -10.752 1.00 52.54 C ATOM 496 OG SER A 32 -25.780 -12.845 -11.267 1.00 72.34 O ATOM 0 H SER A 32 -23.778 -14.468 -11.475 1.00 42.42 H new ATOM 0 HA SER A 32 -24.916 -13.925 -8.974 1.00 12.42 H new ATOM 0 HB2 SER A 32 -26.231 -14.830 -11.574 1.00 52.54 H new ATOM 0 HB3 SER A 32 -27.065 -14.075 -10.230 1.00 52.54 H new ATOM 0 HG SER A 32 -25.103 -12.939 -11.969 1.00 72.34 H new ATOM 502 N HIS A 33 -25.167 -17.055 -9.937 1.00 75.12 N ATOM 503 CA HIS A 33 -25.535 -18.388 -9.482 1.00 43.31 C ATOM 504 C HIS A 33 -24.560 -18.912 -8.433 1.00 14.44 C ATOM 505 O HIS A 33 -24.894 -19.808 -7.670 1.00 61.43 O ATOM 506 CB HIS A 33 -25.612 -19.367 -10.658 1.00 62.22 C ATOM 507 CG HIS A 33 -26.804 -19.161 -11.547 1.00 65.25 C ATOM 508 ND1 HIS A 33 -27.929 -19.936 -11.428 1.00 22.43 N ATOM 509 CD2 HIS A 33 -26.985 -18.278 -12.555 1.00 15.15 C ATOM 510 CE1 HIS A 33 -28.762 -19.510 -12.361 1.00 64.12 C ATOM 511 NE2 HIS A 33 -28.234 -18.505 -13.069 1.00 53.50 N ATOM 0 H HIS A 33 -24.695 -17.030 -10.841 1.00 75.12 H new ATOM 0 HA HIS A 33 -26.520 -18.310 -9.023 1.00 43.31 H new ATOM 0 HB2 HIS A 33 -24.705 -19.273 -11.256 1.00 62.22 H new ATOM 0 HB3 HIS A 33 -25.633 -20.385 -10.269 1.00 62.22 H new ATOM 0 HD2 HIS A 33 -26.278 -17.534 -12.891 1.00 15.15 H new ATOM 0 HE1 HIS A 33 -29.746 -19.922 -12.531 1.00 64.12 H new ATOM 0 HE2 HIS A 33 -28.676 -18.005 -13.841 1.00 53.50 H new ATOM 519 N PHE A 34 -23.361 -18.352 -8.381 1.00 33.45 N ATOM 520 CA PHE A 34 -22.351 -18.837 -7.446 1.00 64.03 C ATOM 521 C PHE A 34 -22.196 -17.923 -6.232 1.00 45.14 C ATOM 522 O PHE A 34 -21.715 -18.359 -5.186 1.00 14.01 O ATOM 523 CB PHE A 34 -21.009 -19.035 -8.151 1.00 43.10 C ATOM 524 CG PHE A 34 -20.926 -20.334 -8.901 1.00 13.35 C ATOM 525 CD1 PHE A 34 -20.357 -21.449 -8.307 1.00 3.22 C ATOM 526 CD2 PHE A 34 -21.422 -20.447 -10.187 1.00 32.32 C ATOM 527 CE1 PHE A 34 -20.286 -22.649 -8.982 1.00 71.22 C ATOM 528 CE2 PHE A 34 -21.352 -21.645 -10.870 1.00 1.13 C ATOM 529 CZ PHE A 34 -20.784 -22.749 -10.266 1.00 34.42 C ATOM 0 H PHE A 34 -23.064 -17.571 -8.966 1.00 33.45 H new ATOM 0 HA PHE A 34 -22.697 -19.802 -7.076 1.00 64.03 H new ATOM 0 HB2 PHE A 34 -20.844 -18.210 -8.844 1.00 43.10 H new ATOM 0 HB3 PHE A 34 -20.208 -18.996 -7.413 1.00 43.10 H new ATOM 0 HD1 PHE A 34 -19.964 -21.377 -7.303 1.00 3.22 H new ATOM 0 HD2 PHE A 34 -21.870 -19.587 -10.663 1.00 32.32 H new ATOM 0 HE1 PHE A 34 -19.841 -23.511 -8.507 1.00 71.22 H new ATOM 0 HE2 PHE A 34 -21.741 -21.718 -11.875 1.00 1.13 H new ATOM 0 HZ PHE A 34 -20.729 -23.688 -10.796 1.00 34.42 H new ATOM 539 N GLU A 35 -22.627 -16.670 -6.351 1.00 60.44 N ATOM 540 CA GLU A 35 -22.576 -15.731 -5.228 1.00 73.25 C ATOM 541 C GLU A 35 -23.683 -16.024 -4.220 1.00 24.30 C ATOM 542 O GLU A 35 -23.966 -15.218 -3.337 1.00 42.43 O ATOM 543 CB GLU A 35 -22.689 -14.282 -5.707 1.00 31.23 C ATOM 544 CG GLU A 35 -21.494 -13.807 -6.513 1.00 1.44 C ATOM 545 CD GLU A 35 -21.559 -12.332 -6.840 1.00 14.14 C ATOM 546 OE1 GLU A 35 -20.492 -11.687 -6.912 1.00 61.31 O ATOM 547 OE2 GLU A 35 -22.673 -11.805 -7.018 1.00 75.23 O ATOM 0 H GLU A 35 -23.015 -16.280 -7.210 1.00 60.44 H new ATOM 0 HA GLU A 35 -21.609 -15.863 -4.742 1.00 73.25 H new ATOM 0 HB2 GLU A 35 -23.589 -14.179 -6.314 1.00 31.23 H new ATOM 0 HB3 GLU A 35 -22.813 -13.632 -4.841 1.00 31.23 H new ATOM 0 HG2 GLU A 35 -20.580 -14.011 -5.955 1.00 1.44 H new ATOM 0 HG3 GLU A 35 -21.436 -14.378 -7.440 1.00 1.44 H new ATOM 554 N GLN A 36 -24.300 -17.186 -4.358 1.00 24.22 N ATOM 555 CA GLN A 36 -25.368 -17.601 -3.465 1.00 2.43 C ATOM 556 C GLN A 36 -24.818 -18.384 -2.278 1.00 43.23 C ATOM 557 O GLN A 36 -25.429 -18.424 -1.212 1.00 51.42 O ATOM 558 CB GLN A 36 -26.383 -18.444 -4.229 1.00 62.42 C ATOM 559 CG GLN A 36 -27.366 -17.614 -5.045 1.00 70.13 C ATOM 560 CD GLN A 36 -28.160 -18.433 -6.052 1.00 61.31 C ATOM 561 OE1 GLN A 36 -29.322 -18.138 -6.331 1.00 43.32 O ATOM 562 NE2 GLN A 36 -27.529 -19.440 -6.635 1.00 1.13 N ATOM 0 H GLN A 36 -24.076 -17.864 -5.087 1.00 24.22 H new ATOM 0 HA GLN A 36 -25.860 -16.708 -3.079 1.00 2.43 H new ATOM 0 HB2 GLN A 36 -25.852 -19.124 -4.895 1.00 62.42 H new ATOM 0 HB3 GLN A 36 -26.938 -19.060 -3.522 1.00 62.42 H new ATOM 0 HG2 GLN A 36 -28.059 -17.115 -4.367 1.00 70.13 H new ATOM 0 HG3 GLN A 36 -26.819 -16.833 -5.574 1.00 70.13 H new ATOM 0 HE21 GLN A 36 -26.566 -19.655 -6.378 1.00 1.13 H new ATOM 0 HE22 GLN A 36 -28.006 -20.001 -7.341 1.00 1.13 H new ATOM 571 N TRP A 37 -23.661 -19.004 -2.464 1.00 21.51 N ATOM 572 CA TRP A 37 -23.036 -19.773 -1.398 1.00 72.34 C ATOM 573 C TRP A 37 -21.748 -19.101 -0.949 1.00 20.14 C ATOM 574 O TRP A 37 -20.944 -19.692 -0.227 1.00 42.11 O ATOM 575 CB TRP A 37 -22.760 -21.214 -1.850 1.00 22.11 C ATOM 576 CG TRP A 37 -24.010 -21.991 -2.150 1.00 62.52 C ATOM 577 CD1 TRP A 37 -24.701 -22.792 -1.289 1.00 21.21 C ATOM 578 CD2 TRP A 37 -24.717 -22.044 -3.393 1.00 34.04 C ATOM 579 NE1 TRP A 37 -25.796 -23.328 -1.914 1.00 33.13 N ATOM 580 CE2 TRP A 37 -25.829 -22.886 -3.206 1.00 70.00 C ATOM 581 CE3 TRP A 37 -24.523 -21.459 -4.643 1.00 41.53 C ATOM 582 CZ2 TRP A 37 -26.740 -23.156 -4.223 1.00 42.30 C ATOM 583 CZ3 TRP A 37 -25.427 -21.731 -5.649 1.00 63.10 C ATOM 584 CH2 TRP A 37 -26.522 -22.572 -5.436 1.00 52.12 C ATOM 0 H TRP A 37 -23.138 -18.990 -3.340 1.00 21.51 H new ATOM 0 HA TRP A 37 -23.725 -19.810 -0.554 1.00 72.34 H new ATOM 0 HB2 TRP A 37 -22.130 -21.194 -2.739 1.00 22.11 H new ATOM 0 HB3 TRP A 37 -22.197 -21.730 -1.072 1.00 22.11 H new ATOM 0 HD1 TRP A 37 -24.424 -22.977 -0.262 1.00 21.21 H new ATOM 0 HE1 TRP A 37 -26.476 -23.955 -1.484 1.00 33.13 H new ATOM 0 HE3 TRP A 37 -23.682 -20.806 -4.821 1.00 41.53 H new ATOM 0 HZ2 TRP A 37 -27.588 -23.804 -4.058 1.00 42.30 H new ATOM 0 HZ3 TRP A 37 -25.285 -21.284 -6.622 1.00 63.10 H new ATOM 0 HH2 TRP A 37 -27.209 -22.763 -6.247 1.00 52.12 H new ATOM 595 N GLY A 38 -21.565 -17.857 -1.370 1.00 33.13 N ATOM 596 CA GLY A 38 -20.378 -17.116 -0.986 1.00 51.22 C ATOM 597 C GLY A 38 -20.193 -15.840 -1.785 1.00 12.34 C ATOM 598 O GLY A 38 -21.114 -15.388 -2.462 1.00 61.12 O ATOM 0 H GLY A 38 -22.215 -17.348 -1.969 1.00 33.13 H new ATOM 0 HA2 GLY A 38 -20.437 -16.869 0.074 1.00 51.22 H new ATOM 0 HA3 GLY A 38 -19.502 -17.751 -1.117 1.00 51.22 H new ATOM 602 N THR A 39 -19.002 -15.266 -1.697 1.00 61.35 N ATOM 603 CA THR A 39 -18.675 -14.031 -2.398 1.00 23.43 C ATOM 604 C THR A 39 -17.575 -14.280 -3.428 1.00 52.14 C ATOM 605 O THR A 39 -16.488 -14.716 -3.076 1.00 33.22 O ATOM 606 CB THR A 39 -18.199 -12.954 -1.399 1.00 34.52 C ATOM 607 OG1 THR A 39 -19.263 -12.601 -0.500 1.00 23.21 O ATOM 608 CG2 THR A 39 -17.703 -11.712 -2.121 1.00 52.32 C ATOM 0 H THR A 39 -18.236 -15.642 -1.139 1.00 61.35 H new ATOM 0 HA THR A 39 -19.574 -13.681 -2.905 1.00 23.43 H new ATOM 0 HB THR A 39 -17.370 -13.373 -0.829 1.00 34.52 H new ATOM 0 HG1 THR A 39 -18.947 -11.919 0.129 1.00 23.21 H new ATOM 0 HG21 THR A 39 -17.375 -10.973 -1.390 1.00 52.32 H new ATOM 0 HG22 THR A 39 -16.868 -11.977 -2.769 1.00 52.32 H new ATOM 0 HG23 THR A 39 -18.510 -11.294 -2.723 1.00 52.32 H new ATOM 616 N LEU A 40 -17.848 -14.007 -4.697 1.00 13.43 N ATOM 617 CA LEU A 40 -16.847 -14.232 -5.731 1.00 24.34 C ATOM 618 C LEU A 40 -16.006 -12.988 -5.944 1.00 0.52 C ATOM 619 O LEU A 40 -16.466 -12.002 -6.523 1.00 74.14 O ATOM 620 CB LEU A 40 -17.498 -14.650 -7.045 1.00 14.34 C ATOM 621 CG LEU A 40 -18.471 -15.809 -6.917 1.00 40.44 C ATOM 622 CD1 LEU A 40 -19.245 -16.001 -8.203 1.00 31.05 C ATOM 623 CD2 LEU A 40 -17.727 -17.069 -6.529 1.00 14.44 C ATOM 0 H LEU A 40 -18.737 -13.636 -5.031 1.00 13.43 H new ATOM 0 HA LEU A 40 -16.200 -15.042 -5.393 1.00 24.34 H new ATOM 0 HB2 LEU A 40 -18.024 -13.793 -7.465 1.00 14.34 H new ATOM 0 HB3 LEU A 40 -16.716 -14.923 -7.754 1.00 14.34 H new ATOM 0 HG LEU A 40 -19.191 -15.582 -6.131 1.00 40.44 H new ATOM 0 HD11 LEU A 40 -19.936 -16.836 -8.090 1.00 31.05 H new ATOM 0 HD12 LEU A 40 -19.805 -15.094 -8.429 1.00 31.05 H new ATOM 0 HD13 LEU A 40 -18.551 -16.212 -9.017 1.00 31.05 H new ATOM 0 HD21 LEU A 40 -18.432 -17.895 -6.439 1.00 14.44 H new ATOM 0 HD22 LEU A 40 -16.987 -17.305 -7.294 1.00 14.44 H new ATOM 0 HD23 LEU A 40 -17.225 -16.915 -5.574 1.00 14.44 H new ATOM 635 N THR A 41 -14.776 -13.044 -5.471 1.00 1.20 N ATOM 636 CA THR A 41 -13.839 -11.954 -5.626 1.00 73.32 C ATOM 637 C THR A 41 -13.329 -11.928 -7.058 1.00 33.22 C ATOM 638 O THR A 41 -12.985 -10.875 -7.601 1.00 31.23 O ATOM 639 CB THR A 41 -12.656 -12.123 -4.657 1.00 15.34 C ATOM 640 OG1 THR A 41 -11.944 -13.328 -4.961 1.00 44.12 O ATOM 641 CG2 THR A 41 -13.149 -12.189 -3.224 1.00 23.41 C ATOM 0 H THR A 41 -14.400 -13.848 -4.968 1.00 1.20 H new ATOM 0 HA THR A 41 -14.345 -11.016 -5.399 1.00 73.32 H new ATOM 0 HB THR A 41 -11.995 -11.264 -4.771 1.00 15.34 H new ATOM 0 HG1 THR A 41 -11.191 -13.428 -4.341 1.00 44.12 H new ATOM 0 HG21 THR A 41 -12.299 -12.309 -2.552 1.00 23.41 H new ATOM 0 HG22 THR A 41 -13.679 -11.269 -2.979 1.00 23.41 H new ATOM 0 HG23 THR A 41 -13.824 -13.037 -3.110 1.00 23.41 H new ATOM 649 N ASP A 42 -13.314 -13.108 -7.664 1.00 14.04 N ATOM 650 CA ASP A 42 -12.870 -13.277 -9.032 1.00 61.25 C ATOM 651 C ASP A 42 -13.762 -14.264 -9.755 1.00 53.24 C ATOM 652 O ASP A 42 -13.626 -15.474 -9.594 1.00 31.04 O ATOM 653 CB ASP A 42 -11.428 -13.770 -9.068 1.00 34.25 C ATOM 654 CG ASP A 42 -10.966 -14.123 -10.468 1.00 13.53 C ATOM 655 OD1 ASP A 42 -10.991 -13.235 -11.345 1.00 23.51 O ATOM 656 OD2 ASP A 42 -10.564 -15.287 -10.682 1.00 73.22 O ATOM 0 H ASP A 42 -13.611 -13.974 -7.215 1.00 14.04 H new ATOM 0 HA ASP A 42 -12.927 -12.310 -9.532 1.00 61.25 H new ATOM 0 HB2 ASP A 42 -10.775 -13.000 -8.657 1.00 34.25 H new ATOM 0 HB3 ASP A 42 -11.331 -14.646 -8.426 1.00 34.25 H new ATOM 661 N CYS A 43 -14.697 -13.750 -10.517 1.00 74.42 N ATOM 662 CA CYS A 43 -15.566 -14.596 -11.301 1.00 0.11 C ATOM 663 C CYS A 43 -15.289 -14.385 -12.778 1.00 3.30 C ATOM 664 O CYS A 43 -15.170 -13.246 -13.235 1.00 4.55 O ATOM 665 CB CYS A 43 -17.029 -14.298 -10.979 1.00 73.20 C ATOM 666 SG CYS A 43 -17.471 -12.554 -11.132 1.00 3.53 S ATOM 0 H CYS A 43 -14.876 -12.750 -10.611 1.00 74.42 H new ATOM 0 HA CYS A 43 -15.369 -15.639 -11.052 1.00 0.11 H new ATOM 0 HB2 CYS A 43 -17.664 -14.883 -11.644 1.00 73.20 H new ATOM 0 HB3 CYS A 43 -17.242 -14.629 -9.962 1.00 73.20 H new ATOM 0 HG CYS A 43 -16.775 -12.012 -12.087 1.00 3.53 H new ATOM 672 N VAL A 44 -15.156 -15.474 -13.515 1.00 31.15 N ATOM 673 CA VAL A 44 -14.871 -15.381 -14.935 1.00 15.15 C ATOM 674 C VAL A 44 -15.173 -16.692 -15.649 1.00 43.14 C ATOM 675 O VAL A 44 -14.754 -17.766 -15.218 1.00 64.12 O ATOM 676 CB VAL A 44 -13.399 -14.964 -15.191 1.00 12.13 C ATOM 677 CG1 VAL A 44 -12.422 -15.940 -14.547 1.00 22.11 C ATOM 678 CG2 VAL A 44 -13.123 -14.835 -16.683 1.00 74.45 C ATOM 0 H VAL A 44 -15.240 -16.425 -13.157 1.00 31.15 H new ATOM 0 HA VAL A 44 -15.524 -14.608 -15.341 1.00 15.15 H new ATOM 0 HB VAL A 44 -13.249 -13.989 -14.727 1.00 12.13 H new ATOM 0 HG11 VAL A 44 -11.400 -15.617 -14.747 1.00 22.11 H new ATOM 0 HG12 VAL A 44 -12.591 -15.966 -13.470 1.00 22.11 H new ATOM 0 HG13 VAL A 44 -12.575 -16.936 -14.963 1.00 22.11 H new ATOM 0 HG21 VAL A 44 -12.085 -14.542 -16.837 1.00 74.45 H new ATOM 0 HG22 VAL A 44 -13.306 -15.792 -17.171 1.00 74.45 H new ATOM 0 HG23 VAL A 44 -13.781 -14.078 -17.111 1.00 74.45 H new ATOM 688 N VAL A 45 -15.928 -16.599 -16.726 1.00 23.12 N ATOM 689 CA VAL A 45 -16.172 -17.742 -17.586 1.00 62.13 C ATOM 690 C VAL A 45 -15.137 -17.741 -18.691 1.00 72.02 C ATOM 691 O VAL A 45 -14.898 -16.705 -19.309 1.00 15.45 O ATOM 692 CB VAL A 45 -17.584 -17.702 -18.212 1.00 62.53 C ATOM 693 CG1 VAL A 45 -17.835 -18.937 -19.068 1.00 23.13 C ATOM 694 CG2 VAL A 45 -18.645 -17.576 -17.134 1.00 1.32 C ATOM 0 H VAL A 45 -16.386 -15.739 -17.028 1.00 23.12 H new ATOM 0 HA VAL A 45 -16.103 -18.647 -16.983 1.00 62.13 H new ATOM 0 HB VAL A 45 -17.642 -16.825 -18.856 1.00 62.53 H new ATOM 0 HG11 VAL A 45 -18.836 -18.885 -19.497 1.00 23.13 H new ATOM 0 HG12 VAL A 45 -17.098 -18.980 -19.870 1.00 23.13 H new ATOM 0 HG13 VAL A 45 -17.751 -19.831 -18.450 1.00 23.13 H new ATOM 0 HG21 VAL A 45 -19.632 -17.550 -17.596 1.00 1.32 H new ATOM 0 HG22 VAL A 45 -18.583 -18.431 -16.460 1.00 1.32 H new ATOM 0 HG23 VAL A 45 -18.484 -16.657 -16.570 1.00 1.32 H new ATOM 704 N MET A 46 -14.504 -18.877 -18.940 1.00 71.44 N ATOM 705 CA MET A 46 -13.495 -18.928 -19.977 1.00 30.52 C ATOM 706 C MET A 46 -14.134 -18.754 -21.331 1.00 71.34 C ATOM 707 O MET A 46 -15.047 -19.488 -21.718 1.00 55.44 O ATOM 708 CB MET A 46 -12.669 -20.205 -19.935 1.00 73.05 C ATOM 709 CG MET A 46 -11.700 -20.232 -18.776 1.00 53.00 C ATOM 710 SD MET A 46 -10.601 -18.808 -18.801 1.00 73.25 S ATOM 711 CE MET A 46 -9.745 -19.029 -17.253 1.00 53.15 C ATOM 0 H MET A 46 -14.668 -19.756 -18.449 1.00 71.44 H new ATOM 0 HA MET A 46 -12.804 -18.105 -19.792 1.00 30.52 H new ATOM 0 HB2 MET A 46 -13.337 -21.063 -19.865 1.00 73.05 H new ATOM 0 HB3 MET A 46 -12.116 -20.307 -20.869 1.00 73.05 H new ATOM 0 HG2 MET A 46 -12.254 -20.249 -17.838 1.00 53.00 H new ATOM 0 HG3 MET A 46 -11.111 -21.148 -18.814 1.00 53.00 H new ATOM 0 HE1 MET A 46 -8.877 -18.371 -17.220 1.00 53.15 H new ATOM 0 HE2 MET A 46 -10.415 -18.786 -16.429 1.00 53.15 H new ATOM 0 HE3 MET A 46 -9.419 -20.065 -17.162 1.00 53.15 H new ATOM 856 N ARG A 55 -16.706 -20.802 -23.519 1.00 55.40 N ATOM 857 CA ARG A 55 -16.153 -22.068 -23.981 1.00 51.45 C ATOM 858 C ARG A 55 -16.891 -23.269 -23.400 1.00 43.24 C ATOM 859 O ARG A 55 -16.772 -24.382 -23.909 1.00 21.23 O ATOM 860 CB ARG A 55 -14.672 -22.156 -23.616 1.00 71.24 C ATOM 861 CG ARG A 55 -13.767 -21.338 -24.526 1.00 21.54 C ATOM 862 CD ARG A 55 -12.301 -21.673 -24.306 1.00 22.43 C ATOM 863 NE ARG A 55 -12.008 -23.065 -24.642 1.00 24.21 N ATOM 864 CZ ARG A 55 -10.807 -23.633 -24.521 1.00 60.24 C ATOM 865 NH1 ARG A 55 -9.762 -22.931 -24.099 1.00 3.53 N ATOM 866 NH2 ARG A 55 -10.651 -24.913 -24.834 1.00 14.42 N ATOM 0 HA ARG A 55 -16.275 -22.095 -25.064 1.00 51.45 H new ATOM 0 HB2 ARG A 55 -14.540 -21.818 -22.588 1.00 71.24 H new ATOM 0 HB3 ARG A 55 -14.360 -23.200 -23.651 1.00 71.24 H new ATOM 0 HG2 ARG A 55 -14.031 -21.526 -25.567 1.00 21.54 H new ATOM 0 HG3 ARG A 55 -13.930 -20.276 -24.342 1.00 21.54 H new ATOM 0 HD2 ARG A 55 -11.682 -21.014 -24.914 1.00 22.43 H new ATOM 0 HD3 ARG A 55 -12.037 -21.487 -23.265 1.00 22.43 H new ATOM 0 HE ARG A 55 -12.773 -23.641 -24.993 1.00 24.21 H new ATOM 0 HH11 ARG A 55 -9.872 -21.945 -23.863 1.00 3.53 H new ATOM 0 HH12 ARG A 55 -8.849 -23.378 -24.011 1.00 3.53 H new ATOM 0 HH21 ARG A 55 -11.447 -25.458 -25.165 1.00 14.42 H new ATOM 0 HH22 ARG A 55 -9.735 -25.352 -24.743 1.00 14.42 H new ATOM 880 N GLY A 56 -17.645 -23.049 -22.336 1.00 50.45 N ATOM 881 CA GLY A 56 -18.345 -24.148 -21.703 1.00 33.52 C ATOM 882 C GLY A 56 -17.791 -24.474 -20.329 1.00 54.22 C ATOM 883 O GLY A 56 -18.126 -25.505 -19.742 1.00 73.03 O ATOM 0 H GLY A 56 -17.785 -22.137 -21.901 1.00 50.45 H new ATOM 0 HA2 GLY A 56 -19.402 -23.899 -21.615 1.00 33.52 H new ATOM 0 HA3 GLY A 56 -18.277 -25.032 -22.338 1.00 33.52 H new ATOM 887 N PHE A 57 -16.933 -23.599 -19.819 1.00 52.31 N ATOM 888 CA PHE A 57 -16.388 -23.755 -18.474 1.00 1.22 C ATOM 889 C PHE A 57 -15.806 -22.429 -17.985 1.00 14.15 C ATOM 890 O PHE A 57 -15.539 -21.534 -18.789 1.00 34.02 O ATOM 891 CB PHE A 57 -15.325 -24.864 -18.446 1.00 72.54 C ATOM 892 CG PHE A 57 -14.053 -24.519 -19.165 1.00 0.44 C ATOM 893 CD1 PHE A 57 -12.879 -24.354 -18.456 1.00 24.44 C ATOM 894 CD2 PHE A 57 -14.035 -24.344 -20.538 1.00 51.15 C ATOM 895 CE1 PHE A 57 -11.708 -24.020 -19.103 1.00 10.11 C ATOM 896 CE2 PHE A 57 -12.865 -24.014 -21.192 1.00 33.42 C ATOM 897 CZ PHE A 57 -11.699 -23.849 -20.474 1.00 74.21 C ATOM 0 H PHE A 57 -16.599 -22.773 -20.316 1.00 52.31 H new ATOM 0 HA PHE A 57 -17.195 -24.046 -17.801 1.00 1.22 H new ATOM 0 HB2 PHE A 57 -15.090 -25.099 -17.408 1.00 72.54 H new ATOM 0 HB3 PHE A 57 -15.746 -25.766 -18.890 1.00 72.54 H new ATOM 0 HD1 PHE A 57 -12.878 -24.488 -17.384 1.00 24.44 H new ATOM 0 HD2 PHE A 57 -14.947 -24.467 -21.104 1.00 51.15 H new ATOM 0 HE1 PHE A 57 -10.797 -23.892 -18.537 1.00 10.11 H new ATOM 0 HE2 PHE A 57 -12.863 -23.885 -22.264 1.00 33.42 H new ATOM 0 HZ PHE A 57 -10.782 -23.587 -20.982 1.00 74.21 H new ATOM 907 N GLY A 58 -15.625 -22.299 -16.674 1.00 51.41 N ATOM 908 CA GLY A 58 -15.114 -21.063 -16.110 1.00 21.34 C ATOM 909 C GLY A 58 -14.578 -21.238 -14.699 1.00 63.04 C ATOM 910 O GLY A 58 -14.396 -22.363 -14.234 1.00 64.55 O ATOM 0 H GLY A 58 -15.824 -23.030 -15.991 1.00 51.41 H new ATOM 0 HA2 GLY A 58 -14.320 -20.677 -16.750 1.00 21.34 H new ATOM 0 HA3 GLY A 58 -15.908 -20.317 -16.102 1.00 21.34 H new ATOM 914 N PHE A 59 -14.327 -20.125 -14.019 1.00 72.32 N ATOM 915 CA PHE A 59 -13.776 -20.146 -12.669 1.00 25.34 C ATOM 916 C PHE A 59 -14.513 -19.172 -11.755 1.00 24.04 C ATOM 917 O PHE A 59 -15.114 -18.200 -12.220 1.00 12.43 O ATOM 918 CB PHE A 59 -12.292 -19.780 -12.683 1.00 72.02 C ATOM 919 CG PHE A 59 -11.397 -20.824 -13.286 1.00 74.14 C ATOM 920 CD1 PHE A 59 -10.888 -21.846 -12.505 1.00 32.12 C ATOM 921 CD2 PHE A 59 -11.048 -20.770 -14.623 1.00 3.34 C ATOM 922 CE1 PHE A 59 -10.045 -22.794 -13.046 1.00 44.22 C ATOM 923 CE2 PHE A 59 -10.210 -21.720 -15.173 1.00 41.20 C ATOM 924 CZ PHE A 59 -9.706 -22.731 -14.383 1.00 34.21 C ATOM 0 H PHE A 59 -14.498 -19.188 -14.385 1.00 72.32 H new ATOM 0 HA PHE A 59 -13.901 -21.159 -12.288 1.00 25.34 H new ATOM 0 HB2 PHE A 59 -12.166 -18.849 -13.236 1.00 72.02 H new ATOM 0 HB3 PHE A 59 -11.968 -19.590 -11.660 1.00 72.02 H new ATOM 0 HD1 PHE A 59 -11.154 -21.902 -11.460 1.00 32.12 H new ATOM 0 HD2 PHE A 59 -11.435 -19.976 -15.244 1.00 3.34 H new ATOM 0 HE1 PHE A 59 -9.651 -23.585 -12.425 1.00 44.22 H new ATOM 0 HE2 PHE A 59 -9.950 -21.671 -16.220 1.00 41.20 H new ATOM 0 HZ PHE A 59 -9.047 -23.473 -14.809 1.00 34.21 H new ATOM 934 N VAL A 60 -14.442 -19.435 -10.456 1.00 1.34 N ATOM 935 CA VAL A 60 -15.061 -18.581 -9.446 1.00 64.24 C ATOM 936 C VAL A 60 -14.262 -18.589 -8.160 1.00 1.13 C ATOM 937 O VAL A 60 -14.212 -19.588 -7.450 1.00 21.14 O ATOM 938 CB VAL A 60 -16.518 -18.967 -9.145 1.00 53.22 C ATOM 939 CG1 VAL A 60 -17.448 -18.160 -10.017 1.00 73.31 C ATOM 940 CG2 VAL A 60 -16.752 -20.450 -9.338 1.00 52.14 C ATOM 0 H VAL A 60 -13.955 -20.245 -10.072 1.00 1.34 H new ATOM 0 HA VAL A 60 -15.065 -17.576 -9.868 1.00 64.24 H new ATOM 0 HB VAL A 60 -16.723 -18.742 -8.098 1.00 53.22 H new ATOM 0 HG11 VAL A 60 -18.480 -18.436 -9.801 1.00 73.31 H new ATOM 0 HG12 VAL A 60 -17.306 -17.098 -9.815 1.00 73.31 H new ATOM 0 HG13 VAL A 60 -17.230 -18.362 -11.066 1.00 73.31 H new ATOM 0 HG21 VAL A 60 -17.793 -20.686 -9.116 1.00 52.14 H new ATOM 0 HG22 VAL A 60 -16.530 -20.722 -10.370 1.00 52.14 H new ATOM 0 HG23 VAL A 60 -16.102 -21.011 -8.667 1.00 52.14 H new ATOM 950 N THR A 61 -13.629 -17.472 -7.873 1.00 74.13 N ATOM 951 CA THR A 61 -12.823 -17.344 -6.681 1.00 2.25 C ATOM 952 C THR A 61 -13.661 -16.747 -5.571 1.00 1.32 C ATOM 953 O THR A 61 -14.125 -15.616 -5.680 1.00 13.42 O ATOM 954 CB THR A 61 -11.597 -16.451 -6.931 1.00 3.32 C ATOM 955 OG1 THR A 61 -10.996 -16.799 -8.187 1.00 53.43 O ATOM 956 CG2 THR A 61 -10.573 -16.602 -5.814 1.00 40.14 C ATOM 0 H THR A 61 -13.658 -16.634 -8.454 1.00 74.13 H new ATOM 0 HA THR A 61 -12.472 -18.336 -6.396 1.00 2.25 H new ATOM 0 HB THR A 61 -11.928 -15.413 -6.955 1.00 3.32 H new ATOM 0 HG1 THR A 61 -11.611 -16.575 -8.917 1.00 53.43 H new ATOM 0 HG21 THR A 61 -9.716 -15.959 -6.016 1.00 40.14 H new ATOM 0 HG22 THR A 61 -11.025 -16.315 -4.865 1.00 40.14 H new ATOM 0 HG23 THR A 61 -10.243 -17.640 -5.760 1.00 40.14 H new ATOM 964 N TYR A 62 -13.881 -17.518 -4.529 1.00 41.11 N ATOM 965 CA TYR A 62 -14.660 -17.054 -3.402 1.00 43.21 C ATOM 966 C TYR A 62 -13.794 -16.234 -2.464 1.00 65.32 C ATOM 967 O TYR A 62 -12.571 -16.181 -2.615 1.00 61.23 O ATOM 968 CB TYR A 62 -15.283 -18.235 -2.660 1.00 74.22 C ATOM 969 CG TYR A 62 -16.493 -18.811 -3.358 1.00 52.12 C ATOM 970 CD1 TYR A 62 -17.772 -18.486 -2.933 1.00 42.14 C ATOM 971 CD2 TYR A 62 -16.361 -19.676 -4.435 1.00 60.32 C ATOM 972 CE1 TYR A 62 -18.887 -19.005 -3.557 1.00 1.10 C ATOM 973 CE2 TYR A 62 -17.473 -20.198 -5.067 1.00 73.51 C ATOM 974 CZ TYR A 62 -18.733 -19.861 -4.622 1.00 73.31 C ATOM 975 OH TYR A 62 -19.844 -20.376 -5.245 1.00 25.01 O ATOM 0 H TYR A 62 -13.530 -18.472 -4.439 1.00 41.11 H new ATOM 0 HA TYR A 62 -15.464 -16.419 -3.774 1.00 43.21 H new ATOM 0 HB2 TYR A 62 -14.533 -19.018 -2.543 1.00 74.22 H new ATOM 0 HB3 TYR A 62 -15.569 -17.915 -1.658 1.00 74.22 H new ATOM 0 HD1 TYR A 62 -17.898 -17.814 -2.097 1.00 42.14 H new ATOM 0 HD2 TYR A 62 -15.375 -19.945 -4.784 1.00 60.32 H new ATOM 0 HE1 TYR A 62 -19.875 -18.741 -3.211 1.00 1.10 H new ATOM 0 HE2 TYR A 62 -17.355 -20.867 -5.906 1.00 73.51 H new ATOM 0 HH TYR A 62 -20.501 -19.662 -5.385 1.00 25.01 H new ATOM 985 N ALA A 63 -14.428 -15.609 -1.486 1.00 10.12 N ATOM 986 CA ALA A 63 -13.726 -14.748 -0.558 1.00 44.33 C ATOM 987 C ALA A 63 -12.845 -15.583 0.351 1.00 54.03 C ATOM 988 O ALA A 63 -11.818 -15.118 0.849 1.00 40.50 O ATOM 989 CB ALA A 63 -14.716 -13.922 0.248 1.00 41.50 C ATOM 0 H ALA A 63 -15.431 -15.684 -1.317 1.00 10.12 H new ATOM 0 HA ALA A 63 -13.091 -14.060 -1.116 1.00 44.33 H new ATOM 0 HB1 ALA A 63 -14.174 -13.279 0.942 1.00 41.50 H new ATOM 0 HB2 ALA A 63 -15.311 -13.307 -0.427 1.00 41.50 H new ATOM 0 HB3 ALA A 63 -15.374 -14.587 0.808 1.00 41.50 H new ATOM 995 N THR A 64 -13.246 -16.831 0.541 1.00 1.33 N ATOM 996 CA THR A 64 -12.496 -17.756 1.360 1.00 61.21 C ATOM 997 C THR A 64 -12.912 -19.200 1.053 1.00 4.33 C ATOM 998 O THR A 64 -13.847 -19.438 0.285 1.00 71.13 O ATOM 999 CB THR A 64 -12.681 -17.432 2.858 1.00 31.24 C ATOM 1000 OG1 THR A 64 -11.931 -18.348 3.668 1.00 0.53 O ATOM 1001 CG2 THR A 64 -14.153 -17.461 3.238 1.00 70.44 C ATOM 0 H THR A 64 -14.094 -17.224 0.133 1.00 1.33 H new ATOM 0 HA THR A 64 -11.437 -17.649 1.123 1.00 61.21 H new ATOM 0 HB THR A 64 -12.303 -16.426 3.039 1.00 31.24 H new ATOM 0 HG1 THR A 64 -12.518 -19.072 3.972 1.00 0.53 H new ATOM 0 HG21 THR A 64 -14.260 -17.230 4.298 1.00 70.44 H new ATOM 0 HG22 THR A 64 -14.695 -16.722 2.649 1.00 70.44 H new ATOM 0 HG23 THR A 64 -14.560 -18.452 3.040 1.00 70.44 H new ATOM 1009 N VAL A 65 -12.217 -20.150 1.661 1.00 74.31 N ATOM 1010 CA VAL A 65 -12.378 -21.565 1.348 1.00 72.11 C ATOM 1011 C VAL A 65 -13.726 -22.130 1.822 1.00 44.42 C ATOM 1012 O VAL A 65 -14.327 -22.960 1.139 1.00 2.42 O ATOM 1013 CB VAL A 65 -11.208 -22.386 1.942 1.00 44.44 C ATOM 1014 CG1 VAL A 65 -11.034 -22.092 3.422 1.00 74.43 C ATOM 1015 CG2 VAL A 65 -11.404 -23.874 1.705 1.00 72.51 C ATOM 0 H VAL A 65 -11.525 -19.963 2.386 1.00 74.31 H new ATOM 0 HA VAL A 65 -12.365 -21.652 0.262 1.00 72.11 H new ATOM 0 HB VAL A 65 -10.296 -22.084 1.427 1.00 44.44 H new ATOM 0 HG11 VAL A 65 -10.206 -22.681 3.815 1.00 74.43 H new ATOM 0 HG12 VAL A 65 -10.822 -21.032 3.560 1.00 74.43 H new ATOM 0 HG13 VAL A 65 -11.949 -22.352 3.955 1.00 74.43 H new ATOM 0 HG21 VAL A 65 -10.566 -24.424 2.133 1.00 72.51 H new ATOM 0 HG22 VAL A 65 -12.331 -24.199 2.178 1.00 72.51 H new ATOM 0 HG23 VAL A 65 -11.456 -24.068 0.634 1.00 72.51 H new ATOM 1025 N GLU A 66 -14.214 -21.669 2.974 1.00 15.12 N ATOM 1026 CA GLU A 66 -15.486 -22.157 3.513 1.00 11.24 C ATOM 1027 C GLU A 66 -16.658 -21.833 2.589 1.00 25.22 C ATOM 1028 O GLU A 66 -17.719 -22.456 2.677 1.00 42.31 O ATOM 1029 CB GLU A 66 -15.753 -21.605 4.911 1.00 54.04 C ATOM 1030 CG GLU A 66 -15.438 -20.136 5.061 1.00 64.23 C ATOM 1031 CD GLU A 66 -14.064 -19.899 5.647 1.00 74.13 C ATOM 1032 OE1 GLU A 66 -13.975 -19.419 6.792 1.00 1.41 O ATOM 1033 OE2 GLU A 66 -13.068 -20.207 4.967 1.00 50.11 O ATOM 0 H GLU A 66 -13.753 -20.964 3.549 1.00 15.12 H new ATOM 0 HA GLU A 66 -15.397 -23.241 3.581 1.00 11.24 H new ATOM 0 HB2 GLU A 66 -16.801 -21.769 5.161 1.00 54.04 H new ATOM 0 HB3 GLU A 66 -15.161 -22.169 5.632 1.00 54.04 H new ATOM 0 HG2 GLU A 66 -15.503 -19.652 4.087 1.00 64.23 H new ATOM 0 HG3 GLU A 66 -16.188 -19.669 5.700 1.00 64.23 H new ATOM 1040 N GLU A 67 -16.469 -20.865 1.703 1.00 30.14 N ATOM 1041 CA GLU A 67 -17.495 -20.525 0.733 1.00 13.04 C ATOM 1042 C GLU A 67 -17.459 -21.517 -0.425 1.00 74.44 C ATOM 1043 O GLU A 67 -18.499 -21.988 -0.887 1.00 55.23 O ATOM 1044 CB GLU A 67 -17.301 -19.105 0.218 1.00 12.44 C ATOM 1045 CG GLU A 67 -17.144 -18.072 1.317 1.00 1.35 C ATOM 1046 CD GLU A 67 -17.349 -16.663 0.807 1.00 22.24 C ATOM 1047 OE1 GLU A 67 -16.782 -16.321 -0.249 1.00 1.13 O ATOM 1048 OE2 GLU A 67 -18.087 -15.894 1.457 1.00 2.11 O ATOM 0 H GLU A 67 -15.619 -20.305 1.637 1.00 30.14 H new ATOM 0 HA GLU A 67 -18.468 -20.579 1.221 1.00 13.04 H new ATOM 0 HB2 GLU A 67 -16.419 -19.078 -0.422 1.00 12.44 H new ATOM 0 HB3 GLU A 67 -18.154 -18.834 -0.403 1.00 12.44 H new ATOM 0 HG2 GLU A 67 -17.861 -18.277 2.112 1.00 1.35 H new ATOM 0 HG3 GLU A 67 -16.149 -18.157 1.755 1.00 1.35 H new ATOM 1055 N VAL A 68 -16.248 -21.839 -0.873 1.00 72.24 N ATOM 1056 CA VAL A 68 -16.040 -22.867 -1.891 1.00 42.33 C ATOM 1057 C VAL A 68 -16.646 -24.185 -1.435 1.00 34.24 C ATOM 1058 O VAL A 68 -17.343 -24.863 -2.193 1.00 32.25 O ATOM 1059 CB VAL A 68 -14.536 -23.070 -2.186 1.00 64.04 C ATOM 1060 CG1 VAL A 68 -14.287 -24.367 -2.942 1.00 34.31 C ATOM 1061 CG2 VAL A 68 -13.993 -21.898 -2.977 1.00 71.13 C ATOM 0 H VAL A 68 -15.389 -21.399 -0.544 1.00 72.24 H new ATOM 0 HA VAL A 68 -16.530 -22.533 -2.805 1.00 42.33 H new ATOM 0 HB VAL A 68 -14.016 -23.131 -1.230 1.00 64.04 H new ATOM 0 HG11 VAL A 68 -13.220 -24.478 -3.133 1.00 34.31 H new ATOM 0 HG12 VAL A 68 -14.638 -25.209 -2.346 1.00 34.31 H new ATOM 0 HG13 VAL A 68 -14.825 -24.345 -3.890 1.00 34.31 H new ATOM 0 HG21 VAL A 68 -12.933 -22.054 -3.178 1.00 71.13 H new ATOM 0 HG22 VAL A 68 -14.532 -21.815 -3.920 1.00 71.13 H new ATOM 0 HG23 VAL A 68 -14.122 -20.980 -2.403 1.00 71.13 H new ATOM 1071 N ASP A 69 -16.383 -24.526 -0.182 1.00 33.30 N ATOM 1072 CA ASP A 69 -16.925 -25.731 0.424 1.00 61.14 C ATOM 1073 C ASP A 69 -18.445 -25.766 0.302 1.00 23.25 C ATOM 1074 O ASP A 69 -19.023 -26.779 -0.083 1.00 10.44 O ATOM 1075 CB ASP A 69 -16.523 -25.802 1.896 1.00 12.54 C ATOM 1076 CG ASP A 69 -17.108 -27.005 2.599 1.00 54.13 C ATOM 1077 OD1 ASP A 69 -16.532 -28.106 2.483 1.00 43.53 O ATOM 1078 OD2 ASP A 69 -18.139 -26.851 3.287 1.00 42.34 O ATOM 0 H ASP A 69 -15.790 -23.977 0.440 1.00 33.30 H new ATOM 0 HA ASP A 69 -16.516 -26.592 -0.105 1.00 61.14 H new ATOM 0 HB2 ASP A 69 -15.436 -25.834 1.971 1.00 12.54 H new ATOM 0 HB3 ASP A 69 -16.851 -24.894 2.403 1.00 12.54 H new ATOM 1083 N ALA A 70 -19.084 -24.640 0.594 1.00 51.52 N ATOM 1084 CA ALA A 70 -20.536 -24.558 0.560 1.00 14.33 C ATOM 1085 C ALA A 70 -21.059 -24.751 -0.857 1.00 31.03 C ATOM 1086 O ALA A 70 -22.093 -25.386 -1.065 1.00 23.42 O ATOM 1087 CB ALA A 70 -21.006 -23.226 1.119 1.00 4.42 C ATOM 0 H ALA A 70 -18.618 -23.772 0.857 1.00 51.52 H new ATOM 0 HA ALA A 70 -20.935 -25.359 1.183 1.00 14.33 H new ATOM 0 HB1 ALA A 70 -22.095 -23.181 1.086 1.00 4.42 H new ATOM 0 HB2 ALA A 70 -20.670 -23.125 2.151 1.00 4.42 H new ATOM 0 HB3 ALA A 70 -20.591 -22.414 0.522 1.00 4.42 H new ATOM 1093 N ALA A 71 -20.333 -24.216 -1.829 1.00 62.45 N ATOM 1094 CA ALA A 71 -20.704 -24.366 -3.229 1.00 70.31 C ATOM 1095 C ALA A 71 -20.546 -25.814 -3.673 1.00 73.13 C ATOM 1096 O ALA A 71 -21.269 -26.290 -4.547 1.00 2.05 O ATOM 1097 CB ALA A 71 -19.866 -23.450 -4.099 1.00 33.14 C ATOM 0 H ALA A 71 -19.483 -23.674 -1.673 1.00 62.45 H new ATOM 0 HA ALA A 71 -21.752 -24.086 -3.339 1.00 70.31 H new ATOM 0 HB1 ALA A 71 -20.155 -23.574 -5.143 1.00 33.14 H new ATOM 0 HB2 ALA A 71 -20.027 -22.415 -3.798 1.00 33.14 H new ATOM 0 HB3 ALA A 71 -18.812 -23.702 -3.983 1.00 33.14 H new ATOM 1103 N MET A 72 -19.602 -26.516 -3.062 1.00 63.02 N ATOM 1104 CA MET A 72 -19.412 -27.930 -3.345 1.00 62.20 C ATOM 1105 C MET A 72 -20.551 -28.742 -2.738 1.00 43.24 C ATOM 1106 O MET A 72 -21.018 -29.713 -3.327 1.00 50.51 O ATOM 1107 CB MET A 72 -18.071 -28.430 -2.803 1.00 63.51 C ATOM 1108 CG MET A 72 -16.858 -27.761 -3.425 1.00 2.30 C ATOM 1109 SD MET A 72 -15.326 -28.632 -3.040 1.00 54.23 S ATOM 1110 CE MET A 72 -14.200 -27.825 -4.168 1.00 70.42 C ATOM 0 H MET A 72 -18.959 -26.131 -2.370 1.00 63.02 H new ATOM 0 HA MET A 72 -19.410 -28.059 -4.427 1.00 62.20 H new ATOM 0 HB2 MET A 72 -18.046 -28.271 -1.725 1.00 63.51 H new ATOM 0 HB3 MET A 72 -18.003 -29.505 -2.969 1.00 63.51 H new ATOM 0 HG2 MET A 72 -16.986 -27.715 -4.507 1.00 2.30 H new ATOM 0 HG3 MET A 72 -16.789 -26.733 -3.068 1.00 2.30 H new ATOM 0 HE1 MET A 72 -13.341 -28.471 -4.349 1.00 70.42 H new ATOM 0 HE2 MET A 72 -14.710 -27.627 -5.111 1.00 70.42 H new ATOM 0 HE3 MET A 72 -13.862 -26.884 -3.734 1.00 70.42 H new ATOM 1120 N ASN A 73 -21.010 -28.318 -1.563 1.00 14.02 N ATOM 1121 CA ASN A 73 -22.158 -28.949 -0.912 1.00 1.31 C ATOM 1122 C ASN A 73 -23.446 -28.608 -1.652 1.00 72.51 C ATOM 1123 O ASN A 73 -24.507 -29.161 -1.369 1.00 2.31 O ATOM 1124 CB ASN A 73 -22.283 -28.507 0.551 1.00 11.24 C ATOM 1125 CG ASN A 73 -21.254 -29.144 1.465 1.00 22.02 C ATOM 1126 OD1 ASN A 73 -21.463 -30.241 1.983 1.00 54.43 O ATOM 1127 ND2 ASN A 73 -20.149 -28.454 1.691 1.00 53.14 N ATOM 0 H ASN A 73 -20.606 -27.540 -1.041 1.00 14.02 H new ATOM 0 HA ASN A 73 -21.996 -30.027 -0.939 1.00 1.31 H new ATOM 0 HB2 ASN A 73 -22.183 -27.423 0.605 1.00 11.24 H new ATOM 0 HB3 ASN A 73 -23.281 -28.754 0.913 1.00 11.24 H new ATOM 0 HD21 ASN A 73 -19.433 -28.828 2.314 1.00 53.14 H new ATOM 0 HD22 ASN A 73 -20.013 -27.548 1.243 1.00 53.14 H new ATOM 1134 N ALA A 74 -23.343 -27.684 -2.594 1.00 70.21 N ATOM 1135 CA ALA A 74 -24.480 -27.285 -3.403 1.00 33.43 C ATOM 1136 C ALA A 74 -24.564 -28.135 -4.668 1.00 43.35 C ATOM 1137 O ALA A 74 -25.475 -27.972 -5.480 1.00 71.24 O ATOM 1138 CB ALA A 74 -24.376 -25.808 -3.746 1.00 24.45 C ATOM 0 H ALA A 74 -22.476 -27.194 -2.817 1.00 70.21 H new ATOM 0 HA ALA A 74 -25.395 -27.446 -2.832 1.00 33.43 H new ATOM 0 HB1 ALA A 74 -25.232 -25.514 -4.353 1.00 24.45 H new ATOM 0 HB2 ALA A 74 -24.364 -25.221 -2.828 1.00 24.45 H new ATOM 0 HB3 ALA A 74 -23.457 -25.628 -4.303 1.00 24.45 H new ATOM 1144 N ARG A 75 -23.605 -29.042 -4.825 1.00 54.31 N ATOM 1145 CA ARG A 75 -23.589 -29.967 -5.948 1.00 72.33 C ATOM 1146 C ARG A 75 -24.655 -31.048 -5.754 1.00 62.21 C ATOM 1147 O ARG A 75 -24.847 -31.540 -4.641 1.00 22.32 O ATOM 1148 CB ARG A 75 -22.193 -30.586 -6.090 1.00 5.51 C ATOM 1149 CG ARG A 75 -22.098 -31.704 -7.118 1.00 43.44 C ATOM 1150 CD ARG A 75 -20.665 -32.184 -7.279 1.00 63.04 C ATOM 1151 NE ARG A 75 -20.044 -32.485 -5.989 1.00 54.35 N ATOM 1152 CZ ARG A 75 -18.729 -32.496 -5.781 1.00 42.44 C ATOM 1153 NH1 ARG A 75 -17.894 -32.311 -6.798 1.00 11.44 N ATOM 1154 NH2 ARG A 75 -18.250 -32.705 -4.562 1.00 15.42 N ATOM 0 H ARG A 75 -22.822 -29.155 -4.181 1.00 54.31 H new ATOM 0 HA ARG A 75 -23.820 -29.427 -6.866 1.00 72.33 H new ATOM 0 HB2 ARG A 75 -21.487 -29.801 -6.360 1.00 5.51 H new ATOM 0 HB3 ARG A 75 -21.882 -30.974 -5.120 1.00 5.51 H new ATOM 0 HG2 ARG A 75 -22.731 -32.537 -6.812 1.00 43.44 H new ATOM 0 HG3 ARG A 75 -22.476 -31.352 -8.078 1.00 43.44 H new ATOM 0 HD2 ARG A 75 -20.649 -33.075 -7.907 1.00 63.04 H new ATOM 0 HD3 ARG A 75 -20.082 -31.421 -7.794 1.00 63.04 H new ATOM 0 HE ARG A 75 -20.655 -32.699 -5.201 1.00 54.35 H new ATOM 0 HH11 ARG A 75 -18.261 -32.161 -7.738 1.00 11.44 H new ATOM 0 HH12 ARG A 75 -16.887 -32.319 -6.639 1.00 11.44 H new ATOM 0 HH21 ARG A 75 -18.889 -32.858 -3.782 1.00 15.42 H new ATOM 0 HH22 ARG A 75 -17.242 -32.713 -4.404 1.00 15.42 H new ATOM 1168 N PRO A 76 -25.363 -31.439 -6.828 1.00 63.21 N ATOM 1169 CA PRO A 76 -25.125 -30.929 -8.185 1.00 52.34 C ATOM 1170 C PRO A 76 -25.505 -29.462 -8.342 1.00 45.33 C ATOM 1171 O PRO A 76 -26.640 -29.065 -8.072 1.00 13.05 O ATOM 1172 CB PRO A 76 -26.018 -31.809 -9.060 1.00 13.14 C ATOM 1173 CG PRO A 76 -27.100 -32.272 -8.150 1.00 33.44 C ATOM 1174 CD PRO A 76 -26.465 -32.416 -6.796 1.00 62.42 C ATOM 0 HA PRO A 76 -24.068 -30.972 -8.449 1.00 52.34 H new ATOM 0 HB2 PRO A 76 -26.422 -31.249 -9.903 1.00 13.14 H new ATOM 0 HB3 PRO A 76 -25.462 -32.650 -9.474 1.00 13.14 H new ATOM 0 HG2 PRO A 76 -27.921 -31.555 -8.122 1.00 33.44 H new ATOM 0 HG3 PRO A 76 -27.517 -33.220 -8.489 1.00 33.44 H new ATOM 0 HD2 PRO A 76 -27.172 -32.198 -5.996 1.00 62.42 H new ATOM 0 HD3 PRO A 76 -26.099 -33.429 -6.630 1.00 62.42 H new ATOM 1182 N HIS A 77 -24.543 -28.663 -8.778 1.00 54.01 N ATOM 1183 CA HIS A 77 -24.753 -27.236 -8.928 1.00 75.31 C ATOM 1184 C HIS A 77 -25.593 -26.967 -10.172 1.00 71.22 C ATOM 1185 O HIS A 77 -25.696 -27.819 -11.059 1.00 41.44 O ATOM 1186 CB HIS A 77 -23.407 -26.514 -9.023 1.00 74.12 C ATOM 1187 CG HIS A 77 -23.450 -25.096 -8.548 1.00 74.51 C ATOM 1188 ND1 HIS A 77 -24.079 -24.114 -9.273 1.00 31.43 N ATOM 1189 CD2 HIS A 77 -22.936 -24.553 -7.419 1.00 53.22 C ATOM 1190 CE1 HIS A 77 -23.938 -23.003 -8.578 1.00 44.44 C ATOM 1191 NE2 HIS A 77 -23.250 -23.218 -7.445 1.00 73.21 N ATOM 0 H HIS A 77 -23.609 -28.982 -9.034 1.00 54.01 H new ATOM 0 HA HIS A 77 -25.286 -26.858 -8.056 1.00 75.31 H new ATOM 0 HB2 HIS A 77 -22.669 -27.062 -8.437 1.00 74.12 H new ATOM 0 HB3 HIS A 77 -23.068 -26.531 -10.059 1.00 74.12 H new ATOM 0 HD2 HIS A 77 -22.385 -25.071 -6.648 1.00 53.22 H new ATOM 0 HE1 HIS A 77 -24.326 -22.042 -8.881 1.00 44.44 H new ATOM 0 HE2 HIS A 77 -23.008 -22.522 -6.739 1.00 73.21 H new ATOM 1199 N LYS A 78 -26.186 -25.789 -10.237 1.00 31.24 N ATOM 1200 CA LYS A 78 -27.072 -25.436 -11.328 1.00 72.53 C ATOM 1201 C LYS A 78 -26.899 -23.967 -11.686 1.00 25.42 C ATOM 1202 O LYS A 78 -27.236 -23.082 -10.896 1.00 5.31 O ATOM 1203 CB LYS A 78 -28.529 -25.724 -10.944 1.00 2.43 C ATOM 1204 CG LYS A 78 -29.541 -25.346 -12.017 1.00 42.22 C ATOM 1205 CD LYS A 78 -29.352 -26.153 -13.291 1.00 22.52 C ATOM 1206 CE LYS A 78 -29.692 -27.620 -13.086 1.00 31.20 C ATOM 1207 NZ LYS A 78 -31.117 -27.815 -12.712 1.00 21.14 N ATOM 0 H LYS A 78 -26.067 -25.055 -9.539 1.00 31.24 H new ATOM 0 HA LYS A 78 -26.817 -26.041 -12.198 1.00 72.53 H new ATOM 0 HB2 LYS A 78 -28.632 -26.786 -10.721 1.00 2.43 H new ATOM 0 HB3 LYS A 78 -28.766 -25.182 -10.029 1.00 2.43 H new ATOM 0 HG2 LYS A 78 -30.550 -25.503 -11.635 1.00 42.22 H new ATOM 0 HG3 LYS A 78 -29.448 -24.284 -12.244 1.00 42.22 H new ATOM 0 HD2 LYS A 78 -29.982 -25.741 -14.079 1.00 22.52 H new ATOM 0 HD3 LYS A 78 -28.319 -26.063 -13.628 1.00 22.52 H new ATOM 0 HE2 LYS A 78 -29.479 -28.173 -14.001 1.00 31.20 H new ATOM 0 HE3 LYS A 78 -29.053 -28.035 -12.307 1.00 31.20 H new ATOM 0 HZ1 LYS A 78 -31.382 -28.810 -12.861 1.00 21.14 H new ATOM 0 HZ2 LYS A 78 -31.250 -27.567 -11.711 1.00 21.14 H new ATOM 0 HZ3 LYS A 78 -31.718 -27.205 -13.302 1.00 21.14 H new ATOM 1221 N VAL A 79 -26.355 -23.718 -12.865 1.00 2.22 N ATOM 1222 CA VAL A 79 -26.162 -22.362 -13.351 1.00 24.23 C ATOM 1223 C VAL A 79 -26.559 -22.264 -14.820 1.00 51.31 C ATOM 1224 O VAL A 79 -26.146 -23.087 -15.638 1.00 20.33 O ATOM 1225 CB VAL A 79 -24.702 -21.881 -13.146 1.00 61.21 C ATOM 1226 CG1 VAL A 79 -23.712 -22.963 -13.535 1.00 34.14 C ATOM 1227 CG2 VAL A 79 -24.427 -20.601 -13.928 1.00 24.12 C ATOM 0 H VAL A 79 -26.037 -24.443 -13.508 1.00 2.22 H new ATOM 0 HA VAL A 79 -26.807 -21.705 -12.767 1.00 24.23 H new ATOM 0 HB VAL A 79 -24.574 -21.665 -12.085 1.00 61.21 H new ATOM 0 HG11 VAL A 79 -22.696 -22.599 -13.381 1.00 34.14 H new ATOM 0 HG12 VAL A 79 -23.878 -23.847 -12.919 1.00 34.14 H new ATOM 0 HG13 VAL A 79 -23.850 -23.222 -14.585 1.00 34.14 H new ATOM 0 HG21 VAL A 79 -23.396 -20.289 -13.764 1.00 24.12 H new ATOM 0 HG22 VAL A 79 -24.587 -20.783 -14.991 1.00 24.12 H new ATOM 0 HG23 VAL A 79 -25.102 -19.815 -13.589 1.00 24.12 H new ATOM 1237 N ASP A 80 -27.404 -21.278 -15.123 1.00 4.20 N ATOM 1238 CA ASP A 80 -27.897 -21.031 -16.484 1.00 14.24 C ATOM 1239 C ASP A 80 -28.739 -22.212 -16.978 1.00 24.25 C ATOM 1240 O ASP A 80 -28.971 -22.377 -18.174 1.00 25.43 O ATOM 1241 CB ASP A 80 -26.732 -20.760 -17.451 1.00 11.14 C ATOM 1242 CG ASP A 80 -27.177 -20.063 -18.721 1.00 15.33 C ATOM 1243 OD1 ASP A 80 -27.318 -20.739 -19.761 1.00 14.13 O ATOM 1244 OD2 ASP A 80 -27.389 -18.832 -18.682 1.00 60.53 O ATOM 0 H ASP A 80 -27.769 -20.624 -14.431 1.00 4.20 H new ATOM 0 HA ASP A 80 -28.529 -20.144 -16.456 1.00 14.24 H new ATOM 0 HB2 ASP A 80 -25.983 -20.148 -16.949 1.00 11.14 H new ATOM 0 HB3 ASP A 80 -26.252 -21.704 -17.709 1.00 11.14 H new ATOM 1249 N GLY A 81 -29.223 -23.018 -16.041 1.00 51.40 N ATOM 1250 CA GLY A 81 -29.995 -24.193 -16.397 1.00 14.33 C ATOM 1251 C GLY A 81 -29.112 -25.370 -16.756 1.00 1.55 C ATOM 1252 O GLY A 81 -29.569 -26.349 -17.347 1.00 62.40 O ATOM 0 H GLY A 81 -29.094 -22.878 -15.039 1.00 51.40 H new ATOM 0 HA2 GLY A 81 -30.642 -24.467 -15.564 1.00 14.33 H new ATOM 0 HA3 GLY A 81 -30.644 -23.957 -17.240 1.00 14.33 H new ATOM 1256 N ARG A 82 -27.842 -25.274 -16.396 1.00 62.35 N ATOM 1257 CA ARG A 82 -26.877 -26.323 -16.678 1.00 42.55 C ATOM 1258 C ARG A 82 -26.280 -26.864 -15.380 1.00 71.02 C ATOM 1259 O ARG A 82 -25.896 -26.096 -14.497 1.00 23.41 O ATOM 1260 CB ARG A 82 -25.772 -25.770 -17.586 1.00 44.22 C ATOM 1261 CG ARG A 82 -24.594 -26.709 -17.792 1.00 73.33 C ATOM 1262 CD ARG A 82 -24.986 -27.977 -18.531 1.00 45.02 C ATOM 1263 NE ARG A 82 -23.842 -28.871 -18.705 1.00 32.11 N ATOM 1264 CZ ARG A 82 -23.807 -29.893 -19.562 1.00 31.12 C ATOM 1265 NH1 ARG A 82 -24.845 -30.148 -20.348 1.00 43.30 N ATOM 1266 NH2 ARG A 82 -22.727 -30.660 -19.645 1.00 25.24 N ATOM 0 H ARG A 82 -27.453 -24.471 -15.902 1.00 62.35 H new ATOM 0 HA ARG A 82 -27.381 -27.144 -17.187 1.00 42.55 H new ATOM 0 HB2 ARG A 82 -26.204 -25.531 -18.558 1.00 44.22 H new ATOM 0 HB3 ARG A 82 -25.405 -24.835 -17.162 1.00 44.22 H new ATOM 0 HG2 ARG A 82 -23.814 -26.192 -18.352 1.00 73.33 H new ATOM 0 HG3 ARG A 82 -24.170 -26.973 -16.823 1.00 73.33 H new ATOM 0 HD2 ARG A 82 -25.772 -28.493 -17.979 1.00 45.02 H new ATOM 0 HD3 ARG A 82 -25.399 -27.718 -19.506 1.00 45.02 H new ATOM 0 HE ARG A 82 -23.015 -28.702 -18.133 1.00 32.11 H new ATOM 0 HH11 ARG A 82 -25.678 -29.561 -20.300 1.00 43.30 H new ATOM 0 HH12 ARG A 82 -24.810 -30.931 -21.001 1.00 43.30 H new ATOM 0 HH21 ARG A 82 -21.919 -30.469 -19.052 1.00 25.24 H new ATOM 0 HH22 ARG A 82 -22.705 -31.440 -20.302 1.00 25.24 H new ATOM 1280 N VAL A 83 -26.234 -28.186 -15.263 1.00 61.31 N ATOM 1281 CA VAL A 83 -25.596 -28.834 -14.125 1.00 34.12 C ATOM 1282 C VAL A 83 -24.080 -28.798 -14.291 1.00 21.22 C ATOM 1283 O VAL A 83 -23.545 -29.286 -15.288 1.00 1.05 O ATOM 1284 CB VAL A 83 -26.057 -30.302 -13.970 1.00 4.51 C ATOM 1285 CG1 VAL A 83 -25.408 -30.950 -12.755 1.00 64.01 C ATOM 1286 CG2 VAL A 83 -27.573 -30.383 -13.873 1.00 14.45 C ATOM 0 H VAL A 83 -26.633 -28.831 -15.945 1.00 61.31 H new ATOM 0 HA VAL A 83 -25.889 -28.288 -13.228 1.00 34.12 H new ATOM 0 HB VAL A 83 -25.740 -30.850 -14.857 1.00 4.51 H new ATOM 0 HG11 VAL A 83 -25.748 -31.982 -12.668 1.00 64.01 H new ATOM 0 HG12 VAL A 83 -24.324 -30.934 -12.869 1.00 64.01 H new ATOM 0 HG13 VAL A 83 -25.686 -30.399 -11.857 1.00 64.01 H new ATOM 0 HG21 VAL A 83 -27.876 -31.425 -13.765 1.00 14.45 H new ATOM 0 HG22 VAL A 83 -27.913 -29.814 -13.008 1.00 14.45 H new ATOM 0 HG23 VAL A 83 -28.018 -29.968 -14.777 1.00 14.45 H new ATOM 1296 N VAL A 84 -23.391 -28.212 -13.325 1.00 21.52 N ATOM 1297 CA VAL A 84 -21.947 -28.060 -13.417 1.00 24.10 C ATOM 1298 C VAL A 84 -21.235 -28.757 -12.266 1.00 61.00 C ATOM 1299 O VAL A 84 -21.849 -29.103 -11.252 1.00 71.44 O ATOM 1300 CB VAL A 84 -21.530 -26.576 -13.444 1.00 62.14 C ATOM 1301 CG1 VAL A 84 -22.125 -25.879 -14.653 1.00 74.32 C ATOM 1302 CG2 VAL A 84 -21.944 -25.869 -12.162 1.00 34.54 C ATOM 0 H VAL A 84 -23.805 -27.835 -12.472 1.00 21.52 H new ATOM 0 HA VAL A 84 -21.649 -28.528 -14.355 1.00 24.10 H new ATOM 0 HB VAL A 84 -20.443 -26.531 -13.517 1.00 62.14 H new ATOM 0 HG11 VAL A 84 -21.820 -24.832 -14.656 1.00 74.32 H new ATOM 0 HG12 VAL A 84 -21.770 -26.363 -15.563 1.00 74.32 H new ATOM 0 HG13 VAL A 84 -23.212 -25.940 -14.610 1.00 74.32 H new ATOM 0 HG21 VAL A 84 -21.638 -24.824 -12.208 1.00 34.54 H new ATOM 0 HG22 VAL A 84 -23.027 -25.925 -12.049 1.00 34.54 H new ATOM 0 HG23 VAL A 84 -21.465 -26.351 -11.310 1.00 34.54 H new ATOM 1312 N GLU A 85 -19.937 -28.956 -12.436 1.00 40.12 N ATOM 1313 CA GLU A 85 -19.116 -29.592 -11.422 1.00 12.23 C ATOM 1314 C GLU A 85 -18.045 -28.622 -10.939 1.00 60.24 C ATOM 1315 O GLU A 85 -17.109 -28.305 -11.674 1.00 51.22 O ATOM 1316 CB GLU A 85 -18.473 -30.860 -11.984 1.00 24.33 C ATOM 1317 CG GLU A 85 -17.549 -31.566 -11.005 1.00 44.42 C ATOM 1318 CD GLU A 85 -16.924 -32.810 -11.599 1.00 1.34 C ATOM 1319 OE1 GLU A 85 -15.828 -32.710 -12.188 1.00 43.30 O ATOM 1320 OE2 GLU A 85 -17.532 -33.894 -11.486 1.00 45.51 O ATOM 0 H GLU A 85 -19.427 -28.682 -13.276 1.00 40.12 H new ATOM 0 HA GLU A 85 -19.746 -29.869 -10.576 1.00 12.23 H new ATOM 0 HB2 GLU A 85 -19.259 -31.550 -12.289 1.00 24.33 H new ATOM 0 HB3 GLU A 85 -17.909 -30.603 -12.881 1.00 24.33 H new ATOM 0 HG2 GLU A 85 -16.761 -30.880 -10.693 1.00 44.42 H new ATOM 0 HG3 GLU A 85 -18.110 -31.836 -10.110 1.00 44.42 H new ATOM 1327 N PRO A 86 -18.195 -28.111 -9.712 1.00 54.54 N ATOM 1328 CA PRO A 86 -17.244 -27.191 -9.112 1.00 51.12 C ATOM 1329 C PRO A 86 -16.164 -27.915 -8.309 1.00 34.01 C ATOM 1330 O PRO A 86 -16.455 -28.569 -7.305 1.00 3.10 O ATOM 1331 CB PRO A 86 -18.129 -26.336 -8.193 1.00 42.44 C ATOM 1332 CG PRO A 86 -19.443 -27.058 -8.068 1.00 4.34 C ATOM 1333 CD PRO A 86 -19.314 -28.364 -8.808 1.00 12.42 C ATOM 0 HA PRO A 86 -16.695 -26.615 -9.857 1.00 51.12 H new ATOM 0 HB2 PRO A 86 -17.663 -26.208 -7.216 1.00 42.44 H new ATOM 0 HB3 PRO A 86 -18.273 -25.340 -8.611 1.00 42.44 H new ATOM 0 HG2 PRO A 86 -19.686 -27.233 -7.020 1.00 4.34 H new ATOM 0 HG3 PRO A 86 -20.251 -26.458 -8.486 1.00 4.34 H new ATOM 0 HD2 PRO A 86 -19.109 -29.194 -8.132 1.00 12.42 H new ATOM 0 HD3 PRO A 86 -20.225 -28.613 -9.351 1.00 12.42 H new ATOM 1341 N LYS A 87 -14.919 -27.803 -8.755 1.00 13.34 N ATOM 1342 CA LYS A 87 -13.810 -28.464 -8.078 1.00 44.32 C ATOM 1343 C LYS A 87 -12.762 -27.445 -7.636 1.00 14.51 C ATOM 1344 O LYS A 87 -12.729 -26.325 -8.136 1.00 50.14 O ATOM 1345 CB LYS A 87 -13.172 -29.509 -8.999 1.00 31.03 C ATOM 1346 CG LYS A 87 -12.391 -28.919 -10.156 1.00 42.11 C ATOM 1347 CD LYS A 87 -11.768 -30.002 -11.018 1.00 0.30 C ATOM 1348 CE LYS A 87 -12.820 -30.811 -11.754 1.00 53.14 C ATOM 1349 NZ LYS A 87 -12.208 -31.874 -12.589 1.00 13.00 N ATOM 0 H LYS A 87 -14.652 -27.263 -9.579 1.00 13.34 H new ATOM 0 HA LYS A 87 -14.200 -28.965 -7.192 1.00 44.32 H new ATOM 0 HB2 LYS A 87 -12.507 -30.140 -8.409 1.00 31.03 H new ATOM 0 HB3 LYS A 87 -13.955 -30.155 -9.395 1.00 31.03 H new ATOM 0 HG2 LYS A 87 -13.052 -28.303 -10.766 1.00 42.11 H new ATOM 0 HG3 LYS A 87 -11.609 -28.264 -9.772 1.00 42.11 H new ATOM 0 HD2 LYS A 87 -11.089 -29.547 -11.739 1.00 0.30 H new ATOM 0 HD3 LYS A 87 -11.171 -30.666 -10.393 1.00 0.30 H new ATOM 0 HE2 LYS A 87 -13.503 -31.262 -11.034 1.00 53.14 H new ATOM 0 HE3 LYS A 87 -13.413 -30.149 -12.385 1.00 53.14 H new ATOM 0 HZ1 LYS A 87 -12.956 -32.406 -13.077 1.00 13.00 H new ATOM 0 HZ2 LYS A 87 -11.576 -31.442 -13.293 1.00 13.00 H new ATOM 0 HZ3 LYS A 87 -11.662 -32.520 -11.984 1.00 13.00 H new ATOM 1363 N ARG A 88 -11.926 -27.837 -6.683 1.00 51.11 N ATOM 1364 CA ARG A 88 -10.821 -27.002 -6.218 1.00 14.34 C ATOM 1365 C ARG A 88 -9.901 -26.674 -7.390 1.00 74.43 C ATOM 1366 O ARG A 88 -9.342 -27.577 -8.018 1.00 42.44 O ATOM 1367 CB ARG A 88 -10.017 -27.745 -5.144 1.00 4.11 C ATOM 1368 CG ARG A 88 -9.801 -26.976 -3.847 1.00 14.41 C ATOM 1369 CD ARG A 88 -11.072 -26.909 -3.013 1.00 44.32 C ATOM 1370 NE ARG A 88 -10.786 -26.710 -1.593 1.00 62.04 N ATOM 1371 CZ ARG A 88 -11.583 -27.118 -0.600 1.00 23.11 C ATOM 1372 NH1 ARG A 88 -12.717 -27.756 -0.867 1.00 51.14 N ATOM 1373 NH2 ARG A 88 -11.231 -26.896 0.659 1.00 34.24 N ATOM 0 H ARG A 88 -11.992 -28.739 -6.211 1.00 51.11 H new ATOM 0 HA ARG A 88 -11.227 -26.083 -5.796 1.00 14.34 H new ATOM 0 HB2 ARG A 88 -10.528 -28.680 -4.913 1.00 4.11 H new ATOM 0 HB3 ARG A 88 -9.044 -28.008 -5.558 1.00 4.11 H new ATOM 0 HG2 ARG A 88 -9.011 -27.454 -3.268 1.00 14.41 H new ATOM 0 HG3 ARG A 88 -9.462 -25.966 -4.075 1.00 14.41 H new ATOM 0 HD2 ARG A 88 -11.700 -26.094 -3.374 1.00 44.32 H new ATOM 0 HD3 ARG A 88 -11.640 -27.830 -3.143 1.00 44.32 H new ATOM 0 HE ARG A 88 -9.922 -26.228 -1.344 1.00 62.04 H new ATOM 0 HH11 ARG A 88 -12.984 -27.937 -1.834 1.00 51.14 H new ATOM 0 HH12 ARG A 88 -13.320 -28.065 -0.105 1.00 51.14 H new ATOM 0 HH21 ARG A 88 -10.355 -26.416 0.867 1.00 34.24 H new ATOM 0 HH22 ARG A 88 -11.836 -27.205 1.420 1.00 34.24 H new ATOM 1387 N ALA A 89 -9.752 -25.399 -7.695 1.00 3.30 N ATOM 1388 CA ALA A 89 -8.924 -24.994 -8.814 1.00 54.14 C ATOM 1389 C ALA A 89 -7.447 -25.139 -8.482 1.00 62.53 C ATOM 1390 O ALA A 89 -6.987 -24.707 -7.425 1.00 21.21 O ATOM 1391 CB ALA A 89 -9.238 -23.568 -9.225 1.00 0.30 C ATOM 0 H ALA A 89 -10.190 -24.631 -7.187 1.00 3.30 H new ATOM 0 HA ALA A 89 -9.149 -25.653 -9.652 1.00 54.14 H new ATOM 0 HB1 ALA A 89 -8.606 -23.284 -10.066 1.00 0.30 H new ATOM 0 HB2 ALA A 89 -10.285 -23.496 -9.518 1.00 0.30 H new ATOM 0 HB3 ALA A 89 -9.049 -22.898 -8.387 1.00 0.30 H new ATOM 1397 N VAL A 90 -6.713 -25.779 -9.376 1.00 31.14 N ATOM 1398 CA VAL A 90 -5.274 -25.910 -9.231 1.00 61.52 C ATOM 1399 C VAL A 90 -4.592 -24.618 -9.655 1.00 73.32 C ATOM 1400 O VAL A 90 -5.115 -23.886 -10.487 1.00 72.54 O ATOM 1401 CB VAL A 90 -4.730 -27.097 -10.067 1.00 63.22 C ATOM 1402 CG1 VAL A 90 -5.084 -26.942 -11.537 1.00 43.03 C ATOM 1403 CG2 VAL A 90 -3.227 -27.250 -9.895 1.00 5.44 C ATOM 0 H VAL A 90 -7.093 -26.218 -10.214 1.00 31.14 H new ATOM 0 HA VAL A 90 -5.055 -26.109 -8.182 1.00 61.52 H new ATOM 0 HB VAL A 90 -5.208 -28.003 -9.695 1.00 63.22 H new ATOM 0 HG11 VAL A 90 -4.689 -27.789 -12.098 1.00 43.03 H new ATOM 0 HG12 VAL A 90 -6.168 -26.906 -11.648 1.00 43.03 H new ATOM 0 HG13 VAL A 90 -4.649 -26.019 -11.921 1.00 43.03 H new ATOM 0 HG21 VAL A 90 -2.876 -28.091 -10.494 1.00 5.44 H new ATOM 0 HG22 VAL A 90 -2.729 -26.338 -10.223 1.00 5.44 H new ATOM 0 HG23 VAL A 90 -2.998 -27.432 -8.845 1.00 5.44 H new