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 15 LYS NZ :NH3+ 150:sc= -1.61! (180deg=-3.68!) USER MOD Set 1.2: A 61 THR OG1 : rot 73:sc= 0.351 USER MOD Set 2.1: A 33 HIS : no HD1:sc= -2.04! K(o=-2.3!,f=-1) USER MOD Set 2.2: A 36 GLN : amide:sc= -0.304! K(o=-2.3!,f=-1) USER MOD Single : A 12 GLN : amide:sc= -0.0282 K(o=-0.028,f=-1.1) USER MOD Single : A 22 SER OG : rot 160:sc= -0.291 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.0588 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 29 SER OG : rot 180:sc= 0.63 USER MOD Single : A 32 SER OG : rot 77:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 82:sc= 0.855 USER MOD Single : A 43 CYS SG : rot 80:sc= -3.65! USER MOD Single : A 46 MET CE :methyl 168:sc= -0.642 (180deg=-1.18) USER MOD Single : A 62 TYR OH : rot 19:sc= 0.822 USER MOD Single : A 64 THR OG1 : rot -177:sc= 0.102 USER MOD Single : A 72 MET CE :methyl -161:sc= -0.924 (180deg=-2.18) USER MOD Single : A 73 ASN : amide:sc= 1.02 K(o=1,f=-0.25) USER MOD Single : A 77 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-3.3) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.0168 (180deg=-0.173) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -4.776 -18.131 -3.745 1.00 23.42 N ATOM 149 CA GLU A 11 -5.882 -17.670 -4.570 1.00 63.04 C ATOM 150 C GLU A 11 -6.452 -18.818 -5.398 1.00 0.55 C ATOM 151 O GLU A 11 -7.661 -18.892 -5.623 1.00 71.35 O ATOM 152 CB GLU A 11 -5.385 -16.512 -5.457 1.00 73.42 C ATOM 153 CG GLU A 11 -6.099 -16.344 -6.795 1.00 21.51 C ATOM 154 CD GLU A 11 -5.436 -17.115 -7.928 1.00 31.02 C ATOM 155 OE1 GLU A 11 -6.010 -18.124 -8.380 1.00 42.11 O ATOM 156 OE2 GLU A 11 -4.342 -16.709 -8.375 1.00 34.14 O ATOM 0 HA GLU A 11 -6.693 -17.306 -3.939 1.00 63.04 H new ATOM 0 HB2 GLU A 11 -5.482 -15.583 -4.896 1.00 73.42 H new ATOM 0 HB3 GLU A 11 -4.322 -16.658 -5.650 1.00 73.42 H new ATOM 0 HG2 GLU A 11 -7.132 -16.677 -6.693 1.00 21.51 H new ATOM 0 HG3 GLU A 11 -6.129 -15.285 -7.053 1.00 21.51 H new ATOM 163 N GLN A 12 -5.578 -19.720 -5.824 1.00 54.54 N ATOM 164 CA GLN A 12 -5.986 -20.873 -6.616 1.00 40.44 C ATOM 165 C GLN A 12 -6.820 -21.831 -5.769 1.00 65.12 C ATOM 166 O GLN A 12 -7.721 -22.497 -6.263 1.00 4.01 O ATOM 167 CB GLN A 12 -4.748 -21.585 -7.164 1.00 44.22 C ATOM 168 CG GLN A 12 -4.035 -22.454 -6.140 1.00 64.43 C ATOM 169 CD GLN A 12 -2.647 -22.862 -6.576 1.00 11.10 C ATOM 170 OE1 GLN A 12 -1.955 -22.110 -7.252 1.00 20.04 O ATOM 171 NE2 GLN A 12 -2.240 -24.064 -6.206 1.00 5.35 N ATOM 0 H GLN A 12 -4.577 -19.675 -5.633 1.00 54.54 H new ATOM 0 HA GLN A 12 -6.599 -20.533 -7.451 1.00 40.44 H new ATOM 0 HB2 GLN A 12 -5.042 -22.205 -8.011 1.00 44.22 H new ATOM 0 HB3 GLN A 12 -4.049 -20.839 -7.543 1.00 44.22 H new ATOM 0 HG2 GLN A 12 -3.969 -21.913 -5.196 1.00 64.43 H new ATOM 0 HG3 GLN A 12 -4.629 -23.349 -5.954 1.00 64.43 H new ATOM 0 HE21 GLN A 12 -2.849 -24.658 -5.643 1.00 5.35 H new ATOM 0 HE22 GLN A 12 -1.317 -24.398 -6.484 1.00 5.35 H new ATOM 180 N LEU A 13 -6.515 -21.868 -4.481 1.00 24.44 N ATOM 181 CA LEU A 13 -7.207 -22.738 -3.544 1.00 12.21 C ATOM 182 C LEU A 13 -8.610 -22.223 -3.275 1.00 44.32 C ATOM 183 O LEU A 13 -9.563 -22.995 -3.141 1.00 3.10 O ATOM 184 CB LEU A 13 -6.423 -22.797 -2.237 1.00 20.52 C ATOM 185 CG LEU A 13 -7.203 -23.324 -1.042 1.00 1.01 C ATOM 186 CD1 LEU A 13 -7.467 -24.809 -1.189 1.00 11.21 C ATOM 187 CD2 LEU A 13 -6.460 -23.016 0.240 1.00 43.22 C ATOM 0 H LEU A 13 -5.783 -21.298 -4.057 1.00 24.44 H new ATOM 0 HA LEU A 13 -7.280 -23.736 -3.976 1.00 12.21 H new ATOM 0 HB2 LEU A 13 -5.546 -23.427 -2.385 1.00 20.52 H new ATOM 0 HB3 LEU A 13 -6.061 -21.796 -2.003 1.00 20.52 H new ATOM 0 HG LEU A 13 -8.170 -22.823 -1.001 1.00 1.01 H new ATOM 0 HD11 LEU A 13 -8.026 -25.167 -0.324 1.00 11.21 H new ATOM 0 HD12 LEU A 13 -8.047 -24.988 -2.095 1.00 11.21 H new ATOM 0 HD13 LEU A 13 -6.519 -25.342 -1.254 1.00 11.21 H new ATOM 0 HD21 LEU A 13 -7.027 -23.397 1.090 1.00 43.22 H new ATOM 0 HD22 LEU A 13 -5.479 -23.491 0.215 1.00 43.22 H new ATOM 0 HD23 LEU A 13 -6.338 -21.937 0.340 1.00 43.22 H new ATOM 199 N ARG A 14 -8.717 -20.910 -3.181 1.00 4.24 N ATOM 200 CA ARG A 14 -9.993 -20.263 -2.917 1.00 72.00 C ATOM 201 C ARG A 14 -10.815 -20.140 -4.195 1.00 10.23 C ATOM 202 O ARG A 14 -11.983 -19.747 -4.166 1.00 70.12 O ATOM 203 CB ARG A 14 -9.774 -18.881 -2.300 1.00 34.42 C ATOM 204 CG ARG A 14 -9.244 -18.922 -0.875 1.00 45.43 C ATOM 205 CD ARG A 14 -9.220 -17.534 -0.260 1.00 24.33 C ATOM 206 NE ARG A 14 -8.910 -17.562 1.167 1.00 2.04 N ATOM 207 CZ ARG A 14 -8.670 -16.470 1.891 1.00 12.23 C ATOM 208 NH1 ARG A 14 -8.597 -15.286 1.300 1.00 1.13 N ATOM 209 NH2 ARG A 14 -8.477 -16.570 3.202 1.00 53.12 N ATOM 0 H ARG A 14 -7.932 -20.267 -3.284 1.00 4.24 H new ATOM 0 HA ARG A 14 -10.545 -20.882 -2.210 1.00 72.00 H new ATOM 0 HB2 ARG A 14 -9.075 -18.322 -2.922 1.00 34.42 H new ATOM 0 HB3 ARG A 14 -10.717 -18.335 -2.311 1.00 34.42 H new ATOM 0 HG2 ARG A 14 -9.868 -19.580 -0.270 1.00 45.43 H new ATOM 0 HG3 ARG A 14 -8.239 -19.343 -0.870 1.00 45.43 H new ATOM 0 HD2 ARG A 14 -8.480 -16.923 -0.778 1.00 24.33 H new ATOM 0 HD3 ARG A 14 -10.189 -17.057 -0.409 1.00 24.33 H new ATOM 0 HE ARG A 14 -8.875 -18.468 1.635 1.00 2.04 H new ATOM 0 HH11 ARG A 14 -8.725 -15.211 0.291 1.00 1.13 H new ATOM 0 HH12 ARG A 14 -8.413 -14.450 1.854 1.00 1.13 H new ATOM 0 HH21 ARG A 14 -8.513 -17.483 3.655 1.00 53.12 H new ATOM 0 HH22 ARG A 14 -8.293 -15.733 3.756 1.00 53.12 H new ATOM 223 N LYS A 15 -10.192 -20.461 -5.316 1.00 13.04 N ATOM 224 CA LYS A 15 -10.845 -20.400 -6.602 1.00 23.13 C ATOM 225 C LYS A 15 -11.505 -21.727 -6.961 1.00 65.14 C ATOM 226 O LYS A 15 -10.939 -22.799 -6.753 1.00 3.15 O ATOM 227 CB LYS A 15 -9.814 -20.020 -7.653 1.00 73.14 C ATOM 228 CG LYS A 15 -10.322 -20.081 -9.077 1.00 12.30 C ATOM 229 CD LYS A 15 -9.260 -19.614 -10.052 1.00 52.11 C ATOM 230 CE LYS A 15 -9.129 -18.103 -10.050 1.00 12.51 C ATOM 231 NZ LYS A 15 -8.517 -17.566 -8.805 1.00 50.05 N ATOM 0 H LYS A 15 -9.221 -20.770 -5.355 1.00 13.04 H new ATOM 0 HA LYS A 15 -11.635 -19.650 -6.561 1.00 23.13 H new ATOM 0 HB2 LYS A 15 -9.461 -19.009 -7.449 1.00 73.14 H new ATOM 0 HB3 LYS A 15 -8.954 -20.683 -7.558 1.00 73.14 H new ATOM 0 HG2 LYS A 15 -10.618 -21.102 -9.318 1.00 12.30 H new ATOM 0 HG3 LYS A 15 -11.211 -19.459 -9.177 1.00 12.30 H new ATOM 0 HD2 LYS A 15 -8.302 -20.064 -9.791 1.00 52.11 H new ATOM 0 HD3 LYS A 15 -9.510 -19.957 -11.056 1.00 52.11 H new ATOM 0 HE2 LYS A 15 -8.525 -17.797 -10.904 1.00 12.51 H new ATOM 0 HE3 LYS A 15 -10.116 -17.660 -10.182 1.00 12.51 H new ATOM 0 HZ1 LYS A 15 -8.000 -16.690 -9.022 1.00 50.05 H new ATOM 0 HZ2 LYS A 15 -9.264 -17.364 -8.110 1.00 50.05 H new ATOM 0 HZ3 LYS A 15 -7.858 -18.268 -8.411 1.00 50.05 H new ATOM 245 N LEU A 16 -12.712 -21.634 -7.487 1.00 22.32 N ATOM 246 CA LEU A 16 -13.430 -22.787 -7.996 1.00 41.25 C ATOM 247 C LEU A 16 -13.311 -22.867 -9.514 1.00 32.13 C ATOM 248 O LEU A 16 -13.500 -21.871 -10.218 1.00 0.21 O ATOM 249 CB LEU A 16 -14.906 -22.701 -7.604 1.00 30.13 C ATOM 250 CG LEU A 16 -15.309 -23.460 -6.337 1.00 20.51 C ATOM 251 CD1 LEU A 16 -16.819 -23.470 -6.186 1.00 12.43 C ATOM 252 CD2 LEU A 16 -14.777 -24.883 -6.364 1.00 72.41 C ATOM 0 H LEU A 16 -13.223 -20.755 -7.573 1.00 22.32 H new ATOM 0 HA LEU A 16 -12.990 -23.684 -7.560 1.00 41.25 H new ATOM 0 HB2 LEU A 16 -15.166 -21.651 -7.473 1.00 30.13 H new ATOM 0 HB3 LEU A 16 -15.504 -23.076 -8.434 1.00 30.13 H new ATOM 0 HG LEU A 16 -14.871 -22.947 -5.481 1.00 20.51 H new ATOM 0 HD11 LEU A 16 -17.091 -24.013 -5.281 1.00 12.43 H new ATOM 0 HD12 LEU A 16 -17.185 -22.445 -6.118 1.00 12.43 H new ATOM 0 HD13 LEU A 16 -17.268 -23.959 -7.051 1.00 12.43 H new ATOM 0 HD21 LEU A 16 -15.077 -25.401 -5.453 1.00 72.41 H new ATOM 0 HD22 LEU A 16 -15.183 -25.407 -7.229 1.00 72.41 H new ATOM 0 HD23 LEU A 16 -13.689 -24.864 -6.429 1.00 72.41 H new ATOM 264 N PHE A 17 -12.983 -24.052 -9.999 1.00 34.02 N ATOM 265 CA PHE A 17 -12.944 -24.337 -11.423 1.00 13.50 C ATOM 266 C PHE A 17 -14.292 -24.894 -11.853 1.00 62.15 C ATOM 267 O PHE A 17 -14.672 -25.995 -11.451 1.00 1.51 O ATOM 268 CB PHE A 17 -11.830 -25.345 -11.726 1.00 34.02 C ATOM 269 CG PHE A 17 -11.671 -25.677 -13.185 1.00 53.10 C ATOM 270 CD1 PHE A 17 -11.685 -26.992 -13.620 1.00 24.55 C ATOM 271 CD2 PHE A 17 -11.491 -24.674 -14.117 1.00 32.24 C ATOM 272 CE1 PHE A 17 -11.518 -27.294 -14.959 1.00 2.02 C ATOM 273 CE2 PHE A 17 -11.328 -24.969 -15.454 1.00 11.24 C ATOM 274 CZ PHE A 17 -11.340 -26.280 -15.877 1.00 34.32 C ATOM 0 H PHE A 17 -12.735 -24.849 -9.412 1.00 34.02 H new ATOM 0 HA PHE A 17 -12.738 -23.421 -11.976 1.00 13.50 H new ATOM 0 HB2 PHE A 17 -10.886 -24.948 -11.351 1.00 34.02 H new ATOM 0 HB3 PHE A 17 -12.030 -26.265 -11.176 1.00 34.02 H new ATOM 0 HD1 PHE A 17 -11.828 -27.790 -12.906 1.00 24.55 H new ATOM 0 HD2 PHE A 17 -11.478 -23.644 -13.794 1.00 32.24 H new ATOM 0 HE1 PHE A 17 -11.527 -28.323 -15.286 1.00 2.02 H new ATOM 0 HE2 PHE A 17 -11.191 -24.172 -16.170 1.00 11.24 H new ATOM 0 HZ PHE A 17 -11.211 -26.513 -16.924 1.00 34.32 H new ATOM 284 N ILE A 18 -15.021 -24.124 -12.641 1.00 74.23 N ATOM 285 CA ILE A 18 -16.367 -24.500 -13.033 1.00 23.45 C ATOM 286 C ILE A 18 -16.390 -24.953 -14.479 1.00 33.21 C ATOM 287 O ILE A 18 -16.349 -24.132 -15.393 1.00 63.22 O ATOM 288 CB ILE A 18 -17.353 -23.326 -12.868 1.00 23.42 C ATOM 289 CG1 ILE A 18 -17.152 -22.639 -11.516 1.00 25.52 C ATOM 290 CG2 ILE A 18 -18.786 -23.812 -13.012 1.00 12.03 C ATOM 291 CD1 ILE A 18 -17.236 -23.577 -10.331 1.00 0.41 C ATOM 0 H ILE A 18 -14.703 -23.233 -13.022 1.00 74.23 H new ATOM 0 HA ILE A 18 -16.676 -25.316 -12.380 1.00 23.45 H new ATOM 0 HB ILE A 18 -17.155 -22.597 -13.654 1.00 23.42 H new ATOM 0 HG12 ILE A 18 -16.178 -22.149 -11.510 1.00 25.52 H new ATOM 0 HG13 ILE A 18 -17.903 -21.857 -11.402 1.00 25.52 H new ATOM 0 HG21 ILE A 18 -19.469 -22.971 -12.893 1.00 12.03 H new ATOM 0 HG22 ILE A 18 -18.923 -24.254 -13.999 1.00 12.03 H new ATOM 0 HG23 ILE A 18 -18.995 -24.560 -12.247 1.00 12.03 H new ATOM 0 HD11 ILE A 18 -17.083 -23.014 -9.410 1.00 0.41 H new ATOM 0 HD12 ILE A 18 -18.218 -24.049 -10.309 1.00 0.41 H new ATOM 0 HD13 ILE A 18 -16.467 -24.344 -10.419 1.00 0.41 H new ATOM 303 N GLY A 19 -16.452 -26.253 -14.687 1.00 42.23 N ATOM 304 CA GLY A 19 -16.453 -26.775 -16.033 1.00 73.21 C ATOM 305 C GLY A 19 -17.779 -27.394 -16.411 1.00 55.21 C ATOM 306 O GLY A 19 -18.473 -27.953 -15.559 1.00 15.11 O ATOM 0 H GLY A 19 -16.502 -26.957 -13.950 1.00 42.23 H new ATOM 0 HA2 GLY A 19 -16.218 -25.972 -16.731 1.00 73.21 H new ATOM 0 HA3 GLY A 19 -15.666 -27.522 -16.130 1.00 73.21 H new ATOM 310 N GLY A 20 -18.137 -27.283 -17.686 1.00 32.34 N ATOM 311 CA GLY A 20 -19.353 -27.898 -18.175 1.00 43.24 C ATOM 312 C GLY A 20 -20.567 -27.012 -17.998 1.00 54.24 C ATOM 313 O GLY A 20 -21.564 -27.429 -17.416 1.00 21.10 O ATOM 0 H GLY A 20 -17.602 -26.775 -18.391 1.00 32.34 H new ATOM 0 HA2 GLY A 20 -19.234 -28.138 -19.232 1.00 43.24 H new ATOM 0 HA3 GLY A 20 -19.516 -28.839 -17.650 1.00 43.24 H new ATOM 317 N LEU A 21 -20.484 -25.787 -18.500 1.00 51.05 N ATOM 318 CA LEU A 21 -21.597 -24.853 -18.411 1.00 15.21 C ATOM 319 C LEU A 21 -21.997 -24.353 -19.791 1.00 33.34 C ATOM 320 O LEU A 21 -21.262 -24.534 -20.762 1.00 34.02 O ATOM 321 CB LEU A 21 -21.254 -23.688 -17.474 1.00 31.24 C ATOM 322 CG LEU A 21 -19.876 -23.057 -17.671 1.00 41.51 C ATOM 323 CD1 LEU A 21 -19.920 -21.948 -18.708 1.00 33.53 C ATOM 324 CD2 LEU A 21 -19.355 -22.533 -16.347 1.00 45.50 C ATOM 0 H LEU A 21 -19.659 -25.418 -18.972 1.00 51.05 H new ATOM 0 HA LEU A 21 -22.453 -25.380 -17.989 1.00 15.21 H new ATOM 0 HB2 LEU A 21 -22.009 -22.912 -17.599 1.00 31.24 H new ATOM 0 HB3 LEU A 21 -21.327 -24.041 -16.445 1.00 31.24 H new ATOM 0 HG LEU A 21 -19.196 -23.825 -18.041 1.00 41.51 H new ATOM 0 HD11 LEU A 21 -18.925 -21.520 -18.825 1.00 33.53 H new ATOM 0 HD12 LEU A 21 -20.254 -22.355 -19.662 1.00 33.53 H new ATOM 0 HD13 LEU A 21 -20.613 -21.172 -18.382 1.00 33.53 H new ATOM 0 HD21 LEU A 21 -18.373 -22.085 -16.494 1.00 45.50 H new ATOM 0 HD22 LEU A 21 -20.042 -21.782 -15.957 1.00 45.50 H new ATOM 0 HD23 LEU A 21 -19.275 -23.355 -15.636 1.00 45.50 H new ATOM 336 N SER A 22 -23.162 -23.725 -19.869 1.00 62.24 N ATOM 337 CA SER A 22 -23.725 -23.301 -21.138 1.00 23.15 C ATOM 338 C SER A 22 -22.882 -22.210 -21.794 1.00 11.35 C ATOM 339 O SER A 22 -22.105 -21.522 -21.132 1.00 74.40 O ATOM 340 CB SER A 22 -25.145 -22.781 -20.926 1.00 2.33 C ATOM 341 OG SER A 22 -25.946 -23.723 -20.233 1.00 72.10 O ATOM 0 H SER A 22 -23.738 -23.497 -19.059 1.00 62.24 H new ATOM 0 HA SER A 22 -23.736 -24.167 -21.800 1.00 23.15 H new ATOM 0 HB2 SER A 22 -25.111 -21.847 -20.364 1.00 2.33 H new ATOM 0 HB3 SER A 22 -25.599 -22.556 -21.891 1.00 2.33 H new ATOM 0 HG SER A 22 -26.718 -23.267 -19.837 1.00 72.10 H new ATOM 347 N PHE A 23 -23.070 -22.032 -23.095 1.00 63.34 N ATOM 348 CA PHE A 23 -22.365 -20.997 -23.838 1.00 75.12 C ATOM 349 C PHE A 23 -23.046 -19.651 -23.632 1.00 3.11 C ATOM 350 O PHE A 23 -22.640 -18.633 -24.192 1.00 64.13 O ATOM 351 CB PHE A 23 -22.315 -21.347 -25.326 1.00 42.04 C ATOM 352 CG PHE A 23 -21.687 -22.682 -25.596 1.00 52.24 C ATOM 353 CD1 PHE A 23 -22.476 -23.803 -25.792 1.00 25.23 C ATOM 354 CD2 PHE A 23 -20.310 -22.819 -25.643 1.00 61.14 C ATOM 355 CE1 PHE A 23 -21.902 -25.036 -26.029 1.00 60.12 C ATOM 356 CE2 PHE A 23 -19.730 -24.049 -25.881 1.00 2.24 C ATOM 357 CZ PHE A 23 -20.527 -25.160 -26.074 1.00 5.44 C ATOM 0 H PHE A 23 -23.708 -22.594 -23.659 1.00 63.34 H new ATOM 0 HA PHE A 23 -21.343 -20.934 -23.466 1.00 75.12 H new ATOM 0 HB2 PHE A 23 -23.328 -21.341 -25.729 1.00 42.04 H new ATOM 0 HB3 PHE A 23 -21.756 -20.576 -25.856 1.00 42.04 H new ATOM 0 HD1 PHE A 23 -23.552 -23.712 -25.759 1.00 25.23 H new ATOM 0 HD2 PHE A 23 -19.682 -21.953 -25.492 1.00 61.14 H new ATOM 0 HE1 PHE A 23 -22.528 -25.903 -26.179 1.00 60.12 H new ATOM 0 HE2 PHE A 23 -18.655 -24.142 -25.916 1.00 2.24 H new ATOM 0 HZ PHE A 23 -20.076 -26.124 -26.260 1.00 5.44 H new ATOM 367 N GLU A 24 -24.095 -19.666 -22.825 1.00 31.24 N ATOM 368 CA GLU A 24 -24.808 -18.456 -22.466 1.00 32.30 C ATOM 369 C GLU A 24 -24.382 -18.006 -21.078 1.00 74.30 C ATOM 370 O GLU A 24 -24.645 -16.877 -20.664 1.00 23.31 O ATOM 371 CB GLU A 24 -26.310 -18.712 -22.495 1.00 65.50 C ATOM 372 CG GLU A 24 -26.781 -19.352 -23.788 1.00 41.35 C ATOM 373 CD GLU A 24 -28.278 -19.562 -23.817 1.00 72.22 C ATOM 374 OE1 GLU A 24 -29.017 -18.701 -23.293 1.00 24.31 O ATOM 375 OE2 GLU A 24 -28.727 -20.586 -24.367 1.00 61.42 O ATOM 0 H GLU A 24 -24.473 -20.514 -22.403 1.00 31.24 H new ATOM 0 HA GLU A 24 -24.571 -17.671 -23.184 1.00 32.30 H new ATOM 0 HB2 GLU A 24 -26.579 -19.357 -21.659 1.00 65.50 H new ATOM 0 HB3 GLU A 24 -26.836 -17.768 -22.351 1.00 65.50 H new ATOM 0 HG2 GLU A 24 -26.489 -18.723 -24.629 1.00 41.35 H new ATOM 0 HG3 GLU A 24 -26.280 -20.311 -23.919 1.00 41.35 H new ATOM 382 N THR A 25 -23.719 -18.908 -20.372 1.00 61.42 N ATOM 383 CA THR A 25 -23.238 -18.643 -19.035 1.00 73.43 C ATOM 384 C THR A 25 -22.053 -17.683 -19.072 1.00 61.13 C ATOM 385 O THR A 25 -20.964 -18.035 -19.531 1.00 53.13 O ATOM 386 CB THR A 25 -22.821 -19.954 -18.351 1.00 45.34 C ATOM 387 OG1 THR A 25 -23.901 -20.895 -18.411 1.00 11.53 O ATOM 388 CG2 THR A 25 -22.432 -19.714 -16.902 1.00 62.53 C ATOM 0 H THR A 25 -23.501 -19.844 -20.714 1.00 61.42 H new ATOM 0 HA THR A 25 -24.046 -18.183 -18.466 1.00 73.43 H new ATOM 0 HB THR A 25 -21.954 -20.354 -18.877 1.00 45.34 H new ATOM 0 HG1 THR A 25 -23.772 -21.585 -17.727 1.00 11.53 H new ATOM 0 HG21 THR A 25 -22.141 -20.658 -16.442 1.00 62.53 H new ATOM 0 HG22 THR A 25 -21.595 -19.017 -16.861 1.00 62.53 H new ATOM 0 HG23 THR A 25 -23.281 -19.294 -16.362 1.00 62.53 H new ATOM 396 N THR A 26 -22.281 -16.467 -18.607 1.00 74.31 N ATOM 397 CA THR A 26 -21.246 -15.453 -18.574 1.00 43.43 C ATOM 398 C THR A 26 -20.961 -15.054 -17.138 1.00 71.25 C ATOM 399 O THR A 26 -21.700 -15.437 -16.233 1.00 44.15 O ATOM 400 CB THR A 26 -21.637 -14.224 -19.428 1.00 41.41 C ATOM 401 OG1 THR A 26 -20.618 -13.218 -19.360 1.00 42.35 O ATOM 402 CG2 THR A 26 -22.967 -13.642 -18.981 1.00 11.41 C ATOM 0 H THR A 26 -23.183 -16.158 -18.244 1.00 74.31 H new ATOM 0 HA THR A 26 -20.337 -15.870 -19.007 1.00 43.43 H new ATOM 0 HB THR A 26 -21.739 -14.559 -20.460 1.00 41.41 H new ATOM 0 HG1 THR A 26 -20.881 -12.449 -19.907 1.00 42.35 H new ATOM 0 HG21 THR A 26 -23.214 -12.780 -19.601 1.00 11.41 H new ATOM 0 HG22 THR A 26 -23.747 -14.397 -19.082 1.00 11.41 H new ATOM 0 HG23 THR A 26 -22.896 -13.331 -17.939 1.00 11.41 H new ATOM 410 N ASP A 27 -19.880 -14.307 -16.942 1.00 3.11 N ATOM 411 CA ASP A 27 -19.409 -13.920 -15.611 1.00 42.31 C ATOM 412 C ASP A 27 -20.562 -13.471 -14.725 1.00 11.10 C ATOM 413 O ASP A 27 -20.727 -13.956 -13.605 1.00 40.41 O ATOM 414 CB ASP A 27 -18.399 -12.772 -15.695 1.00 33.23 C ATOM 415 CG ASP A 27 -17.545 -12.796 -16.944 1.00 72.34 C ATOM 416 OD1 ASP A 27 -17.806 -11.989 -17.856 1.00 42.21 O ATOM 417 OD2 ASP A 27 -16.611 -13.613 -17.023 1.00 54.42 O ATOM 0 H ASP A 27 -19.302 -13.950 -17.703 1.00 3.11 H new ATOM 0 HA ASP A 27 -18.935 -14.802 -15.180 1.00 42.31 H new ATOM 0 HB2 ASP A 27 -18.936 -11.825 -15.652 1.00 33.23 H new ATOM 0 HB3 ASP A 27 -17.748 -12.809 -14.821 1.00 33.23 H new ATOM 422 N GLU A 28 -21.369 -12.559 -15.251 1.00 40.21 N ATOM 423 CA GLU A 28 -22.466 -11.975 -14.496 1.00 11.34 C ATOM 424 C GLU A 28 -23.515 -13.015 -14.118 1.00 74.13 C ATOM 425 O GLU A 28 -23.954 -13.064 -12.970 1.00 44.43 O ATOM 426 CB GLU A 28 -23.110 -10.832 -15.289 1.00 54.10 C ATOM 427 CG GLU A 28 -23.685 -11.257 -16.633 1.00 14.43 C ATOM 428 CD GLU A 28 -24.283 -10.106 -17.413 1.00 11.50 C ATOM 429 OE1 GLU A 28 -23.554 -9.492 -18.219 1.00 72.40 O ATOM 430 OE2 GLU A 28 -25.482 -9.809 -17.229 1.00 62.30 O ATOM 0 H GLU A 28 -21.282 -12.207 -16.204 1.00 40.21 H new ATOM 0 HA GLU A 28 -22.051 -11.578 -13.570 1.00 11.34 H new ATOM 0 HB2 GLU A 28 -23.905 -10.390 -14.689 1.00 54.10 H new ATOM 0 HB3 GLU A 28 -22.365 -10.053 -15.454 1.00 54.10 H new ATOM 0 HG2 GLU A 28 -22.898 -11.721 -17.228 1.00 14.43 H new ATOM 0 HG3 GLU A 28 -24.451 -12.015 -16.470 1.00 14.43 H new ATOM 437 N SER A 29 -23.891 -13.872 -15.058 1.00 22.43 N ATOM 438 CA SER A 29 -24.982 -14.802 -14.815 1.00 13.11 C ATOM 439 C SER A 29 -24.489 -16.002 -14.020 1.00 52.21 C ATOM 440 O SER A 29 -25.252 -16.645 -13.299 1.00 64.10 O ATOM 441 CB SER A 29 -25.614 -15.238 -16.135 1.00 62.32 C ATOM 442 OG SER A 29 -24.643 -15.748 -17.032 1.00 2.14 O ATOM 0 H SER A 29 -23.464 -13.942 -15.982 1.00 22.43 H new ATOM 0 HA SER A 29 -25.748 -14.298 -14.225 1.00 13.11 H new ATOM 0 HB2 SER A 29 -26.370 -16.000 -15.944 1.00 62.32 H new ATOM 0 HB3 SER A 29 -26.124 -14.391 -16.593 1.00 62.32 H new ATOM 0 HG SER A 29 -25.079 -16.020 -17.866 1.00 2.14 H new ATOM 448 N LEU A 30 -23.200 -16.277 -14.133 1.00 43.12 N ATOM 449 CA LEU A 30 -22.593 -17.371 -13.403 1.00 61.13 C ATOM 450 C LEU A 30 -22.393 -16.969 -11.954 1.00 31.13 C ATOM 451 O LEU A 30 -22.720 -17.722 -11.036 1.00 51.11 O ATOM 452 CB LEU A 30 -21.259 -17.775 -14.043 1.00 40.32 C ATOM 453 CG LEU A 30 -20.513 -18.917 -13.343 1.00 1.33 C ATOM 454 CD1 LEU A 30 -19.798 -19.785 -14.359 1.00 40.12 C ATOM 455 CD2 LEU A 30 -19.510 -18.365 -12.346 1.00 63.25 C ATOM 0 H LEU A 30 -22.555 -15.755 -14.726 1.00 43.12 H new ATOM 0 HA LEU A 30 -23.257 -18.234 -13.442 1.00 61.13 H new ATOM 0 HB2 LEU A 30 -21.445 -18.065 -15.077 1.00 40.32 H new ATOM 0 HB3 LEU A 30 -20.608 -16.901 -14.069 1.00 40.32 H new ATOM 0 HG LEU A 30 -21.245 -19.524 -12.810 1.00 1.33 H new ATOM 0 HD11 LEU A 30 -19.274 -20.590 -13.845 1.00 40.12 H new ATOM 0 HD12 LEU A 30 -20.525 -20.209 -15.051 1.00 40.12 H new ATOM 0 HD13 LEU A 30 -19.080 -19.180 -14.913 1.00 40.12 H new ATOM 0 HD21 LEU A 30 -18.990 -19.190 -11.859 1.00 63.25 H new ATOM 0 HD22 LEU A 30 -18.787 -17.737 -12.867 1.00 63.25 H new ATOM 0 HD23 LEU A 30 -20.032 -17.771 -11.596 1.00 63.25 H new ATOM 467 N ARG A 31 -21.872 -15.765 -11.750 1.00 32.43 N ATOM 468 CA ARG A 31 -21.604 -15.288 -10.408 1.00 22.10 C ATOM 469 C ARG A 31 -22.906 -15.127 -9.637 1.00 10.21 C ATOM 470 O ARG A 31 -22.955 -15.395 -8.448 1.00 45.53 O ATOM 471 CB ARG A 31 -20.810 -13.975 -10.432 1.00 72.34 C ATOM 472 CG ARG A 31 -21.653 -12.715 -10.334 1.00 22.32 C ATOM 473 CD ARG A 31 -20.798 -11.471 -10.488 1.00 71.45 C ATOM 474 NE ARG A 31 -21.507 -10.267 -10.069 1.00 2.20 N ATOM 475 CZ ARG A 31 -21.051 -9.032 -10.260 1.00 54.24 C ATOM 476 NH1 ARG A 31 -19.933 -8.830 -10.950 1.00 35.43 N ATOM 477 NH2 ARG A 31 -21.723 -7.997 -9.769 1.00 33.31 N ATOM 0 H ARG A 31 -21.630 -15.109 -12.493 1.00 32.43 H new ATOM 0 HA ARG A 31 -20.990 -16.030 -9.898 1.00 22.10 H new ATOM 0 HB2 ARG A 31 -20.098 -13.983 -9.607 1.00 72.34 H new ATOM 0 HB3 ARG A 31 -20.230 -13.935 -11.354 1.00 72.34 H new ATOM 0 HG2 ARG A 31 -22.423 -12.728 -11.105 1.00 22.32 H new ATOM 0 HG3 ARG A 31 -22.166 -12.691 -9.372 1.00 22.32 H new ATOM 0 HD2 ARG A 31 -19.888 -11.580 -9.897 1.00 71.45 H new ATOM 0 HD3 ARG A 31 -20.492 -11.368 -11.529 1.00 71.45 H new ATOM 0 HE ARG A 31 -22.407 -10.379 -9.601 1.00 2.20 H new ATOM 0 HH11 ARG A 31 -19.421 -9.624 -11.335 1.00 35.43 H new ATOM 0 HH12 ARG A 31 -19.587 -7.881 -11.094 1.00 35.43 H new ATOM 0 HH21 ARG A 31 -22.586 -8.150 -9.247 1.00 33.31 H new ATOM 0 HH22 ARG A 31 -21.376 -7.049 -9.914 1.00 33.31 H new ATOM 491 N SER A 32 -23.971 -14.741 -10.331 1.00 3.32 N ATOM 492 CA SER A 32 -25.272 -14.582 -9.693 1.00 31.23 C ATOM 493 C SER A 32 -25.771 -15.911 -9.124 1.00 43.12 C ATOM 494 O SER A 32 -26.598 -15.938 -8.215 1.00 31.13 O ATOM 495 CB SER A 32 -26.290 -14.016 -10.686 1.00 52.10 C ATOM 496 OG SER A 32 -25.880 -12.752 -11.183 1.00 10.34 O ATOM 0 H SER A 32 -23.960 -14.534 -11.330 1.00 3.32 H new ATOM 0 HA SER A 32 -25.158 -13.879 -8.868 1.00 31.23 H new ATOM 0 HB2 SER A 32 -26.417 -14.711 -11.516 1.00 52.10 H new ATOM 0 HB3 SER A 32 -27.261 -13.920 -10.200 1.00 52.10 H new ATOM 0 HG SER A 32 -25.177 -12.877 -11.854 1.00 10.34 H new ATOM 502 N HIS A 33 -25.263 -17.016 -9.659 1.00 23.24 N ATOM 503 CA HIS A 33 -25.605 -18.328 -9.135 1.00 12.32 C ATOM 504 C HIS A 33 -24.638 -18.747 -8.034 1.00 21.41 C ATOM 505 O HIS A 33 -25.041 -19.318 -7.028 1.00 61.41 O ATOM 506 CB HIS A 33 -25.638 -19.377 -10.252 1.00 73.14 C ATOM 507 CG HIS A 33 -26.934 -19.391 -11.005 1.00 23.04 C ATOM 508 ND1 HIS A 33 -28.102 -19.800 -10.405 1.00 24.34 N ATOM 509 CD2 HIS A 33 -27.194 -19.047 -12.288 1.00 51.32 C ATOM 510 CE1 HIS A 33 -29.040 -19.698 -11.329 1.00 23.32 C ATOM 511 NE2 HIS A 33 -28.537 -19.247 -12.486 1.00 13.22 N ATOM 0 H HIS A 33 -24.618 -17.027 -10.449 1.00 23.24 H new ATOM 0 HA HIS A 33 -26.604 -18.261 -8.703 1.00 12.32 H new ATOM 0 HB2 HIS A 33 -24.822 -19.184 -10.948 1.00 73.14 H new ATOM 0 HB3 HIS A 33 -25.464 -20.363 -9.822 1.00 73.14 H new ATOM 0 HD2 HIS A 33 -26.482 -18.685 -13.015 1.00 51.32 H new ATOM 0 HE1 HIS A 33 -30.079 -19.946 -11.172 1.00 23.32 H new ATOM 0 HE2 HIS A 33 -29.054 -19.083 -13.350 1.00 13.22 H new ATOM 519 N PHE A 34 -23.366 -18.440 -8.202 1.00 31.32 N ATOM 520 CA PHE A 34 -22.365 -18.867 -7.235 1.00 13.44 C ATOM 521 C PHE A 34 -22.291 -17.931 -6.030 1.00 12.51 C ATOM 522 O PHE A 34 -21.811 -18.327 -4.970 1.00 64.44 O ATOM 523 CB PHE A 34 -20.999 -19.022 -7.900 1.00 4.51 C ATOM 524 CG PHE A 34 -20.865 -20.299 -8.683 1.00 42.42 C ATOM 525 CD1 PHE A 34 -20.303 -21.422 -8.099 1.00 35.31 C ATOM 526 CD2 PHE A 34 -21.308 -20.381 -9.994 1.00 75.52 C ATOM 527 CE1 PHE A 34 -20.183 -22.602 -8.806 1.00 51.04 C ATOM 528 CE2 PHE A 34 -21.191 -21.560 -10.706 1.00 11.31 C ATOM 529 CZ PHE A 34 -20.627 -22.672 -10.112 1.00 34.14 C ATOM 0 H PHE A 34 -23.001 -17.903 -8.989 1.00 31.32 H new ATOM 0 HA PHE A 34 -22.674 -19.842 -6.858 1.00 13.44 H new ATOM 0 HB2 PHE A 34 -20.827 -18.176 -8.565 1.00 4.51 H new ATOM 0 HB3 PHE A 34 -20.223 -18.989 -7.135 1.00 4.51 H new ATOM 0 HD1 PHE A 34 -19.954 -21.374 -7.078 1.00 35.31 H new ATOM 0 HD2 PHE A 34 -21.749 -19.515 -10.464 1.00 75.52 H new ATOM 0 HE1 PHE A 34 -19.742 -23.470 -8.338 1.00 51.04 H new ATOM 0 HE2 PHE A 34 -21.541 -21.612 -11.727 1.00 11.31 H new ATOM 0 HZ PHE A 34 -20.533 -23.594 -10.667 1.00 34.14 H new ATOM 539 N GLU A 35 -22.796 -16.706 -6.172 1.00 62.32 N ATOM 540 CA GLU A 35 -22.858 -15.767 -5.048 1.00 23.15 C ATOM 541 C GLU A 35 -23.967 -16.154 -4.074 1.00 22.21 C ATOM 542 O GLU A 35 -24.294 -15.399 -3.161 1.00 45.22 O ATOM 543 CB GLU A 35 -23.096 -14.326 -5.512 1.00 24.13 C ATOM 544 CG GLU A 35 -21.915 -13.677 -6.213 1.00 73.03 C ATOM 545 CD GLU A 35 -22.109 -12.184 -6.397 1.00 3.53 C ATOM 546 OE1 GLU A 35 -21.394 -11.401 -5.734 1.00 52.12 O ATOM 547 OE2 GLU A 35 -22.991 -11.784 -7.188 1.00 62.20 O ATOM 0 H GLU A 35 -23.167 -16.340 -7.049 1.00 62.32 H new ATOM 0 HA GLU A 35 -21.890 -15.820 -4.551 1.00 23.15 H new ATOM 0 HB2 GLU A 35 -23.952 -14.314 -6.187 1.00 24.13 H new ATOM 0 HB3 GLU A 35 -23.364 -13.720 -4.646 1.00 24.13 H new ATOM 0 HG2 GLU A 35 -21.008 -13.855 -5.635 1.00 73.03 H new ATOM 0 HG3 GLU A 35 -21.770 -14.146 -7.186 1.00 73.03 H new ATOM 554 N GLN A 36 -24.544 -17.326 -4.272 1.00 50.30 N ATOM 555 CA GLN A 36 -25.635 -17.786 -3.433 1.00 12.43 C ATOM 556 C GLN A 36 -25.122 -18.582 -2.240 1.00 1.44 C ATOM 557 O GLN A 36 -25.792 -18.670 -1.210 1.00 72.21 O ATOM 558 CB GLN A 36 -26.609 -18.622 -4.253 1.00 65.12 C ATOM 559 CG GLN A 36 -27.568 -17.783 -5.087 1.00 3.44 C ATOM 560 CD GLN A 36 -28.328 -18.589 -6.128 1.00 70.14 C ATOM 561 OE1 GLN A 36 -29.484 -18.296 -6.433 1.00 44.34 O ATOM 562 NE2 GLN A 36 -27.671 -19.574 -6.716 1.00 34.42 N ATOM 0 H GLN A 36 -24.274 -17.978 -5.009 1.00 50.30 H new ATOM 0 HA GLN A 36 -26.156 -16.910 -3.046 1.00 12.43 H new ATOM 0 HB2 GLN A 36 -26.045 -19.281 -4.913 1.00 65.12 H new ATOM 0 HB3 GLN A 36 -27.184 -19.260 -3.582 1.00 65.12 H new ATOM 0 HG2 GLN A 36 -28.282 -17.295 -4.424 1.00 3.44 H new ATOM 0 HG3 GLN A 36 -27.007 -16.994 -5.588 1.00 3.44 H new ATOM 0 HE21 GLN A 36 -26.714 -19.787 -6.436 1.00 34.42 H new ATOM 0 HE22 GLN A 36 -28.121 -20.121 -7.450 1.00 34.42 H new ATOM 571 N TRP A 37 -23.934 -19.159 -2.373 1.00 0.10 N ATOM 572 CA TRP A 37 -23.338 -19.926 -1.284 1.00 1.01 C ATOM 573 C TRP A 37 -22.086 -19.232 -0.770 1.00 22.41 C ATOM 574 O TRP A 37 -21.300 -19.815 -0.021 1.00 34.41 O ATOM 575 CB TRP A 37 -23.013 -21.359 -1.729 1.00 24.21 C ATOM 576 CG TRP A 37 -24.234 -22.143 -2.114 1.00 22.14 C ATOM 577 CD1 TRP A 37 -24.974 -22.951 -1.301 1.00 5.11 C ATOM 578 CD2 TRP A 37 -24.859 -22.194 -3.401 1.00 61.35 C ATOM 579 NE1 TRP A 37 -26.027 -23.487 -1.997 1.00 34.31 N ATOM 580 CE2 TRP A 37 -25.979 -23.041 -3.288 1.00 72.32 C ATOM 581 CE3 TRP A 37 -24.586 -21.603 -4.634 1.00 22.25 C ATOM 582 CZ2 TRP A 37 -26.822 -23.311 -4.361 1.00 43.33 C ATOM 583 CZ3 TRP A 37 -25.424 -21.875 -5.698 1.00 51.34 C ATOM 584 CH2 TRP A 37 -26.530 -22.721 -5.556 1.00 43.43 C ATOM 0 H TRP A 37 -23.366 -19.112 -3.219 1.00 0.10 H new ATOM 0 HA TRP A 37 -24.065 -19.982 -0.474 1.00 1.01 H new ATOM 0 HB2 TRP A 37 -22.328 -21.324 -2.576 1.00 24.21 H new ATOM 0 HB3 TRP A 37 -22.495 -21.876 -0.921 1.00 24.21 H new ATOM 0 HD1 TRP A 37 -24.761 -23.141 -0.259 1.00 5.11 H new ATOM 0 HE1 TRP A 37 -26.732 -24.117 -1.613 1.00 34.31 H new ATOM 0 HE3 TRP A 37 -23.737 -20.946 -4.755 1.00 22.25 H new ATOM 0 HZ2 TRP A 37 -27.676 -23.963 -4.252 1.00 43.33 H new ATOM 0 HZ3 TRP A 37 -25.222 -21.426 -6.659 1.00 51.34 H new ATOM 0 HH2 TRP A 37 -27.165 -22.910 -6.409 1.00 43.43 H new ATOM 595 N GLY A 38 -21.913 -17.978 -1.164 1.00 72.14 N ATOM 596 CA GLY A 38 -20.773 -17.213 -0.694 1.00 41.51 C ATOM 597 C GLY A 38 -20.488 -15.987 -1.536 1.00 72.31 C ATOM 598 O GLY A 38 -21.223 -15.683 -2.473 1.00 4.23 O ATOM 0 H GLY A 38 -22.537 -17.478 -1.797 1.00 72.14 H new ATOM 0 HA2 GLY A 38 -20.951 -16.905 0.336 1.00 41.51 H new ATOM 0 HA3 GLY A 38 -19.891 -17.854 -0.687 1.00 41.51 H new ATOM 602 N THR A 39 -19.415 -15.288 -1.197 1.00 20.13 N ATOM 603 CA THR A 39 -19.025 -14.075 -1.896 1.00 13.32 C ATOM 604 C THR A 39 -17.914 -14.354 -2.906 1.00 51.53 C ATOM 605 O THR A 39 -16.859 -14.863 -2.550 1.00 63.21 O ATOM 606 CB THR A 39 -18.542 -13.013 -0.887 1.00 13.32 C ATOM 607 OG1 THR A 39 -19.633 -12.586 -0.061 1.00 31.33 O ATOM 608 CG2 THR A 39 -17.932 -11.813 -1.595 1.00 64.13 C ATOM 0 H THR A 39 -18.792 -15.546 -0.431 1.00 20.13 H new ATOM 0 HA THR A 39 -19.898 -13.703 -2.432 1.00 13.32 H new ATOM 0 HB THR A 39 -17.772 -13.469 -0.265 1.00 13.32 H new ATOM 0 HG1 THR A 39 -19.316 -11.913 0.577 1.00 31.33 H new ATOM 0 HG21 THR A 39 -17.602 -11.083 -0.856 1.00 64.13 H new ATOM 0 HG22 THR A 39 -17.079 -12.137 -2.191 1.00 64.13 H new ATOM 0 HG23 THR A 39 -18.678 -11.357 -2.247 1.00 64.13 H new ATOM 616 N LEU A 40 -18.152 -14.021 -4.169 1.00 53.24 N ATOM 617 CA LEU A 40 -17.131 -14.183 -5.189 1.00 22.53 C ATOM 618 C LEU A 40 -16.359 -12.887 -5.361 1.00 61.13 C ATOM 619 O LEU A 40 -16.913 -11.881 -5.805 1.00 1.32 O ATOM 620 CB LEU A 40 -17.762 -14.586 -6.518 1.00 2.01 C ATOM 621 CG LEU A 40 -18.729 -15.756 -6.428 1.00 2.31 C ATOM 622 CD1 LEU A 40 -19.539 -15.880 -7.701 1.00 11.53 C ATOM 623 CD2 LEU A 40 -17.974 -17.037 -6.135 1.00 21.45 C ATOM 0 H LEU A 40 -19.036 -13.641 -4.507 1.00 53.24 H new ATOM 0 HA LEU A 40 -16.448 -14.971 -4.872 1.00 22.53 H new ATOM 0 HB2 LEU A 40 -18.289 -13.726 -6.931 1.00 2.01 H new ATOM 0 HB3 LEU A 40 -16.968 -14.840 -7.220 1.00 2.01 H new ATOM 0 HG LEU A 40 -19.424 -15.573 -5.608 1.00 2.31 H new ATOM 0 HD11 LEU A 40 -20.224 -16.723 -7.615 1.00 11.53 H new ATOM 0 HD12 LEU A 40 -20.108 -14.964 -7.861 1.00 11.53 H new ATOM 0 HD13 LEU A 40 -18.868 -16.042 -8.545 1.00 11.53 H new ATOM 0 HD21 LEU A 40 -18.677 -17.868 -6.073 1.00 21.45 H new ATOM 0 HD22 LEU A 40 -17.257 -17.227 -6.934 1.00 21.45 H new ATOM 0 HD23 LEU A 40 -17.444 -16.938 -5.188 1.00 21.45 H new ATOM 635 N THR A 41 -15.093 -12.909 -4.987 1.00 0.24 N ATOM 636 CA THR A 41 -14.234 -11.754 -5.158 1.00 55.04 C ATOM 637 C THR A 41 -13.742 -11.698 -6.593 1.00 30.22 C ATOM 638 O THR A 41 -13.497 -10.626 -7.145 1.00 22.34 O ATOM 639 CB THR A 41 -13.024 -11.808 -4.206 1.00 4.30 C ATOM 640 OG1 THR A 41 -12.217 -12.958 -4.504 1.00 62.12 O ATOM 641 CG2 THR A 41 -13.480 -11.872 -2.755 1.00 5.41 C ATOM 0 H THR A 41 -14.637 -13.716 -4.562 1.00 0.24 H new ATOM 0 HA THR A 41 -14.814 -10.862 -4.923 1.00 55.04 H new ATOM 0 HB THR A 41 -12.437 -10.901 -4.349 1.00 4.30 H new ATOM 0 HG1 THR A 41 -11.631 -12.758 -5.264 1.00 62.12 H new ATOM 0 HG21 THR A 41 -12.609 -11.909 -2.101 1.00 5.41 H new ATOM 0 HG22 THR A 41 -14.072 -10.987 -2.520 1.00 5.41 H new ATOM 0 HG23 THR A 41 -14.086 -12.765 -2.603 1.00 5.41 H new ATOM 649 N ASP A 42 -13.619 -12.876 -7.196 1.00 44.33 N ATOM 650 CA ASP A 42 -13.123 -12.996 -8.555 1.00 34.10 C ATOM 651 C ASP A 42 -13.947 -14.021 -9.311 1.00 61.34 C ATOM 652 O ASP A 42 -13.623 -15.211 -9.326 1.00 2.30 O ATOM 653 CB ASP A 42 -11.645 -13.397 -8.576 1.00 60.22 C ATOM 654 CG ASP A 42 -10.748 -12.375 -7.907 1.00 23.31 C ATOM 655 OD1 ASP A 42 -10.344 -11.405 -8.580 1.00 52.23 O ATOM 656 OD2 ASP A 42 -10.435 -12.545 -6.706 1.00 22.14 O ATOM 0 H ASP A 42 -13.859 -13.765 -6.758 1.00 44.33 H new ATOM 0 HA ASP A 42 -13.214 -12.023 -9.038 1.00 34.10 H new ATOM 0 HB2 ASP A 42 -11.527 -14.359 -8.077 1.00 60.22 H new ATOM 0 HB3 ASP A 42 -11.325 -13.533 -9.609 1.00 60.22 H new ATOM 661 N CYS A 43 -15.036 -13.561 -9.892 1.00 33.11 N ATOM 662 CA CYS A 43 -15.924 -14.416 -10.658 1.00 34.34 C ATOM 663 C CYS A 43 -15.850 -14.059 -12.132 1.00 64.44 C ATOM 664 O CYS A 43 -16.182 -12.938 -12.525 1.00 55.40 O ATOM 665 CB CYS A 43 -17.347 -14.261 -10.137 1.00 33.43 C ATOM 666 SG CYS A 43 -17.757 -12.572 -9.638 1.00 51.44 S ATOM 0 H CYS A 43 -15.331 -12.586 -9.848 1.00 33.11 H new ATOM 0 HA CYS A 43 -15.617 -15.456 -10.545 1.00 34.34 H new ATOM 0 HB2 CYS A 43 -18.045 -14.582 -10.910 1.00 33.43 H new ATOM 0 HB3 CYS A 43 -17.487 -14.927 -9.285 1.00 33.43 H new ATOM 0 HG CYS A 43 -18.041 -11.865 -10.691 1.00 51.44 H new ATOM 672 N VAL A 44 -15.412 -15.009 -12.941 1.00 3.31 N ATOM 673 CA VAL A 44 -15.159 -14.745 -14.346 1.00 32.52 C ATOM 674 C VAL A 44 -15.169 -16.041 -15.155 1.00 55.11 C ATOM 675 O VAL A 44 -14.668 -17.069 -14.708 1.00 41.35 O ATOM 676 CB VAL A 44 -13.805 -14.016 -14.521 1.00 44.30 C ATOM 677 CG1 VAL A 44 -12.662 -14.855 -13.962 1.00 50.12 C ATOM 678 CG2 VAL A 44 -13.555 -13.658 -15.981 1.00 52.44 C ATOM 0 H VAL A 44 -15.225 -15.968 -12.649 1.00 3.31 H new ATOM 0 HA VAL A 44 -15.956 -14.103 -14.720 1.00 32.52 H new ATOM 0 HB VAL A 44 -13.851 -13.085 -13.955 1.00 44.30 H new ATOM 0 HG11 VAL A 44 -11.720 -14.323 -14.096 1.00 50.12 H new ATOM 0 HG12 VAL A 44 -12.829 -15.036 -12.900 1.00 50.12 H new ATOM 0 HG13 VAL A 44 -12.618 -15.808 -14.490 1.00 50.12 H new ATOM 0 HG21 VAL A 44 -12.596 -13.147 -16.071 1.00 52.44 H new ATOM 0 HG22 VAL A 44 -13.539 -14.568 -16.581 1.00 52.44 H new ATOM 0 HG23 VAL A 44 -14.350 -13.003 -16.336 1.00 52.44 H new ATOM 688 N VAL A 45 -15.760 -15.991 -16.334 1.00 72.24 N ATOM 689 CA VAL A 45 -15.811 -17.146 -17.212 1.00 50.04 C ATOM 690 C VAL A 45 -14.769 -17.014 -18.309 1.00 21.11 C ATOM 691 O VAL A 45 -14.238 -15.930 -18.542 1.00 75.52 O ATOM 692 CB VAL A 45 -17.214 -17.327 -17.831 1.00 64.31 C ATOM 693 CG1 VAL A 45 -18.247 -17.463 -16.732 1.00 2.41 C ATOM 694 CG2 VAL A 45 -17.568 -16.176 -18.760 1.00 45.11 C ATOM 0 H VAL A 45 -16.214 -15.158 -16.708 1.00 72.24 H new ATOM 0 HA VAL A 45 -15.594 -18.030 -16.613 1.00 50.04 H new ATOM 0 HB VAL A 45 -17.207 -18.238 -18.430 1.00 64.31 H new ATOM 0 HG11 VAL A 45 -19.235 -17.590 -17.175 1.00 2.41 H new ATOM 0 HG12 VAL A 45 -18.011 -18.331 -16.116 1.00 2.41 H new ATOM 0 HG13 VAL A 45 -18.240 -16.566 -16.113 1.00 2.41 H new ATOM 0 HG21 VAL A 45 -18.562 -16.338 -19.177 1.00 45.11 H new ATOM 0 HG22 VAL A 45 -17.557 -15.240 -18.201 1.00 45.11 H new ATOM 0 HG23 VAL A 45 -16.839 -16.124 -19.569 1.00 45.11 H new ATOM 704 N MET A 46 -14.462 -18.106 -18.980 1.00 24.13 N ATOM 705 CA MET A 46 -13.478 -18.066 -20.045 1.00 74.42 C ATOM 706 C MET A 46 -14.161 -18.026 -21.393 1.00 73.13 C ATOM 707 O MET A 46 -15.204 -18.651 -21.586 1.00 34.23 O ATOM 708 CB MET A 46 -12.534 -19.263 -19.966 1.00 53.44 C ATOM 709 CG MET A 46 -11.652 -19.245 -18.734 1.00 54.23 C ATOM 710 SD MET A 46 -10.683 -17.734 -18.613 1.00 73.55 S ATOM 711 CE MET A 46 -9.844 -18.019 -17.063 1.00 74.03 C ATOM 0 H MET A 46 -14.874 -19.023 -18.810 1.00 24.13 H new ATOM 0 HA MET A 46 -12.887 -17.159 -19.923 1.00 74.42 H new ATOM 0 HB2 MET A 46 -13.121 -20.182 -19.972 1.00 53.44 H new ATOM 0 HB3 MET A 46 -11.905 -19.281 -20.856 1.00 53.44 H new ATOM 0 HG2 MET A 46 -12.272 -19.349 -17.844 1.00 54.23 H new ATOM 0 HG3 MET A 46 -10.981 -20.104 -18.757 1.00 54.23 H new ATOM 0 HE1 MET A 46 -9.048 -17.285 -16.940 1.00 74.03 H new ATOM 0 HE2 MET A 46 -10.555 -17.924 -16.242 1.00 74.03 H new ATOM 0 HE3 MET A 46 -9.417 -19.022 -17.059 1.00 74.03 H new ATOM 856 N ARG A 55 -16.639 -20.064 -23.418 1.00 52.31 N ATOM 857 CA ARG A 55 -15.920 -21.244 -23.862 1.00 24.21 C ATOM 858 C ARG A 55 -16.637 -22.516 -23.424 1.00 64.22 C ATOM 859 O ARG A 55 -16.547 -23.548 -24.085 1.00 35.05 O ATOM 860 CB ARG A 55 -14.500 -21.213 -23.297 1.00 14.14 C ATOM 861 CG ARG A 55 -13.428 -21.596 -24.299 1.00 2.21 C ATOM 862 CD ARG A 55 -12.051 -21.574 -23.659 1.00 44.42 C ATOM 863 NE ARG A 55 -11.080 -22.370 -24.403 1.00 60.32 N ATOM 864 CZ ARG A 55 -9.770 -22.357 -24.166 1.00 74.23 C ATOM 865 NH1 ARG A 55 -9.246 -21.466 -23.327 1.00 11.21 N ATOM 866 NH2 ARG A 55 -8.980 -23.215 -24.791 1.00 35.31 N ATOM 0 HA ARG A 55 -15.878 -21.243 -24.951 1.00 24.21 H new ATOM 0 HB2 ARG A 55 -14.291 -20.211 -22.922 1.00 14.14 H new ATOM 0 HB3 ARG A 55 -14.444 -21.890 -22.445 1.00 14.14 H new ATOM 0 HG2 ARG A 55 -13.633 -22.591 -24.694 1.00 2.21 H new ATOM 0 HG3 ARG A 55 -13.452 -20.907 -25.143 1.00 2.21 H new ATOM 0 HD2 ARG A 55 -11.700 -20.544 -23.594 1.00 44.42 H new ATOM 0 HD3 ARG A 55 -12.121 -21.952 -22.639 1.00 44.42 H new ATOM 0 HE ARG A 55 -11.426 -22.973 -25.150 1.00 60.32 H new ATOM 0 HH11 ARG A 55 -9.849 -20.788 -22.861 1.00 11.21 H new ATOM 0 HH12 ARG A 55 -8.242 -21.462 -23.150 1.00 11.21 H new ATOM 0 HH21 ARG A 55 -9.375 -23.884 -25.452 1.00 35.31 H new ATOM 0 HH22 ARG A 55 -7.976 -23.208 -24.612 1.00 35.31 H new ATOM 880 N GLY A 56 -17.373 -22.424 -22.325 1.00 22.42 N ATOM 881 CA GLY A 56 -18.057 -23.586 -21.792 1.00 20.23 C ATOM 882 C GLY A 56 -17.619 -23.907 -20.377 1.00 52.32 C ATOM 883 O GLY A 56 -17.918 -24.985 -19.855 1.00 31.22 O ATOM 0 H GLY A 56 -17.509 -21.565 -21.792 1.00 22.42 H new ATOM 0 HA2 GLY A 56 -19.133 -23.411 -21.807 1.00 20.23 H new ATOM 0 HA3 GLY A 56 -17.865 -24.445 -22.434 1.00 20.23 H new ATOM 887 N PHE A 57 -16.918 -22.962 -19.754 1.00 40.33 N ATOM 888 CA PHE A 57 -16.451 -23.120 -18.381 1.00 32.24 C ATOM 889 C PHE A 57 -16.003 -21.767 -17.823 1.00 22.33 C ATOM 890 O PHE A 57 -15.825 -20.805 -18.578 1.00 14.22 O ATOM 891 CB PHE A 57 -15.305 -24.140 -18.307 1.00 72.11 C ATOM 892 CG PHE A 57 -13.987 -23.623 -18.802 1.00 11.11 C ATOM 893 CD1 PHE A 57 -12.960 -23.371 -17.912 1.00 60.13 C ATOM 894 CD2 PHE A 57 -13.778 -23.381 -20.146 1.00 31.45 C ATOM 895 CE1 PHE A 57 -11.748 -22.885 -18.354 1.00 15.04 C ATOM 896 CE2 PHE A 57 -12.568 -22.897 -20.596 1.00 65.05 C ATOM 897 CZ PHE A 57 -11.552 -22.647 -19.699 1.00 40.33 C ATOM 0 H PHE A 57 -16.660 -22.073 -20.183 1.00 40.33 H new ATOM 0 HA PHE A 57 -17.275 -23.496 -17.775 1.00 32.24 H new ATOM 0 HB2 PHE A 57 -15.190 -24.465 -17.273 1.00 72.11 H new ATOM 0 HB3 PHE A 57 -15.579 -25.020 -18.889 1.00 72.11 H new ATOM 0 HD1 PHE A 57 -13.109 -23.557 -16.859 1.00 60.13 H new ATOM 0 HD2 PHE A 57 -14.572 -23.573 -20.853 1.00 31.45 H new ATOM 0 HE1 PHE A 57 -10.953 -22.691 -17.649 1.00 15.04 H new ATOM 0 HE2 PHE A 57 -12.417 -22.714 -21.650 1.00 65.05 H new ATOM 0 HZ PHE A 57 -10.604 -22.265 -20.048 1.00 40.33 H new ATOM 907 N GLY A 58 -15.820 -21.695 -16.512 1.00 72.43 N ATOM 908 CA GLY A 58 -15.434 -20.449 -15.882 1.00 35.31 C ATOM 909 C GLY A 58 -14.828 -20.657 -14.506 1.00 73.32 C ATOM 910 O GLY A 58 -14.606 -21.791 -14.085 1.00 1.22 O ATOM 0 H GLY A 58 -15.933 -22.481 -15.871 1.00 72.43 H new ATOM 0 HA2 GLY A 58 -14.715 -19.932 -16.518 1.00 35.31 H new ATOM 0 HA3 GLY A 58 -16.308 -19.803 -15.797 1.00 35.31 H new ATOM 914 N PHE A 59 -14.561 -19.562 -13.809 1.00 64.22 N ATOM 915 CA PHE A 59 -13.965 -19.616 -12.483 1.00 71.51 C ATOM 916 C PHE A 59 -14.720 -18.729 -11.505 1.00 71.40 C ATOM 917 O PHE A 59 -15.293 -17.704 -11.880 1.00 21.54 O ATOM 918 CB PHE A 59 -12.506 -19.165 -12.524 1.00 4.23 C ATOM 919 CG PHE A 59 -11.580 -20.115 -13.228 1.00 44.51 C ATOM 920 CD1 PHE A 59 -10.968 -21.141 -12.531 1.00 43.30 C ATOM 921 CD2 PHE A 59 -11.308 -19.970 -14.577 1.00 51.35 C ATOM 922 CE1 PHE A 59 -10.101 -22.006 -13.165 1.00 12.54 C ATOM 923 CE2 PHE A 59 -10.444 -20.835 -15.219 1.00 10.50 C ATOM 924 CZ PHE A 59 -9.838 -21.853 -14.513 1.00 12.21 C ATOM 0 H PHE A 59 -14.750 -18.617 -14.144 1.00 64.22 H new ATOM 0 HA PHE A 59 -14.020 -20.652 -12.149 1.00 71.51 H new ATOM 0 HB2 PHE A 59 -12.453 -18.194 -13.016 1.00 4.23 H new ATOM 0 HB3 PHE A 59 -12.154 -19.024 -11.502 1.00 4.23 H new ATOM 0 HD1 PHE A 59 -11.172 -21.266 -11.478 1.00 43.30 H new ATOM 0 HD2 PHE A 59 -11.776 -19.172 -15.134 1.00 51.35 H new ATOM 0 HE1 PHE A 59 -9.628 -22.802 -12.609 1.00 12.54 H new ATOM 0 HE2 PHE A 59 -10.243 -20.714 -16.273 1.00 10.50 H new ATOM 0 HZ PHE A 59 -9.160 -22.529 -15.012 1.00 12.21 H new ATOM 934 N VAL A 60 -14.698 -19.128 -10.246 1.00 13.21 N ATOM 935 CA VAL A 60 -15.306 -18.357 -9.170 1.00 62.25 C ATOM 936 C VAL A 60 -14.467 -18.432 -7.911 1.00 31.44 C ATOM 937 O VAL A 60 -14.358 -19.478 -7.282 1.00 21.12 O ATOM 938 CB VAL A 60 -16.747 -18.791 -8.866 1.00 51.15 C ATOM 939 CG1 VAL A 60 -17.708 -17.938 -9.659 1.00 13.03 C ATOM 940 CG2 VAL A 60 -16.960 -20.261 -9.163 1.00 24.12 C ATOM 0 H VAL A 60 -14.259 -19.995 -9.938 1.00 13.21 H new ATOM 0 HA VAL A 60 -15.345 -17.325 -9.518 1.00 62.25 H new ATOM 0 HB VAL A 60 -16.934 -18.649 -7.802 1.00 51.15 H new ATOM 0 HG11 VAL A 60 -18.731 -18.246 -9.443 1.00 13.03 H new ATOM 0 HG12 VAL A 60 -17.578 -16.891 -9.383 1.00 13.03 H new ATOM 0 HG13 VAL A 60 -17.509 -18.060 -10.724 1.00 13.03 H new ATOM 0 HG21 VAL A 60 -17.991 -20.532 -8.936 1.00 24.12 H new ATOM 0 HG22 VAL A 60 -16.758 -20.452 -10.217 1.00 24.12 H new ATOM 0 HG23 VAL A 60 -16.284 -20.858 -8.550 1.00 24.12 H new ATOM 950 N THR A 61 -13.858 -17.316 -7.564 1.00 23.24 N ATOM 951 CA THR A 61 -13.009 -17.249 -6.394 1.00 31.31 C ATOM 952 C THR A 61 -13.786 -16.651 -5.235 1.00 34.15 C ATOM 953 O THR A 61 -14.112 -15.463 -5.246 1.00 10.13 O ATOM 954 CB THR A 61 -11.755 -16.398 -6.668 1.00 60.43 C ATOM 955 OG1 THR A 61 -11.188 -16.767 -7.934 1.00 41.44 O ATOM 956 CG2 THR A 61 -10.716 -16.583 -5.571 1.00 15.31 C ATOM 0 H THR A 61 -13.937 -16.439 -8.079 1.00 23.24 H new ATOM 0 HA THR A 61 -12.690 -18.261 -6.143 1.00 31.31 H new ATOM 0 HB THR A 61 -12.052 -15.349 -6.687 1.00 60.43 H new ATOM 0 HG1 THR A 61 -11.755 -16.428 -8.658 1.00 41.44 H new ATOM 0 HG21 THR A 61 -9.842 -15.970 -5.791 1.00 15.31 H new ATOM 0 HG22 THR A 61 -11.140 -16.280 -4.614 1.00 15.31 H new ATOM 0 HG23 THR A 61 -10.421 -17.631 -5.522 1.00 15.31 H new ATOM 964 N TYR A 62 -14.111 -17.481 -4.261 1.00 51.02 N ATOM 965 CA TYR A 62 -14.852 -17.030 -3.098 1.00 54.01 C ATOM 966 C TYR A 62 -13.952 -16.241 -2.158 1.00 72.32 C ATOM 967 O TYR A 62 -12.731 -16.200 -2.334 1.00 22.32 O ATOM 968 CB TYR A 62 -15.472 -18.217 -2.361 1.00 64.03 C ATOM 969 CG TYR A 62 -16.696 -18.796 -3.039 1.00 74.40 C ATOM 970 CD1 TYR A 62 -17.966 -18.324 -2.732 1.00 15.22 C ATOM 971 CD2 TYR A 62 -16.587 -19.822 -3.966 1.00 0.14 C ATOM 972 CE1 TYR A 62 -19.090 -18.859 -3.330 1.00 22.13 C ATOM 973 CE2 TYR A 62 -17.709 -20.357 -4.570 1.00 43.42 C ATOM 974 CZ TYR A 62 -18.956 -19.874 -4.246 1.00 74.52 C ATOM 975 OH TYR A 62 -20.076 -20.402 -4.842 1.00 73.25 O ATOM 0 H TYR A 62 -13.873 -18.473 -4.252 1.00 51.02 H new ATOM 0 HA TYR A 62 -15.653 -16.375 -3.441 1.00 54.01 H new ATOM 0 HB2 TYR A 62 -14.721 -19.001 -2.260 1.00 64.03 H new ATOM 0 HB3 TYR A 62 -15.743 -17.903 -1.353 1.00 64.03 H new ATOM 0 HD1 TYR A 62 -18.076 -17.525 -2.014 1.00 15.22 H new ATOM 0 HD2 TYR A 62 -15.611 -20.208 -4.220 1.00 0.14 H new ATOM 0 HE1 TYR A 62 -20.070 -18.481 -3.079 1.00 22.13 H new ATOM 0 HE2 TYR A 62 -17.607 -21.152 -5.294 1.00 43.42 H new ATOM 0 HH TYR A 62 -20.823 -19.774 -4.749 1.00 73.25 H new ATOM 985 N ALA A 63 -14.558 -15.626 -1.156 1.00 10.24 N ATOM 986 CA ALA A 63 -13.829 -14.821 -0.193 1.00 24.14 C ATOM 987 C ALA A 63 -13.024 -15.722 0.728 1.00 12.25 C ATOM 988 O ALA A 63 -11.976 -15.337 1.244 1.00 63.24 O ATOM 989 CB ALA A 63 -14.794 -13.959 0.606 1.00 13.50 C ATOM 0 H ALA A 63 -15.563 -15.671 -0.989 1.00 10.24 H new ATOM 0 HA ALA A 63 -13.141 -14.163 -0.724 1.00 24.14 H new ATOM 0 HB1 ALA A 63 -14.236 -13.359 1.325 1.00 13.50 H new ATOM 0 HB2 ALA A 63 -15.339 -13.300 -0.070 1.00 13.50 H new ATOM 0 HB3 ALA A 63 -15.499 -14.599 1.136 1.00 13.50 H new ATOM 995 N THR A 64 -13.525 -16.929 0.917 1.00 42.25 N ATOM 996 CA THR A 64 -12.851 -17.925 1.724 1.00 11.24 C ATOM 997 C THR A 64 -13.208 -19.321 1.226 1.00 61.53 C ATOM 998 O THR A 64 -14.248 -19.514 0.590 1.00 32.34 O ATOM 999 CB THR A 64 -13.221 -17.780 3.220 1.00 24.32 C ATOM 1000 OG1 THR A 64 -12.701 -18.875 3.982 1.00 62.00 O ATOM 1001 CG2 THR A 64 -14.726 -17.699 3.405 1.00 24.45 C ATOM 0 H THR A 64 -14.408 -17.244 0.516 1.00 42.25 H new ATOM 0 HA THR A 64 -11.776 -17.771 1.629 1.00 11.24 H new ATOM 0 HB THR A 64 -12.773 -16.853 3.580 1.00 24.32 H new ATOM 0 HG1 THR A 64 -12.990 -18.791 4.915 1.00 62.00 H new ATOM 0 HG21 THR A 64 -14.957 -17.598 4.465 1.00 24.45 H new ATOM 0 HG22 THR A 64 -15.113 -16.835 2.865 1.00 24.45 H new ATOM 0 HG23 THR A 64 -15.190 -18.606 3.018 1.00 24.45 H new ATOM 1009 N VAL A 65 -12.341 -20.288 1.504 1.00 2.14 N ATOM 1010 CA VAL A 65 -12.574 -21.670 1.098 1.00 13.10 C ATOM 1011 C VAL A 65 -13.831 -22.232 1.758 1.00 42.01 C ATOM 1012 O VAL A 65 -14.423 -23.195 1.272 1.00 45.34 O ATOM 1013 CB VAL A 65 -11.368 -22.570 1.432 1.00 44.15 C ATOM 1014 CG1 VAL A 65 -10.153 -22.142 0.626 1.00 41.55 C ATOM 1015 CG2 VAL A 65 -11.058 -22.540 2.923 1.00 34.35 C ATOM 0 H VAL A 65 -11.468 -20.140 2.010 1.00 2.14 H new ATOM 0 HA VAL A 65 -12.713 -21.664 0.017 1.00 13.10 H new ATOM 0 HB VAL A 65 -11.624 -23.595 1.164 1.00 44.15 H new ATOM 0 HG11 VAL A 65 -9.308 -22.786 0.871 1.00 41.55 H new ATOM 0 HG12 VAL A 65 -10.375 -22.224 -0.438 1.00 41.55 H new ATOM 0 HG13 VAL A 65 -9.903 -21.108 0.866 1.00 41.55 H new ATOM 0 HG21 VAL A 65 -10.203 -23.184 3.130 1.00 34.35 H new ATOM 0 HG22 VAL A 65 -10.825 -21.519 3.226 1.00 34.35 H new ATOM 0 HG23 VAL A 65 -11.924 -22.896 3.482 1.00 34.35 H new ATOM 1025 N GLU A 66 -14.237 -21.601 2.856 1.00 12.22 N ATOM 1026 CA GLU A 66 -15.451 -21.974 3.572 1.00 2.41 C ATOM 1027 C GLU A 66 -16.662 -21.883 2.650 1.00 62.14 C ATOM 1028 O GLU A 66 -17.575 -22.706 2.715 1.00 11.23 O ATOM 1029 CB GLU A 66 -15.639 -21.045 4.771 1.00 13.42 C ATOM 1030 CG GLU A 66 -14.391 -20.910 5.629 1.00 31.30 C ATOM 1031 CD GLU A 66 -14.508 -19.817 6.667 1.00 44.43 C ATOM 1032 OE1 GLU A 66 -13.926 -18.733 6.455 1.00 4.23 O ATOM 1033 OE2 GLU A 66 -15.177 -20.033 7.698 1.00 23.32 O ATOM 0 H GLU A 66 -13.734 -20.818 3.273 1.00 12.22 H new ATOM 0 HA GLU A 66 -15.357 -23.003 3.919 1.00 2.41 H new ATOM 0 HB2 GLU A 66 -15.935 -20.058 4.414 1.00 13.42 H new ATOM 0 HB3 GLU A 66 -16.456 -21.419 5.387 1.00 13.42 H new ATOM 0 HG2 GLU A 66 -14.195 -21.859 6.128 1.00 31.30 H new ATOM 0 HG3 GLU A 66 -13.535 -20.704 4.987 1.00 31.30 H new ATOM 1040 N GLU A 67 -16.648 -20.884 1.779 1.00 14.34 N ATOM 1041 CA GLU A 67 -17.739 -20.670 0.842 1.00 61.32 C ATOM 1042 C GLU A 67 -17.618 -21.633 -0.333 1.00 32.35 C ATOM 1043 O GLU A 67 -18.619 -22.113 -0.866 1.00 35.52 O ATOM 1044 CB GLU A 67 -17.725 -19.233 0.342 1.00 71.13 C ATOM 1045 CG GLU A 67 -17.500 -18.216 1.441 1.00 74.53 C ATOM 1046 CD GLU A 67 -17.606 -16.790 0.949 1.00 73.21 C ATOM 1047 OE1 GLU A 67 -16.807 -16.402 0.083 1.00 52.43 O ATOM 1048 OE2 GLU A 67 -18.485 -16.050 1.435 1.00 63.21 O ATOM 0 H GLU A 67 -15.889 -20.207 1.703 1.00 14.34 H new ATOM 0 HA GLU A 67 -18.683 -20.856 1.354 1.00 61.32 H new ATOM 0 HB2 GLU A 67 -16.942 -19.125 -0.409 1.00 71.13 H new ATOM 0 HB3 GLU A 67 -18.672 -19.019 -0.153 1.00 71.13 H new ATOM 0 HG2 GLU A 67 -18.230 -18.377 2.234 1.00 74.53 H new ATOM 0 HG3 GLU A 67 -16.514 -18.372 1.879 1.00 74.53 H new ATOM 1055 N VAL A 68 -16.377 -21.911 -0.723 1.00 71.34 N ATOM 1056 CA VAL A 68 -16.095 -22.891 -1.768 1.00 41.10 C ATOM 1057 C VAL A 68 -16.699 -24.240 -1.410 1.00 5.33 C ATOM 1058 O VAL A 68 -17.384 -24.861 -2.224 1.00 22.54 O ATOM 1059 CB VAL A 68 -14.574 -23.053 -2.003 1.00 63.25 C ATOM 1060 CG1 VAL A 68 -14.266 -24.309 -2.807 1.00 62.30 C ATOM 1061 CG2 VAL A 68 -14.022 -21.836 -2.720 1.00 64.21 C ATOM 0 H VAL A 68 -15.547 -21.469 -0.329 1.00 71.34 H new ATOM 0 HA VAL A 68 -16.547 -22.522 -2.689 1.00 41.10 H new ATOM 0 HB VAL A 68 -14.096 -23.148 -1.028 1.00 63.25 H new ATOM 0 HG11 VAL A 68 -13.189 -24.392 -2.954 1.00 62.30 H new ATOM 0 HG12 VAL A 68 -14.627 -25.184 -2.267 1.00 62.30 H new ATOM 0 HG13 VAL A 68 -14.761 -24.251 -3.776 1.00 62.30 H new ATOM 0 HG21 VAL A 68 -12.951 -21.962 -2.879 1.00 64.21 H new ATOM 0 HG22 VAL A 68 -14.521 -21.723 -3.682 1.00 64.21 H new ATOM 0 HG23 VAL A 68 -14.196 -20.947 -2.114 1.00 64.21 H new ATOM 1071 N ASP A 69 -16.456 -24.678 -0.181 1.00 14.22 N ATOM 1072 CA ASP A 69 -17.000 -25.941 0.296 1.00 35.53 C ATOM 1073 C ASP A 69 -18.520 -25.930 0.251 1.00 63.11 C ATOM 1074 O ASP A 69 -19.135 -26.924 -0.122 1.00 11.32 O ATOM 1075 CB ASP A 69 -16.515 -26.255 1.714 1.00 52.33 C ATOM 1076 CG ASP A 69 -15.157 -26.926 1.729 1.00 73.13 C ATOM 1077 OD1 ASP A 69 -14.164 -26.268 2.098 1.00 53.14 O ATOM 1078 OD2 ASP A 69 -15.077 -28.121 1.362 1.00 72.53 O ATOM 0 H ASP A 69 -15.887 -24.178 0.502 1.00 14.22 H new ATOM 0 HA ASP A 69 -16.638 -26.725 -0.370 1.00 35.53 H new ATOM 0 HB2 ASP A 69 -16.466 -25.331 2.290 1.00 52.33 H new ATOM 0 HB3 ASP A 69 -17.241 -26.901 2.208 1.00 52.33 H new ATOM 1083 N ALA A 70 -19.128 -24.800 0.592 1.00 53.41 N ATOM 1084 CA ALA A 70 -20.580 -24.694 0.582 1.00 65.54 C ATOM 1085 C ALA A 70 -21.123 -24.877 -0.831 1.00 50.15 C ATOM 1086 O ALA A 70 -22.146 -25.531 -1.032 1.00 75.14 O ATOM 1087 CB ALA A 70 -21.028 -23.361 1.157 1.00 24.01 C ATOM 0 H ALA A 70 -18.641 -23.950 0.877 1.00 53.41 H new ATOM 0 HA ALA A 70 -20.982 -25.489 1.210 1.00 65.54 H new ATOM 0 HB1 ALA A 70 -22.116 -23.304 1.139 1.00 24.01 H new ATOM 0 HB2 ALA A 70 -20.677 -23.272 2.185 1.00 24.01 H new ATOM 0 HB3 ALA A 70 -20.613 -22.549 0.560 1.00 24.01 H new ATOM 1093 N ALA A 71 -20.415 -24.321 -1.808 1.00 75.54 N ATOM 1094 CA ALA A 71 -20.794 -24.473 -3.204 1.00 13.40 C ATOM 1095 C ALA A 71 -20.594 -25.913 -3.654 1.00 1.50 C ATOM 1096 O ALA A 71 -21.334 -26.426 -4.489 1.00 60.53 O ATOM 1097 CB ALA A 71 -19.991 -23.530 -4.081 1.00 15.02 C ATOM 0 H ALA A 71 -19.576 -23.761 -1.657 1.00 75.54 H new ATOM 0 HA ALA A 71 -21.850 -24.220 -3.303 1.00 13.40 H new ATOM 0 HB1 ALA A 71 -20.289 -23.659 -5.122 1.00 15.02 H new ATOM 0 HB2 ALA A 71 -20.178 -22.501 -3.775 1.00 15.02 H new ATOM 0 HB3 ALA A 71 -18.929 -23.752 -3.977 1.00 15.02 H new ATOM 1103 N MET A 72 -19.588 -26.564 -3.082 1.00 0.32 N ATOM 1104 CA MET A 72 -19.321 -27.961 -3.386 1.00 72.02 C ATOM 1105 C MET A 72 -20.407 -28.855 -2.792 1.00 5.03 C ATOM 1106 O MET A 72 -20.748 -29.887 -3.362 1.00 23.14 O ATOM 1107 CB MET A 72 -17.948 -28.391 -2.860 1.00 62.12 C ATOM 1108 CG MET A 72 -16.773 -27.661 -3.496 1.00 3.44 C ATOM 1109 SD MET A 72 -15.197 -28.444 -3.106 1.00 75.11 S ATOM 1110 CE MET A 72 -14.119 -27.648 -4.289 1.00 54.14 C ATOM 0 H MET A 72 -18.947 -26.147 -2.407 1.00 0.32 H new ATOM 0 HA MET A 72 -19.323 -28.070 -4.471 1.00 72.02 H new ATOM 0 HB2 MET A 72 -17.919 -28.231 -1.782 1.00 62.12 H new ATOM 0 HB3 MET A 72 -17.828 -29.462 -3.026 1.00 62.12 H new ATOM 0 HG2 MET A 72 -16.906 -27.634 -4.578 1.00 3.44 H new ATOM 0 HG3 MET A 72 -16.759 -26.627 -3.151 1.00 3.44 H new ATOM 0 HE1 MET A 72 -13.213 -28.242 -4.413 1.00 54.14 H new ATOM 0 HE2 MET A 72 -14.631 -27.563 -5.248 1.00 54.14 H new ATOM 0 HE3 MET A 72 -13.855 -26.654 -3.929 1.00 54.14 H new ATOM 1120 N ASN A 73 -20.956 -28.449 -1.649 1.00 23.33 N ATOM 1121 CA ASN A 73 -22.066 -29.176 -1.027 1.00 15.24 C ATOM 1122 C ASN A 73 -23.362 -28.916 -1.782 1.00 74.22 C ATOM 1123 O ASN A 73 -24.346 -29.642 -1.624 1.00 45.30 O ATOM 1124 CB ASN A 73 -22.255 -28.769 0.440 1.00 71.33 C ATOM 1125 CG ASN A 73 -21.219 -29.367 1.370 1.00 21.13 C ATOM 1126 OD1 ASN A 73 -21.387 -30.477 1.879 1.00 54.31 O ATOM 1127 ND2 ASN A 73 -20.150 -28.632 1.618 1.00 53.40 N ATOM 0 H ASN A 73 -20.653 -27.623 -1.134 1.00 23.33 H new ATOM 0 HA ASN A 73 -21.819 -30.237 -1.068 1.00 15.24 H new ATOM 0 HB2 ASN A 73 -22.216 -27.682 0.516 1.00 71.33 H new ATOM 0 HB3 ASN A 73 -23.248 -29.076 0.769 1.00 71.33 H new ATOM 0 HD21 ASN A 73 -19.428 -28.979 2.250 1.00 53.40 H new ATOM 0 HD22 ASN A 73 -20.046 -27.718 1.178 1.00 53.40 H new ATOM 1134 N ALA A 74 -23.351 -27.885 -2.612 1.00 55.42 N ATOM 1135 CA ALA A 74 -24.529 -27.485 -3.366 1.00 61.22 C ATOM 1136 C ALA A 74 -24.644 -28.270 -4.672 1.00 64.30 C ATOM 1137 O ALA A 74 -25.473 -27.956 -5.526 1.00 52.13 O ATOM 1138 CB ALA A 74 -24.480 -25.991 -3.642 1.00 53.33 C ATOM 0 H ALA A 74 -22.530 -27.304 -2.782 1.00 55.42 H new ATOM 0 HA ALA A 74 -25.413 -27.709 -2.769 1.00 61.22 H new ATOM 0 HB1 ALA A 74 -25.364 -25.696 -4.207 1.00 53.33 H new ATOM 0 HB2 ALA A 74 -24.455 -25.447 -2.698 1.00 53.33 H new ATOM 0 HB3 ALA A 74 -23.586 -25.757 -4.220 1.00 53.33 H new ATOM 1144 N ARG A 75 -23.806 -29.289 -4.816 1.00 11.24 N ATOM 1145 CA ARG A 75 -23.836 -30.152 -5.991 1.00 33.15 C ATOM 1146 C ARG A 75 -25.049 -31.084 -5.938 1.00 45.33 C ATOM 1147 O ARG A 75 -25.500 -31.463 -4.853 1.00 70.24 O ATOM 1148 CB ARG A 75 -22.546 -30.971 -6.080 1.00 31.11 C ATOM 1149 CG ARG A 75 -22.365 -31.935 -4.923 1.00 74.35 C ATOM 1150 CD ARG A 75 -21.019 -32.635 -4.976 1.00 10.04 C ATOM 1151 NE ARG A 75 -20.856 -33.575 -3.870 1.00 63.21 N ATOM 1152 CZ ARG A 75 -19.747 -33.685 -3.143 1.00 14.50 C ATOM 1153 NH1 ARG A 75 -18.704 -32.901 -3.396 1.00 54.14 N ATOM 1154 NH2 ARG A 75 -19.685 -34.574 -2.157 1.00 31.44 N ATOM 0 H ARG A 75 -23.094 -29.539 -4.130 1.00 11.24 H new ATOM 0 HA ARG A 75 -23.916 -29.525 -6.879 1.00 33.15 H new ATOM 0 HB2 ARG A 75 -22.544 -31.532 -7.015 1.00 31.11 H new ATOM 0 HB3 ARG A 75 -21.694 -30.292 -6.114 1.00 31.11 H new ATOM 0 HG2 ARG A 75 -22.456 -31.393 -3.981 1.00 74.35 H new ATOM 0 HG3 ARG A 75 -23.162 -32.678 -4.941 1.00 74.35 H new ATOM 0 HD2 ARG A 75 -20.922 -33.166 -5.923 1.00 10.04 H new ATOM 0 HD3 ARG A 75 -20.221 -31.893 -4.944 1.00 10.04 H new ATOM 0 HE ARG A 75 -21.641 -34.185 -3.641 1.00 63.21 H new ATOM 0 HH11 ARG A 75 -18.753 -32.214 -4.148 1.00 54.14 H new ATOM 0 HH12 ARG A 75 -17.855 -32.986 -2.838 1.00 54.14 H new ATOM 0 HH21 ARG A 75 -20.487 -35.172 -1.958 1.00 31.44 H new ATOM 0 HH22 ARG A 75 -18.835 -34.659 -1.599 1.00 31.44 H new ATOM 1168 N PRO A 76 -25.607 -31.456 -7.100 1.00 21.33 N ATOM 1169 CA PRO A 76 -25.139 -30.994 -8.409 1.00 72.23 C ATOM 1170 C PRO A 76 -25.488 -29.530 -8.643 1.00 10.23 C ATOM 1171 O PRO A 76 -26.654 -29.139 -8.554 1.00 53.40 O ATOM 1172 CB PRO A 76 -25.887 -31.886 -9.413 1.00 33.12 C ATOM 1173 CG PRO A 76 -26.553 -32.946 -8.599 1.00 24.24 C ATOM 1174 CD PRO A 76 -26.748 -32.365 -7.231 1.00 4.34 C ATOM 0 HA PRO A 76 -24.055 -31.063 -8.500 1.00 72.23 H new ATOM 0 HB2 PRO A 76 -26.619 -31.309 -9.978 1.00 33.12 H new ATOM 0 HB3 PRO A 76 -25.198 -32.323 -10.136 1.00 33.12 H new ATOM 0 HG2 PRO A 76 -27.508 -33.232 -9.040 1.00 24.24 H new ATOM 0 HG3 PRO A 76 -25.940 -33.846 -8.556 1.00 24.24 H new ATOM 0 HD2 PRO A 76 -27.698 -31.837 -7.147 1.00 4.34 H new ATOM 0 HD3 PRO A 76 -26.742 -33.135 -6.460 1.00 4.34 H new ATOM 1182 N HIS A 77 -24.476 -28.729 -8.932 1.00 24.34 N ATOM 1183 CA HIS A 77 -24.667 -27.296 -9.107 1.00 73.21 C ATOM 1184 C HIS A 77 -25.485 -27.022 -10.366 1.00 43.42 C ATOM 1185 O HIS A 77 -25.499 -27.830 -11.297 1.00 71.12 O ATOM 1186 CB HIS A 77 -23.319 -26.576 -9.178 1.00 4.14 C ATOM 1187 CG HIS A 77 -23.373 -25.167 -8.671 1.00 43.41 C ATOM 1188 ND1 HIS A 77 -24.039 -24.179 -9.356 1.00 52.14 N ATOM 1189 CD2 HIS A 77 -22.851 -24.644 -7.536 1.00 14.24 C ATOM 1190 CE1 HIS A 77 -23.913 -23.085 -8.630 1.00 33.42 C ATOM 1191 NE2 HIS A 77 -23.200 -23.318 -7.517 1.00 33.31 N ATOM 0 H HIS A 77 -23.513 -29.045 -9.051 1.00 24.34 H new ATOM 0 HA HIS A 77 -25.213 -26.913 -8.245 1.00 73.21 H new ATOM 0 HB2 HIS A 77 -22.585 -27.136 -8.598 1.00 4.14 H new ATOM 0 HB3 HIS A 77 -22.972 -26.570 -10.211 1.00 4.14 H new ATOM 0 HD2 HIS A 77 -22.272 -25.169 -6.791 1.00 14.24 H new ATOM 0 HE1 HIS A 77 -24.330 -22.125 -8.897 1.00 33.42 H new ATOM 0 HE2 HIS A 77 -22.963 -22.638 -6.795 1.00 33.31 H new ATOM 1199 N LYS A 78 -26.152 -25.880 -10.395 1.00 71.14 N ATOM 1200 CA LYS A 78 -27.064 -25.553 -11.478 1.00 11.00 C ATOM 1201 C LYS A 78 -26.971 -24.072 -11.824 1.00 51.53 C ATOM 1202 O LYS A 78 -27.516 -23.224 -11.115 1.00 40.43 O ATOM 1203 CB LYS A 78 -28.502 -25.908 -11.080 1.00 11.20 C ATOM 1204 CG LYS A 78 -29.530 -25.665 -12.177 1.00 32.12 C ATOM 1205 CD LYS A 78 -29.346 -26.623 -13.345 1.00 42.23 C ATOM 1206 CE LYS A 78 -29.699 -28.053 -12.965 1.00 33.20 C ATOM 1207 NZ LYS A 78 -31.149 -28.218 -12.676 1.00 62.33 N ATOM 0 H LYS A 78 -26.078 -25.160 -9.676 1.00 71.14 H new ATOM 0 HA LYS A 78 -26.783 -26.135 -12.356 1.00 11.00 H new ATOM 0 HB2 LYS A 78 -28.538 -26.958 -10.789 1.00 11.20 H new ATOM 0 HB3 LYS A 78 -28.779 -25.324 -10.202 1.00 11.20 H new ATOM 0 HG2 LYS A 78 -30.533 -25.780 -11.767 1.00 32.12 H new ATOM 0 HG3 LYS A 78 -29.447 -24.638 -12.532 1.00 32.12 H new ATOM 0 HD2 LYS A 78 -29.971 -26.304 -14.179 1.00 42.23 H new ATOM 0 HD3 LYS A 78 -28.312 -26.583 -13.688 1.00 42.23 H new ATOM 0 HE2 LYS A 78 -29.414 -28.723 -13.776 1.00 33.20 H new ATOM 0 HE3 LYS A 78 -29.120 -28.348 -12.090 1.00 33.20 H new ATOM 0 HZ1 LYS A 78 -31.383 -29.231 -12.639 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -31.373 -27.777 -11.761 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -31.707 -27.761 -13.426 1.00 62.33 H new ATOM 1221 N VAL A 79 -26.270 -23.767 -12.904 1.00 10.12 N ATOM 1222 CA VAL A 79 -26.165 -22.396 -13.380 1.00 1.02 C ATOM 1223 C VAL A 79 -26.568 -22.323 -14.850 1.00 24.41 C ATOM 1224 O VAL A 79 -26.072 -23.088 -15.677 1.00 22.12 O ATOM 1225 CB VAL A 79 -24.743 -21.808 -13.160 1.00 70.05 C ATOM 1226 CG1 VAL A 79 -23.670 -22.821 -13.501 1.00 62.14 C ATOM 1227 CG2 VAL A 79 -24.543 -20.528 -13.963 1.00 14.23 C ATOM 0 H VAL A 79 -25.765 -24.450 -13.468 1.00 10.12 H new ATOM 0 HA VAL A 79 -26.851 -21.784 -12.794 1.00 1.02 H new ATOM 0 HB VAL A 79 -24.654 -21.562 -12.102 1.00 70.05 H new ATOM 0 HG11 VAL A 79 -22.687 -22.379 -13.337 1.00 62.14 H new ATOM 0 HG12 VAL A 79 -23.784 -23.699 -12.866 1.00 62.14 H new ATOM 0 HG13 VAL A 79 -23.766 -23.114 -14.546 1.00 62.14 H new ATOM 0 HG21 VAL A 79 -23.539 -20.142 -13.788 1.00 14.23 H new ATOM 0 HG22 VAL A 79 -24.670 -20.741 -15.024 1.00 14.23 H new ATOM 0 HG23 VAL A 79 -25.277 -19.785 -13.652 1.00 14.23 H new ATOM 1237 N ASP A 80 -27.514 -21.428 -15.144 1.00 34.00 N ATOM 1238 CA ASP A 80 -28.075 -21.270 -16.490 1.00 70.54 C ATOM 1239 C ASP A 80 -28.837 -22.535 -16.897 1.00 51.12 C ATOM 1240 O ASP A 80 -29.078 -22.790 -18.078 1.00 23.20 O ATOM 1241 CB ASP A 80 -26.974 -20.945 -17.515 1.00 75.32 C ATOM 1242 CG ASP A 80 -27.532 -20.471 -18.842 1.00 21.42 C ATOM 1243 OD1 ASP A 80 -28.005 -19.318 -18.912 1.00 34.05 O ATOM 1244 OD2 ASP A 80 -27.495 -21.238 -19.820 1.00 15.22 O ATOM 0 H ASP A 80 -27.914 -20.791 -14.455 1.00 34.00 H new ATOM 0 HA ASP A 80 -28.772 -20.432 -16.474 1.00 70.54 H new ATOM 0 HB2 ASP A 80 -26.318 -20.177 -17.106 1.00 75.32 H new ATOM 0 HB3 ASP A 80 -26.362 -21.832 -17.679 1.00 75.32 H new ATOM 1249 N GLY A 81 -29.242 -23.316 -15.902 1.00 42.11 N ATOM 1250 CA GLY A 81 -29.930 -24.564 -16.169 1.00 23.33 C ATOM 1251 C GLY A 81 -28.969 -25.669 -16.559 1.00 24.13 C ATOM 1252 O GLY A 81 -29.383 -26.729 -17.027 1.00 5.44 O ATOM 0 H GLY A 81 -29.105 -23.106 -14.913 1.00 42.11 H new ATOM 0 HA2 GLY A 81 -30.490 -24.866 -15.284 1.00 23.33 H new ATOM 0 HA3 GLY A 81 -30.655 -24.415 -16.969 1.00 23.33 H new ATOM 1256 N ARG A 82 -27.685 -25.419 -16.356 1.00 30.41 N ATOM 1257 CA ARG A 82 -26.652 -26.373 -16.710 1.00 64.22 C ATOM 1258 C ARG A 82 -25.996 -26.925 -15.450 1.00 72.00 C ATOM 1259 O ARG A 82 -25.576 -26.164 -14.576 1.00 14.03 O ATOM 1260 CB ARG A 82 -25.618 -25.686 -17.610 1.00 12.43 C ATOM 1261 CG ARG A 82 -24.519 -26.596 -18.132 1.00 42.22 C ATOM 1262 CD ARG A 82 -25.086 -27.829 -18.809 1.00 51.24 C ATOM 1263 NE ARG A 82 -24.121 -28.468 -19.704 1.00 43.03 N ATOM 1264 CZ ARG A 82 -23.392 -29.540 -19.385 1.00 11.24 C ATOM 1265 NH1 ARG A 82 -23.436 -30.043 -18.160 1.00 73.24 N ATOM 1266 NH2 ARG A 82 -22.604 -30.097 -20.295 1.00 0.04 N ATOM 0 H ARG A 82 -27.334 -24.555 -15.944 1.00 30.41 H new ATOM 0 HA ARG A 82 -27.093 -27.209 -17.254 1.00 64.22 H new ATOM 0 HB2 ARG A 82 -26.136 -25.242 -18.460 1.00 12.43 H new ATOM 0 HB3 ARG A 82 -25.159 -24.869 -17.053 1.00 12.43 H new ATOM 0 HG2 ARG A 82 -23.897 -26.047 -18.838 1.00 42.22 H new ATOM 0 HG3 ARG A 82 -23.874 -26.898 -17.307 1.00 42.22 H new ATOM 0 HD2 ARG A 82 -25.402 -28.544 -18.050 1.00 51.24 H new ATOM 0 HD3 ARG A 82 -25.975 -27.552 -19.376 1.00 51.24 H new ATOM 0 HE ARG A 82 -23.997 -28.068 -20.634 1.00 43.03 H new ATOM 0 HH11 ARG A 82 -24.030 -29.611 -17.452 1.00 73.24 H new ATOM 0 HH12 ARG A 82 -22.876 -30.862 -17.925 1.00 73.24 H new ATOM 0 HH21 ARG A 82 -22.556 -29.706 -21.236 1.00 0.04 H new ATOM 0 HH22 ARG A 82 -22.046 -30.916 -20.054 1.00 0.04 H new ATOM 1280 N VAL A 83 -25.945 -28.247 -15.347 1.00 40.21 N ATOM 1281 CA VAL A 83 -25.305 -28.902 -14.216 1.00 71.34 C ATOM 1282 C VAL A 83 -23.796 -28.889 -14.399 1.00 64.23 C ATOM 1283 O VAL A 83 -23.258 -29.599 -15.251 1.00 1.34 O ATOM 1284 CB VAL A 83 -25.785 -30.360 -14.047 1.00 50.40 C ATOM 1285 CG1 VAL A 83 -25.136 -31.005 -12.832 1.00 13.04 C ATOM 1286 CG2 VAL A 83 -27.299 -30.419 -13.939 1.00 15.41 C ATOM 0 H VAL A 83 -26.341 -28.887 -16.036 1.00 40.21 H new ATOM 0 HA VAL A 83 -25.581 -28.349 -13.318 1.00 71.34 H new ATOM 0 HB VAL A 83 -25.483 -30.920 -14.932 1.00 50.40 H new ATOM 0 HG11 VAL A 83 -25.489 -32.031 -12.733 1.00 13.04 H new ATOM 0 HG12 VAL A 83 -24.053 -31.004 -12.955 1.00 13.04 H new ATOM 0 HG13 VAL A 83 -25.400 -30.442 -11.937 1.00 13.04 H new ATOM 0 HG21 VAL A 83 -27.615 -31.455 -13.821 1.00 15.41 H new ATOM 0 HG22 VAL A 83 -27.625 -29.839 -13.075 1.00 15.41 H new ATOM 0 HG23 VAL A 83 -27.745 -30.005 -14.843 1.00 15.41 H new ATOM 1296 N VAL A 84 -23.124 -28.072 -13.611 1.00 74.31 N ATOM 1297 CA VAL A 84 -21.686 -27.906 -13.736 1.00 74.12 C ATOM 1298 C VAL A 84 -20.946 -28.712 -12.681 1.00 0.41 C ATOM 1299 O VAL A 84 -21.556 -29.275 -11.770 1.00 1.41 O ATOM 1300 CB VAL A 84 -21.274 -26.428 -13.614 1.00 73.45 C ATOM 1301 CG1 VAL A 84 -21.935 -25.604 -14.703 1.00 34.02 C ATOM 1302 CG2 VAL A 84 -21.622 -25.877 -12.237 1.00 41.42 C ATOM 0 H VAL A 84 -23.551 -27.510 -12.875 1.00 74.31 H new ATOM 0 HA VAL A 84 -21.415 -28.270 -14.727 1.00 74.12 H new ATOM 0 HB VAL A 84 -20.193 -26.364 -13.738 1.00 73.45 H new ATOM 0 HG11 VAL A 84 -21.634 -24.561 -14.603 1.00 34.02 H new ATOM 0 HG12 VAL A 84 -21.628 -25.979 -15.680 1.00 34.02 H new ATOM 0 HG13 VAL A 84 -23.018 -25.679 -14.609 1.00 34.02 H new ATOM 0 HG21 VAL A 84 -21.321 -24.831 -12.177 1.00 41.42 H new ATOM 0 HG22 VAL A 84 -22.697 -25.955 -12.075 1.00 41.42 H new ATOM 0 HG23 VAL A 84 -21.098 -26.450 -11.473 1.00 41.42 H new ATOM 1312 N GLU A 85 -19.634 -28.756 -12.810 1.00 3.13 N ATOM 1313 CA GLU A 85 -18.794 -29.435 -11.843 1.00 4.35 C ATOM 1314 C GLU A 85 -17.782 -28.455 -11.263 1.00 62.24 C ATOM 1315 O GLU A 85 -16.843 -28.043 -11.948 1.00 70.11 O ATOM 1316 CB GLU A 85 -18.081 -30.619 -12.496 1.00 60.22 C ATOM 1317 CG GLU A 85 -17.159 -31.373 -11.554 1.00 42.03 C ATOM 1318 CD GLU A 85 -16.441 -32.515 -12.237 1.00 73.15 C ATOM 1319 OE1 GLU A 85 -15.451 -32.256 -12.949 1.00 3.32 O ATOM 1320 OE2 GLU A 85 -16.855 -33.678 -12.058 1.00 70.54 O ATOM 0 H GLU A 85 -19.124 -28.326 -13.581 1.00 3.13 H new ATOM 0 HA GLU A 85 -19.418 -29.817 -11.035 1.00 4.35 H new ATOM 0 HB2 GLU A 85 -18.828 -31.309 -12.889 1.00 60.22 H new ATOM 0 HB3 GLU A 85 -17.501 -30.259 -13.346 1.00 60.22 H new ATOM 0 HG2 GLU A 85 -16.425 -30.682 -11.140 1.00 42.03 H new ATOM 0 HG3 GLU A 85 -17.739 -31.762 -10.717 1.00 42.03 H new ATOM 1327 N PRO A 86 -17.983 -28.040 -10.005 1.00 23.41 N ATOM 1328 CA PRO A 86 -17.098 -27.113 -9.324 1.00 13.35 C ATOM 1329 C PRO A 86 -15.962 -27.826 -8.594 1.00 25.20 C ATOM 1330 O PRO A 86 -16.179 -28.499 -7.581 1.00 53.11 O ATOM 1331 CB PRO A 86 -18.027 -26.402 -8.330 1.00 24.41 C ATOM 1332 CG PRO A 86 -19.294 -27.209 -8.274 1.00 73.11 C ATOM 1333 CD PRO A 86 -19.099 -28.427 -9.141 1.00 32.53 C ATOM 0 HA PRO A 86 -16.601 -26.435 -10.017 1.00 13.35 H new ATOM 0 HB2 PRO A 86 -17.564 -26.338 -7.345 1.00 24.41 H new ATOM 0 HB3 PRO A 86 -18.232 -25.381 -8.653 1.00 24.41 H new ATOM 0 HG2 PRO A 86 -19.516 -27.501 -7.248 1.00 73.11 H new ATOM 0 HG3 PRO A 86 -20.139 -26.619 -8.628 1.00 73.11 H new ATOM 0 HD2 PRO A 86 -18.863 -29.311 -8.548 1.00 32.53 H new ATOM 0 HD3 PRO A 86 -19.994 -28.660 -9.718 1.00 32.53 H new ATOM 1341 N LYS A 87 -14.756 -27.692 -9.122 1.00 42.22 N ATOM 1342 CA LYS A 87 -13.585 -28.318 -8.526 1.00 74.41 C ATOM 1343 C LYS A 87 -12.604 -27.263 -8.032 1.00 14.54 C ATOM 1344 O LYS A 87 -12.658 -26.114 -8.451 1.00 72.32 O ATOM 1345 CB LYS A 87 -12.891 -29.231 -9.538 1.00 42.33 C ATOM 1346 CG LYS A 87 -13.747 -30.397 -10.002 1.00 30.41 C ATOM 1347 CD LYS A 87 -12.989 -31.297 -10.965 1.00 53.52 C ATOM 1348 CE LYS A 87 -12.618 -30.564 -12.244 1.00 72.13 C ATOM 1349 NZ LYS A 87 -11.831 -31.424 -13.165 1.00 74.20 N ATOM 0 H LYS A 87 -14.561 -27.153 -9.966 1.00 42.22 H new ATOM 0 HA LYS A 87 -13.918 -28.916 -7.677 1.00 74.41 H new ATOM 0 HB2 LYS A 87 -12.599 -28.640 -10.406 1.00 42.33 H new ATOM 0 HB3 LYS A 87 -11.975 -29.620 -9.094 1.00 42.33 H new ATOM 0 HG2 LYS A 87 -14.071 -30.978 -9.138 1.00 30.41 H new ATOM 0 HG3 LYS A 87 -14.646 -30.019 -10.488 1.00 30.41 H new ATOM 0 HD2 LYS A 87 -12.085 -31.667 -10.482 1.00 53.52 H new ATOM 0 HD3 LYS A 87 -13.600 -32.167 -11.208 1.00 53.52 H new ATOM 0 HE2 LYS A 87 -13.525 -30.228 -12.747 1.00 72.13 H new ATOM 0 HE3 LYS A 87 -12.041 -29.672 -11.998 1.00 72.13 H new ATOM 0 HZ1 LYS A 87 -11.597 -30.888 -14.025 1.00 74.20 H new ATOM 0 HZ2 LYS A 87 -10.953 -31.724 -12.695 1.00 74.20 H new ATOM 0 HZ3 LYS A 87 -12.391 -32.262 -13.420 1.00 74.20 H new ATOM 1363 N ARG A 88 -11.724 -27.658 -7.128 1.00 4.55 N ATOM 1364 CA ARG A 88 -10.674 -26.778 -6.636 1.00 3.45 C ATOM 1365 C ARG A 88 -9.743 -26.387 -7.778 1.00 41.12 C ATOM 1366 O ARG A 88 -9.367 -27.231 -8.596 1.00 34.51 O ATOM 1367 CB ARG A 88 -9.874 -27.474 -5.536 1.00 63.42 C ATOM 1368 CG ARG A 88 -9.615 -26.600 -4.324 1.00 42.23 C ATOM 1369 CD ARG A 88 -10.902 -26.328 -3.565 1.00 45.41 C ATOM 1370 NE ARG A 88 -10.667 -25.590 -2.328 1.00 54.04 N ATOM 1371 CZ ARG A 88 -10.960 -26.065 -1.114 1.00 3.41 C ATOM 1372 NH1 ARG A 88 -11.452 -27.290 -0.974 1.00 30.53 N ATOM 1373 NH2 ARG A 88 -10.745 -25.325 -0.038 1.00 11.43 N ATOM 0 H ARG A 88 -11.715 -28.591 -6.716 1.00 4.55 H new ATOM 0 HA ARG A 88 -11.136 -25.880 -6.226 1.00 3.45 H new ATOM 0 HB2 ARG A 88 -10.410 -28.369 -5.220 1.00 63.42 H new ATOM 0 HB3 ARG A 88 -8.919 -27.803 -5.946 1.00 63.42 H new ATOM 0 HG2 ARG A 88 -8.897 -27.088 -3.666 1.00 42.23 H new ATOM 0 HG3 ARG A 88 -9.168 -25.657 -4.640 1.00 42.23 H new ATOM 0 HD2 ARG A 88 -11.584 -25.762 -4.200 1.00 45.41 H new ATOM 0 HD3 ARG A 88 -11.393 -27.274 -3.334 1.00 45.41 H new ATOM 0 HE ARG A 88 -10.256 -24.659 -2.394 1.00 54.04 H new ATOM 0 HH11 ARG A 88 -11.608 -27.874 -1.796 1.00 30.53 H new ATOM 0 HH12 ARG A 88 -11.674 -27.647 -0.045 1.00 30.53 H new ATOM 0 HH21 ARG A 88 -10.354 -24.388 -0.133 1.00 11.43 H new ATOM 0 HH22 ARG A 88 -10.970 -25.692 0.887 1.00 11.43 H new ATOM 1387 N ALA A 89 -9.377 -25.117 -7.838 1.00 62.13 N ATOM 1388 CA ALA A 89 -8.532 -24.626 -8.912 1.00 31.30 C ATOM 1389 C ALA A 89 -7.061 -24.943 -8.660 1.00 25.25 C ATOM 1390 O ALA A 89 -6.641 -25.177 -7.524 1.00 14.41 O ATOM 1391 CB ALA A 89 -8.733 -23.133 -9.107 1.00 32.22 C ATOM 0 H ALA A 89 -9.652 -24.409 -7.157 1.00 62.13 H new ATOM 0 HA ALA A 89 -8.826 -25.141 -9.827 1.00 31.30 H new ATOM 0 HB1 ALA A 89 -8.092 -22.782 -9.916 1.00 32.22 H new ATOM 0 HB2 ALA A 89 -9.775 -22.936 -9.359 1.00 32.22 H new ATOM 0 HB3 ALA A 89 -8.476 -22.608 -8.187 1.00 32.22 H new ATOM 1397 N VAL A 90 -6.294 -24.962 -9.740 1.00 42.13 N ATOM 1398 CA VAL A 90 -4.866 -25.246 -9.689 1.00 25.31 C ATOM 1399 C VAL A 90 -4.094 -24.043 -10.228 1.00 0.21 C ATOM 1400 O VAL A 90 -4.667 -23.204 -10.916 1.00 54.22 O ATOM 1401 CB VAL A 90 -4.528 -26.505 -10.532 1.00 43.42 C ATOM 1402 CG1 VAL A 90 -3.072 -26.916 -10.375 1.00 72.13 C ATOM 1403 CG2 VAL A 90 -5.447 -27.663 -10.166 1.00 22.44 C ATOM 0 H VAL A 90 -6.645 -24.780 -10.680 1.00 42.13 H new ATOM 0 HA VAL A 90 -4.580 -25.437 -8.655 1.00 25.31 H new ATOM 0 HB VAL A 90 -4.689 -26.246 -11.578 1.00 43.42 H new ATOM 0 HG11 VAL A 90 -2.876 -27.801 -10.981 1.00 72.13 H new ATOM 0 HG12 VAL A 90 -2.427 -26.101 -10.703 1.00 72.13 H new ATOM 0 HG13 VAL A 90 -2.868 -27.141 -9.328 1.00 72.13 H new ATOM 0 HG21 VAL A 90 -5.192 -28.534 -10.769 1.00 22.44 H new ATOM 0 HG22 VAL A 90 -5.325 -27.904 -9.110 1.00 22.44 H new ATOM 0 HG23 VAL A 90 -6.482 -27.380 -10.357 1.00 22.44 H new