USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -3.63! K(o=-4.4!,f=-3.6) USER MOD Set 1.2: A 85 SER OG : rot 78:sc= -0.807 USER MOD Single : A 11 THR OG1 : rot -25:sc= 0.0961 USER MOD Single : A 13 ASN : amide:sc= -0.455 K(o=-0.45,f=-4!) USER MOD Single : A 17 CYS SG : rot -129:sc= 1.03 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0449) USER MOD Single : A 20 SER OG : rot 36:sc= 0.313 USER MOD Single : A 21 LYS NZ :NH3+ -121:sc= 0.828 (180deg=-0.406) USER MOD Single : A 22 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.1) USER MOD Single : A 25 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.36) USER MOD Single : A 27 TYR OH : rot 22:sc= -3.58! USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.0863 (180deg=-0.478) USER MOD Single : A 37 THR OG1 : rot 68:sc= 0.873 USER MOD Single : A 40 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.5) USER MOD Single : A 49 SER OG : rot -109:sc= 0.0753 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc=-0.00194 (180deg=-0.0793) USER MOD Single : A 75 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-0.21) USER MOD Single : A 77 GLN : amide:sc= -0.438 K(o=-0.44,f=0.089) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.0946 (180deg=-0.456) USER MOD Single : A 87 ASN : amide:sc= 0.383 K(o=0.38,f=-2.8!) USER MOD Single : A 88 SER OG : rot 30:sc= 0.0236 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.46) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0475) USER MOD Single : A 114 GLN : amide:sc= -0.004 X(o=-0.004,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -11.086 -11.470 8.483 1.00 0.00 N ATOM 105 CA THR A 11 -10.514 -10.296 7.835 1.00 0.00 C ATOM 106 C THR A 11 -9.640 -9.506 8.803 1.00 0.00 C ATOM 107 O THR A 11 -10.061 -9.183 9.914 1.00 0.00 O ATOM 108 CB THR A 11 -11.612 -9.370 7.279 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.518 -9.001 8.326 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.378 -10.052 6.156 1.00 0.00 C ATOM 0 HA THR A 11 -9.902 -10.657 7.009 1.00 0.00 H new ATOM 0 HB THR A 11 -11.134 -8.475 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.504 -9.686 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.148 -9.379 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.691 -10.305 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.845 -10.962 6.534 1.00 0.00 H new ATOM 118 N PHE A 12 -8.421 -9.195 8.373 1.00 0.00 N ATOM 119 CA PHE A 12 -7.487 -8.442 9.202 1.00 0.00 C ATOM 120 C PHE A 12 -7.929 -6.987 9.334 1.00 0.00 C ATOM 121 O PHE A 12 -8.847 -6.541 8.648 1.00 0.00 O ATOM 122 CB PHE A 12 -6.079 -8.507 8.609 1.00 0.00 C ATOM 123 CG PHE A 12 -5.521 -9.900 8.541 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.855 -10.745 7.494 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.662 -10.365 9.524 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.343 -12.027 7.431 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.147 -11.647 9.465 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.487 -12.478 8.416 1.00 0.00 C ATOM 0 H PHE A 12 -8.057 -9.453 7.456 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.476 -8.892 10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.096 -8.082 7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.412 -7.886 9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.522 -10.398 6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.392 -9.719 10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.612 -12.676 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.480 -11.998 10.238 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.084 -13.479 8.366 1.00 0.00 H new ATOM 138 N ASN A 13 -7.267 -6.253 10.223 1.00 0.00 N ATOM 139 CA ASN A 13 -7.591 -4.849 10.447 1.00 0.00 C ATOM 140 C ASN A 13 -6.459 -3.946 9.968 1.00 0.00 C ATOM 141 O ASN A 13 -5.553 -3.591 10.722 1.00 0.00 O ATOM 142 CB ASN A 13 -7.865 -4.598 11.931 1.00 0.00 C ATOM 143 CG ASN A 13 -8.826 -5.612 12.521 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.467 -6.372 11.795 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.930 -5.628 13.845 1.00 0.00 N ATOM 0 H ASN A 13 -6.504 -6.607 10.799 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.487 -4.613 9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.925 -4.629 12.482 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.275 -3.596 12.058 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.561 -6.289 14.299 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.379 -4.980 14.408 1.00 0.00 H new ATOM 152 N PRO A 14 -6.509 -3.564 8.683 1.00 0.00 N ATOM 153 CA PRO A 14 -5.496 -2.697 8.074 1.00 0.00 C ATOM 154 C PRO A 14 -5.563 -1.268 8.603 1.00 0.00 C ATOM 155 O PRO A 14 -6.455 -0.924 9.378 1.00 0.00 O ATOM 156 CB PRO A 14 -5.847 -2.733 6.585 1.00 0.00 C ATOM 157 CG PRO A 14 -7.302 -3.054 6.546 1.00 0.00 C ATOM 158 CD PRO A 14 -7.560 -3.950 7.725 1.00 0.00 C ATOM 0 HA PRO A 14 -4.484 -3.035 8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.640 -1.776 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.261 -3.486 6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.903 -2.147 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.567 -3.551 5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.557 -3.794 8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.489 -5.003 7.453 1.00 0.00 H new ATOM 166 N ARG A 15 -4.614 -0.441 8.178 1.00 0.00 N ATOM 167 CA ARG A 15 -4.565 0.951 8.610 1.00 0.00 C ATOM 168 C ARG A 15 -4.553 1.893 7.409 1.00 0.00 C ATOM 169 O ARG A 15 -3.530 2.054 6.745 1.00 0.00 O ATOM 170 CB ARG A 15 -3.327 1.196 9.475 1.00 0.00 C ATOM 171 CG ARG A 15 -3.342 2.533 10.196 1.00 0.00 C ATOM 172 CD ARG A 15 -2.040 2.780 10.941 1.00 0.00 C ATOM 173 NE ARG A 15 -2.020 2.119 12.243 1.00 0.00 N ATOM 174 CZ ARG A 15 -1.237 2.498 13.247 1.00 0.00 C ATOM 175 NH1 ARG A 15 -0.415 3.527 13.100 1.00 0.00 N ATOM 176 NH2 ARG A 15 -1.276 1.846 14.402 1.00 0.00 N ATOM 0 H ARG A 15 -3.869 -0.710 7.535 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.459 1.153 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.245 0.397 10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.438 1.142 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.508 3.334 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.175 2.559 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.205 2.421 10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.898 3.852 11.077 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.641 1.323 12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.382 4.031 12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.185 3.815 13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.907 1.053 14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.675 2.137 15.173 1.00 0.00 H new ATOM 190 N GLU A 16 -5.698 2.511 7.138 1.00 0.00 N ATOM 191 CA GLU A 16 -5.820 3.435 6.016 1.00 0.00 C ATOM 192 C GLU A 16 -5.093 4.745 6.310 1.00 0.00 C ATOM 193 O GLU A 16 -5.031 5.189 7.457 1.00 0.00 O ATOM 194 CB GLU A 16 -7.293 3.714 5.713 1.00 0.00 C ATOM 195 CG GLU A 16 -7.506 4.815 4.688 1.00 0.00 C ATOM 196 CD GLU A 16 -7.432 6.201 5.298 1.00 0.00 C ATOM 197 OE1 GLU A 16 -8.150 6.455 6.287 1.00 0.00 O ATOM 198 OE2 GLU A 16 -6.654 7.033 4.785 1.00 0.00 O ATOM 0 H GLU A 16 -6.554 2.389 7.679 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.360 2.970 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.761 2.798 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.800 3.988 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.754 4.727 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.478 4.682 4.214 1.00 0.00 H new ATOM 205 N CYS A 17 -4.545 5.357 5.266 1.00 0.00 N ATOM 206 CA CYS A 17 -3.821 6.615 5.410 1.00 0.00 C ATOM 207 C CYS A 17 -4.089 7.536 4.224 1.00 0.00 C ATOM 208 O CYS A 17 -3.852 7.168 3.073 1.00 0.00 O ATOM 209 CB CYS A 17 -2.320 6.352 5.539 1.00 0.00 C ATOM 210 SG CYS A 17 -1.851 5.479 7.052 1.00 0.00 S ATOM 0 H CYS A 17 -4.588 5.002 4.311 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.175 7.108 6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.989 5.770 4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.791 7.304 5.503 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.888 6.122 7.643 1.00 0.00 H new ATOM 216 N LYS A 18 -4.585 8.734 4.512 1.00 0.00 N ATOM 217 CA LYS A 18 -4.886 9.709 3.470 1.00 0.00 C ATOM 218 C LYS A 18 -3.752 10.719 3.327 1.00 0.00 C ATOM 219 O LYS A 18 -3.472 11.488 4.248 1.00 0.00 O ATOM 220 CB LYS A 18 -6.195 10.436 3.786 1.00 0.00 C ATOM 221 CG LYS A 18 -7.436 9.648 3.403 1.00 0.00 C ATOM 222 CD LYS A 18 -8.616 10.565 3.129 1.00 0.00 C ATOM 223 CE LYS A 18 -9.940 9.843 3.325 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.262 9.658 4.767 1.00 0.00 N ATOM 0 H LYS A 18 -4.787 9.054 5.459 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.994 9.174 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.230 10.657 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.206 11.392 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.228 9.047 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.691 8.956 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.569 11.428 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.555 10.944 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.737 10.410 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.900 8.871 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.251 9.351 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.633 8.936 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.127 10.558 5.271 1.00 0.00 H new ATOM 238 N LEU A 19 -3.104 10.714 2.168 1.00 0.00 N ATOM 239 CA LEU A 19 -2.001 11.632 1.903 1.00 0.00 C ATOM 240 C LEU A 19 -2.480 12.843 1.110 1.00 0.00 C ATOM 241 O LEU A 19 -3.371 12.734 0.268 1.00 0.00 O ATOM 242 CB LEU A 19 -0.887 10.915 1.138 1.00 0.00 C ATOM 243 CG LEU A 19 0.195 10.253 1.992 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.212 8.837 2.367 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.527 10.251 1.257 1.00 0.00 C ATOM 0 H LEU A 19 -3.323 10.084 1.396 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.611 11.978 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.341 10.151 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.408 11.635 0.474 1.00 0.00 H new ATOM 0 HG LEU A 19 0.310 10.830 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.571 8.382 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.142 8.864 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.356 8.248 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.285 9.776 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.426 9.698 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.825 11.277 1.041 1.00 0.00 H new ATOM 257 N SER A 20 -1.880 13.998 1.383 1.00 0.00 N ATOM 258 CA SER A 20 -2.246 15.231 0.696 1.00 0.00 C ATOM 259 C SER A 20 -1.002 16.005 0.270 1.00 0.00 C ATOM 260 O SER A 20 -0.208 16.437 1.106 1.00 0.00 O ATOM 261 CB SER A 20 -3.119 16.104 1.600 1.00 0.00 C ATOM 262 OG SER A 20 -2.492 16.329 2.851 1.00 0.00 O ATOM 0 H SER A 20 -1.138 14.105 2.075 1.00 0.00 H new ATOM 0 HA SER A 20 -2.812 14.966 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.314 17.058 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.084 15.622 1.755 1.00 0.00 H new ATOM 0 HG SER A 20 -1.524 16.409 2.722 1.00 0.00 H new ATOM 268 N LYS A 21 -0.839 16.177 -1.038 1.00 0.00 N ATOM 269 CA LYS A 21 0.306 16.899 -1.578 1.00 0.00 C ATOM 270 C LYS A 21 -0.146 18.131 -2.356 1.00 0.00 C ATOM 271 O LYS A 21 -1.322 18.268 -2.690 1.00 0.00 O ATOM 272 CB LYS A 21 1.130 15.984 -2.486 1.00 0.00 C ATOM 273 CG LYS A 21 0.386 15.530 -3.730 1.00 0.00 C ATOM 274 CD LYS A 21 1.341 15.029 -4.800 1.00 0.00 C ATOM 275 CE LYS A 21 1.963 16.181 -5.575 1.00 0.00 C ATOM 276 NZ LYS A 21 1.106 16.610 -6.714 1.00 0.00 N ATOM 0 H LYS A 21 -1.486 15.826 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 21 0.925 17.225 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.038 16.507 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.440 15.107 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.315 14.738 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.203 16.358 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.128 14.434 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.807 14.373 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.124 17.025 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.941 15.880 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.637 16.515 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.256 16.013 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.826 17.603 -6.583 1.00 0.00 H new ATOM 290 N GLN A 22 0.797 19.024 -2.641 1.00 0.00 N ATOM 291 CA GLN A 22 0.494 20.244 -3.380 1.00 0.00 C ATOM 292 C GLN A 22 0.706 20.040 -4.877 1.00 0.00 C ATOM 293 O GLN A 22 1.135 18.972 -5.312 1.00 0.00 O ATOM 294 CB GLN A 22 1.368 21.397 -2.882 1.00 0.00 C ATOM 295 CG GLN A 22 1.038 21.842 -1.467 1.00 0.00 C ATOM 296 CD GLN A 22 -0.392 22.329 -1.326 1.00 0.00 C ATOM 297 OE1 GLN A 22 -1.078 22.569 -2.320 1.00 0.00 O ATOM 298 NE2 GLN A 22 -0.848 22.475 -0.088 1.00 0.00 N ATOM 0 H GLN A 22 1.776 18.926 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.554 20.492 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.414 21.094 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.255 22.246 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.204 21.011 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.720 22.640 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.244 22.264 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.803 22.798 0.069 1.00 0.00 H new ATOM 307 N GLU A 23 0.401 21.071 -5.658 1.00 0.00 N ATOM 308 CA GLU A 23 0.557 21.004 -7.106 1.00 0.00 C ATOM 309 C GLU A 23 1.991 21.331 -7.515 1.00 0.00 C ATOM 310 O GLU A 23 2.373 22.497 -7.601 1.00 0.00 O ATOM 311 CB GLU A 23 -0.413 21.968 -7.792 1.00 0.00 C ATOM 312 CG GLU A 23 0.057 22.435 -9.159 1.00 0.00 C ATOM 313 CD GLU A 23 -1.093 22.752 -10.095 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.987 21.894 -10.250 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.100 23.860 -10.671 1.00 0.00 O ATOM 0 H GLU A 23 0.045 21.962 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 23 0.330 19.986 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.382 21.481 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.561 22.838 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.680 23.322 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.683 21.663 -9.607 1.00 0.00 H new ATOM 322 N GLY A 24 2.781 20.291 -7.766 1.00 0.00 N ATOM 323 CA GLY A 24 4.163 20.487 -8.161 1.00 0.00 C ATOM 324 C GLY A 24 5.140 19.867 -7.182 1.00 0.00 C ATOM 325 O GLY A 24 6.214 19.410 -7.573 1.00 0.00 O ATOM 0 H GLY A 24 2.488 19.316 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.320 20.054 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.366 21.555 -8.245 1.00 0.00 H new ATOM 329 N GLN A 25 4.768 19.854 -5.906 1.00 0.00 N ATOM 330 CA GLN A 25 5.622 19.288 -4.868 1.00 0.00 C ATOM 331 C GLN A 25 5.429 17.778 -4.768 1.00 0.00 C ATOM 332 O GLN A 25 4.342 17.263 -5.028 1.00 0.00 O ATOM 333 CB GLN A 25 5.322 19.942 -3.519 1.00 0.00 C ATOM 334 CG GLN A 25 6.524 19.996 -2.589 1.00 0.00 C ATOM 335 CD GLN A 25 6.129 20.176 -1.136 1.00 0.00 C ATOM 336 OE1 GLN A 25 6.441 21.195 -0.518 1.00 0.00 O ATOM 337 NE2 GLN A 25 5.439 19.186 -0.582 1.00 0.00 N ATOM 0 H GLN A 25 3.882 20.228 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 25 6.659 19.487 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.958 20.955 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.518 19.393 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.101 19.077 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.175 20.817 -2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.202 18.360 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.146 19.252 0.393 1.00 0.00 H new ATOM 346 N ASN A 26 6.491 17.074 -4.390 1.00 0.00 N ATOM 347 CA ASN A 26 6.438 15.623 -4.257 1.00 0.00 C ATOM 348 C ASN A 26 5.862 15.222 -2.902 1.00 0.00 C ATOM 349 O ASN A 26 5.626 16.069 -2.041 1.00 0.00 O ATOM 350 CB ASN A 26 7.836 15.023 -4.427 1.00 0.00 C ATOM 351 CG ASN A 26 8.913 15.877 -3.785 1.00 0.00 C ATOM 352 OD1 ASN A 26 9.011 15.955 -2.560 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.727 16.522 -4.612 1.00 0.00 N ATOM 0 H ASN A 26 7.398 17.485 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 26 5.785 15.235 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.856 14.026 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.052 14.908 -5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.471 17.112 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.609 16.428 -5.621 1.00 0.00 H new ATOM 360 N TYR A 27 5.638 13.925 -2.722 1.00 0.00 N ATOM 361 CA TYR A 27 5.087 13.411 -1.473 1.00 0.00 C ATOM 362 C TYR A 27 6.185 13.224 -0.430 1.00 0.00 C ATOM 363 O TYR A 27 5.970 13.448 0.760 1.00 0.00 O ATOM 364 CB TYR A 27 4.368 12.083 -1.717 1.00 0.00 C ATOM 365 CG TYR A 27 2.901 12.240 -2.044 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.006 12.728 -1.099 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.408 11.902 -3.299 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.664 12.872 -1.393 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.068 12.045 -3.602 1.00 0.00 C ATOM 370 CZ TYR A 27 0.200 12.530 -2.646 1.00 0.00 C ATOM 371 OH TYR A 27 -1.136 12.674 -2.944 1.00 0.00 O ATOM 0 H TYR A 27 5.829 13.211 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 27 4.371 14.140 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.860 11.558 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.469 11.457 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.366 12.999 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.084 11.521 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.018 13.250 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.702 11.778 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.539 13.326 -2.334 1.00 0.00 H new ATOM 381 N GLY A 28 7.363 12.812 -0.888 1.00 0.00 N ATOM 382 CA GLY A 28 8.478 12.602 0.017 1.00 0.00 C ATOM 383 C GLY A 28 8.909 11.150 0.080 1.00 0.00 C ATOM 384 O GLY A 28 10.064 10.850 0.381 1.00 0.00 O ATOM 0 H GLY A 28 7.565 12.620 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.321 13.214 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.200 12.939 1.016 1.00 0.00 H new ATOM 388 N PHE A 29 7.977 10.245 -0.204 1.00 0.00 N ATOM 389 CA PHE A 29 8.266 8.816 -0.176 1.00 0.00 C ATOM 390 C PHE A 29 8.288 8.238 -1.588 1.00 0.00 C ATOM 391 O PHE A 29 7.775 8.846 -2.528 1.00 0.00 O ATOM 392 CB PHE A 29 7.226 8.081 0.672 1.00 0.00 C ATOM 393 CG PHE A 29 5.940 7.812 -0.056 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.963 8.791 -0.148 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.708 6.581 -0.648 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.779 8.547 -0.818 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.526 6.332 -1.319 1.00 0.00 C ATOM 398 CZ PHE A 29 3.559 7.315 -1.403 1.00 0.00 C ATOM 0 H PHE A 29 7.016 10.476 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 29 9.251 8.678 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.648 7.134 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.013 8.671 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.129 9.755 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.459 5.808 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.026 9.319 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.358 5.369 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.633 7.121 -1.925 1.00 0.00 H new ATOM 408 N PHE A 30 8.886 7.060 -1.729 1.00 0.00 N ATOM 409 CA PHE A 30 8.977 6.399 -3.026 1.00 0.00 C ATOM 410 C PHE A 30 8.654 4.913 -2.903 1.00 0.00 C ATOM 411 O PHE A 30 8.651 4.355 -1.805 1.00 0.00 O ATOM 412 CB PHE A 30 10.376 6.582 -3.618 1.00 0.00 C ATOM 413 CG PHE A 30 10.790 8.020 -3.746 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.336 8.793 -4.802 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.634 8.597 -2.811 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.715 10.117 -4.923 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.015 9.921 -2.926 1.00 0.00 C ATOM 418 CZ PHE A 30 11.557 10.681 -3.984 1.00 0.00 C ATOM 0 H PHE A 30 9.315 6.543 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 30 8.246 6.857 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.098 6.059 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.410 6.114 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.678 8.356 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.998 8.006 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.353 10.710 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.670 10.361 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.856 11.714 -4.077 1.00 0.00 H new ATOM 428 N LEU A 31 8.381 4.278 -4.037 1.00 0.00 N ATOM 429 CA LEU A 31 8.056 2.856 -4.058 1.00 0.00 C ATOM 430 C LEU A 31 9.253 2.030 -4.519 1.00 0.00 C ATOM 431 O LEU A 31 9.670 2.114 -5.674 1.00 0.00 O ATOM 432 CB LEU A 31 6.861 2.600 -4.978 1.00 0.00 C ATOM 433 CG LEU A 31 5.556 3.299 -4.594 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.612 3.359 -5.785 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.895 2.588 -3.423 1.00 0.00 C ATOM 0 H LEU A 31 8.378 4.725 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 31 7.798 2.552 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.132 2.910 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.678 1.526 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 31 5.789 4.319 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.689 3.860 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.084 3.913 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.385 2.347 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.968 3.099 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.676 1.557 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.567 2.598 -2.565 1.00 0.00 H new ATOM 447 N ARG A 32 9.800 1.231 -3.609 1.00 0.00 N ATOM 448 CA ARG A 32 10.948 0.389 -3.922 1.00 0.00 C ATOM 449 C ARG A 32 10.541 -1.079 -3.999 1.00 0.00 C ATOM 450 O ARG A 32 9.521 -1.481 -3.438 1.00 0.00 O ATOM 451 CB ARG A 32 12.043 0.571 -2.869 1.00 0.00 C ATOM 452 CG ARG A 32 12.563 1.996 -2.771 1.00 0.00 C ATOM 453 CD ARG A 32 13.544 2.309 -3.890 1.00 0.00 C ATOM 454 NE ARG A 32 14.757 1.501 -3.797 1.00 0.00 N ATOM 455 CZ ARG A 32 15.905 1.830 -4.377 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.997 2.946 -5.088 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.965 1.043 -4.247 1.00 0.00 N ATOM 0 H ARG A 32 9.466 1.149 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 32 11.335 0.692 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.655 0.267 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.874 -0.095 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.726 2.693 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.051 2.141 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.064 2.133 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.809 3.366 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 32 14.720 0.637 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.184 3.554 -5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.880 3.196 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.899 0.184 -3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.846 1.297 -4.693 1.00 0.00 H new ATOM 471 N ILE A 33 11.344 -1.875 -4.697 1.00 0.00 N ATOM 472 CA ILE A 33 11.067 -3.298 -4.847 1.00 0.00 C ATOM 473 C ILE A 33 12.139 -4.141 -4.166 1.00 0.00 C ATOM 474 O ILE A 33 13.315 -3.780 -4.160 1.00 0.00 O ATOM 475 CB ILE A 33 10.978 -3.701 -6.331 1.00 0.00 C ATOM 476 CG1 ILE A 33 12.285 -3.365 -7.052 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.803 -3.004 -7.000 1.00 0.00 C ATOM 478 CD1 ILE A 33 12.525 -4.203 -8.288 1.00 0.00 C ATOM 0 H ILE A 33 12.192 -1.558 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 33 10.105 -3.484 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 33 10.818 -4.778 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.275 -2.312 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.117 -3.503 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.754 -3.299 -8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.878 -3.289 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.934 -1.924 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.469 -3.911 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.567 -5.256 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.712 -4.047 -8.997 1.00 0.00 H new ATOM 490 N GLU A 34 11.724 -5.268 -3.594 1.00 0.00 N ATOM 491 CA GLU A 34 12.650 -6.163 -2.911 1.00 0.00 C ATOM 492 C GLU A 34 12.529 -7.586 -3.450 1.00 0.00 C ATOM 493 O GLU A 34 11.500 -7.964 -4.011 1.00 0.00 O ATOM 494 CB GLU A 34 12.387 -6.152 -1.404 1.00 0.00 C ATOM 495 CG GLU A 34 13.620 -6.455 -0.569 1.00 0.00 C ATOM 496 CD GLU A 34 14.523 -5.248 -0.404 1.00 0.00 C ATOM 497 OE1 GLU A 34 14.703 -4.504 -1.391 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.051 -5.049 0.710 1.00 0.00 O ATOM 0 H GLU A 34 10.753 -5.582 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 34 13.663 -5.807 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.996 -5.175 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.613 -6.884 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.310 -6.810 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.182 -7.263 -1.037 1.00 0.00 H new ATOM 505 N LYS A 35 13.587 -8.370 -3.275 1.00 0.00 N ATOM 506 CA LYS A 35 13.601 -9.752 -3.742 1.00 0.00 C ATOM 507 C LYS A 35 12.854 -10.661 -2.772 1.00 0.00 C ATOM 508 O LYS A 35 12.797 -10.392 -1.572 1.00 0.00 O ATOM 509 CB LYS A 35 15.041 -10.240 -3.910 1.00 0.00 C ATOM 510 CG LYS A 35 15.147 -11.720 -4.237 1.00 0.00 C ATOM 511 CD LYS A 35 14.757 -12.001 -5.678 1.00 0.00 C ATOM 512 CE LYS A 35 15.958 -11.919 -6.607 1.00 0.00 C ATOM 513 NZ LYS A 35 16.948 -12.996 -6.331 1.00 0.00 N ATOM 0 H LYS A 35 14.446 -8.072 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 35 13.097 -9.789 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.520 -9.666 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.594 -10.039 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.168 -12.060 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.502 -12.289 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.309 -12.992 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.999 -11.285 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.622 -11.991 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.438 -10.947 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.493 -13.196 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.594 -12.688 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.449 -13.857 -6.030 1.00 0.00 H new ATOM 527 N ASP A 36 12.284 -11.739 -3.298 1.00 0.00 N ATOM 528 CA ASP A 36 11.543 -12.691 -2.478 1.00 0.00 C ATOM 529 C ASP A 36 10.645 -11.964 -1.482 1.00 0.00 C ATOM 530 O ASP A 36 10.629 -12.286 -0.293 1.00 0.00 O ATOM 531 CB ASP A 36 12.508 -13.615 -1.734 1.00 0.00 C ATOM 532 CG ASP A 36 13.441 -12.857 -0.811 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.017 -12.519 0.314 1.00 0.00 O ATOM 534 OD2 ASP A 36 14.595 -12.600 -1.214 1.00 0.00 O ATOM 0 H ASP A 36 12.321 -11.976 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 36 10.915 -13.290 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.937 -14.340 -1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.097 -14.179 -2.458 1.00 0.00 H new ATOM 539 N THR A 37 9.897 -10.981 -1.974 1.00 0.00 N ATOM 540 CA THR A 37 8.998 -10.207 -1.127 1.00 0.00 C ATOM 541 C THR A 37 7.707 -9.866 -1.863 1.00 0.00 C ATOM 542 O THR A 37 7.712 -9.647 -3.074 1.00 0.00 O ATOM 543 CB THR A 37 9.662 -8.903 -0.647 1.00 0.00 C ATOM 544 OG1 THR A 37 10.826 -9.203 0.131 1.00 0.00 O ATOM 545 CG2 THR A 37 8.692 -8.075 0.182 1.00 0.00 C ATOM 0 H THR A 37 9.896 -10.702 -2.955 1.00 0.00 H new ATOM 0 HA THR A 37 8.766 -10.828 -0.261 1.00 0.00 H new ATOM 0 HB THR A 37 9.951 -8.325 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.513 -9.598 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.183 -7.159 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.820 -7.823 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.376 -8.649 1.053 1.00 0.00 H new ATOM 553 N ASP A 38 6.604 -9.822 -1.124 1.00 0.00 N ATOM 554 CA ASP A 38 5.306 -9.506 -1.706 1.00 0.00 C ATOM 555 C ASP A 38 4.935 -8.049 -1.448 1.00 0.00 C ATOM 556 O ASP A 38 5.505 -7.398 -0.573 1.00 0.00 O ATOM 557 CB ASP A 38 4.228 -10.428 -1.134 1.00 0.00 C ATOM 558 CG ASP A 38 4.185 -11.772 -1.834 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.195 -12.143 -2.469 1.00 0.00 O ATOM 560 OD2 ASP A 38 3.143 -12.454 -1.746 1.00 0.00 O ATOM 0 H ASP A 38 6.583 -10.001 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 38 5.371 -9.661 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.412 -10.581 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.255 -9.944 -1.223 1.00 0.00 H new ATOM 565 N GLY A 39 3.976 -7.542 -2.218 1.00 0.00 N ATOM 566 CA GLY A 39 3.547 -6.165 -2.058 1.00 0.00 C ATOM 567 C GLY A 39 4.679 -5.177 -2.260 1.00 0.00 C ATOM 568 O GLY A 39 5.847 -5.564 -2.314 1.00 0.00 O ATOM 0 H GLY A 39 3.489 -8.060 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.751 -5.951 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.127 -6.032 -1.061 1.00 0.00 H new ATOM 572 N HIS A 40 4.334 -3.899 -2.374 1.00 0.00 N ATOM 573 CA HIS A 40 5.330 -2.853 -2.573 1.00 0.00 C ATOM 574 C HIS A 40 5.841 -2.327 -1.235 1.00 0.00 C ATOM 575 O HIS A 40 5.060 -2.077 -0.316 1.00 0.00 O ATOM 576 CB HIS A 40 4.740 -1.705 -3.393 1.00 0.00 C ATOM 577 CG HIS A 40 4.911 -1.876 -4.871 1.00 0.00 C ATOM 578 ND1 HIS A 40 6.034 -1.457 -5.552 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.093 -2.425 -5.800 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.900 -1.739 -6.835 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.731 -2.328 -7.012 1.00 0.00 N ATOM 0 H HIS A 40 3.372 -3.563 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 40 6.169 -3.285 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.678 -1.616 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.211 -0.771 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.120 -2.858 -5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.623 -1.525 -7.608 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.362 -2.657 -7.904 1.00 0.00 H new ATOM 590 N LEU A 41 7.155 -2.162 -1.132 1.00 0.00 N ATOM 591 CA LEU A 41 7.770 -1.667 0.095 1.00 0.00 C ATOM 592 C LEU A 41 8.014 -0.163 0.013 1.00 0.00 C ATOM 593 O LEU A 41 8.378 0.360 -1.041 1.00 0.00 O ATOM 594 CB LEU A 41 9.089 -2.395 0.358 1.00 0.00 C ATOM 595 CG LEU A 41 8.996 -3.670 1.198 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.089 -4.650 0.803 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.083 -3.339 2.681 1.00 0.00 C ATOM 0 H LEU A 41 7.815 -2.364 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 41 7.084 -1.861 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.539 -2.648 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.769 -1.704 0.856 1.00 0.00 H new ATOM 0 HG LEU A 41 8.031 -4.139 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.007 -5.551 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.980 -4.912 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.065 -4.191 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.015 -4.258 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.033 -2.847 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.263 -2.675 2.954 1.00 0.00 H new ATOM 609 N ILE A 42 7.814 0.526 1.131 1.00 0.00 N ATOM 610 CA ILE A 42 8.016 1.968 1.186 1.00 0.00 C ATOM 611 C ILE A 42 9.305 2.315 1.922 1.00 0.00 C ATOM 612 O ILE A 42 9.410 2.126 3.135 1.00 0.00 O ATOM 613 CB ILE A 42 6.836 2.676 1.878 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.547 2.465 1.080 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.129 4.160 2.039 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.294 2.548 1.923 1.00 0.00 C ATOM 0 H ILE A 42 7.512 0.109 2.011 1.00 0.00 H new ATOM 0 HA ILE A 42 8.084 2.316 0.155 1.00 0.00 H new ATOM 0 HB ILE A 42 6.702 2.243 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.493 3.212 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.585 1.490 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.286 4.646 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.026 4.290 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.286 4.608 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.420 2.389 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.326 1.783 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.232 3.532 2.387 1.00 0.00 H new ATOM 628 N ARG A 43 10.284 2.826 1.182 1.00 0.00 N ATOM 629 CA ARG A 43 11.567 3.200 1.765 1.00 0.00 C ATOM 630 C ARG A 43 11.993 4.587 1.294 1.00 0.00 C ATOM 631 O ARG A 43 11.498 5.093 0.287 1.00 0.00 O ATOM 632 CB ARG A 43 12.638 2.173 1.396 1.00 0.00 C ATOM 633 CG ARG A 43 13.713 2.006 2.457 1.00 0.00 C ATOM 634 CD ARG A 43 15.019 1.513 1.854 1.00 0.00 C ATOM 635 NE ARG A 43 15.061 0.056 1.756 1.00 0.00 N ATOM 636 CZ ARG A 43 16.057 -0.613 1.184 1.00 0.00 C ATOM 637 NH1 ARG A 43 17.087 0.040 0.664 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.023 -1.939 1.133 1.00 0.00 N ATOM 0 H ARG A 43 10.213 2.990 0.178 1.00 0.00 H new ATOM 0 HA ARG A 43 11.453 3.222 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.160 1.209 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.108 2.471 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.880 2.958 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.372 1.301 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.147 1.947 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.853 1.860 2.464 1.00 0.00 H new ATOM 0 HE ARG A 43 14.284 -0.477 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.117 1.059 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.850 -0.476 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.232 -2.445 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.787 -2.452 0.694 1.00 0.00 H new ATOM 652 N VAL A 44 12.916 5.199 2.031 1.00 0.00 N ATOM 653 CA VAL A 44 13.410 6.527 1.689 1.00 0.00 C ATOM 654 C VAL A 44 12.378 7.600 2.021 1.00 0.00 C ATOM 655 O VAL A 44 12.020 8.415 1.171 1.00 0.00 O ATOM 656 CB VAL A 44 13.772 6.624 0.195 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.584 7.881 -0.077 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.529 5.383 -0.251 1.00 0.00 C ATOM 0 H VAL A 44 13.336 4.796 2.868 1.00 0.00 H new ATOM 0 HA VAL A 44 14.308 6.693 2.284 1.00 0.00 H new ATOM 0 HB VAL A 44 12.849 6.685 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.831 7.933 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.001 8.758 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.503 7.854 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.777 5.469 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.446 5.288 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.907 4.502 -0.094 1.00 0.00 H new ATOM 668 N ILE A 45 11.904 7.593 3.263 1.00 0.00 N ATOM 669 CA ILE A 45 10.915 8.566 3.708 1.00 0.00 C ATOM 670 C ILE A 45 11.585 9.841 4.208 1.00 0.00 C ATOM 671 O ILE A 45 12.061 9.901 5.341 1.00 0.00 O ATOM 672 CB ILE A 45 10.026 7.993 4.828 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.336 6.712 4.356 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.997 9.025 5.267 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.798 5.864 5.487 1.00 0.00 C ATOM 0 H ILE A 45 12.189 6.924 3.978 1.00 0.00 H new ATOM 0 HA ILE A 45 10.292 8.800 2.845 1.00 0.00 H new ATOM 0 HB ILE A 45 10.656 7.750 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.516 6.976 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.043 6.121 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.376 8.606 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.508 9.913 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.369 9.296 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.322 4.972 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.617 5.570 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.066 6.438 6.056 1.00 0.00 H new ATOM 687 N GLU A 46 11.616 10.861 3.355 1.00 0.00 N ATOM 688 CA GLU A 46 12.227 12.136 3.711 1.00 0.00 C ATOM 689 C GLU A 46 11.617 12.691 4.995 1.00 0.00 C ATOM 690 O GLU A 46 10.445 12.458 5.288 1.00 0.00 O ATOM 691 CB GLU A 46 12.054 13.145 2.574 1.00 0.00 C ATOM 692 CG GLU A 46 12.886 14.404 2.746 1.00 0.00 C ATOM 693 CD GLU A 46 14.332 14.210 2.332 1.00 0.00 C ATOM 694 OE1 GLU A 46 15.106 13.640 3.131 1.00 0.00 O ATOM 695 OE2 GLU A 46 14.690 14.626 1.211 1.00 0.00 O ATOM 0 H GLU A 46 11.225 10.829 2.413 1.00 0.00 H new ATOM 0 HA GLU A 46 13.291 11.966 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.323 12.668 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.002 13.422 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.448 15.208 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.850 14.719 3.789 1.00 0.00 H new ATOM 702 N GLU A 47 12.422 13.426 5.756 1.00 0.00 N ATOM 703 CA GLU A 47 11.962 14.013 7.009 1.00 0.00 C ATOM 704 C GLU A 47 10.994 15.163 6.748 1.00 0.00 C ATOM 705 O GLU A 47 10.962 15.727 5.655 1.00 0.00 O ATOM 706 CB GLU A 47 13.152 14.511 7.832 1.00 0.00 C ATOM 707 CG GLU A 47 12.809 14.802 9.283 1.00 0.00 C ATOM 708 CD GLU A 47 14.029 14.794 10.184 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.718 13.754 10.239 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.294 15.827 10.834 1.00 0.00 O ATOM 0 H GLU A 47 13.395 13.629 5.527 1.00 0.00 H new ATOM 0 HA GLU A 47 11.438 13.240 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.945 13.764 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.547 15.417 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.320 15.774 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.094 14.060 9.639 1.00 0.00 H new ATOM 717 N GLY A 48 10.203 15.506 7.761 1.00 0.00 N ATOM 718 CA GLY A 48 9.244 16.586 7.621 1.00 0.00 C ATOM 719 C GLY A 48 8.445 16.489 6.337 1.00 0.00 C ATOM 720 O GLY A 48 8.110 17.505 5.729 1.00 0.00 O ATOM 0 H GLY A 48 10.210 15.055 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.562 16.575 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.770 17.540 7.647 1.00 0.00 H new ATOM 724 N SER A 49 8.140 15.264 5.923 1.00 0.00 N ATOM 725 CA SER A 49 7.380 15.037 4.699 1.00 0.00 C ATOM 726 C SER A 49 5.955 14.597 5.019 1.00 0.00 C ATOM 727 O SER A 49 5.672 14.045 6.082 1.00 0.00 O ATOM 728 CB SER A 49 8.070 13.982 3.832 1.00 0.00 C ATOM 729 OG SER A 49 7.604 12.681 4.145 1.00 0.00 O ATOM 0 H SER A 49 8.407 14.413 6.417 1.00 0.00 H new ATOM 0 HA SER A 49 7.337 15.976 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.885 14.194 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.148 14.032 3.983 1.00 0.00 H new ATOM 0 HG SER A 49 8.309 12.184 4.610 1.00 0.00 H new ATOM 735 N PRO A 50 5.034 14.846 4.076 1.00 0.00 N ATOM 736 CA PRO A 50 3.622 14.483 4.233 1.00 0.00 C ATOM 737 C PRO A 50 3.403 12.975 4.187 1.00 0.00 C ATOM 738 O PRO A 50 2.324 12.485 4.521 1.00 0.00 O ATOM 739 CB PRO A 50 2.947 15.158 3.036 1.00 0.00 C ATOM 740 CG PRO A 50 4.025 15.285 2.015 1.00 0.00 C ATOM 741 CD PRO A 50 5.300 15.501 2.784 1.00 0.00 C ATOM 0 HA PRO A 50 3.225 14.799 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.116 14.561 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.542 16.133 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.088 14.387 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.829 16.120 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.156 15.056 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.519 16.561 2.909 1.00 0.00 H new ATOM 749 N ALA A 51 4.432 12.244 3.772 1.00 0.00 N ATOM 750 CA ALA A 51 4.352 10.791 3.685 1.00 0.00 C ATOM 751 C ALA A 51 4.418 10.154 5.069 1.00 0.00 C ATOM 752 O ALA A 51 3.655 9.239 5.378 1.00 0.00 O ATOM 753 CB ALA A 51 5.467 10.253 2.801 1.00 0.00 C ATOM 0 H ALA A 51 5.331 12.634 3.491 1.00 0.00 H new ATOM 0 HA ALA A 51 3.392 10.531 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.395 9.167 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.374 10.675 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.433 10.531 3.223 1.00 0.00 H new ATOM 759 N GLU A 52 5.335 10.644 5.898 1.00 0.00 N ATOM 760 CA GLU A 52 5.500 10.120 7.249 1.00 0.00 C ATOM 761 C GLU A 52 4.356 10.572 8.152 1.00 0.00 C ATOM 762 O GLU A 52 3.784 9.775 8.895 1.00 0.00 O ATOM 763 CB GLU A 52 6.838 10.575 7.836 1.00 0.00 C ATOM 764 CG GLU A 52 7.163 9.937 9.177 1.00 0.00 C ATOM 765 CD GLU A 52 7.514 8.467 9.053 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.355 8.129 8.195 1.00 0.00 O ATOM 767 OE2 GLU A 52 6.947 7.655 9.814 1.00 0.00 O ATOM 0 H GLU A 52 5.974 11.402 5.658 1.00 0.00 H new ATOM 0 HA GLU A 52 5.487 9.032 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.634 10.340 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.824 11.659 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.997 10.469 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.309 10.048 9.845 1.00 0.00 H new ATOM 774 N LYS A 53 4.028 11.858 8.082 1.00 0.00 N ATOM 775 CA LYS A 53 2.952 12.418 8.891 1.00 0.00 C ATOM 776 C LYS A 53 1.756 11.472 8.937 1.00 0.00 C ATOM 777 O LYS A 53 1.033 11.419 9.931 1.00 0.00 O ATOM 778 CB LYS A 53 2.520 13.776 8.332 1.00 0.00 C ATOM 779 CG LYS A 53 3.459 14.912 8.699 1.00 0.00 C ATOM 780 CD LYS A 53 2.805 16.267 8.488 1.00 0.00 C ATOM 781 CE LYS A 53 2.074 16.734 9.737 1.00 0.00 C ATOM 782 NZ LYS A 53 1.821 18.201 9.716 1.00 0.00 N ATOM 0 H LYS A 53 4.492 12.532 7.473 1.00 0.00 H new ATOM 0 HA LYS A 53 3.326 12.551 9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.453 13.708 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.520 14.009 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.763 14.812 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.364 14.846 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.564 17.000 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.104 16.208 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.126 16.203 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.662 16.480 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.321 18.480 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.727 18.709 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.238 18.441 8.889 1.00 0.00 H new ATOM 796 N ALA A 54 1.555 10.726 7.855 1.00 0.00 N ATOM 797 CA ALA A 54 0.450 9.780 7.775 1.00 0.00 C ATOM 798 C ALA A 54 0.822 8.446 8.413 1.00 0.00 C ATOM 799 O ALA A 54 0.365 7.390 7.977 1.00 0.00 O ATOM 800 CB ALA A 54 0.034 9.577 6.325 1.00 0.00 C ATOM 0 H ALA A 54 2.143 10.759 7.022 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.392 10.195 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.793 8.868 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.282 10.530 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.878 9.188 5.755 1.00 0.00 H new ATOM 806 N GLY A 55 1.655 8.501 9.448 1.00 0.00 N ATOM 807 CA GLY A 55 2.074 7.290 10.128 1.00 0.00 C ATOM 808 C GLY A 55 2.753 6.307 9.195 1.00 0.00 C ATOM 809 O GLY A 55 2.768 5.103 9.454 1.00 0.00 O ATOM 0 H GLY A 55 2.047 9.363 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.757 7.549 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.206 6.814 10.583 1.00 0.00 H new ATOM 813 N LEU A 56 3.314 6.818 8.105 1.00 0.00 N ATOM 814 CA LEU A 56 3.997 5.976 7.129 1.00 0.00 C ATOM 815 C LEU A 56 5.462 5.784 7.505 1.00 0.00 C ATOM 816 O LEU A 56 6.242 6.737 7.514 1.00 0.00 O ATOM 817 CB LEU A 56 3.894 6.594 5.733 1.00 0.00 C ATOM 818 CG LEU A 56 3.991 5.619 4.559 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.772 4.711 4.517 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.140 6.377 3.248 1.00 0.00 C ATOM 0 H LEU A 56 3.309 7.812 7.875 1.00 0.00 H new ATOM 0 HA LEU A 56 3.512 5.000 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.944 7.124 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.684 7.338 5.628 1.00 0.00 H new ATOM 0 HG LEU A 56 4.876 4.998 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.859 4.024 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.710 4.142 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.872 5.315 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.208 5.668 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.275 7.023 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.045 6.984 3.280 1.00 0.00 H new ATOM 832 N LEU A 57 5.831 4.546 7.813 1.00 0.00 N ATOM 833 CA LEU A 57 7.204 4.227 8.188 1.00 0.00 C ATOM 834 C LEU A 57 7.877 3.373 7.118 1.00 0.00 C ATOM 835 O LEU A 57 7.214 2.839 6.229 1.00 0.00 O ATOM 836 CB LEU A 57 7.230 3.496 9.532 1.00 0.00 C ATOM 837 CG LEU A 57 6.819 4.320 10.752 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.304 4.402 10.856 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.411 3.725 12.022 1.00 0.00 C ATOM 0 H LEU A 57 5.198 3.746 7.810 1.00 0.00 H new ATOM 0 HA LEU A 57 7.756 5.162 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.571 2.630 9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.239 3.117 9.697 1.00 0.00 H new ATOM 0 HG LEU A 57 7.209 5.331 10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.031 4.992 11.731 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.903 4.874 9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.891 3.398 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.108 4.325 12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.051 2.704 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.499 3.720 11.949 1.00 0.00 H new ATOM 851 N ASP A 58 9.196 3.247 7.212 1.00 0.00 N ATOM 852 CA ASP A 58 9.958 2.454 6.254 1.00 0.00 C ATOM 853 C ASP A 58 9.867 0.968 6.584 1.00 0.00 C ATOM 854 O ASP A 58 10.248 0.538 7.672 1.00 0.00 O ATOM 855 CB ASP A 58 11.422 2.898 6.243 1.00 0.00 C ATOM 856 CG ASP A 58 12.250 2.189 7.297 1.00 0.00 C ATOM 857 OD1 ASP A 58 12.631 1.023 7.066 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.517 2.801 8.352 1.00 0.00 O ATOM 0 H ASP A 58 9.760 3.684 7.941 1.00 0.00 H new ATOM 0 HA ASP A 58 9.530 2.615 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.850 2.705 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.474 3.974 6.408 1.00 0.00 H new ATOM 863 N GLY A 59 9.358 0.186 5.636 1.00 0.00 N ATOM 864 CA GLY A 59 9.225 -1.243 5.846 1.00 0.00 C ATOM 865 C GLY A 59 7.781 -1.703 5.809 1.00 0.00 C ATOM 866 O GLY A 59 7.464 -2.812 6.239 1.00 0.00 O ATOM 0 H GLY A 59 9.036 0.517 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.792 -1.774 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.663 -1.508 6.808 1.00 0.00 H new ATOM 870 N ASP A 60 6.903 -0.848 5.296 1.00 0.00 N ATOM 871 CA ASP A 60 5.484 -1.172 5.205 1.00 0.00 C ATOM 872 C ASP A 60 5.124 -1.648 3.802 1.00 0.00 C ATOM 873 O ASP A 60 5.783 -1.289 2.826 1.00 0.00 O ATOM 874 CB ASP A 60 4.636 0.046 5.577 1.00 0.00 C ATOM 875 CG ASP A 60 4.914 0.537 6.984 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.039 -0.309 7.894 1.00 0.00 O ATOM 877 OD2 ASP A 60 5.007 1.767 7.175 1.00 0.00 O ATOM 0 H ASP A 60 7.149 0.074 4.937 1.00 0.00 H new ATOM 0 HA ASP A 60 5.275 -1.979 5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.832 0.851 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.580 -0.209 5.486 1.00 0.00 H new ATOM 882 N ARG A 61 4.075 -2.459 3.709 1.00 0.00 N ATOM 883 CA ARG A 61 3.629 -2.987 2.425 1.00 0.00 C ATOM 884 C ARG A 61 2.262 -2.423 2.051 1.00 0.00 C ATOM 885 O ARG A 61 1.287 -2.592 2.783 1.00 0.00 O ATOM 886 CB ARG A 61 3.567 -4.515 2.471 1.00 0.00 C ATOM 887 CG ARG A 61 4.932 -5.182 2.420 1.00 0.00 C ATOM 888 CD ARG A 61 5.615 -5.157 3.779 1.00 0.00 C ATOM 889 NE ARG A 61 6.959 -5.725 3.726 1.00 0.00 N ATOM 890 CZ ARG A 61 7.210 -7.028 3.799 1.00 0.00 C ATOM 891 NH1 ARG A 61 6.212 -7.892 3.927 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.460 -7.468 3.744 1.00 0.00 N ATOM 0 H ARG A 61 3.518 -2.765 4.507 1.00 0.00 H new ATOM 0 HA ARG A 61 4.349 -2.682 1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.056 -4.822 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.966 -4.871 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.822 -6.214 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.559 -4.675 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.670 -4.129 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.014 -5.714 4.497 1.00 0.00 H new ATOM 0 HE ARG A 61 7.749 -5.087 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.250 -7.557 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.407 -8.892 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.230 -6.806 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.651 -8.468 3.800 1.00 0.00 H new ATOM 906 N VAL A 62 2.197 -1.751 0.905 1.00 0.00 N ATOM 907 CA VAL A 62 0.950 -1.163 0.433 1.00 0.00 C ATOM 908 C VAL A 62 0.066 -2.210 -0.234 1.00 0.00 C ATOM 909 O VAL A 62 0.424 -2.773 -1.270 1.00 0.00 O ATOM 910 CB VAL A 62 1.211 -0.017 -0.563 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.114 -0.488 -1.694 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.101 0.524 -1.108 1.00 0.00 C ATOM 0 H VAL A 62 2.994 -1.601 0.287 1.00 0.00 H new ATOM 0 HA VAL A 62 0.438 -0.764 1.308 1.00 0.00 H new ATOM 0 HB VAL A 62 1.719 0.790 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.287 0.335 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.066 -0.823 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.636 -1.313 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.102 1.333 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.639 -0.274 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.709 0.902 -0.286 1.00 0.00 H new ATOM 922 N LEU A 63 -1.092 -2.467 0.364 1.00 0.00 N ATOM 923 CA LEU A 63 -2.029 -3.448 -0.172 1.00 0.00 C ATOM 924 C LEU A 63 -2.741 -2.902 -1.406 1.00 0.00 C ATOM 925 O LEU A 63 -2.622 -3.456 -2.499 1.00 0.00 O ATOM 926 CB LEU A 63 -3.057 -3.836 0.893 1.00 0.00 C ATOM 927 CG LEU A 63 -2.496 -4.168 2.276 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.505 -3.818 3.359 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.112 -5.638 2.358 1.00 0.00 C ATOM 0 H LEU A 63 -1.405 -2.010 1.220 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.464 -4.333 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.768 -3.017 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.616 -4.700 0.533 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.599 -3.570 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.089 -4.061 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.731 -2.752 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.420 -4.389 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.715 -5.856 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.992 -6.255 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.353 -5.858 1.607 1.00 0.00 H new ATOM 941 N ARG A 64 -3.479 -1.812 -1.224 1.00 0.00 N ATOM 942 CA ARG A 64 -4.209 -1.191 -2.322 1.00 0.00 C ATOM 943 C ARG A 64 -3.742 0.245 -2.542 1.00 0.00 C ATOM 944 O ARG A 64 -3.512 0.986 -1.586 1.00 0.00 O ATOM 945 CB ARG A 64 -5.713 -1.213 -2.041 1.00 0.00 C ATOM 946 CG ARG A 64 -6.323 -2.603 -2.099 1.00 0.00 C ATOM 947 CD ARG A 64 -7.782 -2.554 -2.526 1.00 0.00 C ATOM 948 NE ARG A 64 -8.278 -3.866 -2.931 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.356 -4.043 -3.687 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.046 -2.996 -4.119 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.745 -5.269 -4.014 1.00 0.00 N ATOM 0 H ARG A 64 -3.587 -1.341 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.008 -1.763 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.896 -0.786 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.219 -0.573 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.759 -3.220 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.245 -3.077 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.388 -2.176 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.894 -1.853 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.769 -4.692 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.749 -2.052 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.873 -3.135 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.216 -6.077 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.573 -5.404 -4.594 1.00 0.00 H new ATOM 965 N ILE A 65 -3.604 0.630 -3.806 1.00 0.00 N ATOM 966 CA ILE A 65 -3.166 1.977 -4.150 1.00 0.00 C ATOM 967 C ILE A 65 -4.307 2.789 -4.754 1.00 0.00 C ATOM 968 O ILE A 65 -4.919 2.380 -5.740 1.00 0.00 O ATOM 969 CB ILE A 65 -1.989 1.949 -5.143 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.086 3.166 -4.932 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.504 1.907 -6.574 1.00 0.00 C ATOM 972 CD1 ILE A 65 -1.819 4.486 -5.023 1.00 0.00 C ATOM 0 H ILE A 65 -3.789 0.028 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.839 2.449 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.402 1.049 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.611 3.090 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.289 3.150 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.660 1.888 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.110 1.012 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.111 2.791 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.117 5.304 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.271 4.584 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.598 4.523 -4.261 1.00 0.00 H new ATOM 984 N ASN A 66 -4.585 3.943 -4.157 1.00 0.00 N ATOM 985 CA ASN A 66 -5.652 4.814 -4.636 1.00 0.00 C ATOM 986 C ASN A 66 -6.914 4.013 -4.938 1.00 0.00 C ATOM 987 O ASN A 66 -7.740 4.419 -5.755 1.00 0.00 O ATOM 988 CB ASN A 66 -5.200 5.566 -5.890 1.00 0.00 C ATOM 989 CG ASN A 66 -5.965 6.859 -6.096 1.00 0.00 C ATOM 990 OD1 ASN A 66 -6.680 7.018 -7.086 1.00 0.00 O ATOM 991 ND2 ASN A 66 -5.818 7.789 -5.160 1.00 0.00 N ATOM 0 H ASN A 66 -4.086 4.297 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.880 5.534 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.135 5.785 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.333 4.926 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.308 8.679 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.215 7.613 -4.357 1.00 0.00 H new ATOM 998 N GLY A 67 -7.058 2.871 -4.272 1.00 0.00 N ATOM 999 CA GLY A 67 -8.222 2.030 -4.482 1.00 0.00 C ATOM 1000 C GLY A 67 -8.002 0.997 -5.569 1.00 0.00 C ATOM 1001 O GLY A 67 -8.946 0.583 -6.242 1.00 0.00 O ATOM 0 H GLY A 67 -6.389 2.513 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.474 1.524 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.075 2.655 -4.746 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.752 0.579 -5.742 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.411 -0.413 -6.755 1.00 0.00 C ATOM 1007 C VAL A 68 -5.410 -1.428 -6.215 1.00 0.00 C ATOM 1008 O VAL A 68 -4.253 -1.097 -5.955 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.824 0.251 -8.015 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.467 -0.800 -9.055 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.801 1.268 -8.585 1.00 0.00 C ATOM 0 H VAL A 68 -5.959 0.912 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.336 -0.925 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.910 0.776 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.054 -0.312 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.728 -1.486 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.363 -1.356 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.370 1.727 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.733 0.769 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.001 2.038 -7.840 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.862 -2.666 -6.049 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.006 -3.731 -5.540 1.00 0.00 C ATOM 1023 C PHE A 69 -3.743 -3.865 -6.385 1.00 0.00 C ATOM 1024 O PHE A 69 -3.810 -4.131 -7.585 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.764 -5.060 -5.522 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.042 -6.152 -4.786 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -4.686 -5.992 -3.457 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.721 -7.340 -5.423 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.021 -6.995 -2.777 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.057 -8.347 -4.748 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.707 -8.174 -3.423 1.00 0.00 C ATOM 0 H PHE A 69 -6.817 -2.957 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.715 -3.473 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.740 -4.906 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.943 -5.381 -6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.931 -5.073 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.993 -7.481 -6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.747 -6.857 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.812 -9.268 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.189 -8.960 -2.893 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.590 -3.677 -5.750 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.311 -3.777 -6.442 1.00 0.00 C ATOM 1043 C VAL A 70 -0.346 -4.682 -5.685 1.00 0.00 C ATOM 1044 O VAL A 70 0.642 -4.217 -5.117 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.662 -2.392 -6.624 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.455 -1.557 -7.619 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.548 -1.676 -5.286 1.00 0.00 C ATOM 0 H VAL A 70 -2.516 -3.455 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.514 -4.207 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 70 0.343 -2.531 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.982 -0.582 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.479 -2.065 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.473 -1.425 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.087 -0.699 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.541 -1.547 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.067 -2.268 -4.608 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.638 -5.978 -5.682 1.00 0.00 N ATOM 1058 CA ASP A 71 0.205 -6.950 -4.996 1.00 0.00 C ATOM 1059 C ASP A 71 1.178 -7.608 -5.970 1.00 0.00 C ATOM 1060 O ASP A 71 2.380 -7.675 -5.713 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.657 -8.017 -4.319 1.00 0.00 C ATOM 1062 CG ASP A 71 -1.444 -8.845 -5.317 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -1.936 -8.268 -6.308 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.567 -10.070 -5.105 1.00 0.00 O ATOM 0 H ASP A 71 -1.452 -6.380 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 71 0.780 -6.422 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.019 -8.675 -3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.347 -7.536 -3.626 1.00 0.00 H new ATOM 1069 N LYS A 72 0.651 -8.094 -7.088 1.00 0.00 N ATOM 1070 CA LYS A 72 1.472 -8.747 -8.101 1.00 0.00 C ATOM 1071 C LYS A 72 1.816 -7.779 -9.228 1.00 0.00 C ATOM 1072 O LYS A 72 2.755 -8.009 -9.990 1.00 0.00 O ATOM 1073 CB LYS A 72 0.744 -9.968 -8.668 1.00 0.00 C ATOM 1074 CG LYS A 72 1.033 -11.253 -7.912 1.00 0.00 C ATOM 1075 CD LYS A 72 2.325 -11.898 -8.384 1.00 0.00 C ATOM 1076 CE LYS A 72 2.651 -13.147 -7.578 1.00 0.00 C ATOM 1077 NZ LYS A 72 1.641 -14.221 -7.787 1.00 0.00 N ATOM 0 H LYS A 72 -0.342 -8.048 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 72 2.399 -9.072 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.330 -9.780 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.029 -10.098 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.099 -11.041 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.206 -11.950 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.239 -12.157 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.143 -11.183 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.637 -13.515 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.698 -12.894 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.975 -15.102 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.739 -13.938 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.503 -14.375 -8.806 1.00 0.00 H new ATOM 1091 N GLU A 73 1.052 -6.696 -9.327 1.00 0.00 N ATOM 1092 CA GLU A 73 1.279 -5.693 -10.362 1.00 0.00 C ATOM 1093 C GLU A 73 2.726 -5.208 -10.342 1.00 0.00 C ATOM 1094 O GLU A 73 3.406 -5.298 -9.320 1.00 0.00 O ATOM 1095 CB GLU A 73 0.330 -4.508 -10.171 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.088 -4.781 -10.646 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.228 -4.678 -12.153 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.199 -3.543 -12.674 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.368 -5.730 -12.810 1.00 0.00 O ATOM 0 H GLU A 73 0.271 -6.490 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 73 1.082 -6.155 -11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.305 -4.240 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.725 -3.646 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.390 -5.778 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.769 -4.073 -10.172 1.00 0.00 H new ATOM 1106 N GLU A 74 3.188 -4.696 -11.478 1.00 0.00 N ATOM 1107 CA GLU A 74 4.554 -4.199 -11.591 1.00 0.00 C ATOM 1108 C GLU A 74 4.628 -2.722 -11.212 1.00 0.00 C ATOM 1109 O GLU A 74 3.650 -1.986 -11.342 1.00 0.00 O ATOM 1110 CB GLU A 74 5.076 -4.397 -13.016 1.00 0.00 C ATOM 1111 CG GLU A 74 4.448 -3.457 -14.031 1.00 0.00 C ATOM 1112 CD GLU A 74 4.726 -3.874 -15.462 1.00 0.00 C ATOM 1113 OE1 GLU A 74 5.111 -5.043 -15.674 1.00 0.00 O ATOM 1114 OE2 GLU A 74 4.559 -3.033 -16.369 1.00 0.00 O ATOM 0 H GLU A 74 2.637 -4.614 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 74 5.178 -4.766 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.157 -4.254 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.889 -5.426 -13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.371 -3.421 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.828 -2.448 -13.870 1.00 0.00 H new ATOM 1121 N HIS A 75 5.796 -2.297 -10.740 1.00 0.00 N ATOM 1122 CA HIS A 75 6.000 -0.909 -10.341 1.00 0.00 C ATOM 1123 C HIS A 75 5.426 0.046 -11.384 1.00 0.00 C ATOM 1124 O HIS A 75 4.537 0.844 -11.087 1.00 0.00 O ATOM 1125 CB HIS A 75 7.489 -0.627 -10.140 1.00 0.00 C ATOM 1126 CG HIS A 75 7.791 0.808 -9.836 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.166 1.511 -8.828 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.659 1.671 -10.413 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.636 2.746 -8.799 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.543 2.869 -9.750 1.00 0.00 N ATOM 0 H HIS A 75 6.615 -2.894 -10.625 1.00 0.00 H new ATOM 0 HA HIS A 75 5.477 -0.747 -9.398 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.861 -1.249 -9.326 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.031 -0.921 -11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.320 1.458 -11.240 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.330 3.523 -8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.072 3.716 -9.959 1.00 0.00 H new ATOM 1139 N ALA A 76 5.940 -0.042 -12.606 1.00 0.00 N ATOM 1140 CA ALA A 76 5.478 0.813 -13.693 1.00 0.00 C ATOM 1141 C ALA A 76 3.965 0.992 -13.645 1.00 0.00 C ATOM 1142 O ALA A 76 3.458 2.103 -13.796 1.00 0.00 O ATOM 1143 CB ALA A 76 5.900 0.235 -15.035 1.00 0.00 C ATOM 0 H ALA A 76 6.677 -0.697 -12.868 1.00 0.00 H new ATOM 0 HA ALA A 76 5.938 1.794 -13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.548 0.884 -15.837 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.987 0.165 -15.075 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.468 -0.758 -15.156 1.00 0.00 H new ATOM 1149 N GLN A 77 3.249 -0.108 -13.433 1.00 0.00 N ATOM 1150 CA GLN A 77 1.793 -0.071 -13.367 1.00 0.00 C ATOM 1151 C GLN A 77 1.324 0.741 -12.164 1.00 0.00 C ATOM 1152 O GLN A 77 0.365 1.508 -12.255 1.00 0.00 O ATOM 1153 CB GLN A 77 1.229 -1.490 -13.290 1.00 0.00 C ATOM 1154 CG GLN A 77 0.974 -2.118 -14.651 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.173 -1.459 -15.392 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -1.336 -1.816 -15.201 1.00 0.00 O ATOM 1157 NE2 GLN A 77 0.149 -0.492 -16.243 1.00 0.00 N ATOM 0 H GLN A 77 3.654 -1.035 -13.304 1.00 0.00 H new ATOM 0 HA GLN A 77 1.425 0.410 -14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.924 -2.119 -12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.296 -1.471 -12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.879 -2.048 -15.254 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.757 -3.178 -14.523 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.126 -0.229 -16.370 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.581 -0.012 -16.770 1.00 0.00 H new ATOM 1166 N VAL A 78 2.006 0.567 -11.036 1.00 0.00 N ATOM 1167 CA VAL A 78 1.659 1.285 -9.815 1.00 0.00 C ATOM 1168 C VAL A 78 1.996 2.767 -9.933 1.00 0.00 C ATOM 1169 O VAL A 78 1.113 3.622 -9.872 1.00 0.00 O ATOM 1170 CB VAL A 78 2.392 0.699 -8.593 1.00 0.00 C ATOM 1171 CG1 VAL A 78 2.006 1.450 -7.328 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.091 -0.786 -8.453 1.00 0.00 C ATOM 0 H VAL A 78 2.801 -0.065 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 78 0.584 1.171 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 78 3.465 0.817 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.533 1.022 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.276 2.501 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.931 1.366 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.617 -1.184 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.018 -0.929 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.422 -1.310 -9.349 1.00 0.00 H new ATOM 1182 N VAL A 79 3.281 3.064 -10.104 1.00 0.00 N ATOM 1183 CA VAL A 79 3.735 4.443 -10.232 1.00 0.00 C ATOM 1184 C VAL A 79 2.790 5.254 -11.112 1.00 0.00 C ATOM 1185 O VAL A 79 2.699 6.474 -10.982 1.00 0.00 O ATOM 1186 CB VAL A 79 5.155 4.513 -10.824 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.211 3.797 -12.165 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.603 5.960 -10.964 1.00 0.00 C ATOM 0 H VAL A 79 4.025 2.368 -10.157 1.00 0.00 H new ATOM 0 HA VAL A 79 3.746 4.867 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 79 5.839 4.009 -10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.222 3.857 -12.568 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.936 2.751 -12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.515 4.269 -12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.608 5.991 -11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.918 6.491 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.604 6.437 -9.984 1.00 0.00 H new ATOM 1198 N GLU A 80 2.087 4.566 -12.007 1.00 0.00 N ATOM 1199 CA GLU A 80 1.148 5.223 -12.908 1.00 0.00 C ATOM 1200 C GLU A 80 -0.126 5.623 -12.169 1.00 0.00 C ATOM 1201 O GLU A 80 -0.665 6.711 -12.381 1.00 0.00 O ATOM 1202 CB GLU A 80 0.803 4.303 -14.081 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.182 4.913 -15.064 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.873 3.870 -15.920 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -1.481 2.941 -15.349 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.806 3.983 -17.162 1.00 0.00 O ATOM 0 H GLU A 80 2.150 3.555 -12.127 1.00 0.00 H new ATOM 0 HA GLU A 80 1.624 6.126 -13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.720 4.045 -14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.387 3.373 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.932 5.482 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.343 5.617 -15.709 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.603 4.737 -11.302 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.814 4.996 -10.531 1.00 0.00 C ATOM 1215 C LEU A 81 -1.579 6.096 -9.501 1.00 0.00 C ATOM 1216 O LEU A 81 -2.387 7.014 -9.363 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.280 3.718 -9.832 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.737 2.581 -10.747 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.855 1.281 -9.966 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.061 2.929 -11.411 1.00 0.00 C ATOM 0 H LEU A 81 -0.170 3.833 -11.115 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.590 5.329 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.465 3.351 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.102 3.973 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.988 2.445 -11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.181 0.484 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.885 1.023 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.583 1.403 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.370 2.108 -12.058 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.820 3.093 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.943 3.835 -12.005 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.466 5.997 -8.781 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.122 6.985 -7.766 1.00 0.00 C ATOM 1234 C VAL A 82 -0.211 8.401 -8.324 1.00 0.00 C ATOM 1235 O VAL A 82 -0.712 9.310 -7.662 1.00 0.00 O ATOM 1236 CB VAL A 82 1.296 6.751 -7.212 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.675 7.852 -6.233 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.391 5.384 -6.553 1.00 0.00 C ATOM 0 H VAL A 82 0.213 5.242 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.843 6.871 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 82 2.001 6.778 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.680 7.670 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.649 8.816 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.968 7.860 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.400 5.235 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.676 5.325 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.165 4.610 -7.287 1.00 0.00 H new ATOM 1248 N ARG A 83 0.278 8.581 -9.547 1.00 0.00 N ATOM 1249 CA ARG A 83 0.255 9.886 -10.195 1.00 0.00 C ATOM 1250 C ARG A 83 -1.176 10.315 -10.503 1.00 0.00 C ATOM 1251 O ARG A 83 -1.642 11.351 -10.027 1.00 0.00 O ATOM 1252 CB ARG A 83 1.078 9.854 -11.484 1.00 0.00 C ATOM 1253 CG ARG A 83 2.568 9.664 -11.251 1.00 0.00 C ATOM 1254 CD ARG A 83 3.322 9.514 -12.563 1.00 0.00 C ATOM 1255 NE ARG A 83 3.393 8.122 -12.998 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.102 7.714 -14.045 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.797 8.587 -14.760 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.117 6.429 -14.378 1.00 0.00 N ATOM 0 H ARG A 83 0.695 7.839 -10.109 1.00 0.00 H new ATOM 0 HA ARG A 83 0.694 10.611 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.712 9.047 -12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.920 10.785 -12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.963 10.517 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.731 8.781 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.832 10.110 -13.333 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.331 9.910 -12.448 1.00 0.00 H new ATOM 0 HE ARG A 83 2.870 7.424 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.789 9.575 -14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.340 8.271 -15.563 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.584 5.754 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.662 6.117 -15.182 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.870 9.512 -11.303 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.249 9.806 -11.674 1.00 0.00 C ATOM 1274 C LYS A 84 -4.090 10.120 -10.441 1.00 0.00 C ATOM 1275 O LYS A 84 -4.945 11.004 -10.470 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.857 8.625 -12.434 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.082 8.240 -13.682 1.00 0.00 C ATOM 1278 CD LYS A 84 -3.522 6.887 -14.216 1.00 0.00 C ATOM 1279 CE LYS A 84 -4.688 7.023 -15.184 1.00 0.00 C ATOM 1280 NZ LYS A 84 -4.288 7.713 -16.441 1.00 0.00 N ATOM 0 H LYS A 84 -1.499 8.652 -11.707 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.246 10.683 -12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.908 7.763 -11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.881 8.873 -12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.226 9.000 -14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.016 8.214 -13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.685 6.403 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.810 6.243 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.080 6.034 -15.422 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.494 7.579 -14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.947 7.455 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.313 8.742 -16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.324 7.424 -16.704 1.00 0.00 H new ATOM 1294 N SER A 85 -3.840 9.389 -9.359 1.00 0.00 N ATOM 1295 CA SER A 85 -4.577 9.588 -8.116 1.00 0.00 C ATOM 1296 C SER A 85 -4.901 11.064 -7.907 1.00 0.00 C ATOM 1297 O SER A 85 -6.066 11.448 -7.809 1.00 0.00 O ATOM 1298 CB SER A 85 -3.769 9.058 -6.930 1.00 0.00 C ATOM 1299 OG SER A 85 -3.527 7.668 -7.058 1.00 0.00 O ATOM 0 H SER A 85 -3.134 8.654 -9.318 1.00 0.00 H new ATOM 0 HA SER A 85 -5.514 9.035 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.820 9.591 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.308 9.253 -6.003 1.00 0.00 H new ATOM 0 HG SER A 85 -2.800 7.520 -7.698 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.860 11.888 -7.839 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.053 13.313 -7.642 1.00 0.00 C ATOM 1307 C GLY A 86 -3.413 13.813 -6.362 1.00 0.00 C ATOM 1308 O GLY A 86 -2.730 13.062 -5.668 1.00 0.00 O ATOM 0 H GLY A 86 -2.886 11.594 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.633 13.854 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.120 13.532 -7.621 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.633 15.086 -6.050 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.071 15.686 -4.846 1.00 0.00 C ATOM 1314 C ASN A 87 -3.298 14.788 -3.633 1.00 0.00 C ATOM 1315 O ASN A 87 -2.465 14.728 -2.728 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.692 17.062 -4.599 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.544 17.987 -5.792 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.118 17.745 -6.853 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.769 19.052 -5.622 1.00 0.00 N ATOM 0 H ASN A 87 -4.197 15.722 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.997 15.801 -4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.750 16.943 -4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.222 17.519 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.630 19.709 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.313 19.213 -4.724 1.00 0.00 H new ATOM 1326 N SER A 88 -4.429 14.092 -3.623 1.00 0.00 N ATOM 1327 CA SER A 88 -4.768 13.199 -2.521 1.00 0.00 C ATOM 1328 C SER A 88 -4.653 11.739 -2.949 1.00 0.00 C ATOM 1329 O SER A 88 -5.133 11.353 -4.015 1.00 0.00 O ATOM 1330 CB SER A 88 -6.185 13.486 -2.021 1.00 0.00 C ATOM 1331 OG SER A 88 -6.448 12.797 -0.811 1.00 0.00 O ATOM 0 H SER A 88 -5.127 14.129 -4.366 1.00 0.00 H new ATOM 0 HA SER A 88 -4.061 13.378 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.310 14.558 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.909 13.186 -2.779 1.00 0.00 H new ATOM 0 HG SER A 88 -5.613 12.685 -0.310 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.012 10.931 -2.110 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.834 9.514 -2.400 1.00 0.00 C ATOM 1339 C VAL A 89 -4.127 8.661 -1.170 1.00 0.00 C ATOM 1340 O VAL A 89 -3.878 9.076 -0.038 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.404 9.216 -2.888 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.299 7.785 -3.394 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -1.995 10.204 -3.971 1.00 0.00 C ATOM 0 H VAL A 89 -3.608 11.234 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.540 9.262 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.720 9.329 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.281 7.593 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.548 7.095 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.992 7.640 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.982 9.979 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.681 10.124 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.029 11.217 -3.571 1.00 0.00 H new ATOM 1353 N THR A 90 -4.659 7.464 -1.400 1.00 0.00 N ATOM 1354 CA THR A 90 -4.987 6.551 -0.312 1.00 0.00 C ATOM 1355 C THR A 90 -4.146 5.282 -0.386 1.00 0.00 C ATOM 1356 O THR A 90 -3.971 4.703 -1.459 1.00 0.00 O ATOM 1357 CB THR A 90 -6.478 6.167 -0.332 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.288 7.347 -0.387 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.844 5.353 0.900 1.00 0.00 C ATOM 0 H THR A 90 -4.872 7.105 -2.331 1.00 0.00 H new ATOM 0 HA THR A 90 -4.767 7.075 0.618 1.00 0.00 H new ATOM 0 HB THR A 90 -6.661 5.559 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.235 7.094 -0.401 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.902 5.094 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.247 4.441 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.645 5.940 1.796 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.627 4.854 0.759 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.804 3.652 0.824 1.00 0.00 C ATOM 1369 C LEU A 91 -3.153 2.819 2.054 1.00 0.00 C ATOM 1370 O LEU A 91 -3.212 3.335 3.170 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.321 4.026 0.852 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.829 4.904 -0.299 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.482 5.582 0.070 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.666 4.079 -1.567 1.00 0.00 C ATOM 0 H LEU A 91 -3.762 5.322 1.655 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.005 3.055 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.114 4.542 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.735 3.107 0.858 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.575 5.677 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.817 6.203 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.334 6.205 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.236 4.824 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.315 4.720 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.060 3.284 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.625 3.641 -1.842 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.382 1.527 1.841 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.723 0.621 2.932 1.00 0.00 C ATOM 1388 C LEU A 92 -2.512 -0.206 3.352 1.00 0.00 C ATOM 1389 O LEU A 92 -2.080 -1.105 2.630 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.867 -0.304 2.515 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.257 0.331 2.457 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.145 -0.417 1.476 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.889 0.355 3.841 1.00 0.00 C ATOM 0 H LEU A 92 -3.338 1.084 0.923 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.042 1.222 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.636 -0.714 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.901 -1.143 3.210 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.153 1.359 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.130 0.049 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.699 -0.382 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.244 -1.455 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.878 0.810 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.981 -0.664 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.262 0.936 4.517 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.969 0.102 4.525 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.809 -0.615 5.043 1.00 0.00 C ATOM 1407 C VAL A 93 -1.212 -1.583 6.150 1.00 0.00 C ATOM 1408 O VAL A 93 -1.953 -1.224 7.065 1.00 0.00 O ATOM 1409 CB VAL A 93 0.254 0.357 5.588 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.779 1.253 4.476 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.317 1.187 6.728 1.00 0.00 C ATOM 0 H VAL A 93 -2.313 0.843 5.135 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.385 -1.176 4.210 1.00 0.00 H new ATOM 0 HB VAL A 93 1.089 -0.226 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.529 1.933 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.229 0.639 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.044 1.830 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.448 1.868 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.170 1.762 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.638 0.527 7.533 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.717 -2.813 6.060 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.024 -3.835 7.055 1.00 0.00 C ATOM 1423 C LEU A 94 0.165 -4.069 7.981 1.00 0.00 C ATOM 1424 O LEU A 94 1.307 -3.770 7.629 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.414 -5.144 6.366 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.989 -6.234 7.272 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.395 -5.866 7.722 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.990 -7.577 6.556 1.00 0.00 C ATOM 0 H LEU A 94 -0.102 -3.126 5.309 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.863 -3.483 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.147 -4.919 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.533 -5.544 5.864 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.357 -6.317 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.789 -6.653 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.366 -4.926 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.039 -5.755 6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.402 -8.341 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.599 -7.508 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.969 -7.845 6.284 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.109 -4.606 9.164 1.00 0.00 N ATOM 1441 CA ASP A 95 0.939 -4.883 10.140 1.00 0.00 C ATOM 1442 C ASP A 95 1.724 -6.133 9.753 1.00 0.00 C ATOM 1443 O ASP A 95 1.152 -7.121 9.297 1.00 0.00 O ATOM 1444 CB ASP A 95 0.334 -5.056 11.534 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.589 -3.915 11.911 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -0.087 -2.885 12.408 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -1.814 -4.050 11.707 1.00 0.00 O ATOM 0 H ASP A 95 -1.048 -4.859 9.471 1.00 0.00 H new ATOM 0 HA ASP A 95 1.624 -4.035 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.219 -5.995 11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.136 -5.128 12.268 1.00 0.00 H new ATOM 1452 N GLY A 96 3.039 -6.080 9.939 1.00 0.00 N ATOM 1453 CA GLY A 96 3.882 -7.213 9.604 1.00 0.00 C ATOM 1454 C GLY A 96 3.320 -8.525 10.115 1.00 0.00 C ATOM 1455 O GLY A 96 2.933 -9.390 9.330 1.00 0.00 O ATOM 0 H GLY A 96 3.536 -5.273 10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.998 -7.268 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.876 -7.059 10.024 1.00 0.00 H new ATOM 1459 N ASP A 97 3.276 -8.674 11.434 1.00 0.00 N ATOM 1460 CA ASP A 97 2.758 -9.890 12.050 1.00 0.00 C ATOM 1461 C ASP A 97 1.565 -10.430 11.267 1.00 0.00 C ATOM 1462 O ASP A 97 1.563 -11.583 10.837 1.00 0.00 O ATOM 1463 CB ASP A 97 2.352 -9.620 13.500 1.00 0.00 C ATOM 1464 CG ASP A 97 3.516 -9.760 14.462 1.00 0.00 C ATOM 1465 OD1 ASP A 97 3.877 -10.908 14.793 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.064 -8.720 14.885 1.00 0.00 O ATOM 0 H ASP A 97 3.593 -7.967 12.098 1.00 0.00 H new ATOM 0 HA ASP A 97 3.549 -10.640 12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.939 -8.614 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.561 -10.312 13.788 1.00 0.00 H new ATOM 1471 N SER A 98 0.553 -9.588 11.087 1.00 0.00 N ATOM 1472 CA SER A 98 -0.649 -9.982 10.360 1.00 0.00 C ATOM 1473 C SER A 98 -0.303 -10.437 8.945 1.00 0.00 C ATOM 1474 O SER A 98 -0.468 -11.608 8.600 1.00 0.00 O ATOM 1475 CB SER A 98 -1.642 -8.819 10.305 1.00 0.00 C ATOM 1476 OG SER A 98 -2.250 -8.609 11.567 1.00 0.00 O ATOM 0 H SER A 98 0.541 -8.629 11.434 1.00 0.00 H new ATOM 0 HA SER A 98 -1.107 -10.817 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.127 -7.911 9.990 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.409 -9.026 9.558 1.00 0.00 H new ATOM 0 HG SER A 98 -2.879 -7.860 11.506 1.00 0.00 H new ATOM 1482 N TYR A 99 0.178 -9.504 8.131 1.00 0.00 N ATOM 1483 CA TYR A 99 0.545 -9.807 6.753 1.00 0.00 C ATOM 1484 C TYR A 99 1.200 -11.181 6.654 1.00 0.00 C ATOM 1485 O TYR A 99 0.831 -11.997 5.809 1.00 0.00 O ATOM 1486 CB TYR A 99 1.493 -8.737 6.209 1.00 0.00 C ATOM 1487 CG TYR A 99 1.718 -8.830 4.716 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.365 -9.926 4.158 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.282 -7.822 3.865 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.573 -10.014 2.795 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.485 -7.903 2.500 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.131 -9.001 1.971 1.00 0.00 C ATOM 1493 OH TYR A 99 2.335 -9.086 0.612 1.00 0.00 O ATOM 0 H TYR A 99 0.323 -8.531 8.402 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.366 -9.815 6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.091 -7.752 6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.453 -8.821 6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.711 -10.722 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.776 -6.961 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.079 -10.872 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.140 -7.111 1.852 1.00 0.00 H new ATOM 0 HH TYR A 99 1.963 -8.292 0.175 1.00 0.00 H new ATOM 1503 N GLU A 100 2.174 -11.430 7.524 1.00 0.00 N ATOM 1504 CA GLU A 100 2.881 -12.705 7.534 1.00 0.00 C ATOM 1505 C GLU A 100 1.910 -13.864 7.739 1.00 0.00 C ATOM 1506 O GLU A 100 2.000 -14.892 7.067 1.00 0.00 O ATOM 1507 CB GLU A 100 3.944 -12.715 8.635 1.00 0.00 C ATOM 1508 CG GLU A 100 5.011 -11.648 8.460 1.00 0.00 C ATOM 1509 CD GLU A 100 6.128 -11.768 9.478 1.00 0.00 C ATOM 1510 OE1 GLU A 100 5.851 -11.599 10.684 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.279 -12.029 9.069 1.00 0.00 O ATOM 0 H GLU A 100 2.491 -10.766 8.230 1.00 0.00 H new ATOM 0 HA GLU A 100 3.368 -12.829 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.457 -12.575 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.422 -13.694 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.430 -11.720 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.552 -10.663 8.544 1.00 0.00 H new ATOM 1518 N LYS A 101 0.981 -13.691 8.673 1.00 0.00 N ATOM 1519 CA LYS A 101 -0.009 -14.721 8.969 1.00 0.00 C ATOM 1520 C LYS A 101 -0.903 -14.979 7.760 1.00 0.00 C ATOM 1521 O LYS A 101 -1.248 -16.122 7.465 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.863 -14.307 10.169 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.640 -15.456 10.788 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.349 -15.027 12.062 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.445 -15.169 13.277 1.00 0.00 C ATOM 1526 NZ LYS A 101 -2.050 -14.556 14.492 1.00 0.00 N ATOM 0 H LYS A 101 0.893 -12.847 9.239 1.00 0.00 H new ATOM 0 HA LYS A 101 0.522 -15.642 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.218 -13.865 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.563 -13.533 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.372 -15.830 10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.960 -16.279 11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.674 -13.991 11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.246 -15.631 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.249 -16.225 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.484 -14.697 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.404 -14.673 15.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.214 -13.543 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.955 -15.023 14.703 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.273 -13.909 7.064 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.123 -14.020 5.886 1.00 0.00 C ATOM 1542 C ALA A 102 -1.361 -14.632 4.715 1.00 0.00 C ATOM 1543 O ALA A 102 -1.619 -15.769 4.320 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.676 -12.656 5.503 1.00 0.00 C ATOM 0 H ALA A 102 -0.997 -12.955 7.296 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.955 -14.681 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.309 -12.755 4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.264 -12.257 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.851 -11.978 5.284 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.422 -13.870 4.163 1.00 0.00 N ATOM 1551 CA VAL A 103 0.377 -14.338 3.037 1.00 0.00 C ATOM 1552 C VAL A 103 0.656 -15.833 3.144 1.00 0.00 C ATOM 1553 O VAL A 103 0.586 -16.561 2.154 1.00 0.00 O ATOM 1554 CB VAL A 103 1.717 -13.582 2.948 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.524 -13.774 4.222 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.507 -14.041 1.732 1.00 0.00 C ATOM 0 H VAL A 103 -0.196 -12.926 4.477 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.203 -14.144 2.135 1.00 0.00 H new ATOM 0 HB VAL A 103 1.508 -12.518 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.467 -13.233 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.959 -13.392 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.726 -14.835 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.450 -13.497 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.708 -15.109 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.930 -13.846 0.828 1.00 0.00 H new ATOM 1566 N LYS A 104 0.972 -16.285 4.353 1.00 0.00 N ATOM 1567 CA LYS A 104 1.260 -17.694 4.592 1.00 0.00 C ATOM 1568 C LYS A 104 0.027 -18.553 4.330 1.00 0.00 C ATOM 1569 O LYS A 104 0.109 -19.588 3.669 1.00 0.00 O ATOM 1570 CB LYS A 104 1.743 -17.900 6.029 1.00 0.00 C ATOM 1571 CG LYS A 104 3.178 -17.459 6.258 1.00 0.00 C ATOM 1572 CD LYS A 104 4.168 -18.456 5.680 1.00 0.00 C ATOM 1573 CE LYS A 104 5.591 -18.150 6.121 1.00 0.00 C ATOM 1574 NZ LYS A 104 6.178 -17.019 5.351 1.00 0.00 N ATOM 0 H LYS A 104 1.035 -15.695 5.183 1.00 0.00 H new ATOM 0 HA LYS A 104 2.047 -18.001 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.090 -17.348 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.651 -18.955 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.336 -16.482 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.358 -17.345 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.897 -19.464 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.111 -18.437 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.598 -17.908 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.210 -19.038 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.148 -16.841 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.195 -17.259 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.602 -16.165 5.494 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.114 -18.116 4.852 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.365 -18.846 4.673 1.00 0.00 C ATOM 1590 C ASN A 105 -3.011 -18.498 3.336 1.00 0.00 C ATOM 1591 O ASN A 105 -4.197 -18.749 3.125 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.331 -18.531 5.817 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.690 -18.707 7.180 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.933 -19.651 7.405 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.993 -17.796 8.098 1.00 0.00 N ATOM 0 H ASN A 105 -1.199 -17.261 5.402 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.139 -19.912 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.688 -17.506 5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.203 -19.181 5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.593 -17.863 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.626 -17.030 7.867 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.223 -17.919 2.436 1.00 0.00 N ATOM 1603 CA GLN A 106 -2.719 -17.537 1.120 1.00 0.00 C ATOM 1604 C GLN A 106 -4.109 -16.918 1.220 1.00 0.00 C ATOM 1605 O GLN A 106 -5.001 -17.240 0.435 1.00 0.00 O ATOM 1606 CB GLN A 106 -2.754 -18.752 0.192 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.417 -19.055 -0.465 1.00 0.00 C ATOM 1608 CD GLN A 106 -0.971 -17.960 -1.413 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -1.212 -18.030 -2.618 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -0.315 -16.939 -0.872 1.00 0.00 N ATOM 0 H GLN A 106 -1.239 -17.704 2.594 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.039 -16.792 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.076 -19.624 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.501 -18.585 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.660 -19.192 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.490 -19.996 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.137 -16.922 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.010 -16.172 -1.461 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.287 -16.029 2.192 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.569 -15.365 2.395 1.00 0.00 C ATOM 1621 C VAL A 107 -5.660 -14.082 1.577 1.00 0.00 C ATOM 1622 O VAL A 107 -4.771 -13.232 1.635 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.799 -15.030 3.881 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.112 -14.284 4.064 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.775 -16.297 4.722 1.00 0.00 C ATOM 0 H VAL A 107 -3.560 -15.752 2.851 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.340 -16.060 2.063 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.991 -14.381 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.257 -14.056 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.086 -13.356 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.935 -14.905 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.939 -16.042 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.562 -16.972 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.807 -16.786 4.615 1.00 0.00 H new ATOM 1635 N ASP A 108 -6.739 -13.948 0.814 1.00 0.00 N ATOM 1636 CA ASP A 108 -6.947 -12.768 -0.017 1.00 0.00 C ATOM 1637 C ASP A 108 -6.693 -11.492 0.780 1.00 0.00 C ATOM 1638 O ASP A 108 -7.439 -11.165 1.704 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.369 -12.758 -0.580 1.00 0.00 C ATOM 1640 CG ASP A 108 -8.711 -14.042 -1.310 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -7.938 -14.438 -2.208 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -9.751 -14.651 -0.984 1.00 0.00 O ATOM 0 H ASP A 108 -7.484 -14.642 0.754 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.238 -12.806 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.078 -12.606 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.481 -11.915 -1.262 1.00 0.00 H new ATOM 1647 N LEU A 109 -5.636 -10.774 0.417 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.282 -9.534 1.098 1.00 0.00 C ATOM 1649 C LEU A 109 -5.991 -8.342 0.462 1.00 0.00 C ATOM 1650 O LEU A 109 -6.458 -7.440 1.157 1.00 0.00 O ATOM 1651 CB LEU A 109 -3.768 -9.321 1.060 1.00 0.00 C ATOM 1652 CG LEU A 109 -2.947 -10.167 2.034 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -1.463 -10.056 1.717 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.220 -9.744 3.469 1.00 0.00 C ATOM 0 H LEU A 109 -5.009 -11.030 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.605 -9.614 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.418 -9.525 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.564 -8.270 1.262 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.245 -11.209 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.894 -10.664 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.280 -10.408 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.150 -9.015 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.627 -10.357 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.950 -8.696 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.279 -9.876 3.692 1.00 0.00 H new ATOM 1666 N LYS A 110 -6.069 -8.346 -0.864 1.00 0.00 N ATOM 1667 CA LYS A 110 -6.723 -7.268 -1.596 1.00 0.00 C ATOM 1668 C LYS A 110 -8.032 -6.868 -0.921 1.00 0.00 C ATOM 1669 O LYS A 110 -8.404 -5.695 -0.916 1.00 0.00 O ATOM 1670 CB LYS A 110 -6.993 -7.694 -3.041 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.890 -8.914 -3.158 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.629 -9.677 -4.446 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.213 -8.954 -5.650 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.695 -9.087 -5.711 1.00 0.00 N ATOM 0 H LYS A 110 -5.687 -9.085 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.055 -6.406 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.453 -6.863 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.043 -7.903 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.724 -9.572 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.934 -8.604 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.555 -9.805 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.063 -10.674 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.945 -7.899 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.774 -9.356 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.038 -8.731 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.958 -10.088 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.125 -8.535 -4.941 1.00 0.00 H new ATOM 1688 N GLU A 111 -8.722 -7.850 -0.350 1.00 0.00 N ATOM 1689 CA GLU A 111 -9.988 -7.599 0.328 1.00 0.00 C ATOM 1690 C GLU A 111 -9.810 -6.585 1.454 1.00 0.00 C ATOM 1691 O GLU A 111 -10.657 -5.714 1.661 1.00 0.00 O ATOM 1692 CB GLU A 111 -10.560 -8.903 0.888 1.00 0.00 C ATOM 1693 CG GLU A 111 -10.786 -9.972 -0.169 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.820 -10.998 0.251 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.025 -10.670 0.225 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -11.425 -12.128 0.605 1.00 0.00 O ATOM 0 H GLU A 111 -8.426 -8.826 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.686 -7.188 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.881 -9.292 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.506 -8.691 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.106 -9.498 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.843 -10.477 -0.378 1.00 0.00 H new ATOM 1703 N LEU A 112 -8.704 -6.703 2.179 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.413 -5.798 3.286 1.00 0.00 C ATOM 1705 C LEU A 112 -8.714 -4.353 2.900 1.00 0.00 C ATOM 1706 O LEU A 112 -7.919 -3.703 2.220 1.00 0.00 O ATOM 1707 CB LEU A 112 -6.949 -5.931 3.708 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.471 -7.346 4.036 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -4.951 -7.411 4.028 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.019 -7.795 5.383 1.00 0.00 C ATOM 0 H LEU A 112 -7.993 -7.417 2.021 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.052 -6.072 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.324 -5.534 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.785 -5.302 4.583 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.847 -8.023 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.629 -8.425 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.580 -7.132 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.553 -6.722 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.669 -8.804 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.673 -7.115 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.109 -7.788 5.353 1.00 0.00 H new ATOM 1722 N ASP A 113 -9.864 -3.856 3.340 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.268 -2.486 3.044 1.00 0.00 C ATOM 1724 C ASP A 113 -11.179 -1.939 4.138 1.00 0.00 C ATOM 1725 O ASP A 113 -12.333 -2.350 4.261 1.00 0.00 O ATOM 1726 CB ASP A 113 -10.981 -2.423 1.692 1.00 0.00 C ATOM 1727 CG ASP A 113 -10.107 -2.913 0.553 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -8.974 -2.406 0.414 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -10.556 -3.803 -0.198 1.00 0.00 O ATOM 0 H ASP A 113 -10.533 -4.381 3.903 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.370 -1.870 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.889 -3.025 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.289 -1.396 1.494 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.652 -1.013 4.932 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.417 -0.412 6.018 1.00 0.00 C ATOM 1736 C GLN A 114 -12.676 0.265 5.486 1.00 0.00 C ATOM 1737 O GLN A 114 -13.648 0.456 6.219 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.559 0.603 6.774 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.645 -0.027 7.813 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.317 -0.183 9.163 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.879 0.770 9.704 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.264 -1.389 9.716 1.00 0.00 N ATOM 0 H GLN A 114 -9.698 -0.662 4.844 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.714 -1.206 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.953 1.159 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.212 1.324 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.318 -1.005 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.751 0.587 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.788 -2.151 9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -10.699 -1.553 10.624 1.00 0.00 H new