USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 557 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 Single : A 10 MET CE :methyl 171:sc= -3.04 (180deg=-3.24) USER MOD Single : A 11 SER OG : rot -81:sc= 1.19 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 1.33 (180deg=1.19) USER MOD Single : A 17 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.72) USER MOD Single : A 19 SER OG : rot -66:sc= 1.24 USER MOD Single : A 23 ASN : amide:sc= 0.238! K(o=0.24!,f=-0.3) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0779 (180deg=-0.471) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.096) USER MOD Single : A 35 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.51 K(o=-3.5,f=-6.7!) USER MOD Single : A 39 SER OG : rot -82:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 63 THR OG1 : rot 174:sc= 1.28 USER MOD Single : A 70 TYR OH : rot 172:sc= 1.26 USER MOD Single : A 72 THR OG1 : rot -7:sc= 1.22 USER MOD Single : A 73 SER OG : rot -47:sc= 1.28 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.525 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.414 6.656 -2.596 1.00 0.00 N ATOM 127 CA PRO A 9 -12.894 5.772 -3.645 1.00 0.00 C ATOM 128 C PRO A 9 -11.618 6.306 -4.286 1.00 0.00 C ATOM 129 O PRO A 9 -11.582 7.436 -4.776 1.00 0.00 O ATOM 130 CB PRO A 9 -14.031 5.709 -4.670 1.00 0.00 C ATOM 131 CG PRO A 9 -14.870 6.913 -4.406 1.00 0.00 C ATOM 132 CD PRO A 9 -14.736 7.206 -2.936 1.00 0.00 C ATOM 0 HA PRO A 9 -12.616 4.797 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.643 5.717 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.611 4.793 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.534 7.760 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.911 6.728 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.790 8.276 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.529 6.731 -2.358 1.00 0.00 H new ATOM 140 N MET A 10 -10.572 5.487 -4.276 1.00 0.00 N ATOM 141 CA MET A 10 -9.285 5.870 -4.845 1.00 0.00 C ATOM 142 C MET A 10 -9.319 5.709 -6.363 1.00 0.00 C ATOM 143 O MET A 10 -9.687 4.649 -6.870 1.00 0.00 O ATOM 144 CB MET A 10 -8.163 5.008 -4.259 1.00 0.00 C ATOM 145 CG MET A 10 -6.775 5.479 -4.646 1.00 0.00 C ATOM 146 SD MET A 10 -6.108 6.706 -3.511 1.00 0.00 S ATOM 147 CE MET A 10 -5.995 5.732 -2.022 1.00 0.00 C ATOM 0 H MET A 10 -10.591 4.548 -3.878 1.00 0.00 H new ATOM 0 HA MET A 10 -9.092 6.914 -4.597 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.247 5.005 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.295 3.978 -4.592 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.103 4.622 -4.682 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.807 5.901 -5.651 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.452 6.292 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.997 5.504 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.466 4.803 -2.234 1.00 0.00 H new ATOM 157 N SER A 11 -8.948 6.758 -7.087 1.00 0.00 N ATOM 158 CA SER A 11 -9.000 6.732 -8.547 1.00 0.00 C ATOM 159 C SER A 11 -7.771 6.033 -9.148 1.00 0.00 C ATOM 160 O SER A 11 -6.849 5.662 -8.419 1.00 0.00 O ATOM 161 CB SER A 11 -9.136 8.155 -9.096 1.00 0.00 C ATOM 162 OG SER A 11 -8.124 9.006 -8.584 1.00 0.00 O ATOM 0 H SER A 11 -8.609 7.635 -6.691 1.00 0.00 H new ATOM 0 HA SER A 11 -9.877 6.154 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.079 8.134 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.116 8.555 -8.836 1.00 0.00 H new ATOM 0 HG SER A 11 -8.375 9.309 -7.686 1.00 0.00 H new ATOM 168 N TYR A 12 -7.758 5.871 -10.474 1.00 0.00 N ATOM 169 CA TYR A 12 -6.702 5.123 -11.159 1.00 0.00 C ATOM 170 C TYR A 12 -5.324 5.743 -10.918 1.00 0.00 C ATOM 171 O TYR A 12 -4.390 5.050 -10.504 1.00 0.00 O ATOM 172 CB TYR A 12 -7.024 5.026 -12.667 1.00 0.00 C ATOM 173 CG TYR A 12 -5.821 5.129 -13.593 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.934 4.072 -13.745 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.582 6.290 -14.322 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.845 4.166 -14.588 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.496 6.390 -15.169 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.631 5.325 -15.297 1.00 0.00 C ATOM 179 OH TYR A 12 -2.545 5.424 -16.137 1.00 0.00 O ATOM 0 H TYR A 12 -8.471 6.250 -11.097 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.668 4.115 -10.745 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.527 4.077 -12.855 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.729 5.817 -12.924 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.099 3.159 -13.193 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.257 7.127 -14.224 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.164 3.334 -14.690 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.325 7.298 -15.728 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.540 6.307 -16.563 1.00 0.00 H new ATOM 189 N GLU A 13 -5.203 7.042 -11.159 1.00 0.00 N ATOM 190 CA GLU A 13 -3.933 7.735 -10.986 1.00 0.00 C ATOM 191 C GLU A 13 -3.497 7.726 -9.534 1.00 0.00 C ATOM 192 O GLU A 13 -2.303 7.708 -9.234 1.00 0.00 O ATOM 193 CB GLU A 13 -4.038 9.168 -11.498 1.00 0.00 C ATOM 194 CG GLU A 13 -3.744 9.285 -12.979 1.00 0.00 C ATOM 195 CD GLU A 13 -2.278 9.066 -13.272 1.00 0.00 C ATOM 196 OE1 GLU A 13 -1.505 10.046 -13.220 1.00 0.00 O ATOM 197 OE2 GLU A 13 -1.882 7.915 -13.536 1.00 0.00 O ATOM 0 H GLU A 13 -5.969 7.637 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.178 7.206 -11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.041 9.547 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.343 9.799 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.339 8.555 -13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.044 10.271 -13.334 1.00 0.00 H new ATOM 204 N GLU A 14 -4.467 7.714 -8.639 1.00 0.00 N ATOM 205 CA GLU A 14 -4.188 7.672 -7.225 1.00 0.00 C ATOM 206 C GLU A 14 -3.636 6.314 -6.836 1.00 0.00 C ATOM 207 O GLU A 14 -2.668 6.226 -6.096 1.00 0.00 O ATOM 208 CB GLU A 14 -5.449 7.968 -6.434 1.00 0.00 C ATOM 209 CG GLU A 14 -5.840 9.433 -6.401 1.00 0.00 C ATOM 210 CD GLU A 14 -7.063 9.671 -5.541 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.183 9.341 -5.990 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.913 10.176 -4.408 1.00 0.00 O ATOM 0 H GLU A 14 -5.460 7.733 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.441 8.432 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.273 7.394 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.312 7.618 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.007 10.023 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.037 9.779 -7.416 1.00 0.00 H new ATOM 219 N LYS A 15 -4.263 5.257 -7.338 1.00 0.00 N ATOM 220 CA LYS A 15 -3.772 3.900 -7.111 1.00 0.00 C ATOM 221 C LYS A 15 -2.361 3.736 -7.676 1.00 0.00 C ATOM 222 O LYS A 15 -1.528 3.043 -7.092 1.00 0.00 O ATOM 223 CB LYS A 15 -4.703 2.860 -7.727 1.00 0.00 C ATOM 224 CG LYS A 15 -6.024 2.724 -7.012 1.00 0.00 C ATOM 225 CD LYS A 15 -7.093 2.240 -7.959 1.00 0.00 C ATOM 226 CE LYS A 15 -8.139 1.438 -7.222 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.104 0.789 -8.147 1.00 0.00 N ATOM 0 H LYS A 15 -5.110 5.311 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.745 3.738 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.890 3.125 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.201 1.893 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.924 2.026 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.315 3.685 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.562 3.092 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.643 1.628 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.649 0.675 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.679 2.091 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.943 0.483 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.389 1.466 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.656 -0.038 -8.592 1.00 0.00 H new ATOM 241 N ARG A 16 -2.094 4.376 -8.816 1.00 0.00 N ATOM 242 CA ARG A 16 -0.752 4.364 -9.389 1.00 0.00 C ATOM 243 C ARG A 16 0.216 5.105 -8.480 1.00 0.00 C ATOM 244 O ARG A 16 1.264 4.573 -8.122 1.00 0.00 O ATOM 245 CB ARG A 16 -0.711 4.984 -10.785 1.00 0.00 C ATOM 246 CG ARG A 16 0.662 4.853 -11.413 1.00 0.00 C ATOM 247 CD ARG A 16 0.782 5.563 -12.746 1.00 0.00 C ATOM 248 NE ARG A 16 0.461 6.988 -12.671 1.00 0.00 N ATOM 249 CZ ARG A 16 1.374 7.960 -12.625 1.00 0.00 C ATOM 250 NH1 ARG A 16 2.669 7.669 -12.586 1.00 0.00 N ATOM 251 NH2 ARG A 16 0.987 9.227 -12.636 1.00 0.00 N ATOM 0 H ARG A 16 -2.782 4.903 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.455 3.319 -9.478 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.451 4.498 -11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.985 6.037 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.407 5.255 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.892 3.796 -11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.798 5.445 -13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.118 5.085 -13.466 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.523 7.256 -12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.973 6.695 -12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.359 8.419 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.006 9.457 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.682 9.973 -12.601 1.00 0.00 H new ATOM 265 N GLN A 17 -0.141 6.326 -8.099 1.00 0.00 N ATOM 266 CA GLN A 17 0.702 7.126 -7.226 1.00 0.00 C ATOM 267 C GLN A 17 0.898 6.419 -5.888 1.00 0.00 C ATOM 268 O GLN A 17 1.968 6.488 -5.287 1.00 0.00 O ATOM 269 CB GLN A 17 0.095 8.512 -7.025 1.00 0.00 C ATOM 270 CG GLN A 17 1.078 9.502 -6.433 1.00 0.00 C ATOM 271 CD GLN A 17 2.295 9.712 -7.313 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.302 9.014 -7.182 1.00 0.00 O ATOM 273 NE2 GLN A 17 2.213 10.671 -8.218 1.00 0.00 N ATOM 0 H GLN A 17 -1.009 6.781 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 17 1.678 7.248 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.262 8.890 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.773 8.432 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.577 10.458 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.399 9.148 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.362 11.228 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.001 10.855 -8.839 1.00 0.00 H new ATOM 282 N LEU A 18 -0.143 5.717 -5.466 1.00 0.00 N ATOM 283 CA LEU A 18 -0.128 4.907 -4.252 1.00 0.00 C ATOM 284 C LEU A 18 0.941 3.822 -4.361 1.00 0.00 C ATOM 285 O LEU A 18 1.809 3.675 -3.509 1.00 0.00 O ATOM 286 CB LEU A 18 -1.498 4.254 -4.084 1.00 0.00 C ATOM 287 CG LEU A 18 -1.988 3.984 -2.669 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.196 3.083 -2.729 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.913 3.373 -1.798 1.00 0.00 C ATOM 0 H LEU A 18 -1.034 5.692 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 18 0.097 5.539 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.234 4.889 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.484 3.305 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.256 4.937 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.553 2.885 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.984 3.569 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.925 2.143 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.310 3.199 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.589 2.426 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.064 4.053 -1.737 1.00 0.00 H new ATOM 301 N SER A 19 0.871 3.059 -5.428 1.00 0.00 N ATOM 302 CA SER A 19 1.826 1.992 -5.668 1.00 0.00 C ATOM 303 C SER A 19 3.252 2.547 -5.744 1.00 0.00 C ATOM 304 O SER A 19 4.234 1.843 -5.483 1.00 0.00 O ATOM 305 CB SER A 19 1.449 1.269 -6.958 1.00 0.00 C ATOM 306 OG SER A 19 1.863 1.997 -8.104 1.00 0.00 O ATOM 0 H SER A 19 0.158 3.156 -6.151 1.00 0.00 H new ATOM 0 HA SER A 19 1.797 1.284 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.907 0.280 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.370 1.120 -6.991 1.00 0.00 H new ATOM 0 HG SER A 19 1.362 2.838 -8.156 1.00 0.00 H new ATOM 312 N LEU A 20 3.345 3.828 -6.063 1.00 0.00 N ATOM 313 CA LEU A 20 4.619 4.503 -6.220 1.00 0.00 C ATOM 314 C LEU A 20 5.120 5.056 -4.883 1.00 0.00 C ATOM 315 O LEU A 20 6.328 5.150 -4.659 1.00 0.00 O ATOM 316 CB LEU A 20 4.468 5.603 -7.265 1.00 0.00 C ATOM 317 CG LEU A 20 4.153 5.096 -8.666 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.128 6.242 -9.648 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.153 4.039 -9.085 1.00 0.00 C ATOM 0 H LEU A 20 2.536 4.429 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 20 5.370 3.790 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.675 6.281 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.390 6.184 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 20 3.164 4.638 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.902 5.862 -10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.363 6.959 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.101 6.733 -9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.913 3.688 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.156 4.465 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.111 3.202 -8.388 1.00 0.00 H new ATOM 331 N ASP A 21 4.194 5.418 -3.999 1.00 0.00 N ATOM 332 CA ASP A 21 4.544 5.830 -2.635 1.00 0.00 C ATOM 333 C ASP A 21 4.878 4.615 -1.771 1.00 0.00 C ATOM 334 O ASP A 21 5.774 4.670 -0.927 1.00 0.00 O ATOM 335 CB ASP A 21 3.445 6.687 -2.004 1.00 0.00 C ATOM 336 CG ASP A 21 2.113 5.992 -1.839 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.038 4.974 -1.131 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.134 6.493 -2.408 1.00 0.00 O ATOM 0 H ASP A 21 3.194 5.436 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 21 5.436 6.453 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.785 7.026 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.301 7.577 -2.617 1.00 0.00 H new ATOM 343 N ILE A 22 4.185 3.510 -2.006 1.00 0.00 N ATOM 344 CA ILE A 22 4.526 2.242 -1.384 1.00 0.00 C ATOM 345 C ILE A 22 5.926 1.817 -1.795 1.00 0.00 C ATOM 346 O ILE A 22 6.685 1.248 -1.010 1.00 0.00 O ATOM 347 CB ILE A 22 3.497 1.161 -1.781 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.358 1.140 -0.765 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.133 -0.217 -1.934 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.191 0.279 -1.187 1.00 0.00 C ATOM 0 H ILE A 22 3.378 3.468 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 22 4.503 2.363 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 22 3.095 1.420 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.740 0.778 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.008 2.159 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.368 -0.942 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.899 -0.180 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.587 -0.515 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.419 0.311 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.784 0.653 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.527 -0.749 -1.321 1.00 0.00 H new ATOM 362 N ASN A 23 6.269 2.134 -3.033 1.00 0.00 N ATOM 363 CA ASN A 23 7.568 1.815 -3.579 1.00 0.00 C ATOM 364 C ASN A 23 8.646 2.670 -2.903 1.00 0.00 C ATOM 365 O ASN A 23 9.829 2.348 -2.938 1.00 0.00 O ATOM 366 CB ASN A 23 7.518 2.073 -5.086 1.00 0.00 C ATOM 367 CG ASN A 23 8.631 1.420 -5.901 1.00 0.00 C ATOM 368 OD1 ASN A 23 8.410 1.055 -7.054 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.816 1.258 -5.337 1.00 0.00 N ATOM 0 H ASN A 23 5.651 2.620 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 23 7.820 0.771 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.559 1.721 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.552 3.149 -5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.574 0.821 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.972 1.570 -4.379 1.00 0.00 H new ATOM 376 N LYS A 24 8.220 3.759 -2.274 1.00 0.00 N ATOM 377 CA LYS A 24 9.130 4.653 -1.572 1.00 0.00 C ATOM 378 C LYS A 24 9.458 4.132 -0.175 1.00 0.00 C ATOM 379 O LYS A 24 10.451 4.542 0.431 1.00 0.00 O ATOM 380 CB LYS A 24 8.510 6.040 -1.462 1.00 0.00 C ATOM 381 CG LYS A 24 8.707 6.914 -2.687 1.00 0.00 C ATOM 382 CD LYS A 24 7.888 8.192 -2.587 1.00 0.00 C ATOM 383 CE LYS A 24 8.295 9.216 -3.637 1.00 0.00 C ATOM 384 NZ LYS A 24 9.703 9.659 -3.460 1.00 0.00 N ATOM 0 H LYS A 24 7.242 4.045 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 24 10.056 4.704 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.441 5.933 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.936 6.547 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.763 7.163 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.418 6.362 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.831 7.955 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.010 8.624 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.172 8.786 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.632 10.079 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.840 10.576 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.911 9.756 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.344 8.955 -3.879 1.00 0.00 H new ATOM 398 N LEU A 25 8.619 3.238 0.334 1.00 0.00 N ATOM 399 CA LEU A 25 8.796 2.702 1.678 1.00 0.00 C ATOM 400 C LEU A 25 9.984 1.751 1.751 1.00 0.00 C ATOM 401 O LEU A 25 10.200 0.942 0.849 1.00 0.00 O ATOM 402 CB LEU A 25 7.534 1.975 2.142 1.00 0.00 C ATOM 403 CG LEU A 25 6.322 2.862 2.396 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.300 2.092 3.193 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.720 4.111 3.146 1.00 0.00 C ATOM 0 H LEU A 25 7.809 2.869 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 25 8.989 3.548 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.267 1.231 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.764 1.433 3.059 1.00 0.00 H new ATOM 0 HG LEU A 25 5.896 3.159 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.431 2.724 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.994 1.207 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.735 1.787 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.839 4.729 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.161 3.835 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.448 4.671 2.560 1.00 0.00 H new ATOM 417 N PRO A 26 10.785 1.849 2.825 1.00 0.00 N ATOM 418 CA PRO A 26 11.863 0.893 3.082 1.00 0.00 C ATOM 419 C PRO A 26 11.293 -0.476 3.437 1.00 0.00 C ATOM 420 O PRO A 26 10.170 -0.585 3.932 1.00 0.00 O ATOM 421 CB PRO A 26 12.614 1.496 4.276 1.00 0.00 C ATOM 422 CG PRO A 26 11.626 2.391 4.949 1.00 0.00 C ATOM 423 CD PRO A 26 10.701 2.891 3.868 1.00 0.00 C ATOM 0 HA PRO A 26 12.507 0.739 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.966 0.718 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.491 2.054 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.071 1.850 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.129 3.221 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.682 3.008 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.017 3.863 3.489 1.00 0.00 H new ATOM 431 N GLY A 27 12.094 -1.511 3.173 1.00 0.00 N ATOM 432 CA GLY A 27 11.663 -2.898 3.309 1.00 0.00 C ATOM 433 C GLY A 27 11.055 -3.224 4.660 1.00 0.00 C ATOM 434 O GLY A 27 10.252 -4.146 4.780 1.00 0.00 O ATOM 0 H GLY A 27 13.059 -1.408 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.933 -3.119 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.518 -3.552 3.139 1.00 0.00 H new ATOM 438 N GLU A 28 11.451 -2.487 5.678 1.00 0.00 N ATOM 439 CA GLU A 28 10.886 -2.660 7.003 1.00 0.00 C ATOM 440 C GLU A 28 9.504 -2.002 7.108 1.00 0.00 C ATOM 441 O GLU A 28 8.538 -2.616 7.577 1.00 0.00 O ATOM 442 CB GLU A 28 11.839 -2.120 8.078 1.00 0.00 C ATOM 443 CG GLU A 28 12.686 -0.932 7.652 1.00 0.00 C ATOM 444 CD GLU A 28 13.918 -1.311 6.846 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.944 -1.673 7.459 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.868 -1.229 5.600 1.00 0.00 O ATOM 0 H GLU A 28 12.164 -1.760 5.614 1.00 0.00 H new ATOM 0 HA GLU A 28 10.756 -3.729 7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.252 -1.834 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.503 -2.926 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.071 -0.254 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.000 -0.385 8.541 1.00 0.00 H new ATOM 453 N LYS A 29 9.388 -0.780 6.610 1.00 0.00 N ATOM 454 CA LYS A 29 8.147 -0.025 6.739 1.00 0.00 C ATOM 455 C LYS A 29 7.086 -0.576 5.793 1.00 0.00 C ATOM 456 O LYS A 29 5.891 -0.506 6.069 1.00 0.00 O ATOM 457 CB LYS A 29 8.388 1.453 6.421 1.00 0.00 C ATOM 458 CG LYS A 29 8.586 2.359 7.631 1.00 0.00 C ATOM 459 CD LYS A 29 9.740 1.917 8.511 1.00 0.00 C ATOM 460 CE LYS A 29 10.406 3.110 9.178 1.00 0.00 C ATOM 461 NZ LYS A 29 9.443 3.916 9.976 1.00 0.00 N ATOM 0 H LYS A 29 10.133 -0.290 6.115 1.00 0.00 H new ATOM 0 HA LYS A 29 7.797 -0.122 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.268 1.531 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.542 1.826 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.764 3.379 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.670 2.375 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.377 1.226 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.472 1.376 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.210 2.760 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.863 3.742 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.963 4.614 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.789 4.410 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.903 3.288 10.605 1.00 0.00 H new ATOM 475 N LEU A 30 7.523 -1.173 4.697 1.00 0.00 N ATOM 476 CA LEU A 30 6.584 -1.676 3.710 1.00 0.00 C ATOM 477 C LEU A 30 5.979 -3.004 4.163 1.00 0.00 C ATOM 478 O LEU A 30 4.995 -3.477 3.597 1.00 0.00 O ATOM 479 CB LEU A 30 7.234 -1.731 2.311 1.00 0.00 C ATOM 480 CG LEU A 30 7.478 -3.094 1.651 1.00 0.00 C ATOM 481 CD1 LEU A 30 8.156 -2.871 0.316 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.329 -4.006 2.504 1.00 0.00 C ATOM 0 H LEU A 30 8.507 -1.320 4.470 1.00 0.00 H new ATOM 0 HA LEU A 30 5.748 -0.981 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.609 -1.147 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.195 -1.221 2.376 1.00 0.00 H new ATOM 0 HG LEU A 30 6.513 -3.584 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.336 -3.832 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.515 -2.261 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.106 -2.359 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.471 -4.957 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.299 -3.540 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.832 -4.180 3.458 1.00 0.00 H new ATOM 494 N GLY A 31 6.560 -3.592 5.203 1.00 0.00 N ATOM 495 CA GLY A 31 5.933 -4.737 5.838 1.00 0.00 C ATOM 496 C GLY A 31 4.605 -4.351 6.468 1.00 0.00 C ATOM 497 O GLY A 31 3.728 -5.189 6.656 1.00 0.00 O ATOM 0 H GLY A 31 7.446 -3.300 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.775 -5.525 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.597 -5.143 6.601 1.00 0.00 H new ATOM 501 N ARG A 32 4.447 -3.068 6.798 1.00 0.00 N ATOM 502 CA ARG A 32 3.166 -2.583 7.311 1.00 0.00 C ATOM 503 C ARG A 32 2.079 -2.650 6.247 1.00 0.00 C ATOM 504 O ARG A 32 0.967 -3.074 6.540 1.00 0.00 O ATOM 505 CB ARG A 32 3.249 -1.151 7.821 1.00 0.00 C ATOM 506 CG ARG A 32 1.909 -0.613 8.302 1.00 0.00 C ATOM 507 CD ARG A 32 1.871 -0.466 9.814 1.00 0.00 C ATOM 508 NE ARG A 32 1.995 -1.755 10.495 1.00 0.00 N ATOM 509 CZ ARG A 32 1.097 -2.236 11.358 1.00 0.00 C ATOM 510 NH1 ARG A 32 -0.021 -1.562 11.613 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.313 -3.400 11.958 1.00 0.00 N ATOM 0 H ARG A 32 5.175 -2.358 6.721 1.00 0.00 H new ATOM 0 HA ARG A 32 2.914 -3.241 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.968 -1.103 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.628 -0.509 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.718 0.354 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.112 -1.284 7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.679 0.192 10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.936 0.011 10.108 1.00 0.00 H new ATOM 0 HE ARG A 32 2.820 -2.322 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.197 -0.671 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.702 -1.936 12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.164 -3.926 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.628 -3.769 12.618 1.00 0.00 H new ATOM 525 N VAL A 33 2.382 -2.215 5.025 1.00 0.00 N ATOM 526 CA VAL A 33 1.387 -2.256 3.952 1.00 0.00 C ATOM 527 C VAL A 33 0.918 -3.680 3.725 1.00 0.00 C ATOM 528 O VAL A 33 -0.279 -3.929 3.653 1.00 0.00 O ATOM 529 CB VAL A 33 1.878 -1.639 2.622 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.126 -0.359 2.340 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.356 -1.333 2.634 1.00 0.00 C ATOM 0 H VAL A 33 3.290 -1.837 4.755 1.00 0.00 H new ATOM 0 HA VAL A 33 0.555 -1.637 4.287 1.00 0.00 H new ATOM 0 HB VAL A 33 1.691 -2.381 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.477 0.070 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.060 -0.572 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.298 0.350 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.646 -0.902 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.574 -0.623 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.917 -2.252 2.803 1.00 0.00 H new ATOM 541 N VAL A 34 1.862 -4.608 3.637 1.00 0.00 N ATOM 542 CA VAL A 34 1.536 -6.044 3.604 1.00 0.00 C ATOM 543 C VAL A 34 0.586 -6.398 4.755 1.00 0.00 C ATOM 544 O VAL A 34 -0.385 -7.115 4.556 1.00 0.00 O ATOM 545 CB VAL A 34 2.804 -6.958 3.662 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.048 -6.209 3.234 1.00 0.00 C ATOM 547 CG2 VAL A 34 3.000 -7.609 5.026 1.00 0.00 C ATOM 0 H VAL A 34 2.860 -4.402 3.587 1.00 0.00 H new ATOM 0 HA VAL A 34 1.049 -6.233 2.647 1.00 0.00 H new ATOM 0 HB VAL A 34 2.631 -7.765 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.910 -6.875 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.925 -5.854 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.206 -5.358 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.895 -8.231 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.112 -6.835 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.133 -8.227 5.262 1.00 0.00 H new ATOM 557 N HIS A 35 0.845 -5.855 5.944 1.00 0.00 N ATOM 558 CA HIS A 35 0.032 -6.153 7.115 1.00 0.00 C ATOM 559 C HIS A 35 -1.353 -5.525 6.992 1.00 0.00 C ATOM 560 O HIS A 35 -2.360 -6.183 7.236 1.00 0.00 O ATOM 561 CB HIS A 35 0.726 -5.668 8.393 1.00 0.00 C ATOM 562 CG HIS A 35 -0.034 -5.971 9.650 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.239 -7.055 10.453 1.00 0.00 N ATOM 564 CD2 HIS A 35 -1.066 -5.321 10.242 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.588 -7.059 11.481 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.389 -6.019 11.377 1.00 0.00 N ATOM 0 H HIS A 35 1.613 -5.206 6.118 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.088 -7.235 7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.712 -6.128 8.456 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.881 -4.591 8.324 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.545 -4.421 9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.605 -7.792 12.274 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.129 -5.773 12.034 1.00 0.00 H new ATOM 575 N ILE A 36 -1.396 -4.250 6.624 1.00 0.00 N ATOM 576 CA ILE A 36 -2.662 -3.554 6.428 1.00 0.00 C ATOM 577 C ILE A 36 -3.478 -4.273 5.377 1.00 0.00 C ATOM 578 O ILE A 36 -4.659 -4.550 5.558 1.00 0.00 O ATOM 579 CB ILE A 36 -2.454 -2.095 5.975 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.649 -1.342 7.034 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.805 -1.428 5.734 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.112 -0.012 6.566 1.00 0.00 C ATOM 0 H ILE A 36 -0.569 -3.677 6.455 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.182 -3.547 7.386 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.896 -2.076 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.280 -1.180 7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.815 -1.967 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.650 -0.398 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.346 -1.971 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.386 -1.438 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.553 0.459 7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.454 -0.166 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.941 0.633 6.274 1.00 0.00 H new ATOM 594 N ILE A 37 -2.813 -4.588 4.292 1.00 0.00 N ATOM 595 CA ILE A 37 -3.413 -5.292 3.190 1.00 0.00 C ATOM 596 C ILE A 37 -3.897 -6.681 3.617 1.00 0.00 C ATOM 597 O ILE A 37 -5.078 -6.939 3.586 1.00 0.00 O ATOM 598 CB ILE A 37 -2.413 -5.356 2.030 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.343 -3.995 1.343 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.774 -6.448 1.050 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.069 -3.771 0.579 1.00 0.00 C ATOM 0 H ILE A 37 -1.829 -4.359 4.150 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.298 -4.753 2.852 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.429 -5.602 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.188 -3.898 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.449 -3.212 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.045 -6.466 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.772 -7.411 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.766 -6.256 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.090 -2.784 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.220 -3.835 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.971 -4.531 -0.196 1.00 0.00 H new ATOM 613 N GLN A 38 -2.996 -7.552 4.060 1.00 0.00 N ATOM 614 CA GLN A 38 -3.376 -8.907 4.503 1.00 0.00 C ATOM 615 C GLN A 38 -4.518 -8.892 5.527 1.00 0.00 C ATOM 616 O GLN A 38 -5.375 -9.775 5.521 1.00 0.00 O ATOM 617 CB GLN A 38 -2.183 -9.637 5.130 1.00 0.00 C ATOM 618 CG GLN A 38 -1.068 -9.956 4.162 1.00 0.00 C ATOM 619 CD GLN A 38 0.100 -10.660 4.831 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.252 -10.469 4.454 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.190 -11.492 5.821 1.00 0.00 N ATOM 0 H GLN A 38 -1.998 -7.353 4.125 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.712 -9.429 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.782 -9.025 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.536 -10.566 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.456 -10.585 3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.716 -9.033 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.160 -11.626 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.557 -11.999 6.297 1.00 0.00 H new ATOM 630 N SER A 39 -4.517 -7.905 6.417 1.00 0.00 N ATOM 631 CA SER A 39 -5.527 -7.833 7.467 1.00 0.00 C ATOM 632 C SER A 39 -6.866 -7.346 6.913 1.00 0.00 C ATOM 633 O SER A 39 -7.914 -7.937 7.185 1.00 0.00 O ATOM 634 CB SER A 39 -5.054 -6.917 8.601 1.00 0.00 C ATOM 635 OG SER A 39 -4.837 -5.591 8.149 1.00 0.00 O ATOM 0 H SER A 39 -3.833 -7.149 6.433 1.00 0.00 H new ATOM 0 HA SER A 39 -5.672 -8.838 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.797 -6.912 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.131 -7.312 9.027 1.00 0.00 H new ATOM 0 HG SER A 39 -3.952 -5.528 7.732 1.00 0.00 H new ATOM 641 N ARG A 40 -6.824 -6.267 6.134 1.00 0.00 N ATOM 642 CA ARG A 40 -8.032 -5.689 5.552 1.00 0.00 C ATOM 643 C ARG A 40 -8.498 -6.506 4.355 1.00 0.00 C ATOM 644 O ARG A 40 -9.655 -6.428 3.937 1.00 0.00 O ATOM 645 CB ARG A 40 -7.783 -4.229 5.162 1.00 0.00 C ATOM 646 CG ARG A 40 -7.479 -3.372 6.365 1.00 0.00 C ATOM 647 CD ARG A 40 -7.211 -1.929 6.005 1.00 0.00 C ATOM 648 NE ARG A 40 -8.450 -1.150 5.970 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.625 0.005 6.622 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.614 0.568 7.278 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.816 0.591 6.630 1.00 0.00 N ATOM 0 H ARG A 40 -5.964 -5.775 5.891 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.826 -5.713 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.951 -4.177 4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.660 -3.836 4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.318 -3.418 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.612 -3.779 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.525 -1.492 6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.720 -1.880 5.033 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.227 -1.510 5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.698 0.119 7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.755 1.449 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.599 0.161 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.948 1.472 7.128 1.00 0.00 H new ATOM 665 N GLU A 41 -7.584 -7.296 3.822 1.00 0.00 N ATOM 666 CA GLU A 41 -7.868 -8.214 2.736 1.00 0.00 C ATOM 667 C GLU A 41 -7.581 -9.637 3.186 1.00 0.00 C ATOM 668 O GLU A 41 -6.565 -10.218 2.802 1.00 0.00 O ATOM 669 CB GLU A 41 -6.984 -7.914 1.529 1.00 0.00 C ATOM 670 CG GLU A 41 -6.813 -6.442 1.219 1.00 0.00 C ATOM 671 CD GLU A 41 -8.067 -5.792 0.667 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.803 -6.462 -0.090 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.327 -4.614 0.997 1.00 0.00 O ATOM 0 H GLU A 41 -6.613 -7.318 4.135 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.916 -8.098 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.000 -8.352 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.407 -8.409 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.512 -5.920 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.004 -6.322 0.499 1.00 0.00 H new ATOM 680 N PRO A 42 -8.459 -10.237 3.999 1.00 0.00 N ATOM 681 CA PRO A 42 -8.228 -11.583 4.517 1.00 0.00 C ATOM 682 C PRO A 42 -8.253 -12.620 3.400 1.00 0.00 C ATOM 683 O PRO A 42 -7.886 -13.779 3.595 1.00 0.00 O ATOM 684 CB PRO A 42 -9.383 -11.811 5.499 1.00 0.00 C ATOM 685 CG PRO A 42 -9.986 -10.464 5.728 1.00 0.00 C ATOM 686 CD PRO A 42 -9.728 -9.676 4.477 1.00 0.00 C ATOM 0 HA PRO A 42 -7.250 -11.681 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.117 -12.504 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.024 -12.244 6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.055 -10.544 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.537 -9.978 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.527 -9.802 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.648 -8.608 4.680 1.00 0.00 H new ATOM 694 N SER A 43 -8.673 -12.181 2.224 1.00 0.00 N ATOM 695 CA SER A 43 -8.675 -13.013 1.040 1.00 0.00 C ATOM 696 C SER A 43 -7.247 -13.301 0.579 1.00 0.00 C ATOM 697 O SER A 43 -7.013 -14.219 -0.208 1.00 0.00 O ATOM 698 CB SER A 43 -9.469 -12.316 -0.064 1.00 0.00 C ATOM 699 OG SER A 43 -9.151 -10.932 -0.116 1.00 0.00 O ATOM 0 H SER A 43 -9.022 -11.235 2.068 1.00 0.00 H new ATOM 0 HA SER A 43 -9.147 -13.968 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.249 -12.781 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.537 -12.442 0.115 1.00 0.00 H new ATOM 0 HG SER A 43 -9.668 -10.504 -0.830 1.00 0.00 H new ATOM 705 N LEU A 44 -6.292 -12.513 1.071 1.00 0.00 N ATOM 706 CA LEU A 44 -4.894 -12.726 0.737 1.00 0.00 C ATOM 707 C LEU A 44 -4.044 -12.944 1.989 1.00 0.00 C ATOM 708 O LEU A 44 -2.830 -12.756 1.963 1.00 0.00 O ATOM 709 CB LEU A 44 -4.359 -11.563 -0.116 1.00 0.00 C ATOM 710 CG LEU A 44 -4.426 -10.169 0.488 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.119 -9.812 1.158 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.759 -9.155 -0.593 1.00 0.00 C ATOM 0 H LEU A 44 -6.464 -11.727 1.698 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.824 -13.638 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.318 -11.775 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.912 -11.551 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.210 -10.154 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.190 -8.811 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.909 -10.529 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.314 -9.838 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.806 -8.158 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.988 -9.177 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.723 -9.401 -1.038 1.00 0.00 H new ATOM 724 N LYS A 45 -4.675 -13.380 3.080 1.00 0.00 N ATOM 725 CA LYS A 45 -3.934 -13.694 4.302 1.00 0.00 C ATOM 726 C LYS A 45 -3.062 -14.927 4.079 1.00 0.00 C ATOM 727 O LYS A 45 -2.112 -15.170 4.820 1.00 0.00 O ATOM 728 CB LYS A 45 -4.871 -13.915 5.497 1.00 0.00 C ATOM 729 CG LYS A 45 -5.709 -15.180 5.412 1.00 0.00 C ATOM 730 CD LYS A 45 -6.513 -15.397 6.675 1.00 0.00 C ATOM 731 CE LYS A 45 -5.590 -15.684 7.836 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.332 -16.115 9.048 1.00 0.00 N ATOM 0 H LYS A 45 -5.683 -13.522 3.143 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.301 -12.839 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.275 -13.949 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.538 -13.057 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.382 -15.115 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.059 -16.038 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.115 -14.513 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.205 -16.228 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.881 -16.461 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.009 -14.791 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.659 -16.301 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.991 -15.364 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.866 -16.982 8.838 1.00 0.00 H new ATOM 746 N ASN A 46 -3.397 -15.698 3.045 1.00 0.00 N ATOM 747 CA ASN A 46 -2.608 -16.863 2.660 1.00 0.00 C ATOM 748 C ASN A 46 -1.240 -16.434 2.139 1.00 0.00 C ATOM 749 O ASN A 46 -0.288 -17.216 2.143 1.00 0.00 O ATOM 750 CB ASN A 46 -3.339 -17.674 1.571 1.00 0.00 C ATOM 751 CG ASN A 46 -3.586 -16.868 0.307 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.731 -16.800 -0.575 1.00 0.00 O ATOM 753 ND2 ASN A 46 -4.760 -16.267 0.199 1.00 0.00 N ATOM 0 H ASN A 46 -4.214 -15.534 2.457 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.475 -17.487 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.750 -18.557 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.292 -18.026 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.981 -15.725 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.444 -16.346 0.951 1.00 0.00 H new ATOM 760 N SER A 47 -1.152 -15.188 1.694 1.00 0.00 N ATOM 761 CA SER A 47 0.079 -14.655 1.144 1.00 0.00 C ATOM 762 C SER A 47 1.074 -14.337 2.259 1.00 0.00 C ATOM 763 O SER A 47 0.704 -13.797 3.305 1.00 0.00 O ATOM 764 CB SER A 47 -0.222 -13.404 0.314 1.00 0.00 C ATOM 765 OG SER A 47 -1.017 -13.722 -0.820 1.00 0.00 O ATOM 0 H SER A 47 -1.927 -14.526 1.705 1.00 0.00 H new ATOM 0 HA SER A 47 0.530 -15.407 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.740 -12.670 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.712 -12.945 -0.010 1.00 0.00 H new ATOM 0 HG SER A 47 -1.197 -12.906 -1.333 1.00 0.00 H new ATOM 771 N ASN A 48 2.331 -14.700 2.037 1.00 0.00 N ATOM 772 CA ASN A 48 3.387 -14.466 3.013 1.00 0.00 C ATOM 773 C ASN A 48 3.748 -12.986 3.046 1.00 0.00 C ATOM 774 O ASN A 48 3.805 -12.330 2.007 1.00 0.00 O ATOM 775 CB ASN A 48 4.627 -15.289 2.659 1.00 0.00 C ATOM 776 CG ASN A 48 4.356 -16.782 2.592 1.00 0.00 C ATOM 777 OD1 ASN A 48 3.988 -17.311 1.544 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.544 -17.476 3.704 1.00 0.00 N ATOM 0 H ASN A 48 2.645 -15.161 1.183 1.00 0.00 H new ATOM 0 HA ASN A 48 3.027 -14.771 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.015 -14.953 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.404 -15.100 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.383 -18.483 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.850 -17.003 4.555 1.00 0.00 H new ATOM 785 N PRO A 49 4.004 -12.454 4.252 1.00 0.00 N ATOM 786 CA PRO A 49 4.239 -11.021 4.473 1.00 0.00 C ATOM 787 C PRO A 49 5.460 -10.481 3.738 1.00 0.00 C ATOM 788 O PRO A 49 5.497 -9.311 3.366 1.00 0.00 O ATOM 789 CB PRO A 49 4.440 -10.913 5.988 1.00 0.00 C ATOM 790 CG PRO A 49 4.801 -12.284 6.431 1.00 0.00 C ATOM 791 CD PRO A 49 4.068 -13.213 5.511 1.00 0.00 C ATOM 0 HA PRO A 49 3.408 -10.429 4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.228 -10.200 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.533 -10.566 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.878 -12.444 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.510 -12.450 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.598 -14.157 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.074 -13.453 5.888 1.00 0.00 H new ATOM 799 N ASP A 50 6.459 -11.328 3.529 1.00 0.00 N ATOM 800 CA ASP A 50 7.672 -10.906 2.831 1.00 0.00 C ATOM 801 C ASP A 50 7.555 -11.189 1.347 1.00 0.00 C ATOM 802 O ASP A 50 8.530 -11.065 0.605 1.00 0.00 O ATOM 803 CB ASP A 50 8.908 -11.623 3.379 1.00 0.00 C ATOM 804 CG ASP A 50 9.179 -11.313 4.834 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.855 -10.303 5.118 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.726 -12.092 5.701 1.00 0.00 O ATOM 0 H ASP A 50 6.457 -12.303 3.829 1.00 0.00 H new ATOM 0 HA ASP A 50 7.785 -9.834 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.778 -12.699 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.777 -11.340 2.786 1.00 0.00 H new ATOM 811 N GLU A 51 6.367 -11.598 0.924 1.00 0.00 N ATOM 812 CA GLU A 51 6.126 -11.951 -0.465 1.00 0.00 C ATOM 813 C GLU A 51 4.753 -11.454 -0.893 1.00 0.00 C ATOM 814 O GLU A 51 4.115 -12.033 -1.775 1.00 0.00 O ATOM 815 CB GLU A 51 6.221 -13.472 -0.647 1.00 0.00 C ATOM 816 CG GLU A 51 7.584 -14.052 -0.313 1.00 0.00 C ATOM 817 CD GLU A 51 7.510 -15.260 0.597 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.264 -16.376 0.093 1.00 0.00 O ATOM 819 OE2 GLU A 51 7.710 -15.103 1.823 1.00 0.00 O ATOM 0 H GLU A 51 5.551 -11.693 1.529 1.00 0.00 H new ATOM 0 HA GLU A 51 6.884 -11.478 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.470 -13.950 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.976 -13.720 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.089 -14.332 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.192 -13.283 0.163 1.00 0.00 H new ATOM 826 N ILE A 52 4.293 -10.383 -0.254 1.00 0.00 N ATOM 827 CA ILE A 52 2.939 -9.908 -0.461 1.00 0.00 C ATOM 828 C ILE A 52 2.756 -9.307 -1.843 1.00 0.00 C ATOM 829 O ILE A 52 3.687 -8.775 -2.450 1.00 0.00 O ATOM 830 CB ILE A 52 2.493 -8.907 0.635 1.00 0.00 C ATOM 831 CG1 ILE A 52 0.998 -9.051 0.899 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.795 -7.477 0.247 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.606 -10.422 1.348 1.00 0.00 C ATOM 0 H ILE A 52 4.840 -9.833 0.408 1.00 0.00 H new ATOM 0 HA ILE A 52 2.294 -10.784 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 52 3.056 -9.142 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.699 -8.328 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.450 -8.803 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.467 -6.807 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.868 -7.360 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.268 -7.231 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.470 -10.455 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.875 -11.147 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.127 -10.665 2.274 1.00 0.00 H new ATOM 845 N GLU A 53 1.545 -9.445 -2.336 1.00 0.00 N ATOM 846 CA GLU A 53 1.155 -8.904 -3.622 1.00 0.00 C ATOM 847 C GLU A 53 0.136 -7.810 -3.394 1.00 0.00 C ATOM 848 O GLU A 53 -1.042 -8.094 -3.168 1.00 0.00 O ATOM 849 CB GLU A 53 0.536 -9.997 -4.504 1.00 0.00 C ATOM 850 CG GLU A 53 1.505 -11.086 -4.935 1.00 0.00 C ATOM 851 CD GLU A 53 2.382 -10.667 -6.095 1.00 0.00 C ATOM 852 OE1 GLU A 53 1.848 -10.464 -7.203 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.612 -10.569 -5.917 1.00 0.00 O ATOM 0 H GLU A 53 0.796 -9.940 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 53 2.036 -8.509 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.290 -10.458 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.114 -9.531 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.136 -11.360 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.942 -11.977 -5.214 1.00 0.00 H new ATOM 860 N ILE A 54 0.578 -6.567 -3.411 1.00 0.00 N ATOM 861 CA ILE A 54 -0.327 -5.467 -3.221 1.00 0.00 C ATOM 862 C ILE A 54 -1.155 -5.279 -4.487 1.00 0.00 C ATOM 863 O ILE A 54 -0.692 -4.698 -5.472 1.00 0.00 O ATOM 864 CB ILE A 54 0.430 -4.169 -2.899 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.384 -4.361 -1.714 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.547 -3.050 -2.623 1.00 0.00 C ATOM 867 CD1 ILE A 54 2.014 -3.061 -1.250 1.00 0.00 C ATOM 0 H ILE A 54 1.553 -6.302 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.977 -5.694 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 54 1.032 -3.902 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.839 -4.812 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.171 -5.060 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.001 -2.136 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.173 -2.889 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.175 -3.317 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.679 -3.259 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.584 -2.621 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.232 -2.368 -0.939 1.00 0.00 H new ATOM 879 N ASP A 55 -2.374 -5.785 -4.458 1.00 0.00 N ATOM 880 CA ASP A 55 -3.251 -5.723 -5.616 1.00 0.00 C ATOM 881 C ASP A 55 -4.226 -4.573 -5.450 1.00 0.00 C ATOM 882 O ASP A 55 -5.285 -4.722 -4.846 1.00 0.00 O ATOM 883 CB ASP A 55 -4.002 -7.046 -5.795 1.00 0.00 C ATOM 884 CG ASP A 55 -4.806 -7.093 -7.080 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.845 -6.407 -7.163 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.414 -7.830 -8.004 1.00 0.00 O ATOM 0 H ASP A 55 -2.781 -6.245 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.651 -5.555 -6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.287 -7.869 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.670 -7.197 -4.947 1.00 0.00 H new ATOM 891 N PHE A 56 -3.857 -3.432 -6.009 1.00 0.00 N ATOM 892 CA PHE A 56 -4.567 -2.179 -5.778 1.00 0.00 C ATOM 893 C PHE A 56 -5.983 -2.173 -6.354 1.00 0.00 C ATOM 894 O PHE A 56 -6.753 -1.246 -6.105 1.00 0.00 O ATOM 895 CB PHE A 56 -3.756 -1.024 -6.351 1.00 0.00 C ATOM 896 CG PHE A 56 -2.447 -0.819 -5.643 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.419 -0.225 -4.401 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.254 -1.223 -6.210 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.243 -0.024 -3.732 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.062 -1.028 -5.541 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.062 -0.422 -4.296 1.00 0.00 C ATOM 0 H PHE A 56 -3.057 -3.346 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.677 -2.064 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.566 -1.210 -7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.344 -0.108 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.346 0.089 -3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.254 -1.694 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.247 0.448 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.868 -1.347 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.869 -0.264 -3.771 1.00 0.00 H new ATOM 911 N GLU A 57 -6.326 -3.201 -7.112 1.00 0.00 N ATOM 912 CA GLU A 57 -7.662 -3.310 -7.672 1.00 0.00 C ATOM 913 C GLU A 57 -8.588 -4.064 -6.730 1.00 0.00 C ATOM 914 O GLU A 57 -9.773 -3.751 -6.633 1.00 0.00 O ATOM 915 CB GLU A 57 -7.611 -3.999 -9.032 1.00 0.00 C ATOM 916 CG GLU A 57 -7.120 -3.092 -10.142 1.00 0.00 C ATOM 917 CD GLU A 57 -8.022 -1.890 -10.344 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.063 -2.030 -11.021 1.00 0.00 O ATOM 919 OE2 GLU A 57 -7.706 -0.803 -9.822 1.00 0.00 O ATOM 0 H GLU A 57 -5.700 -3.969 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.059 -2.303 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.958 -4.869 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.606 -4.365 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.111 -2.751 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.060 -3.659 -11.071 1.00 0.00 H new ATOM 926 N THR A 58 -8.046 -5.051 -6.034 1.00 0.00 N ATOM 927 CA THR A 58 -8.838 -5.824 -5.094 1.00 0.00 C ATOM 928 C THR A 58 -8.764 -5.230 -3.691 1.00 0.00 C ATOM 929 O THR A 58 -9.639 -5.480 -2.862 1.00 0.00 O ATOM 930 CB THR A 58 -8.401 -7.298 -5.070 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.982 -7.388 -4.908 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.815 -8.000 -6.353 1.00 0.00 C ATOM 0 H THR A 58 -7.068 -5.333 -6.102 1.00 0.00 H new ATOM 0 HA THR A 58 -9.873 -5.781 -5.433 1.00 0.00 H new ATOM 0 HB THR A 58 -8.891 -7.787 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.714 -8.330 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.497 -9.042 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.899 -7.955 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.347 -7.507 -7.205 1.00 0.00 H new ATOM 940 N LEU A 59 -7.714 -4.448 -3.431 1.00 0.00 N ATOM 941 CA LEU A 59 -7.607 -3.704 -2.184 1.00 0.00 C ATOM 942 C LEU A 59 -8.804 -2.787 -2.035 1.00 0.00 C ATOM 943 O LEU A 59 -9.131 -2.029 -2.953 1.00 0.00 O ATOM 944 CB LEU A 59 -6.326 -2.887 -2.142 1.00 0.00 C ATOM 945 CG LEU A 59 -5.057 -3.718 -2.122 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.838 -2.833 -2.018 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.104 -4.711 -0.979 1.00 0.00 C ATOM 0 H LEU A 59 -6.929 -4.317 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.584 -4.417 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.301 -2.227 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.344 -2.250 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.987 -4.271 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.940 -3.451 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.803 -2.160 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.890 -2.249 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.189 -5.303 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.195 -4.175 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.962 -5.371 -1.106 1.00 0.00 H new ATOM 959 N LYS A 60 -9.477 -2.882 -0.902 1.00 0.00 N ATOM 960 CA LYS A 60 -10.619 -2.029 -0.637 1.00 0.00 C ATOM 961 C LYS A 60 -10.168 -0.579 -0.541 1.00 0.00 C ATOM 962 O LYS A 60 -9.064 -0.315 -0.060 1.00 0.00 O ATOM 963 CB LYS A 60 -11.325 -2.453 0.656 1.00 0.00 C ATOM 964 CG LYS A 60 -11.918 -3.851 0.598 1.00 0.00 C ATOM 965 CD LYS A 60 -12.650 -4.215 1.881 1.00 0.00 C ATOM 966 CE LYS A 60 -11.721 -4.217 3.083 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.395 -4.729 4.307 1.00 0.00 N ATOM 0 H LYS A 60 -9.253 -3.539 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.327 -2.129 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.614 -2.403 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.119 -1.740 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.607 -3.917 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.123 -4.574 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.461 -3.506 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.105 -5.199 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.848 -4.832 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.360 -3.205 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.727 -4.714 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.213 -4.127 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.717 -5.704 4.144 1.00 0.00 H new ATOM 981 N PRO A 61 -10.983 0.375 -1.028 1.00 0.00 N ATOM 982 CA PRO A 61 -10.679 1.801 -0.928 1.00 0.00 C ATOM 983 C PRO A 61 -10.135 2.174 0.447 1.00 0.00 C ATOM 984 O PRO A 61 -9.196 2.965 0.568 1.00 0.00 O ATOM 985 CB PRO A 61 -12.031 2.466 -1.167 1.00 0.00 C ATOM 986 CG PRO A 61 -12.781 1.516 -2.032 1.00 0.00 C ATOM 987 CD PRO A 61 -12.242 0.132 -1.749 1.00 0.00 C ATOM 0 HA PRO A 61 -9.909 2.109 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.555 2.643 -0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.914 3.434 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.849 1.564 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.653 1.771 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.939 -0.451 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.072 -0.425 -2.670 1.00 0.00 H new ATOM 995 N SER A 62 -10.718 1.567 1.475 1.00 0.00 N ATOM 996 CA SER A 62 -10.287 1.768 2.848 1.00 0.00 C ATOM 997 C SER A 62 -8.800 1.438 3.015 1.00 0.00 C ATOM 998 O SER A 62 -8.033 2.254 3.532 1.00 0.00 O ATOM 999 CB SER A 62 -11.115 0.881 3.769 1.00 0.00 C ATOM 1000 OG SER A 62 -12.483 0.908 3.407 1.00 0.00 O ATOM 0 H SER A 62 -11.502 0.922 1.377 1.00 0.00 H new ATOM 0 HA SER A 62 -10.433 2.817 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.744 -0.143 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.002 1.216 4.800 1.00 0.00 H new ATOM 0 HG SER A 62 -12.993 0.330 4.012 1.00 0.00 H new ATOM 1006 N THR A 63 -8.400 0.245 2.566 1.00 0.00 N ATOM 1007 CA THR A 63 -7.007 -0.179 2.644 1.00 0.00 C ATOM 1008 C THR A 63 -6.139 0.782 1.863 1.00 0.00 C ATOM 1009 O THR A 63 -5.152 1.276 2.377 1.00 0.00 O ATOM 1010 CB THR A 63 -6.810 -1.605 2.081 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.963 -2.401 2.396 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.559 -2.272 2.658 1.00 0.00 C ATOM 0 H THR A 63 -9.025 -0.442 2.145 1.00 0.00 H new ATOM 0 HA THR A 63 -6.721 -0.183 3.696 1.00 0.00 H new ATOM 0 HB THR A 63 -6.683 -1.529 1.001 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.889 -3.273 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.454 -3.273 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.681 -1.678 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.650 -2.340 3.742 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.550 1.078 0.635 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.790 1.953 -0.248 1.00 0.00 C ATOM 1022 C LEU A 64 -5.553 3.318 0.390 1.00 0.00 C ATOM 1023 O LEU A 64 -4.437 3.834 0.366 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.526 2.110 -1.575 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.679 0.829 -2.380 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.649 1.046 -3.521 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.329 0.371 -2.898 1.00 0.00 C ATOM 0 H LEU A 64 -7.413 0.721 0.226 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.816 1.497 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.517 2.518 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.995 2.842 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.078 0.048 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.752 0.123 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.621 1.336 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.274 1.835 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.452 -0.547 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.903 1.145 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.660 0.186 -2.057 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.601 3.894 0.969 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.486 5.176 1.645 1.00 0.00 C ATOM 1041 C ARG A 65 -5.584 5.052 2.870 1.00 0.00 C ATOM 1042 O ARG A 65 -4.896 5.999 3.241 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.863 5.691 2.053 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.764 6.062 0.882 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.234 7.261 0.109 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.111 7.621 -1.008 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.768 8.453 -1.993 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.573 9.024 -2.000 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.623 8.718 -2.971 1.00 0.00 N ATOM 0 H ARG A 65 -7.538 3.492 0.982 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.040 5.891 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.361 4.929 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.737 6.566 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.854 5.209 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.765 6.283 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.135 8.112 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.237 7.037 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.044 7.209 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.910 8.828 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.316 9.659 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.547 8.285 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.357 9.355 -3.722 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.594 3.878 3.491 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.720 3.598 4.619 1.00 0.00 C ATOM 1065 C GLU A 66 -3.272 3.480 4.147 1.00 0.00 C ATOM 1066 O GLU A 66 -2.408 4.166 4.660 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.163 2.315 5.322 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.238 1.875 6.442 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.205 2.844 7.606 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.158 2.832 8.415 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.231 3.614 7.726 1.00 0.00 O ATOM 0 H GLU A 66 -6.202 3.102 3.229 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.785 4.422 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.164 2.462 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.232 1.514 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.554 0.896 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.229 1.758 6.046 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.029 2.608 3.168 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.702 2.438 2.561 1.00 0.00 C ATOM 1080 C LEU A 67 -1.088 3.806 2.225 1.00 0.00 C ATOM 1081 O LEU A 67 -0.016 4.146 2.718 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.830 1.569 1.294 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.716 0.337 1.457 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.894 -0.364 0.134 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.132 -0.626 2.474 1.00 0.00 C ATOM 0 H LEU A 67 -3.744 1.998 2.771 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.040 1.939 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.229 2.183 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.835 1.247 0.988 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.688 0.672 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.528 -1.240 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.361 0.316 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.921 -0.676 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.784 -1.494 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.144 -0.949 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.047 -0.128 3.440 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.807 4.588 1.419 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.421 5.966 1.077 1.00 0.00 C ATOM 1099 C GLU A 68 -1.115 6.801 2.333 1.00 0.00 C ATOM 1100 O GLU A 68 0.009 7.241 2.545 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.550 6.596 0.287 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.312 8.044 -0.114 1.00 0.00 C ATOM 1103 CD GLU A 68 -1.025 8.333 -0.851 1.00 0.00 C ATOM 1104 OE1 GLU A 68 0.016 8.520 -0.200 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -1.090 8.482 -2.090 1.00 0.00 O ATOM 0 H GLU A 68 -2.677 4.286 0.981 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.508 5.941 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.718 6.006 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.464 6.542 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.144 8.367 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.335 8.657 0.787 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.116 6.992 3.184 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.957 7.793 4.402 1.00 0.00 C ATOM 1114 C ARG A 69 -0.878 7.231 5.314 1.00 0.00 C ATOM 1115 O ARG A 69 -0.245 7.966 6.075 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.284 7.856 5.137 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.237 8.903 4.584 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.155 10.205 5.361 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.820 10.795 5.317 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.562 12.067 5.601 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.549 12.896 5.925 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.316 12.510 5.554 1.00 0.00 N ATOM 0 H ARG A 69 -3.051 6.604 3.057 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.644 8.796 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.764 6.878 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.097 8.067 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.004 9.090 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.257 8.521 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.876 10.914 4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.436 10.024 6.399 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.039 10.195 5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.510 12.557 5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.345 13.872 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.558 11.876 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.113 13.486 5.771 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.643 5.944 5.221 1.00 0.00 N ATOM 1137 CA TYR A 70 0.386 5.320 6.008 1.00 0.00 C ATOM 1138 C TYR A 70 1.748 5.733 5.486 1.00 0.00 C ATOM 1139 O TYR A 70 2.595 6.209 6.243 1.00 0.00 O ATOM 1140 CB TYR A 70 0.269 3.804 5.980 1.00 0.00 C ATOM 1141 CG TYR A 70 1.523 3.148 6.474 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.992 3.374 7.762 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.258 2.343 5.634 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.168 2.805 8.195 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.436 1.775 6.052 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.890 2.010 7.338 1.00 0.00 C ATOM 1147 OH TYR A 70 5.075 1.460 7.766 1.00 0.00 O ATOM 0 H TYR A 70 -1.153 5.310 4.606 1.00 0.00 H new ATOM 0 HA TYR A 70 0.266 5.649 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.574 3.491 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.060 3.473 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.426 4.004 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.903 2.155 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.520 2.982 9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.005 1.148 5.381 1.00 0.00 H new ATOM 0 HH TYR A 70 5.401 0.823 7.096 1.00 0.00 H new ATOM 1157 N VAL A 71 1.956 5.572 4.188 1.00 0.00 N ATOM 1158 CA VAL A 71 3.234 5.912 3.601 1.00 0.00 C ATOM 1159 C VAL A 71 3.504 7.388 3.813 1.00 0.00 C ATOM 1160 O VAL A 71 4.642 7.787 3.965 1.00 0.00 O ATOM 1161 CB VAL A 71 3.318 5.618 2.090 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.829 4.229 1.751 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.565 6.646 1.294 1.00 0.00 C ATOM 0 H VAL A 71 1.263 5.212 3.532 1.00 0.00 H new ATOM 0 HA VAL A 71 3.976 5.286 4.097 1.00 0.00 H new ATOM 0 HB VAL A 71 4.372 5.671 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.907 4.068 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.438 3.491 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.789 4.124 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.642 6.412 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.516 6.640 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.989 7.633 1.480 1.00 0.00 H new ATOM 1173 N THR A 72 2.446 8.200 3.843 1.00 0.00 N ATOM 1174 CA THR A 72 2.617 9.635 3.983 1.00 0.00 C ATOM 1175 C THR A 72 3.201 9.985 5.345 1.00 0.00 C ATOM 1176 O THR A 72 3.891 10.991 5.495 1.00 0.00 O ATOM 1177 CB THR A 72 1.314 10.427 3.754 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.305 10.077 4.711 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.806 10.173 2.354 1.00 0.00 C ATOM 0 H THR A 72 1.477 7.888 3.773 1.00 0.00 H new ATOM 0 HA THR A 72 3.315 9.930 3.200 1.00 0.00 H new ATOM 0 HB THR A 72 1.537 11.486 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.612 9.316 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.115 10.734 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.556 10.493 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.610 9.109 2.226 1.00 0.00 H new ATOM 1187 N SER A 73 2.945 9.128 6.329 1.00 0.00 N ATOM 1188 CA SER A 73 3.496 9.319 7.661 1.00 0.00 C ATOM 1189 C SER A 73 5.004 9.059 7.634 1.00 0.00 C ATOM 1190 O SER A 73 5.737 9.438 8.546 1.00 0.00 O ATOM 1191 CB SER A 73 2.786 8.402 8.660 1.00 0.00 C ATOM 1192 OG SER A 73 3.249 7.064 8.572 1.00 0.00 O ATOM 0 H SER A 73 2.361 8.298 6.227 1.00 0.00 H new ATOM 0 HA SER A 73 3.333 10.348 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.945 8.775 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.712 8.427 8.476 1.00 0.00 H new ATOM 0 HG SER A 73 3.284 6.791 7.631 1.00 0.00 H new ATOM 1198 N CYS A 74 5.444 8.394 6.573 1.00 0.00 N ATOM 1199 CA CYS A 74 6.861 8.189 6.305 1.00 0.00 C ATOM 1200 C CYS A 74 7.369 9.206 5.282 1.00 0.00 C ATOM 1201 O CYS A 74 8.239 10.014 5.564 1.00 0.00 O ATOM 1202 CB CYS A 74 7.104 6.759 5.805 1.00 0.00 C ATOM 1203 SG CYS A 74 8.759 6.476 5.140 1.00 0.00 S ATOM 0 H CYS A 74 4.827 7.981 5.873 1.00 0.00 H new ATOM 0 HA CYS A 74 7.413 8.334 7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.932 6.065 6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.370 6.527 5.033 1.00 0.00 H new ATOM 0 HG CYS A 74 8.864 5.241 4.748 1.00 0.00 H new ATOM 1209 N LEU A 75 6.768 9.181 4.112 1.00 0.00 N ATOM 1210 CA LEU A 75 7.238 9.931 2.957 1.00 0.00 C ATOM 1211 C LEU A 75 7.078 11.431 3.137 1.00 0.00 C ATOM 1212 O LEU A 75 7.954 12.211 2.757 1.00 0.00 O ATOM 1213 CB LEU A 75 6.459 9.454 1.732 1.00 0.00 C ATOM 1214 CG LEU A 75 6.479 7.945 1.541 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.921 7.583 0.184 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.895 7.414 1.717 1.00 0.00 C ATOM 0 H LEU A 75 5.927 8.633 3.929 1.00 0.00 H new ATOM 0 HA LEU A 75 8.305 9.749 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.424 9.786 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.873 9.929 0.842 1.00 0.00 H new ATOM 0 HG LEU A 75 5.848 7.480 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.941 6.500 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.894 7.938 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.526 8.049 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.898 6.333 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.551 7.876 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.251 7.652 2.719 1.00 0.00 H new