USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 0.989 K(o=2.2,f=-6.8!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.35) USER MOD Set 3.1: A 33 TYR OH : rot -163:sc= 1.27 USER MOD Set 3.2: A 71 MET CE :methyl -143:sc= -0.347 (180deg=-1.89!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.058) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -124:sc= -0.121 (180deg=-0.35) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -129:sc= 0.407 USER MOD Single : A 57 THR OG1 : rot -77:sc= 1.28 USER MOD Single : A 60 SER OG : rot 2:sc= 1.28 USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= -0.0248 (180deg=-1.25) USER MOD Single : A 72 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.03) USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.772) USER MOD Single : A 75 SER OG : rot 55:sc= 1.29 USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0114) USER MOD Single : A 85 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.35) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -3.365 9.580 1.470 1.00 0.00 N ATOM 134 CA GLY A 10 -2.897 8.688 0.411 1.00 0.00 C ATOM 135 C GLY A 10 -2.384 7.333 0.896 1.00 0.00 C ATOM 136 O GLY A 10 -1.634 6.651 0.199 1.00 0.00 O ATOM 0 HA2 GLY A 10 -3.713 8.521 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.099 9.187 -0.139 1.00 0.00 H new ATOM 140 N LYS A 11 -2.785 6.920 2.095 1.00 0.00 N ATOM 141 CA LYS A 11 -2.403 5.635 2.638 1.00 0.00 C ATOM 142 C LYS A 11 -3.205 4.545 1.955 1.00 0.00 C ATOM 143 O LYS A 11 -4.440 4.543 2.029 1.00 0.00 O ATOM 144 CB LYS A 11 -2.622 5.624 4.144 1.00 0.00 C ATOM 145 CG LYS A 11 -1.473 6.360 4.849 1.00 0.00 C ATOM 146 CD LYS A 11 -1.278 5.823 6.266 1.00 0.00 C ATOM 147 CE LYS A 11 -2.429 6.262 7.162 1.00 0.00 C ATOM 148 NZ LYS A 11 -2.179 5.923 8.573 1.00 0.00 N ATOM 0 H LYS A 11 -3.383 7.471 2.711 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.344 5.452 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.572 6.101 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.681 4.597 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.552 6.238 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.687 7.428 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.220 4.735 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.334 6.185 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.575 7.338 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.351 5.784 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.983 6.237 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.064 4.894 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.313 6.399 8.896 1.00 0.00 H new ATOM 162 N LEU A 12 -2.496 3.625 1.314 1.00 0.00 N ATOM 163 CA LEU A 12 -3.091 2.448 0.705 1.00 0.00 C ATOM 164 C LEU A 12 -3.306 1.365 1.761 1.00 0.00 C ATOM 165 O LEU A 12 -2.899 1.491 2.918 1.00 0.00 O ATOM 166 CB LEU A 12 -2.208 1.950 -0.461 1.00 0.00 C ATOM 167 CG LEU A 12 -2.616 2.453 -1.857 1.00 0.00 C ATOM 168 CD1 LEU A 12 -4.033 2.036 -2.220 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.571 3.960 -2.037 1.00 0.00 C ATOM 0 H LEU A 12 -1.483 3.677 1.203 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.067 2.704 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.178 2.253 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.224 0.860 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.868 1.993 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.280 2.412 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.105 0.948 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.731 2.449 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.875 4.214 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.249 4.432 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.556 4.317 -1.862 1.00 0.00 H new ATOM 181 N PHE A 13 -3.945 0.272 1.369 1.00 0.00 N ATOM 182 CA PHE A 13 -4.126 -0.947 2.131 1.00 0.00 C ATOM 183 C PHE A 13 -4.053 -2.083 1.123 1.00 0.00 C ATOM 184 O PHE A 13 -4.882 -2.112 0.217 1.00 0.00 O ATOM 185 CB PHE A 13 -5.502 -0.928 2.805 1.00 0.00 C ATOM 186 CG PHE A 13 -5.745 -2.154 3.649 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.225 -2.193 4.951 1.00 0.00 C ATOM 188 CD2 PHE A 13 -6.420 -3.274 3.125 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.371 -3.345 5.728 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.572 -4.430 3.911 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.045 -4.468 5.216 1.00 0.00 C ATOM 0 H PHE A 13 -4.378 0.214 0.448 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.372 -1.058 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.586 -0.038 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.277 -0.856 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.712 -1.332 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.820 -3.245 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.964 -3.373 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.093 -5.289 3.514 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.158 -5.355 5.821 1.00 0.00 H new ATOM 201 N ILE A 14 -3.072 -2.976 1.222 1.00 0.00 N ATOM 202 CA ILE A 14 -2.880 -4.012 0.222 1.00 0.00 C ATOM 203 C ILE A 14 -3.051 -5.344 0.942 1.00 0.00 C ATOM 204 O ILE A 14 -2.501 -5.550 2.027 1.00 0.00 O ATOM 205 CB ILE A 14 -1.534 -3.842 -0.525 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.305 -2.412 -1.074 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.498 -4.766 -1.754 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.667 -1.435 -0.087 1.00 0.00 C ATOM 0 H ILE A 14 -2.399 -3.000 1.988 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.617 -3.952 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.767 -4.076 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.672 -2.476 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.263 -2.005 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.549 -4.642 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.603 -5.802 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.317 -4.510 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.548 -0.462 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.307 -1.334 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.309 -1.812 0.218 1.00 0.00 H new ATOM 220 N GLY A 15 -3.830 -6.248 0.354 1.00 0.00 N ATOM 221 CA GLY A 15 -4.007 -7.602 0.849 1.00 0.00 C ATOM 222 C GLY A 15 -3.829 -8.592 -0.285 1.00 0.00 C ATOM 223 O GLY A 15 -3.855 -8.227 -1.456 1.00 0.00 O ATOM 0 H GLY A 15 -4.363 -6.053 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.285 -7.807 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.999 -7.712 1.287 1.00 0.00 H new ATOM 227 N GLY A 16 -3.592 -9.852 0.046 1.00 0.00 N ATOM 228 CA GLY A 16 -3.547 -10.933 -0.925 1.00 0.00 C ATOM 229 C GLY A 16 -2.150 -11.156 -1.495 1.00 0.00 C ATOM 230 O GLY A 16 -2.010 -11.908 -2.458 1.00 0.00 O ATOM 0 H GLY A 16 -3.424 -10.155 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.894 -11.853 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.236 -10.712 -1.740 1.00 0.00 H new ATOM 234 N LEU A 17 -1.136 -10.493 -0.933 1.00 0.00 N ATOM 235 CA LEU A 17 0.257 -10.465 -1.379 1.00 0.00 C ATOM 236 C LEU A 17 0.875 -11.865 -1.375 1.00 0.00 C ATOM 237 O LEU A 17 0.241 -12.832 -0.943 1.00 0.00 O ATOM 238 CB LEU A 17 1.088 -9.526 -0.483 1.00 0.00 C ATOM 239 CG LEU A 17 0.708 -8.039 -0.485 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.809 -7.390 -1.871 1.00 0.00 C ATOM 241 CD2 LEU A 17 -0.663 -7.741 0.091 1.00 0.00 C ATOM 0 H LEU A 17 -1.277 -9.924 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 17 0.268 -10.091 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.022 -9.891 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.132 -9.608 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 17 1.454 -7.598 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.527 -6.339 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.833 -7.468 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.139 -7.901 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.849 -6.668 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.423 -8.263 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.703 -8.077 1.127 1.00 0.00 H new ATOM 253 N ASN A 18 2.111 -11.973 -1.861 1.00 0.00 N ATOM 254 CA ASN A 18 2.838 -13.228 -1.880 1.00 0.00 C ATOM 255 C ASN A 18 3.668 -13.365 -0.606 1.00 0.00 C ATOM 256 O ASN A 18 3.936 -12.391 0.091 1.00 0.00 O ATOM 257 CB ASN A 18 3.717 -13.324 -3.144 1.00 0.00 C ATOM 258 CG ASN A 18 3.932 -14.770 -3.577 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.315 -15.688 -3.043 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.752 -15.013 -4.581 1.00 0.00 N ATOM 0 H ASN A 18 2.632 -11.188 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 18 2.128 -14.055 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.248 -12.768 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.682 -12.855 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.877 -15.968 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.262 -14.246 -5.020 1.00 0.00 H new ATOM 267 N THR A 19 4.127 -14.575 -0.323 1.00 0.00 N ATOM 268 CA THR A 19 4.859 -14.951 0.885 1.00 0.00 C ATOM 269 C THR A 19 6.373 -14.709 0.744 1.00 0.00 C ATOM 270 O THR A 19 7.153 -15.131 1.605 1.00 0.00 O ATOM 271 CB THR A 19 4.519 -16.421 1.231 1.00 0.00 C ATOM 272 OG1 THR A 19 3.890 -17.083 0.139 1.00 0.00 O ATOM 273 CG2 THR A 19 3.561 -16.485 2.424 1.00 0.00 C ATOM 0 H THR A 19 3.994 -15.362 -0.958 1.00 0.00 H new ATOM 0 HA THR A 19 4.546 -14.314 1.712 1.00 0.00 H new ATOM 0 HB THR A 19 5.462 -16.914 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.690 -18.009 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.333 -17.526 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.028 -16.017 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.639 -15.957 2.179 1.00 0.00 H new ATOM 281 N GLU A 20 6.798 -14.059 -0.344 1.00 0.00 N ATOM 282 CA GLU A 20 8.198 -13.914 -0.723 1.00 0.00 C ATOM 283 C GLU A 20 8.453 -12.565 -1.413 1.00 0.00 C ATOM 284 O GLU A 20 9.308 -12.433 -2.297 1.00 0.00 O ATOM 285 CB GLU A 20 8.570 -15.116 -1.598 1.00 0.00 C ATOM 286 CG GLU A 20 10.070 -15.433 -1.543 1.00 0.00 C ATOM 287 CD GLU A 20 10.306 -16.922 -1.775 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.041 -17.711 -0.840 1.00 0.00 O ATOM 289 OE2 GLU A 20 10.741 -17.307 -2.889 1.00 0.00 O ATOM 0 H GLU A 20 6.158 -13.610 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 20 8.838 -13.907 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.004 -15.989 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.281 -14.915 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.599 -14.852 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.475 -15.140 -0.574 1.00 0.00 H new ATOM 296 N THR A 21 7.656 -11.552 -1.084 1.00 0.00 N ATOM 297 CA THR A 21 7.888 -10.177 -1.513 1.00 0.00 C ATOM 298 C THR A 21 8.851 -9.508 -0.515 1.00 0.00 C ATOM 299 O THR A 21 9.232 -10.093 0.500 1.00 0.00 O ATOM 300 CB THR A 21 6.512 -9.509 -1.701 1.00 0.00 C ATOM 301 OG1 THR A 21 5.724 -10.290 -2.587 1.00 0.00 O ATOM 302 CG2 THR A 21 6.578 -8.098 -2.292 1.00 0.00 C ATOM 0 H THR A 21 6.823 -11.664 -0.506 1.00 0.00 H new ATOM 0 HA THR A 21 8.389 -10.089 -2.477 1.00 0.00 H new ATOM 0 HB THR A 21 6.083 -9.439 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.848 -9.867 -2.706 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.569 -7.698 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.160 -7.454 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.053 -8.136 -3.273 1.00 0.00 H new ATOM 310 N ASN A 22 9.333 -8.303 -0.821 1.00 0.00 N ATOM 311 CA ASN A 22 10.227 -7.525 0.029 1.00 0.00 C ATOM 312 C ASN A 22 9.854 -6.057 -0.140 1.00 0.00 C ATOM 313 O ASN A 22 9.125 -5.701 -1.066 1.00 0.00 O ATOM 314 CB ASN A 22 11.698 -7.773 -0.334 1.00 0.00 C ATOM 315 CG ASN A 22 12.126 -9.200 -0.040 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.146 -9.629 1.109 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.456 -9.960 -1.067 1.00 0.00 N ATOM 0 H ASN A 22 9.103 -7.829 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 22 10.115 -7.825 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.851 -7.560 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.330 -7.083 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.736 -10.929 -0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.431 -9.579 -2.013 1.00 0.00 H new ATOM 324 N GLU A 23 10.392 -5.187 0.706 1.00 0.00 N ATOM 325 CA GLU A 23 10.105 -3.744 0.664 1.00 0.00 C ATOM 326 C GLU A 23 10.700 -3.192 -0.632 1.00 0.00 C ATOM 327 O GLU A 23 9.999 -2.576 -1.433 1.00 0.00 O ATOM 328 CB GLU A 23 10.654 -3.035 1.927 1.00 0.00 C ATOM 329 CG GLU A 23 9.962 -3.574 3.194 1.00 0.00 C ATOM 330 CD GLU A 23 10.714 -3.371 4.513 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.919 -3.717 4.592 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.067 -3.046 5.533 1.00 0.00 O ATOM 0 H GLU A 23 11.042 -5.455 1.445 1.00 0.00 H new ATOM 0 HA GLU A 23 9.031 -3.559 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.730 -3.191 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.492 -1.960 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.985 -3.098 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.786 -4.641 3.061 1.00 0.00 H new ATOM 339 N LYS A 24 11.952 -3.556 -0.924 1.00 0.00 N ATOM 340 CA LYS A 24 12.570 -3.275 -2.218 1.00 0.00 C ATOM 341 C LYS A 24 11.761 -3.793 -3.400 1.00 0.00 C ATOM 342 O LYS A 24 11.841 -3.220 -4.479 1.00 0.00 O ATOM 343 CB LYS A 24 14.007 -3.825 -2.250 1.00 0.00 C ATOM 344 CG LYS A 24 14.126 -5.367 -2.238 1.00 0.00 C ATOM 345 CD LYS A 24 14.452 -5.995 -3.603 1.00 0.00 C ATOM 346 CE LYS A 24 15.880 -5.627 -4.020 1.00 0.00 C ATOM 347 NZ LYS A 24 16.300 -6.267 -5.282 1.00 0.00 N ATOM 0 H LYS A 24 12.561 -4.051 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 24 12.595 -2.191 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.504 -3.446 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.549 -3.429 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.901 -5.653 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.189 -5.788 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.348 -7.079 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.743 -5.644 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.953 -4.545 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.569 -5.916 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.273 -5.979 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.260 -7.301 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.663 -5.972 -6.049 1.00 0.00 H new ATOM 361 N ALA A 25 11.014 -4.890 -3.258 1.00 0.00 N ATOM 362 CA ALA A 25 10.256 -5.452 -4.368 1.00 0.00 C ATOM 363 C ALA A 25 8.971 -4.655 -4.603 1.00 0.00 C ATOM 364 O ALA A 25 8.552 -4.495 -5.749 1.00 0.00 O ATOM 365 CB ALA A 25 9.955 -6.922 -4.085 1.00 0.00 C ATOM 0 H ALA A 25 10.920 -5.404 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 25 10.850 -5.388 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.388 -7.344 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.891 -7.469 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.371 -7.004 -3.168 1.00 0.00 H new ATOM 371 N LEU A 26 8.354 -4.147 -3.533 1.00 0.00 N ATOM 372 CA LEU A 26 7.148 -3.326 -3.585 1.00 0.00 C ATOM 373 C LEU A 26 7.379 -2.005 -4.303 1.00 0.00 C ATOM 374 O LEU A 26 6.459 -1.516 -4.963 1.00 0.00 O ATOM 375 CB LEU A 26 6.654 -3.044 -2.156 1.00 0.00 C ATOM 376 CG LEU A 26 5.717 -4.112 -1.566 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.181 -3.605 -0.222 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.534 -4.432 -2.495 1.00 0.00 C ATOM 0 H LEU A 26 8.691 -4.301 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 26 6.399 -3.884 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.520 -2.942 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.136 -2.085 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 26 6.290 -5.031 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.514 -4.352 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.014 -3.426 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.633 -2.676 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.903 -5.191 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.949 -3.528 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.910 -4.804 -3.448 1.00 0.00 H new ATOM 390 N GLU A 27 8.592 -1.457 -4.229 1.00 0.00 N ATOM 391 CA GLU A 27 8.948 -0.243 -4.954 1.00 0.00 C ATOM 392 C GLU A 27 8.628 -0.411 -6.441 1.00 0.00 C ATOM 393 O GLU A 27 8.043 0.464 -7.069 1.00 0.00 O ATOM 394 CB GLU A 27 10.452 0.005 -4.870 1.00 0.00 C ATOM 395 CG GLU A 27 10.986 0.488 -3.529 1.00 0.00 C ATOM 396 CD GLU A 27 12.517 0.411 -3.528 1.00 0.00 C ATOM 397 OE1 GLU A 27 13.151 0.511 -4.612 1.00 0.00 O ATOM 398 OE2 GLU A 27 13.085 0.246 -2.425 1.00 0.00 O ATOM 0 H GLU A 27 9.351 -1.842 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 27 8.387 0.580 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.966 -0.921 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.720 0.740 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.663 1.513 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.580 -0.123 -2.723 1.00 0.00 H new ATOM 405 N ALA A 28 9.017 -1.552 -7.014 1.00 0.00 N ATOM 406 CA ALA A 28 8.871 -1.816 -8.439 1.00 0.00 C ATOM 407 C ALA A 28 7.435 -2.176 -8.819 1.00 0.00 C ATOM 408 O ALA A 28 7.142 -2.298 -10.009 1.00 0.00 O ATOM 409 CB ALA A 28 9.829 -2.934 -8.844 1.00 0.00 C ATOM 0 H ALA A 28 9.444 -2.320 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 28 9.117 -0.902 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.723 -3.135 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.854 -2.630 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.594 -3.836 -8.279 1.00 0.00 H new ATOM 415 N VAL A 29 6.544 -2.387 -7.847 1.00 0.00 N ATOM 416 CA VAL A 29 5.123 -2.503 -8.121 1.00 0.00 C ATOM 417 C VAL A 29 4.617 -1.085 -8.365 1.00 0.00 C ATOM 418 O VAL A 29 4.191 -0.767 -9.473 1.00 0.00 O ATOM 419 CB VAL A 29 4.386 -3.227 -6.972 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.887 -3.363 -7.259 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.957 -4.631 -6.731 1.00 0.00 C ATOM 0 H VAL A 29 6.790 -2.480 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 29 4.930 -3.118 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 29 4.534 -2.613 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.403 -3.877 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.448 -2.372 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.742 -3.936 -8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.414 -5.110 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.851 -5.227 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.012 -4.555 -6.468 1.00 0.00 H new ATOM 431 N PHE A 30 4.670 -0.223 -7.345 1.00 0.00 N ATOM 432 CA PHE A 30 3.891 1.008 -7.348 1.00 0.00 C ATOM 433 C PHE A 30 4.716 2.261 -7.695 1.00 0.00 C ATOM 434 O PHE A 30 4.140 3.328 -7.869 1.00 0.00 O ATOM 435 CB PHE A 30 3.168 1.179 -6.006 1.00 0.00 C ATOM 436 CG PHE A 30 2.116 0.152 -5.611 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.760 0.365 -5.935 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.467 -0.944 -4.797 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.230 -0.517 -5.468 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.476 -1.825 -4.325 1.00 0.00 C ATOM 441 CZ PHE A 30 0.126 -1.607 -4.656 1.00 0.00 C ATOM 0 H PHE A 30 5.243 -0.359 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 30 3.156 0.910 -8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.925 1.197 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.690 2.159 -6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.481 1.211 -6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.502 -1.109 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.265 -0.357 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.752 -2.668 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.636 -2.277 -4.286 1.00 0.00 H new ATOM 451 N GLY A 31 6.044 2.192 -7.810 1.00 0.00 N ATOM 452 CA GLY A 31 6.904 3.374 -7.922 1.00 0.00 C ATOM 453 C GLY A 31 6.552 4.251 -9.121 1.00 0.00 C ATOM 454 O GLY A 31 6.464 5.476 -9.010 1.00 0.00 O ATOM 0 H GLY A 31 6.557 1.310 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.823 3.965 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.943 3.055 -8.004 1.00 0.00 H new ATOM 458 N LYS A 32 6.284 3.596 -10.253 1.00 0.00 N ATOM 459 CA LYS A 32 5.866 4.188 -11.524 1.00 0.00 C ATOM 460 C LYS A 32 4.528 4.936 -11.463 1.00 0.00 C ATOM 461 O LYS A 32 4.099 5.479 -12.478 1.00 0.00 O ATOM 462 CB LYS A 32 5.851 3.086 -12.609 1.00 0.00 C ATOM 463 CG LYS A 32 4.826 1.972 -12.321 1.00 0.00 C ATOM 464 CD LYS A 32 4.987 0.744 -13.225 1.00 0.00 C ATOM 465 CE LYS A 32 3.999 -0.318 -12.728 1.00 0.00 C ATOM 466 NZ LYS A 32 4.131 -1.618 -13.412 1.00 0.00 N ATOM 0 H LYS A 32 6.357 2.580 -10.309 1.00 0.00 H new ATOM 0 HA LYS A 32 6.595 4.958 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.626 3.538 -13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.845 2.646 -12.686 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.921 1.662 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.820 2.374 -12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.784 1.002 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.009 0.368 -13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.145 -0.464 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.983 0.052 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.433 -2.286 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.964 -1.493 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.089 -1.993 -13.262 1.00 0.00 H new ATOM 480 N TYR A 33 3.838 4.928 -10.322 1.00 0.00 N ATOM 481 CA TYR A 33 2.532 5.542 -10.196 1.00 0.00 C ATOM 482 C TYR A 33 2.646 6.992 -9.735 1.00 0.00 C ATOM 483 O TYR A 33 1.682 7.728 -9.951 1.00 0.00 O ATOM 484 CB TYR A 33 1.652 4.781 -9.204 1.00 0.00 C ATOM 485 CG TYR A 33 1.193 3.404 -9.653 1.00 0.00 C ATOM 486 CD1 TYR A 33 2.097 2.396 -10.031 1.00 0.00 C ATOM 487 CD2 TYR A 33 -0.176 3.114 -9.637 1.00 0.00 C ATOM 488 CE1 TYR A 33 1.643 1.110 -10.352 1.00 0.00 C ATOM 489 CE2 TYR A 33 -0.633 1.813 -9.900 1.00 0.00 C ATOM 490 CZ TYR A 33 0.277 0.798 -10.266 1.00 0.00 C ATOM 491 OH TYR A 33 -0.124 -0.478 -10.512 1.00 0.00 O ATOM 0 H TYR A 33 4.176 4.493 -9.463 1.00 0.00 H new ATOM 0 HA TYR A 33 2.074 5.509 -11.184 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.200 4.674 -8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.771 5.386 -8.990 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.154 2.615 -10.074 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.887 3.898 -9.420 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.348 0.355 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.686 1.588 -9.822 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.089 -0.491 -10.682 1.00 0.00 H new ATOM 501 N GLY A 34 3.753 7.387 -9.082 1.00 0.00 N ATOM 502 CA GLY A 34 3.780 8.658 -8.360 1.00 0.00 C ATOM 503 C GLY A 34 4.886 8.871 -7.321 1.00 0.00 C ATOM 504 O GLY A 34 4.726 9.745 -6.475 1.00 0.00 O ATOM 0 H GLY A 34 4.621 6.853 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.854 9.459 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.821 8.776 -7.856 1.00 0.00 H new ATOM 508 N ARG A 35 5.994 8.112 -7.359 1.00 0.00 N ATOM 509 CA ARG A 35 7.034 8.034 -6.313 1.00 0.00 C ATOM 510 C ARG A 35 6.486 7.496 -4.984 1.00 0.00 C ATOM 511 O ARG A 35 5.299 7.565 -4.676 1.00 0.00 O ATOM 512 CB ARG A 35 7.781 9.372 -6.063 1.00 0.00 C ATOM 513 CG ARG A 35 8.886 9.762 -7.056 1.00 0.00 C ATOM 514 CD ARG A 35 8.399 10.472 -8.328 1.00 0.00 C ATOM 515 NE ARG A 35 7.948 9.549 -9.376 1.00 0.00 N ATOM 516 CZ ARG A 35 8.701 8.779 -10.166 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.021 8.687 -10.021 1.00 0.00 N ATOM 518 NH2 ARG A 35 8.116 8.093 -11.128 1.00 0.00 N ATOM 0 H ARG A 35 6.201 7.508 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 35 7.761 7.327 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.042 10.173 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.223 9.330 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.598 10.411 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.427 8.861 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.580 11.144 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.206 11.090 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 35 6.940 9.488 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.491 9.216 -9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.562 8.088 -10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.106 8.156 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.673 7.499 -11.742 1.00 0.00 H new ATOM 532 N ILE A 36 7.384 6.944 -4.172 1.00 0.00 N ATOM 533 CA ILE A 36 7.100 6.296 -2.904 1.00 0.00 C ATOM 534 C ILE A 36 8.162 6.764 -1.930 1.00 0.00 C ATOM 535 O ILE A 36 9.348 6.762 -2.273 1.00 0.00 O ATOM 536 CB ILE A 36 7.166 4.768 -3.088 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.153 4.351 -4.158 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.953 4.018 -1.767 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.998 2.845 -4.329 1.00 0.00 C ATOM 0 H ILE A 36 8.379 6.939 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 36 6.106 6.547 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 36 8.167 4.494 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.182 4.777 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.453 4.783 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.008 2.944 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.726 4.308 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.973 4.269 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.262 2.641 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.956 2.411 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.665 2.404 -3.389 1.00 0.00 H new ATOM 551 N VAL A 37 7.746 7.111 -0.719 1.00 0.00 N ATOM 552 CA VAL A 37 8.619 7.671 0.304 1.00 0.00 C ATOM 553 C VAL A 37 8.478 6.934 1.642 1.00 0.00 C ATOM 554 O VAL A 37 9.041 7.378 2.644 1.00 0.00 O ATOM 555 CB VAL A 37 8.367 9.189 0.387 1.00 0.00 C ATOM 556 CG1 VAL A 37 8.776 9.870 -0.927 1.00 0.00 C ATOM 557 CG2 VAL A 37 6.899 9.520 0.705 1.00 0.00 C ATOM 0 H VAL A 37 6.778 7.010 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 37 9.664 7.524 0.030 1.00 0.00 H new ATOM 0 HB VAL A 37 8.978 9.569 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.592 10.942 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.836 9.695 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.191 9.457 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.772 10.602 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.257 9.114 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.626 9.080 1.664 1.00 0.00 H new ATOM 567 N GLU A 38 7.723 5.831 1.678 1.00 0.00 N ATOM 568 CA GLU A 38 7.568 4.949 2.826 1.00 0.00 C ATOM 569 C GLU A 38 7.072 3.593 2.282 1.00 0.00 C ATOM 570 O GLU A 38 6.241 3.555 1.368 1.00 0.00 O ATOM 571 CB GLU A 38 6.605 5.625 3.838 1.00 0.00 C ATOM 572 CG GLU A 38 7.338 6.140 5.092 1.00 0.00 C ATOM 573 CD GLU A 38 6.787 7.460 5.674 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.663 7.471 6.229 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.501 8.489 5.650 1.00 0.00 O ATOM 0 H GLU A 38 7.183 5.521 0.870 1.00 0.00 H new ATOM 0 HA GLU A 38 8.496 4.769 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.096 6.457 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.837 4.912 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.290 5.372 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.391 6.280 4.847 1.00 0.00 H new ATOM 582 N VAL A 39 7.616 2.474 2.774 1.00 0.00 N ATOM 583 CA VAL A 39 7.253 1.102 2.411 1.00 0.00 C ATOM 584 C VAL A 39 7.124 0.313 3.715 1.00 0.00 C ATOM 585 O VAL A 39 8.033 0.406 4.544 1.00 0.00 O ATOM 586 CB VAL A 39 8.318 0.448 1.481 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.737 -0.842 0.896 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.861 1.301 0.313 1.00 0.00 C ATOM 0 H VAL A 39 8.359 2.504 3.472 1.00 0.00 H new ATOM 0 HA VAL A 39 6.316 1.101 1.854 1.00 0.00 H new ATOM 0 HB VAL A 39 9.177 0.292 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.474 -1.309 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.484 -1.527 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.839 -0.610 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.593 0.722 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.039 1.584 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.335 2.199 0.708 1.00 0.00 H new ATOM 598 N LEU A 40 6.052 -0.472 3.893 1.00 0.00 N ATOM 599 CA LEU A 40 5.818 -1.236 5.115 1.00 0.00 C ATOM 600 C LEU A 40 5.306 -2.633 4.762 1.00 0.00 C ATOM 601 O LEU A 40 4.122 -2.838 4.485 1.00 0.00 O ATOM 602 CB LEU A 40 4.862 -0.453 6.028 1.00 0.00 C ATOM 603 CG LEU A 40 4.981 -0.863 7.509 1.00 0.00 C ATOM 604 CD1 LEU A 40 4.527 0.265 8.442 1.00 0.00 C ATOM 605 CD2 LEU A 40 4.160 -2.114 7.828 1.00 0.00 C ATOM 0 H LEU A 40 5.324 -0.592 3.189 1.00 0.00 H new ATOM 0 HA LEU A 40 6.747 -1.375 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.068 0.613 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.837 -0.611 5.693 1.00 0.00 H new ATOM 0 HG LEU A 40 6.037 -1.077 7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.624 -0.059 9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.148 1.146 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.486 0.511 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.274 -2.365 8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.109 -1.924 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.511 -2.945 7.217 1.00 0.00 H new ATOM 617 N LEU A 41 6.219 -3.602 4.729 1.00 0.00 N ATOM 618 CA LEU A 41 5.890 -5.010 4.525 1.00 0.00 C ATOM 619 C LEU A 41 5.531 -5.650 5.867 1.00 0.00 C ATOM 620 O LEU A 41 5.967 -5.162 6.912 1.00 0.00 O ATOM 621 CB LEU A 41 7.118 -5.711 3.931 1.00 0.00 C ATOM 622 CG LEU A 41 6.781 -6.882 3.001 1.00 0.00 C ATOM 623 CD1 LEU A 41 6.364 -6.352 1.624 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.011 -7.766 2.844 1.00 0.00 C ATOM 0 H LEU A 41 7.218 -3.429 4.844 1.00 0.00 H new ATOM 0 HA LEU A 41 5.040 -5.105 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.708 -4.980 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.744 -6.076 4.745 1.00 0.00 H new ATOM 0 HG LEU A 41 5.960 -7.457 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.126 -7.190 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.487 -5.714 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.182 -5.775 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.777 -8.601 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.826 -7.182 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.311 -8.148 3.820 1.00 0.00 H new ATOM 636 N MET A 42 4.848 -6.794 5.852 1.00 0.00 N ATOM 637 CA MET A 42 4.563 -7.592 7.040 1.00 0.00 C ATOM 638 C MET A 42 5.293 -8.921 6.872 1.00 0.00 C ATOM 639 O MET A 42 5.243 -9.512 5.790 1.00 0.00 O ATOM 640 CB MET A 42 3.047 -7.795 7.206 1.00 0.00 C ATOM 641 CG MET A 42 2.241 -6.508 6.976 1.00 0.00 C ATOM 642 SD MET A 42 2.549 -5.099 8.071 1.00 0.00 S ATOM 643 CE MET A 42 2.072 -5.778 9.674 1.00 0.00 C ATOM 0 H MET A 42 4.470 -7.199 4.995 1.00 0.00 H new ATOM 0 HA MET A 42 4.908 -7.087 7.943 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.709 -8.559 6.505 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.844 -8.170 8.209 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.422 -6.180 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.183 -6.760 7.047 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.308 -5.145 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.676 -6.784 9.539 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.944 -5.816 10.327 1.00 0.00 H new ATOM 653 N LYS A 43 5.962 -9.411 7.917 1.00 0.00 N ATOM 654 CA LYS A 43 6.785 -10.615 7.844 1.00 0.00 C ATOM 655 C LYS A 43 6.452 -11.561 8.975 1.00 0.00 C ATOM 656 O LYS A 43 6.170 -11.150 10.103 1.00 0.00 O ATOM 657 CB LYS A 43 8.280 -10.277 7.837 1.00 0.00 C ATOM 658 CG LYS A 43 8.700 -9.611 6.523 1.00 0.00 C ATOM 659 CD LYS A 43 10.138 -9.102 6.631 1.00 0.00 C ATOM 660 CE LYS A 43 10.521 -8.265 5.407 1.00 0.00 C ATOM 661 NZ LYS A 43 11.963 -7.953 5.382 1.00 0.00 N ATOM 0 H LYS A 43 5.947 -8.980 8.841 1.00 0.00 H new ATOM 0 HA LYS A 43 6.558 -11.113 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.508 -9.613 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.860 -11.187 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.618 -10.324 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.029 -8.783 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.248 -8.502 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.820 -9.947 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.251 -8.805 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.949 -7.337 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.181 -7.385 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.217 -7.416 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.509 -8.838 5.355 1.00 0.00 H new ATOM 675 N ASP A 44 6.512 -12.833 8.631 1.00 0.00 N ATOM 676 CA ASP A 44 6.220 -14.011 9.418 1.00 0.00 C ATOM 677 C ASP A 44 7.177 -14.155 10.595 1.00 0.00 C ATOM 678 O ASP A 44 8.269 -13.587 10.603 1.00 0.00 O ATOM 679 CB ASP A 44 6.344 -15.244 8.514 1.00 0.00 C ATOM 680 CG ASP A 44 5.390 -16.307 9.015 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.185 -16.219 8.704 1.00 0.00 O ATOM 682 OD2 ASP A 44 5.819 -17.161 9.817 1.00 0.00 O ATOM 0 H ASP A 44 6.799 -13.092 7.687 1.00 0.00 H new ATOM 0 HA ASP A 44 5.210 -13.918 9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.110 -14.982 7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.367 -15.619 8.524 1.00 0.00 H new ATOM 687 N ARG A 45 6.790 -14.924 11.613 1.00 0.00 N ATOM 688 CA ARG A 45 7.638 -15.286 12.747 1.00 0.00 C ATOM 689 C ARG A 45 8.492 -16.520 12.448 1.00 0.00 C ATOM 690 O ARG A 45 9.461 -16.742 13.168 1.00 0.00 O ATOM 691 CB ARG A 45 6.754 -15.479 13.996 1.00 0.00 C ATOM 692 CG ARG A 45 7.576 -15.658 15.285 1.00 0.00 C ATOM 693 CD ARG A 45 7.631 -17.124 15.728 1.00 0.00 C ATOM 694 NE ARG A 45 8.651 -17.367 16.764 1.00 0.00 N ATOM 695 CZ ARG A 45 8.450 -17.834 18.003 1.00 0.00 C ATOM 696 NH1 ARG A 45 7.225 -18.101 18.448 1.00 0.00 N ATOM 697 NH2 ARG A 45 9.489 -18.032 18.802 1.00 0.00 N ATOM 0 H ARG A 45 5.853 -15.322 11.672 1.00 0.00 H new ATOM 0 HA ARG A 45 8.343 -14.477 12.938 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.096 -14.617 14.107 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.116 -16.351 13.853 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.589 -15.289 15.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.140 -15.054 16.081 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.654 -17.421 16.109 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.841 -17.753 14.863 1.00 0.00 H new ATOM 0 HE ARG A 45 9.616 -17.156 16.509 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.418 -17.951 17.842 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.093 -18.456 19.395 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.432 -17.829 18.472 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.345 -18.387 19.747 1.00 0.00 H new ATOM 711 N GLU A 46 8.183 -17.308 11.420 1.00 0.00 N ATOM 712 CA GLU A 46 8.881 -18.540 11.102 1.00 0.00 C ATOM 713 C GLU A 46 10.327 -18.187 10.754 1.00 0.00 C ATOM 714 O GLU A 46 11.245 -18.459 11.530 1.00 0.00 O ATOM 715 CB GLU A 46 8.131 -19.239 9.953 1.00 0.00 C ATOM 716 CG GLU A 46 8.725 -20.586 9.522 1.00 0.00 C ATOM 717 CD GLU A 46 8.541 -21.718 10.540 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.703 -21.600 11.458 1.00 0.00 O ATOM 719 OE2 GLU A 46 9.201 -22.765 10.357 1.00 0.00 O ATOM 0 H GLU A 46 7.422 -17.098 10.774 1.00 0.00 H new ATOM 0 HA GLU A 46 8.906 -19.236 11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.096 -19.395 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.114 -18.573 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.268 -20.885 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.790 -20.455 9.332 1.00 0.00 H new ATOM 726 N THR A 47 10.535 -17.543 9.602 1.00 0.00 N ATOM 727 CA THR A 47 11.868 -17.479 9.007 1.00 0.00 C ATOM 728 C THR A 47 11.957 -16.226 8.119 1.00 0.00 C ATOM 729 O THR A 47 12.296 -16.269 6.939 1.00 0.00 O ATOM 730 CB THR A 47 12.105 -18.846 8.320 1.00 0.00 C ATOM 731 OG1 THR A 47 13.461 -19.076 8.030 1.00 0.00 O ATOM 732 CG2 THR A 47 11.237 -19.085 7.107 1.00 0.00 C ATOM 0 H THR A 47 9.807 -17.065 9.071 1.00 0.00 H new ATOM 0 HA THR A 47 12.682 -17.349 9.720 1.00 0.00 H new ATOM 0 HB THR A 47 11.794 -19.582 9.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.560 -19.951 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.464 -20.064 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.187 -19.050 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.432 -18.314 6.362 1.00 0.00 H new ATOM 740 N ASN A 48 11.529 -15.083 8.666 1.00 0.00 N ATOM 741 CA ASN A 48 11.474 -13.780 7.992 1.00 0.00 C ATOM 742 C ASN A 48 10.658 -13.761 6.680 1.00 0.00 C ATOM 743 O ASN A 48 10.679 -12.755 5.972 1.00 0.00 O ATOM 744 CB ASN A 48 12.906 -13.234 7.804 1.00 0.00 C ATOM 745 CG ASN A 48 12.936 -11.714 7.729 1.00 0.00 C ATOM 746 OD1 ASN A 48 13.068 -11.121 6.664 1.00 0.00 O ATOM 747 ND2 ASN A 48 12.807 -11.045 8.862 1.00 0.00 N ATOM 0 H ASN A 48 11.198 -15.038 9.630 1.00 0.00 H new ATOM 0 HA ASN A 48 10.915 -13.112 8.647 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.532 -13.568 8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.335 -13.650 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.817 -10.025 8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.698 -11.549 9.742 1.00 0.00 H new ATOM 754 N LYS A 49 9.936 -14.841 6.334 1.00 0.00 N ATOM 755 CA LYS A 49 9.032 -14.952 5.180 1.00 0.00 C ATOM 756 C LYS A 49 8.021 -13.805 5.213 1.00 0.00 C ATOM 757 O LYS A 49 7.785 -13.235 6.273 1.00 0.00 O ATOM 758 CB LYS A 49 8.328 -16.329 5.222 1.00 0.00 C ATOM 759 CG LYS A 49 8.717 -17.289 4.077 1.00 0.00 C ATOM 760 CD LYS A 49 9.011 -18.743 4.495 1.00 0.00 C ATOM 761 CE LYS A 49 7.897 -19.443 5.278 1.00 0.00 C ATOM 762 NZ LYS A 49 8.184 -20.882 5.490 1.00 0.00 N ATOM 0 H LYS A 49 9.970 -15.702 6.880 1.00 0.00 H new ATOM 0 HA LYS A 49 9.592 -14.880 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.556 -16.809 6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.250 -16.171 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.910 -17.297 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.598 -16.889 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.221 -19.325 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.917 -18.752 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.770 -18.953 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.955 -19.337 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.404 -21.317 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.280 -21.356 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.070 -20.984 6.026 1.00 0.00 H new ATOM 776 N SER A 50 7.397 -13.471 4.094 1.00 0.00 N ATOM 777 CA SER A 50 6.424 -12.376 4.067 1.00 0.00 C ATOM 778 C SER A 50 5.065 -12.861 4.589 1.00 0.00 C ATOM 779 O SER A 50 4.863 -14.065 4.767 1.00 0.00 O ATOM 780 CB SER A 50 6.298 -11.810 2.651 1.00 0.00 C ATOM 781 OG SER A 50 7.535 -11.863 1.967 1.00 0.00 O ATOM 0 H SER A 50 7.541 -13.934 3.197 1.00 0.00 H new ATOM 0 HA SER A 50 6.774 -11.577 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.548 -12.374 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.950 -10.778 2.699 1.00 0.00 H new ATOM 0 HG SER A 50 7.734 -10.984 1.582 1.00 0.00 H new ATOM 787 N ARG A 51 4.102 -11.955 4.800 1.00 0.00 N ATOM 788 CA ARG A 51 2.688 -12.317 4.966 1.00 0.00 C ATOM 789 C ARG A 51 1.855 -11.593 3.923 1.00 0.00 C ATOM 790 O ARG A 51 2.261 -10.551 3.407 1.00 0.00 O ATOM 791 CB ARG A 51 2.145 -12.036 6.382 1.00 0.00 C ATOM 792 CG ARG A 51 3.210 -12.097 7.492 1.00 0.00 C ATOM 793 CD ARG A 51 2.648 -12.481 8.861 1.00 0.00 C ATOM 794 NE ARG A 51 2.487 -13.941 8.980 1.00 0.00 N ATOM 795 CZ ARG A 51 1.742 -14.612 9.866 1.00 0.00 C ATOM 796 NH1 ARG A 51 0.968 -14.001 10.750 1.00 0.00 N ATOM 797 NH2 ARG A 51 1.779 -15.932 9.844 1.00 0.00 N ATOM 0 H ARG A 51 4.280 -10.952 4.860 1.00 0.00 H new ATOM 0 HA ARG A 51 2.614 -13.395 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.683 -11.049 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.360 -12.758 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.977 -12.818 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.698 -11.126 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.314 -12.121 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.685 -11.993 9.012 1.00 0.00 H new ATOM 0 HE ARG A 51 3.005 -14.507 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.925 -12.982 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.415 -14.549 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.365 -16.414 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.221 -16.469 10.508 1.00 0.00 H new ATOM 811 N GLY A 52 0.639 -12.079 3.698 1.00 0.00 N ATOM 812 CA GLY A 52 -0.194 -11.716 2.568 1.00 0.00 C ATOM 813 C GLY A 52 -0.952 -10.405 2.758 1.00 0.00 C ATOM 814 O GLY A 52 -2.112 -10.327 2.353 1.00 0.00 O ATOM 0 H GLY A 52 0.197 -12.757 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.431 -11.638 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.911 -12.516 2.385 1.00 0.00 H new ATOM 818 N PHE A 53 -0.383 -9.396 3.414 1.00 0.00 N ATOM 819 CA PHE A 53 -0.958 -8.056 3.590 1.00 0.00 C ATOM 820 C PHE A 53 0.189 -7.067 3.789 1.00 0.00 C ATOM 821 O PHE A 53 1.218 -7.472 4.322 1.00 0.00 O ATOM 822 CB PHE A 53 -1.979 -8.053 4.731 1.00 0.00 C ATOM 823 CG PHE A 53 -1.433 -8.209 6.138 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.853 -9.422 6.562 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.533 -7.137 7.043 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.354 -9.551 7.869 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.077 -7.286 8.362 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.476 -8.486 8.774 1.00 0.00 C ATOM 0 H PHE A 53 0.531 -9.490 3.858 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.515 -7.748 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.537 -7.118 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.691 -8.858 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.792 -10.256 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.961 -6.199 6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.123 -10.470 8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.189 -6.473 9.064 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.109 -8.589 9.784 1.00 0.00 H new ATOM 838 N ALA A 54 0.071 -5.822 3.322 1.00 0.00 N ATOM 839 CA ALA A 54 1.150 -4.830 3.315 1.00 0.00 C ATOM 840 C ALA A 54 0.590 -3.404 3.247 1.00 0.00 C ATOM 841 O ALA A 54 -0.608 -3.200 3.015 1.00 0.00 O ATOM 842 CB ALA A 54 2.062 -5.081 2.104 1.00 0.00 C ATOM 0 H ALA A 54 -0.800 -5.466 2.928 1.00 0.00 H new ATOM 0 HA ALA A 54 1.718 -4.930 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.866 -4.345 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.487 -6.082 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.480 -4.994 1.186 1.00 0.00 H new ATOM 848 N PHE A 55 1.460 -2.402 3.407 1.00 0.00 N ATOM 849 CA PHE A 55 1.124 -0.992 3.328 1.00 0.00 C ATOM 850 C PHE A 55 2.200 -0.269 2.498 1.00 0.00 C ATOM 851 O PHE A 55 3.352 -0.706 2.434 1.00 0.00 O ATOM 852 CB PHE A 55 0.949 -0.484 4.770 1.00 0.00 C ATOM 853 CG PHE A 55 0.938 1.018 4.943 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.099 1.816 4.148 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.809 1.625 5.865 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.187 3.214 4.222 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.869 3.022 5.968 1.00 0.00 C ATOM 858 CZ PHE A 55 1.076 3.815 5.128 1.00 0.00 C ATOM 0 H PHE A 55 2.448 -2.564 3.601 1.00 0.00 H new ATOM 0 HA PHE A 55 0.186 -0.795 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.014 -0.883 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.754 -0.895 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.613 1.354 3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.435 1.012 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.429 3.828 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.524 3.485 6.692 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.149 4.891 5.177 1.00 0.00 H new ATOM 868 N VAL A 56 1.789 0.792 1.801 1.00 0.00 N ATOM 869 CA VAL A 56 2.538 1.558 0.815 1.00 0.00 C ATOM 870 C VAL A 56 2.093 3.010 0.999 1.00 0.00 C ATOM 871 O VAL A 56 0.886 3.253 1.158 1.00 0.00 O ATOM 872 CB VAL A 56 2.195 1.033 -0.605 1.00 0.00 C ATOM 873 CG1 VAL A 56 2.617 1.925 -1.783 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.752 -0.381 -0.850 1.00 0.00 C ATOM 0 H VAL A 56 0.847 1.164 1.925 1.00 0.00 H new ATOM 0 HA VAL A 56 3.617 1.469 0.938 1.00 0.00 H new ATOM 0 HB VAL A 56 1.105 1.033 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.324 1.453 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.129 2.896 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.698 2.060 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.488 -0.707 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.837 -0.368 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.326 -1.071 -0.121 1.00 0.00 H new ATOM 884 N THR A 57 3.037 3.949 0.925 1.00 0.00 N ATOM 885 CA THR A 57 2.779 5.368 1.098 1.00 0.00 C ATOM 886 C THR A 57 3.389 6.128 -0.068 1.00 0.00 C ATOM 887 O THR A 57 4.609 6.119 -0.282 1.00 0.00 O ATOM 888 CB THR A 57 3.352 5.897 2.412 1.00 0.00 C ATOM 889 OG1 THR A 57 3.331 4.893 3.405 1.00 0.00 O ATOM 890 CG2 THR A 57 2.522 7.082 2.916 1.00 0.00 C ATOM 0 H THR A 57 4.017 3.735 0.740 1.00 0.00 H new ATOM 0 HA THR A 57 1.699 5.516 1.128 1.00 0.00 H new ATOM 0 HB THR A 57 4.379 6.210 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.419 4.793 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.942 7.448 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.539 7.880 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.493 6.762 3.080 1.00 0.00 H new ATOM 898 N PHE A 58 2.525 6.796 -0.823 1.00 0.00 N ATOM 899 CA PHE A 58 2.971 7.716 -1.846 1.00 0.00 C ATOM 900 C PHE A 58 3.314 9.043 -1.188 1.00 0.00 C ATOM 901 O PHE A 58 2.922 9.306 -0.048 1.00 0.00 O ATOM 902 CB PHE A 58 1.922 7.823 -2.961 1.00 0.00 C ATOM 903 CG PHE A 58 1.624 6.462 -3.562 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.715 5.597 -2.922 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.366 5.996 -4.664 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.562 4.279 -3.375 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.205 4.678 -5.117 1.00 0.00 C ATOM 908 CZ PHE A 58 1.299 3.824 -4.470 1.00 0.00 C ATOM 0 H PHE A 58 1.512 6.713 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 58 3.876 7.354 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.005 8.256 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.281 8.497 -3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.135 5.949 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.061 6.655 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.127 3.614 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.777 4.322 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.171 2.810 -4.821 1.00 0.00 H new ATOM 918 N GLU A 59 4.095 9.861 -1.885 1.00 0.00 N ATOM 919 CA GLU A 59 4.490 11.152 -1.349 1.00 0.00 C ATOM 920 C GLU A 59 3.290 12.088 -1.357 1.00 0.00 C ATOM 921 O GLU A 59 2.952 12.661 -0.322 1.00 0.00 O ATOM 922 CB GLU A 59 5.701 11.668 -2.124 1.00 0.00 C ATOM 923 CG GLU A 59 6.256 12.992 -1.571 1.00 0.00 C ATOM 924 CD GLU A 59 5.683 14.193 -2.328 1.00 0.00 C ATOM 925 OE1 GLU A 59 4.549 14.629 -2.028 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.334 14.624 -3.302 1.00 0.00 O ATOM 0 H GLU A 59 4.463 9.653 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 59 4.806 11.076 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.488 10.914 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.423 11.806 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.013 13.077 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.343 12.994 -1.650 1.00 0.00 H new ATOM 933 N SER A 60 2.613 12.195 -2.498 1.00 0.00 N ATOM 934 CA SER A 60 1.496 13.106 -2.673 1.00 0.00 C ATOM 935 C SER A 60 0.182 12.314 -2.724 1.00 0.00 C ATOM 936 O SER A 60 0.150 11.168 -3.185 1.00 0.00 O ATOM 937 CB SER A 60 1.725 13.910 -3.950 1.00 0.00 C ATOM 938 OG SER A 60 2.709 14.917 -3.800 1.00 0.00 O ATOM 0 H SER A 60 2.829 11.646 -3.330 1.00 0.00 H new ATOM 0 HA SER A 60 1.425 13.797 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.025 13.233 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.786 14.370 -4.257 1.00 0.00 H new ATOM 0 HG SER A 60 3.082 14.878 -2.894 1.00 0.00 H new ATOM 944 N PRO A 61 -0.937 12.900 -2.273 1.00 0.00 N ATOM 945 CA PRO A 61 -2.181 12.165 -2.110 1.00 0.00 C ATOM 946 C PRO A 61 -2.857 11.822 -3.441 1.00 0.00 C ATOM 947 O PRO A 61 -3.488 10.763 -3.529 1.00 0.00 O ATOM 948 CB PRO A 61 -3.053 13.057 -1.229 1.00 0.00 C ATOM 949 CG PRO A 61 -2.543 14.463 -1.522 1.00 0.00 C ATOM 950 CD PRO A 61 -1.050 14.242 -1.725 1.00 0.00 C ATOM 0 HA PRO A 61 -2.004 11.190 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.110 12.955 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.947 12.804 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.014 14.888 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.743 15.146 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.631 14.983 -2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.507 14.331 -0.784 1.00 0.00 H new ATOM 958 N ALA A 62 -2.749 12.669 -4.474 1.00 0.00 N ATOM 959 CA ALA A 62 -3.362 12.380 -5.770 1.00 0.00 C ATOM 960 C ALA A 62 -2.598 11.292 -6.543 1.00 0.00 C ATOM 961 O ALA A 62 -3.102 10.755 -7.530 1.00 0.00 O ATOM 962 CB ALA A 62 -3.524 13.654 -6.605 1.00 0.00 C ATOM 0 H ALA A 62 -2.245 13.555 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.358 11.984 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.982 13.406 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.159 14.361 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.546 14.103 -6.777 1.00 0.00 H new ATOM 968 N ASP A 63 -1.406 10.906 -6.089 1.00 0.00 N ATOM 969 CA ASP A 63 -0.683 9.769 -6.644 1.00 0.00 C ATOM 970 C ASP A 63 -1.279 8.465 -6.105 1.00 0.00 C ATOM 971 O ASP A 63 -1.469 7.505 -6.854 1.00 0.00 O ATOM 972 CB ASP A 63 0.813 9.903 -6.337 1.00 0.00 C ATOM 973 CG ASP A 63 1.448 10.973 -7.231 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.449 10.784 -8.465 1.00 0.00 O ATOM 975 OD2 ASP A 63 1.837 12.046 -6.717 1.00 0.00 O ATOM 0 H ASP A 63 -0.917 11.374 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.788 9.750 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.953 10.166 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.310 8.946 -6.495 1.00 0.00 H new ATOM 980 N ALA A 64 -1.656 8.438 -4.822 1.00 0.00 N ATOM 981 CA ALA A 64 -2.185 7.242 -4.171 1.00 0.00 C ATOM 982 C ALA A 64 -3.554 6.832 -4.710 1.00 0.00 C ATOM 983 O ALA A 64 -3.823 5.637 -4.831 1.00 0.00 O ATOM 984 CB ALA A 64 -2.299 7.480 -2.671 1.00 0.00 C ATOM 0 H ALA A 64 -1.601 9.250 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.487 6.432 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.694 6.585 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.314 7.707 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.971 8.318 -2.486 1.00 0.00 H new ATOM 990 N LYS A 65 -4.427 7.790 -5.044 1.00 0.00 N ATOM 991 CA LYS A 65 -5.720 7.440 -5.639 1.00 0.00 C ATOM 992 C LYS A 65 -5.528 6.652 -6.928 1.00 0.00 C ATOM 993 O LYS A 65 -6.267 5.710 -7.188 1.00 0.00 O ATOM 994 CB LYS A 65 -6.598 8.672 -5.883 1.00 0.00 C ATOM 995 CG LYS A 65 -5.959 9.769 -6.738 1.00 0.00 C ATOM 996 CD LYS A 65 -6.914 10.872 -7.208 1.00 0.00 C ATOM 997 CE LYS A 65 -7.393 11.840 -6.125 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.411 11.266 -5.219 1.00 0.00 N ATOM 0 H LYS A 65 -4.267 8.789 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.242 6.810 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.522 8.350 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.873 9.099 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.152 10.229 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.505 9.306 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.419 11.447 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.787 10.403 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.536 12.163 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.805 12.729 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.098 12.002 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.904 10.487 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.948 10.905 -4.361 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.516 7.014 -7.712 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.220 6.359 -8.974 1.00 0.00 C ATOM 1014 C ASP A 66 -3.731 4.937 -8.719 1.00 0.00 C ATOM 1015 O ASP A 66 -4.025 4.016 -9.480 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.142 7.135 -9.727 1.00 0.00 C ATOM 1017 CG ASP A 66 -3.533 7.319 -11.189 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.437 8.134 -11.490 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -2.916 6.661 -12.056 1.00 0.00 O ATOM 0 H ASP A 66 -3.877 7.775 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.129 6.329 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.994 8.109 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.193 6.603 -9.663 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.993 4.741 -7.622 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.571 3.419 -7.203 1.00 0.00 C ATOM 1026 C ALA A 67 -3.755 2.542 -6.812 1.00 0.00 C ATOM 1027 O ALA A 67 -3.739 1.344 -7.105 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.523 3.509 -6.097 1.00 0.00 C ATOM 0 H ALA A 67 -2.678 5.494 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.101 2.931 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.222 2.505 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.654 4.055 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.944 4.031 -5.238 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.794 3.126 -6.207 1.00 0.00 N ATOM 1035 CA ALA A 68 -6.040 2.416 -5.984 1.00 0.00 C ATOM 1036 C ALA A 68 -6.843 2.225 -7.295 1.00 0.00 C ATOM 1037 O ALA A 68 -7.823 1.481 -7.266 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.879 3.108 -4.893 1.00 0.00 C ATOM 0 H ALA A 68 -4.789 4.087 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.789 1.417 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.808 2.557 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.316 3.129 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.108 4.128 -5.202 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.503 2.879 -8.423 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.308 2.876 -9.662 1.00 0.00 C ATOM 1046 C ARG A 69 -6.843 1.845 -10.677 1.00 0.00 C ATOM 1047 O ARG A 69 -7.682 1.125 -11.220 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.306 4.261 -10.331 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.270 5.234 -9.652 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.674 5.112 -10.248 1.00 0.00 C ATOM 1051 NE ARG A 69 -9.926 6.046 -11.359 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.130 6.269 -11.913 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -12.228 5.671 -11.457 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -11.243 7.095 -12.941 1.00 0.00 N ATOM 0 H ARG A 69 -5.650 3.432 -8.501 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.318 2.611 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.298 4.674 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.579 4.155 -11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.305 5.031 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.907 6.255 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.822 4.092 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.409 5.287 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.129 6.560 -11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.168 5.026 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.130 5.858 -11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.416 7.562 -13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.157 7.264 -13.361 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.543 1.769 -10.966 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.026 0.725 -11.863 1.00 0.00 C ATOM 1070 C ASP A 70 -5.310 -0.663 -11.292 1.00 0.00 C ATOM 1071 O ASP A 70 -5.570 -1.618 -12.021 1.00 0.00 O ATOM 1072 CB ASP A 70 -3.516 0.859 -12.040 1.00 0.00 C ATOM 1073 CG ASP A 70 -2.903 -0.413 -12.623 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -3.144 -0.714 -13.818 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.191 -1.121 -11.882 1.00 0.00 O ATOM 0 H ASP A 70 -4.835 2.406 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.526 0.848 -12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.299 1.702 -12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.054 1.078 -11.077 1.00 0.00 H new ATOM 1080 N MET A 71 -5.213 -0.773 -9.974 1.00 0.00 N ATOM 1081 CA MET A 71 -5.258 -2.021 -9.246 1.00 0.00 C ATOM 1082 C MET A 71 -6.642 -2.123 -8.586 1.00 0.00 C ATOM 1083 O MET A 71 -7.615 -1.616 -9.146 1.00 0.00 O ATOM 1084 CB MET A 71 -3.975 -2.101 -8.409 1.00 0.00 C ATOM 1085 CG MET A 71 -3.616 -3.529 -7.999 1.00 0.00 C ATOM 1086 SD MET A 71 -1.950 -3.726 -7.321 1.00 0.00 S ATOM 1087 CE MET A 71 -1.040 -3.114 -8.741 1.00 0.00 C ATOM 0 H MET A 71 -5.097 0.038 -9.366 1.00 0.00 H new ATOM 0 HA MET A 71 -5.217 -2.941 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.149 -1.674 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.094 -1.491 -7.514 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.338 -3.872 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.719 -4.179 -8.868 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.123 -3.691 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.653 -3.215 -9.637 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.790 -2.064 -8.588 1.00 0.00 H new ATOM 1097 N ASN A 72 -6.782 -2.855 -7.476 1.00 0.00 N ATOM 1098 CA ASN A 72 -8.032 -3.342 -6.931 1.00 0.00 C ATOM 1099 C ASN A 72 -8.789 -4.197 -7.944 1.00 0.00 C ATOM 1100 O ASN A 72 -9.737 -3.747 -8.587 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.863 -2.195 -6.374 1.00 0.00 C ATOM 1102 CG ASN A 72 -9.921 -2.769 -5.456 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -11.021 -3.151 -5.839 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.552 -2.922 -4.207 1.00 0.00 N ATOM 0 H ASN A 72 -5.979 -3.133 -6.912 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.810 -4.001 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.228 -1.497 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.329 -1.636 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.184 -3.364 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.633 -2.599 -3.903 1.00 0.00 H new ATOM 1111 N GLY A 73 -8.336 -5.444 -8.075 1.00 0.00 N ATOM 1112 CA GLY A 73 -9.019 -6.515 -8.785 1.00 0.00 C ATOM 1113 C GLY A 73 -8.153 -7.327 -9.752 1.00 0.00 C ATOM 1114 O GLY A 73 -8.667 -8.301 -10.305 1.00 0.00 O ATOM 0 H GLY A 73 -7.448 -5.743 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.449 -7.197 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.849 -6.084 -9.344 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.875 -6.978 -9.978 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.966 -7.796 -10.790 1.00 0.00 C ATOM 1120 C LYS A 74 -5.107 -8.704 -9.911 1.00 0.00 C ATOM 1121 O LYS A 74 -5.100 -8.578 -8.685 1.00 0.00 O ATOM 1122 CB LYS A 74 -5.121 -6.914 -11.730 1.00 0.00 C ATOM 1123 CG LYS A 74 -4.133 -5.998 -10.996 1.00 0.00 C ATOM 1124 CD LYS A 74 -3.314 -5.124 -11.963 1.00 0.00 C ATOM 1125 CE LYS A 74 -1.822 -5.479 -12.021 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.546 -6.829 -12.560 1.00 0.00 N ATOM 0 H LYS A 74 -6.449 -6.129 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.566 -8.450 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.567 -7.556 -12.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.788 -6.302 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.681 -5.356 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.455 -6.606 -10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.737 -5.215 -12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.416 -4.080 -11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.307 -4.741 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.402 -5.407 -11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.581 -6.858 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.635 -7.532 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.228 -7.048 -13.314 1.00 0.00 H new ATOM 1140 N SER A 75 -4.340 -9.568 -10.564 1.00 0.00 N ATOM 1141 CA SER A 75 -3.375 -10.502 -10.009 1.00 0.00 C ATOM 1142 C SER A 75 -1.979 -9.855 -9.974 1.00 0.00 C ATOM 1143 O SER A 75 -1.764 -8.756 -10.501 1.00 0.00 O ATOM 1144 CB SER A 75 -3.505 -11.769 -10.868 1.00 0.00 C ATOM 1145 OG SER A 75 -2.586 -12.788 -10.573 1.00 0.00 O ATOM 0 H SER A 75 -4.383 -9.637 -11.581 1.00 0.00 H new ATOM 0 HA SER A 75 -3.554 -10.772 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.513 -12.166 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.391 -11.491 -11.916 1.00 0.00 H new ATOM 0 HG SER A 75 -2.638 -13.010 -9.620 1.00 0.00 H new ATOM 1151 N LEU A 76 -1.064 -10.540 -9.288 1.00 0.00 N ATOM 1152 CA LEU A 76 0.385 -10.365 -9.213 1.00 0.00 C ATOM 1153 C LEU A 76 1.006 -11.679 -9.730 1.00 0.00 C ATOM 1154 O LEU A 76 0.335 -12.376 -10.491 1.00 0.00 O ATOM 1155 CB LEU A 76 0.804 -9.994 -7.779 1.00 0.00 C ATOM 1156 CG LEU A 76 2.042 -9.073 -7.755 1.00 0.00 C ATOM 1157 CD1 LEU A 76 1.678 -7.596 -7.941 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.801 -9.201 -6.429 1.00 0.00 C ATOM 0 H LEU A 76 -1.357 -11.323 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 76 0.743 -9.540 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.026 -9.498 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.019 -10.903 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 76 2.665 -9.397 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.585 -6.992 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.179 -7.462 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.011 -7.282 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.668 -8.541 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.144 -8.922 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.131 -10.231 -6.297 1.00 0.00 H new ATOM 1170 N ASP A 77 2.234 -12.053 -9.332 1.00 0.00 N ATOM 1171 CA ASP A 77 3.085 -13.023 -10.052 1.00 0.00 C ATOM 1172 C ASP A 77 2.374 -14.289 -10.539 1.00 0.00 C ATOM 1173 O ASP A 77 2.571 -14.741 -11.666 1.00 0.00 O ATOM 1174 CB ASP A 77 4.314 -13.467 -9.224 1.00 0.00 C ATOM 1175 CG ASP A 77 5.541 -13.730 -10.114 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.509 -13.493 -11.344 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.582 -14.129 -9.542 1.00 0.00 O ATOM 0 H ASP A 77 2.673 -11.685 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 77 3.391 -12.453 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.555 -12.697 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.069 -14.371 -8.667 1.00 0.00 H new ATOM 1182 N GLY A 78 1.491 -14.819 -9.702 1.00 0.00 N ATOM 1183 CA GLY A 78 0.415 -15.718 -10.096 1.00 0.00 C ATOM 1184 C GLY A 78 -0.656 -15.757 -9.010 1.00 0.00 C ATOM 1185 O GLY A 78 -1.221 -16.817 -8.732 1.00 0.00 O ATOM 0 H GLY A 78 1.505 -14.629 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.022 -15.385 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.810 -16.720 -10.265 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.858 -14.638 -8.304 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.489 -14.554 -6.990 1.00 0.00 C ATOM 1191 C LYS A 79 -2.576 -13.485 -7.061 1.00 0.00 C ATOM 1192 O LYS A 79 -2.485 -12.615 -7.926 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.426 -14.221 -5.924 1.00 0.00 C ATOM 1194 CG LYS A 79 0.781 -15.160 -5.787 1.00 0.00 C ATOM 1195 CD LYS A 79 0.392 -16.639 -5.830 1.00 0.00 C ATOM 1196 CE LYS A 79 1.330 -17.566 -5.055 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.203 -17.440 -3.588 1.00 0.00 N ATOM 0 H LYS A 79 -0.570 -13.724 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.942 -15.504 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.048 -13.220 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.926 -14.178 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.489 -14.952 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.293 -14.951 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.617 -16.748 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.360 -16.963 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.127 -18.598 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.359 -17.352 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.362 -18.367 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.909 -16.763 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.249 -17.101 -3.350 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.580 -13.489 -6.185 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.706 -12.561 -6.251 1.00 0.00 C ATOM 1213 C ALA A 80 -4.560 -11.511 -5.148 1.00 0.00 C ATOM 1214 O ALA A 80 -4.706 -11.821 -3.967 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.018 -13.344 -6.184 1.00 0.00 C ATOM 0 H ALA A 80 -3.634 -14.142 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.716 -12.022 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.858 -12.651 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.071 -14.038 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.062 -13.901 -5.248 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.182 -10.285 -5.523 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.006 -9.135 -4.628 1.00 0.00 C ATOM 1223 C ILE A 81 -5.308 -8.320 -4.534 1.00 0.00 C ATOM 1224 O ILE A 81 -6.199 -8.434 -5.376 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.856 -8.205 -5.106 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.929 -7.994 -6.629 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.459 -8.652 -4.675 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.928 -7.009 -7.207 1.00 0.00 C ATOM 0 H ILE A 81 -3.982 -10.057 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.747 -9.530 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.016 -7.253 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.786 -8.958 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.933 -7.654 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.719 -7.946 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.407 -8.686 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.253 -9.643 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.069 -6.938 -8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.080 -6.029 -6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.916 -7.353 -6.995 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.353 -7.416 -3.553 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.404 -6.428 -3.304 1.00 0.00 C ATOM 1242 C LYS A 82 -5.760 -5.100 -2.914 1.00 0.00 C ATOM 1243 O LYS A 82 -4.696 -5.136 -2.300 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.297 -6.914 -2.149 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.219 -8.062 -2.592 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.367 -8.253 -1.593 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.319 -9.394 -1.968 1.00 0.00 C ATOM 1248 NZ LYS A 82 -10.946 -9.239 -3.298 1.00 0.00 N ATOM 0 H LYS A 82 -4.604 -7.351 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.006 -6.298 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.672 -7.247 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.900 -6.084 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.623 -7.849 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.645 -8.985 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.950 -8.448 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.935 -7.325 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.770 -10.335 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.103 -9.463 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.613 -10.020 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.456 -8.334 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.210 -9.254 -4.033 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.386 -3.959 -3.231 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.828 -2.622 -2.988 1.00 0.00 C ATOM 1264 C VAL A 83 -6.951 -1.672 -2.565 1.00 0.00 C ATOM 1265 O VAL A 83 -7.637 -1.124 -3.419 1.00 0.00 O ATOM 1266 CB VAL A 83 -5.101 -2.105 -4.250 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.494 -0.712 -4.060 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.947 -3.019 -4.647 1.00 0.00 C ATOM 0 H VAL A 83 -7.307 -3.938 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.095 -2.673 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.873 -2.077 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.997 -0.403 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.284 -0.001 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.768 -0.739 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.460 -2.624 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.226 -3.070 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.329 -4.018 -4.856 1.00 0.00 H new ATOM 1278 N GLU A 84 -7.171 -1.493 -1.269 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.113 -0.520 -0.722 1.00 0.00 C ATOM 1280 C GLU A 84 -7.318 0.656 -0.156 1.00 0.00 C ATOM 1281 O GLU A 84 -6.095 0.717 -0.291 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.996 -1.189 0.356 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.727 -2.482 -0.051 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.932 -2.247 -0.969 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.769 -1.638 -2.046 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -12.040 -2.716 -0.619 1.00 0.00 O ATOM 0 H GLU A 84 -6.689 -2.032 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.780 -0.150 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.369 -1.410 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.743 -0.465 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.022 -3.144 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.062 -2.998 0.849 1.00 0.00 H new ATOM 1293 N GLN A 85 -7.984 1.613 0.487 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.342 2.751 1.116 1.00 0.00 C ATOM 1295 C GLN A 85 -7.621 2.679 2.600 1.00 0.00 C ATOM 1296 O GLN A 85 -8.777 2.740 3.020 1.00 0.00 O ATOM 1297 CB GLN A 85 -7.823 4.048 0.469 1.00 0.00 C ATOM 1298 CG GLN A 85 -7.183 4.145 -0.921 1.00 0.00 C ATOM 1299 CD GLN A 85 -7.341 5.511 -1.575 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -7.671 5.612 -2.749 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -7.092 6.593 -0.854 1.00 0.00 N ATOM 0 H GLN A 85 -8.999 1.614 0.584 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.262 2.732 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.910 4.055 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.542 4.906 1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.121 3.912 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.626 3.389 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.817 6.502 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.175 7.518 -1.277 1.00 0.00 H new ATOM 1310 N ALA A 86 -6.555 2.492 3.380 1.00 0.00 N ATOM 1311 CA ALA A 86 -6.634 2.405 4.832 1.00 0.00 C ATOM 1312 C ALA A 86 -7.153 3.735 5.380 1.00 0.00 C ATOM 1313 O ALA A 86 -6.404 4.711 5.464 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.271 2.036 5.439 1.00 0.00 C ATOM 0 H ALA A 86 -5.607 2.396 3.015 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.327 1.611 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.360 1.978 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.948 1.071 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.537 2.797 5.175 1.00 0.00 H new ATOM 1320 N THR A 87 -8.441 3.774 5.710 1.00 0.00 N ATOM 1321 CA THR A 87 -9.116 4.923 6.296 1.00 0.00 C ATOM 1322 C THR A 87 -9.775 4.520 7.632 1.00 0.00 C ATOM 1323 O THR A 87 -9.406 3.523 8.265 1.00 0.00 O ATOM 1324 CB THR A 87 -10.026 5.574 5.224 1.00 0.00 C ATOM 1325 OG1 THR A 87 -10.513 6.831 5.658 1.00 0.00 O ATOM 1326 CG2 THR A 87 -11.206 4.699 4.790 1.00 0.00 C ATOM 0 H THR A 87 -9.063 2.978 5.571 1.00 0.00 H new ATOM 0 HA THR A 87 -8.424 5.715 6.583 1.00 0.00 H new ATOM 0 HB THR A 87 -9.384 5.700 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.083 7.219 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.793 5.227 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.832 3.766 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.834 4.481 5.654 1.00 0.00 H new