USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 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 74 ASN : amide:sc= 0.649 K(o=2.2,f=0.89) USER MOD Set 1.2: A 78 THR OG1 : rot -27:sc= 1.57 USER MOD Set 2.1: A 19 TYR OH : rot 175:sc= 0.535 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.391 K(o=0.93,f=-0.58) USER MOD Single : A 14 SER OG : rot 111:sc= 1.16 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.319 F(o=-1.2,f=-0.32) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00846 X(o=-0.0085,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -138:sc= 1.25 (180deg=0.0289) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0437 F(o=-0.58,f=-0.044) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.946) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.0928 USER MOD Single : A 83 TYR OH : rot 30:sc= 1.24 USER MOD Single : A 90 ASN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 91 TYR OH : rot -157:sc= 1.23 USER MOD Single : A 92 ASN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -115:sc= 0.209 (180deg=0.117) USER MOD Single : A 105 MET CE :methyl 180:sc= -0.625 (180deg=-0.625) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot -83:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 165 N PRO A 11 -11.020 3.167 -17.852 1.00 0.00 N ATOM 166 CA PRO A 11 -11.257 4.429 -17.181 1.00 0.00 C ATOM 167 C PRO A 11 -10.134 4.681 -16.191 1.00 0.00 C ATOM 168 O PRO A 11 -9.387 3.754 -15.889 1.00 0.00 O ATOM 169 CB PRO A 11 -12.703 4.307 -16.704 1.00 0.00 C ATOM 170 CG PRO A 11 -12.783 2.805 -16.434 1.00 0.00 C ATOM 171 CD PRO A 11 -11.845 2.085 -17.394 1.00 0.00 C ATOM 0 HA PRO A 11 -11.206 5.347 -17.767 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.896 4.900 -15.810 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.418 4.631 -17.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.504 2.591 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.805 2.451 -16.568 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.264 1.309 -16.896 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.383 1.605 -18.211 1.00 0.00 H new ATOM 179 N ALA A 12 -9.997 5.873 -15.614 1.00 0.00 N ATOM 180 CA ALA A 12 -8.900 6.181 -14.692 1.00 0.00 C ATOM 181 C ALA A 12 -9.301 6.148 -13.226 1.00 0.00 C ATOM 182 O ALA A 12 -10.393 6.664 -12.954 1.00 0.00 O ATOM 183 CB ALA A 12 -8.273 7.519 -15.080 1.00 0.00 C ATOM 0 H ALA A 12 -10.638 6.651 -15.770 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.159 5.388 -14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.457 7.750 -14.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.887 7.459 -16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.027 8.304 -15.024 1.00 0.00 H new ATOM 189 N PRO A 13 -8.591 5.577 -12.247 1.00 0.00 N ATOM 190 CA PRO A 13 -8.564 5.792 -10.823 1.00 0.00 C ATOM 191 C PRO A 13 -8.332 7.239 -10.431 1.00 0.00 C ATOM 192 O PRO A 13 -7.660 7.977 -11.167 1.00 0.00 O ATOM 193 CB PRO A 13 -7.477 4.840 -10.311 1.00 0.00 C ATOM 194 CG PRO A 13 -7.605 3.626 -11.252 1.00 0.00 C ATOM 195 CD PRO A 13 -7.888 4.347 -12.567 1.00 0.00 C ATOM 0 HA PRO A 13 -9.532 5.581 -10.368 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.486 5.291 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.642 4.562 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.694 3.029 -11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.413 2.955 -10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.959 4.562 -13.094 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.490 3.721 -13.226 1.00 0.00 H new ATOM 203 N SER A 14 -8.892 7.648 -9.290 1.00 0.00 N ATOM 204 CA SER A 14 -9.014 9.039 -8.885 1.00 0.00 C ATOM 205 C SER A 14 -8.867 9.088 -7.376 1.00 0.00 C ATOM 206 O SER A 14 -9.080 8.125 -6.646 1.00 0.00 O ATOM 207 CB SER A 14 -10.361 9.634 -9.291 1.00 0.00 C ATOM 208 OG SER A 14 -10.616 9.305 -10.637 1.00 0.00 O ATOM 0 H SER A 14 -9.282 6.998 -8.608 1.00 0.00 H new ATOM 0 HA SER A 14 -8.242 9.628 -9.381 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.153 9.246 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.349 10.716 -9.163 1.00 0.00 H new ATOM 0 HG SER A 14 -11.358 8.666 -10.683 1.00 0.00 H new ATOM 214 N ALA A 15 -8.563 10.340 -7.012 1.00 0.00 N ATOM 215 CA ALA A 15 -8.183 10.753 -5.670 1.00 0.00 C ATOM 216 C ALA A 15 -9.278 10.600 -4.627 1.00 0.00 C ATOM 217 O ALA A 15 -9.022 10.083 -3.546 1.00 0.00 O ATOM 218 CB ALA A 15 -7.490 12.117 -5.647 1.00 0.00 C ATOM 0 H ALA A 15 -8.578 11.116 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.430 10.031 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.229 12.375 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.585 12.075 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.162 12.874 -6.051 1.00 0.00 H new ATOM 224 N GLU A 16 -10.545 10.972 -4.874 1.00 0.00 N ATOM 225 CA GLU A 16 -11.742 10.696 -4.118 1.00 0.00 C ATOM 226 C GLU A 16 -12.089 9.218 -4.086 1.00 0.00 C ATOM 227 O GLU A 16 -13.002 8.806 -3.359 1.00 0.00 O ATOM 228 CB GLU A 16 -12.940 11.265 -4.870 1.00 0.00 C ATOM 229 CG GLU A 16 -13.018 12.790 -4.799 1.00 0.00 C ATOM 230 CD GLU A 16 -13.155 13.390 -3.408 1.00 0.00 C ATOM 231 OE1 GLU A 16 -12.871 14.583 -3.234 1.00 0.00 O ATOM 232 OE2 GLU A 16 -13.416 12.683 -2.414 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.760 11.532 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.558 11.104 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.886 10.957 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.856 10.840 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.121 13.201 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.867 13.118 -5.399 1.00 0.00 H new ATOM 239 N HIS A 17 -11.564 8.449 -5.045 1.00 0.00 N ATOM 240 CA HIS A 17 -11.925 7.116 -5.486 1.00 0.00 C ATOM 241 C HIS A 17 -10.857 6.033 -5.416 1.00 0.00 C ATOM 242 O HIS A 17 -11.004 4.867 -5.773 1.00 0.00 O ATOM 243 CB HIS A 17 -12.461 7.225 -6.921 1.00 0.00 C ATOM 244 CG HIS A 17 -13.707 8.065 -6.999 1.00 0.00 C ATOM 245 ND1 HIS A 17 -13.820 9.010 -8.003 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 -14.676 8.332 -6.059 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 -14.884 9.834 -7.659 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 -15.356 9.407 -6.481 1.00 0.00 N flip ATOM 0 H HIS A 17 -10.778 8.800 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.667 6.772 -4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.693 7.657 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.673 6.227 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.855 7.778 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.261 10.666 -8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.128 9.841 -5.974 1.00 0.00 H new ATOM 256 N SER A 18 -9.813 6.332 -4.643 1.00 0.00 N ATOM 257 CA SER A 18 -8.885 5.296 -4.250 1.00 0.00 C ATOM 258 C SER A 18 -8.408 5.516 -2.822 1.00 0.00 C ATOM 259 O SER A 18 -8.080 6.621 -2.381 1.00 0.00 O ATOM 260 CB SER A 18 -7.790 5.126 -5.299 1.00 0.00 C ATOM 261 OG SER A 18 -6.952 4.011 -5.108 1.00 0.00 O ATOM 0 H SER A 18 -9.599 7.264 -4.288 1.00 0.00 H new ATOM 0 HA SER A 18 -9.387 4.329 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.257 5.047 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.175 6.026 -5.310 1.00 0.00 H new ATOM 0 HG SER A 18 -6.389 3.885 -5.901 1.00 0.00 H new ATOM 267 N TYR A 19 -8.411 4.394 -2.090 1.00 0.00 N ATOM 268 CA TYR A 19 -8.273 4.275 -0.656 1.00 0.00 C ATOM 269 C TYR A 19 -7.707 2.892 -0.366 1.00 0.00 C ATOM 270 O TYR A 19 -7.736 2.057 -1.259 1.00 0.00 O ATOM 271 CB TYR A 19 -9.441 4.746 0.225 1.00 0.00 C ATOM 272 CG TYR A 19 -9.603 6.243 0.384 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.718 6.839 -0.223 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.636 6.973 1.085 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.799 8.237 -0.238 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.859 8.349 1.258 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.891 8.985 0.520 1.00 0.00 C ATOM 278 OH TYR A 19 -9.972 10.346 0.581 1.00 0.00 O ATOM 0 H TYR A 19 -8.519 3.481 -2.533 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.566 5.035 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.365 4.344 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.320 4.308 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.495 6.235 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.751 6.496 1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.555 8.733 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.251 8.918 1.946 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.309 10.685 1.218 1.00 0.00 H new ATOM 288 N ALA A 20 -6.903 2.788 0.694 1.00 0.00 N ATOM 289 CA ALA A 20 -6.142 1.603 1.044 1.00 0.00 C ATOM 290 C ALA A 20 -6.108 1.171 2.499 1.00 0.00 C ATOM 291 O ALA A 20 -6.280 1.993 3.398 1.00 0.00 O ATOM 292 CB ALA A 20 -4.711 1.617 0.486 1.00 0.00 C ATOM 0 H ALA A 20 -6.764 3.557 1.350 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.745 0.843 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.196 0.704 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.745 1.677 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.175 2.481 0.880 1.00 0.00 H new ATOM 298 N GLU A 21 -5.975 -0.126 2.776 1.00 0.00 N ATOM 299 CA GLU A 21 -6.229 -0.690 4.083 1.00 0.00 C ATOM 300 C GLU A 21 -5.569 -2.009 4.468 1.00 0.00 C ATOM 301 O GLU A 21 -5.256 -2.771 3.567 1.00 0.00 O ATOM 302 CB GLU A 21 -7.717 -0.778 4.353 1.00 0.00 C ATOM 303 CG GLU A 21 -8.474 -1.730 3.426 1.00 0.00 C ATOM 304 CD GLU A 21 -9.884 -1.790 3.993 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.239 -2.658 4.817 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.649 -0.792 3.900 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.684 -0.816 2.083 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.723 0.032 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.868 -1.098 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.150 0.218 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.476 -1.363 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.012 -2.717 3.411 1.00 0.00 H new ATOM 313 N GLY A 22 -5.200 -2.200 5.743 1.00 0.00 N ATOM 314 CA GLY A 22 -4.665 -3.411 6.336 1.00 0.00 C ATOM 315 C GLY A 22 -3.405 -3.234 7.164 1.00 0.00 C ATOM 316 O GLY A 22 -2.920 -2.125 7.350 1.00 0.00 O ATOM 0 H GLY A 22 -5.278 -1.449 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.434 -3.855 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.457 -4.124 5.538 1.00 0.00 H new ATOM 320 N GLU A 23 -2.820 -4.378 7.528 1.00 0.00 N ATOM 321 CA GLU A 23 -1.730 -4.509 8.470 1.00 0.00 C ATOM 322 C GLU A 23 -0.534 -3.692 8.008 1.00 0.00 C ATOM 323 O GLU A 23 0.148 -3.113 8.860 1.00 0.00 O ATOM 324 CB GLU A 23 -1.473 -5.988 8.724 1.00 0.00 C ATOM 325 CG GLU A 23 -0.484 -6.435 9.801 1.00 0.00 C ATOM 326 CD GLU A 23 -0.585 -7.937 9.974 1.00 0.00 C ATOM 327 OE1 GLU A 23 -0.541 -8.398 11.134 1.00 0.00 O ATOM 328 OE2 GLU A 23 -0.589 -8.745 9.017 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.116 -5.277 7.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.979 -4.085 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.434 -6.444 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.139 -6.422 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.531 -6.156 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.702 -5.932 10.743 1.00 0.00 H new ATOM 335 N GLY A 24 -0.160 -3.587 6.740 1.00 0.00 N ATOM 336 CA GLY A 24 0.956 -2.841 6.187 1.00 0.00 C ATOM 337 C GLY A 24 0.784 -1.327 6.292 1.00 0.00 C ATOM 338 O GLY A 24 1.722 -0.615 5.968 1.00 0.00 O ATOM 0 H GLY A 24 -0.681 -4.068 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.870 -3.132 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.082 -3.113 5.139 1.00 0.00 H new ATOM 342 N LEU A 25 -0.314 -0.772 6.811 1.00 0.00 N ATOM 343 CA LEU A 25 -0.542 0.613 7.158 1.00 0.00 C ATOM 344 C LEU A 25 -0.855 0.661 8.652 1.00 0.00 C ATOM 345 O LEU A 25 -1.253 1.740 9.081 1.00 0.00 O ATOM 346 CB LEU A 25 -1.685 1.170 6.324 1.00 0.00 C ATOM 347 CG LEU A 25 -1.277 1.417 4.877 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.523 1.946 4.177 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.167 2.420 4.656 1.00 0.00 C ATOM 0 H LEU A 25 -1.135 -1.342 7.013 1.00 0.00 H new ATOM 0 HA LEU A 25 0.334 1.227 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.523 0.474 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.033 2.104 6.766 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.886 0.474 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.295 2.144 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.319 1.204 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.847 2.869 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.034 2.510 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.469 3.390 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.735 2.084 5.168 1.00 0.00 H new ATOM 361 N VAL A 26 -0.473 -0.329 9.460 1.00 0.00 N ATOM 362 CA VAL A 26 -0.448 -0.282 10.911 1.00 0.00 C ATOM 363 C VAL A 26 0.926 -0.616 11.487 1.00 0.00 C ATOM 364 O VAL A 26 1.287 0.049 12.454 1.00 0.00 O ATOM 365 CB VAL A 26 -1.563 -1.096 11.553 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.848 -0.817 13.023 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.903 -0.852 10.875 1.00 0.00 C ATOM 0 H VAL A 26 -0.158 -1.228 9.095 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.647 0.756 11.176 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.176 -2.109 11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.661 -1.458 13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.954 -1.021 13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.133 0.228 13.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.672 -1.451 11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.163 0.204 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.836 -1.134 9.824 1.00 0.00 H new ATOM 377 N LYS A 27 1.605 -1.707 11.130 1.00 0.00 N ATOM 378 CA LYS A 27 2.755 -2.275 11.790 1.00 0.00 C ATOM 379 C LYS A 27 3.577 -3.100 10.812 1.00 0.00 C ATOM 380 O LYS A 27 3.031 -3.953 10.117 1.00 0.00 O ATOM 381 CB LYS A 27 2.338 -3.066 13.029 1.00 0.00 C ATOM 382 CG LYS A 27 1.370 -4.202 12.719 1.00 0.00 C ATOM 383 CD LYS A 27 0.895 -4.838 14.030 1.00 0.00 C ATOM 384 CE LYS A 27 -0.329 -5.605 13.554 1.00 0.00 C ATOM 385 NZ LYS A 27 -0.834 -6.399 14.687 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.336 -2.249 10.309 1.00 0.00 H new ATOM 0 HA LYS A 27 3.397 -1.467 12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.228 -3.476 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.875 -2.388 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.517 -3.824 12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.858 -4.950 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.648 -5.494 14.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.646 -4.091 14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.096 -4.917 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.071 -6.255 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.674 -6.935 14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.096 -7.060 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.089 -5.764 15.470 1.00 0.00 H new ATOM 399 N VAL A 28 4.903 -2.995 10.806 1.00 0.00 N ATOM 400 CA VAL A 28 5.791 -3.558 9.815 1.00 0.00 C ATOM 401 C VAL A 28 7.072 -4.003 10.494 1.00 0.00 C ATOM 402 O VAL A 28 7.522 -3.221 11.335 1.00 0.00 O ATOM 403 CB VAL A 28 6.006 -2.500 8.730 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.868 -3.082 7.621 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.745 -1.821 8.207 1.00 0.00 C ATOM 0 H VAL A 28 5.405 -2.487 11.534 1.00 0.00 H new ATOM 0 HA VAL A 28 5.374 -4.444 9.337 1.00 0.00 H new ATOM 0 HB VAL A 28 6.532 -1.674 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.022 -2.330 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.832 -3.385 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.369 -3.949 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.015 -1.091 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.081 -2.570 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.236 -1.316 9.028 1.00 0.00 H new ATOM 415 N PHE A 29 7.677 -5.128 10.128 1.00 0.00 N ATOM 416 CA PHE A 29 8.818 -5.772 10.767 1.00 0.00 C ATOM 417 C PHE A 29 9.940 -6.348 9.929 1.00 0.00 C ATOM 418 O PHE A 29 10.010 -6.100 8.730 1.00 0.00 O ATOM 419 CB PHE A 29 8.249 -6.936 11.564 1.00 0.00 C ATOM 420 CG PHE A 29 7.006 -6.591 12.355 1.00 0.00 C ATOM 421 CD1 PHE A 29 7.170 -5.865 13.534 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.721 -7.023 11.977 1.00 0.00 C ATOM 423 CE1 PHE A 29 6.067 -5.618 14.358 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.618 -6.728 12.793 1.00 0.00 C ATOM 425 CZ PHE A 29 4.773 -6.055 14.006 1.00 0.00 C ATOM 0 H PHE A 29 7.357 -5.653 9.314 1.00 0.00 H new ATOM 0 HA PHE A 29 9.299 -4.957 11.308 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.017 -7.752 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.013 -7.302 12.249 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.146 -5.494 13.810 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.584 -7.580 11.062 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.209 -5.081 15.284 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.630 -7.028 12.476 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.929 -5.875 14.655 1.00 0.00 H new ATOM 435 N ASP A 30 10.936 -7.093 10.412 1.00 0.00 N ATOM 436 CA ASP A 30 12.212 -7.392 9.798 1.00 0.00 C ATOM 437 C ASP A 30 12.112 -8.712 9.048 1.00 0.00 C ATOM 438 O ASP A 30 12.286 -8.771 7.829 1.00 0.00 O ATOM 439 CB ASP A 30 13.322 -7.297 10.827 1.00 0.00 C ATOM 440 CG ASP A 30 14.680 -7.335 10.137 1.00 0.00 C ATOM 441 OD1 ASP A 30 14.835 -7.236 8.900 1.00 0.00 O ATOM 442 OD2 ASP A 30 15.645 -7.386 10.920 1.00 0.00 O1- ATOM 0 H ASP A 30 10.853 -7.538 11.326 1.00 0.00 H new ATOM 0 HA ASP A 30 12.479 -6.652 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.221 -6.374 11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.243 -8.121 11.536 1.00 0.00 H new ATOM 447 N ASN A 31 11.738 -9.746 9.818 1.00 0.00 N ATOM 448 CA ASN A 31 11.401 -11.082 9.384 1.00 0.00 C ATOM 449 C ASN A 31 9.931 -11.450 9.209 1.00 0.00 C ATOM 450 O ASN A 31 9.598 -12.563 8.818 1.00 0.00 O ATOM 451 CB ASN A 31 12.054 -12.004 10.409 1.00 0.00 C ATOM 452 CG ASN A 31 13.570 -11.826 10.495 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.242 -12.208 9.541 1.00 0.00 O ATOM 454 ND2 ASN A 31 14.048 -11.182 11.565 1.00 0.00 N ATOM 0 H ASN A 31 11.662 -9.648 10.830 1.00 0.00 H new ATOM 0 HA ASN A 31 11.762 -11.177 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.616 -11.816 11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.830 -13.039 10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.044 -10.973 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.416 -10.900 12.315 1.00 0.00 H new ATOM 461 N ALA A 32 9.033 -10.510 9.530 1.00 0.00 N ATOM 462 CA ALA A 32 7.672 -10.529 9.046 1.00 0.00 C ATOM 463 C ALA A 32 7.421 -9.334 8.125 1.00 0.00 C ATOM 464 O ALA A 32 6.920 -8.289 8.522 1.00 0.00 O ATOM 465 CB ALA A 32 6.766 -10.556 10.281 1.00 0.00 C ATOM 0 H ALA A 32 9.244 -9.717 10.136 1.00 0.00 H new ATOM 0 HA ALA A 32 7.461 -11.408 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.722 -10.571 9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.980 -11.448 10.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.950 -9.668 10.886 1.00 0.00 H new ATOM 471 N PRO A 33 7.675 -9.465 6.817 1.00 0.00 N ATOM 472 CA PRO A 33 7.032 -8.632 5.826 1.00 0.00 C ATOM 473 C PRO A 33 5.542 -8.394 5.988 1.00 0.00 C ATOM 474 O PRO A 33 4.833 -9.361 6.254 1.00 0.00 O ATOM 475 CB PRO A 33 7.415 -9.218 4.470 1.00 0.00 C ATOM 476 CG PRO A 33 8.626 -10.101 4.771 1.00 0.00 C ATOM 477 CD PRO A 33 8.531 -10.491 6.250 1.00 0.00 C ATOM 0 HA PRO A 33 7.395 -7.612 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.597 -9.797 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.662 -8.435 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.626 -10.987 4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.554 -9.566 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.103 -11.485 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.512 -10.503 6.726 1.00 0.00 H new ATOM 485 N ALA A 34 5.098 -7.143 5.816 1.00 0.00 N ATOM 486 CA ALA A 34 3.752 -6.654 6.029 1.00 0.00 C ATOM 487 C ALA A 34 3.018 -6.325 4.740 1.00 0.00 C ATOM 488 O ALA A 34 3.599 -5.969 3.717 1.00 0.00 O ATOM 489 CB ALA A 34 3.785 -5.443 6.966 1.00 0.00 C ATOM 0 H ALA A 34 5.724 -6.401 5.502 1.00 0.00 H new ATOM 0 HA ALA A 34 3.187 -7.463 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.770 -5.078 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.219 -5.735 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.389 -4.654 6.519 1.00 0.00 H new ATOM 495 N GLU A 35 1.683 -6.379 4.728 1.00 0.00 N ATOM 496 CA GLU A 35 0.791 -6.284 3.599 1.00 0.00 C ATOM 497 C GLU A 35 -0.428 -5.425 3.888 1.00 0.00 C ATOM 498 O GLU A 35 -0.874 -5.389 5.026 1.00 0.00 O ATOM 499 CB GLU A 35 0.424 -7.677 3.108 1.00 0.00 C ATOM 500 CG GLU A 35 1.556 -8.657 2.809 1.00 0.00 C ATOM 501 CD GLU A 35 0.920 -9.998 2.506 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.023 -10.139 1.642 1.00 0.00 O ATOM 503 OE2 GLU A 35 1.391 -10.979 3.120 1.00 0.00 O1- ATOM 0 H GLU A 35 1.164 -6.502 5.597 1.00 0.00 H new ATOM 0 HA GLU A 35 1.317 -5.770 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.223 -8.134 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.168 -7.565 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.149 -8.313 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.232 -8.735 3.661 1.00 0.00 H new ATOM 510 N PHE A 36 -0.970 -4.722 2.890 1.00 0.00 N ATOM 511 CA PHE A 36 -2.260 -4.043 2.810 1.00 0.00 C ATOM 512 C PHE A 36 -2.755 -3.886 1.388 1.00 0.00 C ATOM 513 O PHE A 36 -2.019 -4.168 0.441 1.00 0.00 O ATOM 514 CB PHE A 36 -2.064 -2.725 3.570 1.00 0.00 C ATOM 515 CG PHE A 36 -1.384 -1.688 2.710 1.00 0.00 C ATOM 516 CD1 PHE A 36 -2.155 -0.679 2.102 1.00 0.00 C ATOM 517 CD2 PHE A 36 -0.010 -1.692 2.536 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.469 0.368 1.470 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.671 -0.749 1.767 1.00 0.00 C ATOM 520 CZ PHE A 36 -0.080 0.332 1.276 1.00 0.00 C ATOM 0 H PHE A 36 -0.452 -4.603 2.019 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.061 -4.626 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.031 -2.347 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.468 -2.905 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.234 -0.710 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.565 -2.467 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.025 1.226 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.726 -0.845 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.412 1.136 0.749 1.00 0.00 H new ATOM 530 N THR A 37 -3.982 -3.362 1.223 1.00 0.00 N ATOM 531 CA THR A 37 -4.769 -3.406 0.003 1.00 0.00 C ATOM 532 C THR A 37 -5.232 -2.074 -0.577 1.00 0.00 C ATOM 533 O THR A 37 -5.824 -1.300 0.163 1.00 0.00 O ATOM 534 CB THR A 37 -5.961 -4.333 0.200 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.504 -5.621 0.536 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.599 -4.478 -1.180 1.00 0.00 C ATOM 0 H THR A 37 -4.464 -2.876 1.979 1.00 0.00 H new ATOM 0 HA THR A 37 -4.074 -3.782 -0.748 1.00 0.00 H new ATOM 0 HB THR A 37 -6.629 -3.944 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.271 -6.217 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.466 -5.135 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.913 -3.498 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.874 -4.905 -1.873 1.00 0.00 H new ATOM 544 N ILE A 38 -4.912 -1.844 -1.853 1.00 0.00 N ATOM 545 CA ILE A 38 -5.545 -0.738 -2.540 1.00 0.00 C ATOM 546 C ILE A 38 -6.965 -0.983 -3.018 1.00 0.00 C ATOM 547 O ILE A 38 -7.077 -1.932 -3.769 1.00 0.00 O ATOM 548 CB ILE A 38 -4.691 -0.073 -3.634 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.181 -0.054 -3.410 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.252 1.311 -3.938 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.258 0.480 -4.491 1.00 0.00 C ATOM 0 H ILE A 38 -4.247 -2.387 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.629 -0.013 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.779 -0.721 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.995 0.529 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.872 -1.077 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.650 1.786 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.281 1.218 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.227 1.920 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.224 0.413 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.381 -0.111 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.505 1.521 -4.699 1.00 0.00 H new ATOM 563 N PHE A 39 -7.998 -0.205 -2.655 1.00 0.00 N ATOM 564 CA PHE A 39 -9.377 -0.271 -3.040 1.00 0.00 C ATOM 565 C PHE A 39 -9.860 0.870 -3.920 1.00 0.00 C ATOM 566 O PHE A 39 -10.158 2.003 -3.538 1.00 0.00 O ATOM 567 CB PHE A 39 -10.311 -0.631 -1.873 1.00 0.00 C ATOM 568 CG PHE A 39 -10.408 0.425 -0.801 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.539 1.229 -0.701 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.469 0.433 0.255 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.789 2.071 0.378 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.710 1.274 1.344 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.820 2.120 1.396 1.00 0.00 C ATOM 0 H PHE A 39 -7.845 0.569 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.433 -1.122 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.309 -0.822 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.964 -1.560 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.261 1.198 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.590 -0.193 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.691 2.663 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.016 1.270 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.934 2.812 2.218 1.00 0.00 H new ATOM 583 N ALA A 40 -9.770 0.642 -5.231 1.00 0.00 N ATOM 584 CA ALA A 40 -9.873 1.549 -6.351 1.00 0.00 C ATOM 585 C ALA A 40 -11.248 1.580 -7.012 1.00 0.00 C ATOM 586 O ALA A 40 -11.867 0.553 -7.336 1.00 0.00 O ATOM 587 CB ALA A 40 -8.742 1.192 -7.294 1.00 0.00 C ATOM 0 H ALA A 40 -9.602 -0.308 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.771 2.579 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.772 1.849 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.788 1.312 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.851 0.157 -7.618 1.00 0.00 H new ATOM 593 N VAL A 41 -11.628 2.821 -7.321 1.00 0.00 N ATOM 594 CA VAL A 41 -12.782 3.187 -8.136 1.00 0.00 C ATOM 595 C VAL A 41 -12.321 4.203 -9.173 1.00 0.00 C ATOM 596 O VAL A 41 -11.534 5.111 -8.885 1.00 0.00 O ATOM 597 CB VAL A 41 -13.931 3.676 -7.268 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.002 4.319 -8.154 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.459 2.528 -6.417 1.00 0.00 C ATOM 0 H VAL A 41 -11.112 3.637 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.179 2.320 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.590 4.445 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -15.826 4.670 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -14.570 5.162 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.373 3.584 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.282 2.883 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.813 1.727 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.660 2.151 -5.778 1.00 0.00 H new ATOM 609 N ASP A 42 -12.731 4.066 -10.437 1.00 0.00 N ATOM 610 CA ASP A 42 -12.570 5.129 -11.404 1.00 0.00 C ATOM 611 C ASP A 42 -13.285 6.441 -11.115 1.00 0.00 C ATOM 612 O ASP A 42 -12.721 7.535 -11.033 1.00 0.00 O ATOM 613 CB ASP A 42 -12.993 4.682 -12.804 1.00 0.00 C ATOM 614 CG ASP A 42 -14.261 3.853 -12.987 1.00 0.00 C ATOM 615 OD1 ASP A 42 -15.296 3.995 -12.300 1.00 0.00 O ATOM 616 OD2 ASP A 42 -14.315 2.948 -13.847 1.00 0.00 O1- ATOM 0 H ASP A 42 -13.176 3.225 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.502 5.335 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.101 5.580 -13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.167 4.109 -13.225 1.00 0.00 H new ATOM 621 N THR A 43 -14.600 6.313 -11.049 1.00 0.00 N ATOM 622 CA THR A 43 -15.608 7.243 -10.600 1.00 0.00 C ATOM 623 C THR A 43 -16.930 6.521 -10.340 1.00 0.00 C ATOM 624 O THR A 43 -17.652 7.097 -9.525 1.00 0.00 O ATOM 625 CB THR A 43 -16.031 8.276 -11.652 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.342 7.748 -12.919 1.00 0.00 O ATOM 627 CG2 THR A 43 -14.977 9.326 -11.975 1.00 0.00 C ATOM 0 H THR A 43 -15.034 5.440 -11.349 1.00 0.00 H new ATOM 0 HA THR A 43 -15.143 7.709 -9.731 1.00 0.00 H new ATOM 0 HB THR A 43 -16.905 8.696 -11.153 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.601 8.476 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.366 10.012 -12.728 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.728 9.882 -11.071 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.081 8.837 -12.358 1.00 0.00 H new ATOM 635 N LYS A 44 -17.204 5.397 -11.000 1.00 0.00 N ATOM 636 CA LYS A 44 -18.546 4.838 -11.077 1.00 0.00 C ATOM 637 C LYS A 44 -18.998 4.134 -9.814 1.00 0.00 C ATOM 638 O LYS A 44 -19.858 3.259 -9.805 1.00 0.00 O ATOM 639 CB LYS A 44 -18.751 3.857 -12.227 1.00 0.00 C ATOM 640 CG LYS A 44 -18.443 4.561 -13.554 1.00 0.00 C ATOM 641 CD LYS A 44 -18.794 3.599 -14.676 1.00 0.00 C ATOM 642 CE LYS A 44 -17.965 2.310 -14.665 1.00 0.00 C ATOM 643 NZ LYS A 44 -16.597 2.511 -15.149 1.00 0.00 N1+ ATOM 0 H LYS A 44 -16.499 4.851 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.149 5.731 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.101 2.991 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.777 3.488 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.021 5.481 -13.643 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.391 4.840 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.851 3.341 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.653 4.103 -15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.932 1.913 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.458 1.561 -15.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.328 1.720 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.545 3.402 -15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.945 2.554 -14.340 1.00 0.00 H new ATOM 657 N GLY A 45 -18.340 4.426 -8.675 1.00 0.00 N ATOM 658 CA GLY A 45 -18.624 3.919 -7.348 1.00 0.00 C ATOM 659 C GLY A 45 -18.495 2.418 -7.111 1.00 0.00 C ATOM 660 O GLY A 45 -17.922 2.022 -6.101 1.00 0.00 O ATOM 0 H GLY A 45 -17.546 5.066 -8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.960 4.426 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.642 4.211 -7.090 1.00 0.00 H new ATOM 664 N VAL A 46 -19.014 1.524 -7.955 1.00 0.00 N ATOM 665 CA VAL A 46 -18.559 0.151 -8.019 1.00 0.00 C ATOM 666 C VAL A 46 -17.044 0.047 -8.189 1.00 0.00 C ATOM 667 O VAL A 46 -16.553 0.795 -9.031 1.00 0.00 O ATOM 668 CB VAL A 46 -19.344 -0.573 -9.123 1.00 0.00 C ATOM 669 CG1 VAL A 46 -19.047 -2.048 -9.370 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.861 -0.466 -9.067 1.00 0.00 C ATOM 0 H VAL A 46 -19.764 1.742 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.760 -0.344 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.941 0.017 -9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.680 -2.416 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.999 -2.167 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.250 -2.617 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.296 -1.019 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.221 -0.884 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.155 0.582 -9.135 1.00 0.00 H new ATOM 680 N ALA A 47 -16.394 -0.906 -7.516 1.00 0.00 N ATOM 681 CA ALA A 47 -15.035 -1.309 -7.816 1.00 0.00 C ATOM 682 C ALA A 47 -14.591 -1.236 -9.261 1.00 0.00 C ATOM 683 O ALA A 47 -15.287 -1.575 -10.223 1.00 0.00 O ATOM 684 CB ALA A 47 -14.814 -2.728 -7.301 1.00 0.00 C ATOM 0 H ALA A 47 -16.810 -1.420 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.419 -0.565 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.793 -3.041 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.976 -2.753 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.515 -3.405 -7.789 1.00 0.00 H new ATOM 690 N ARG A 48 -13.282 -1.058 -9.465 1.00 0.00 N ATOM 691 CA ARG A 48 -12.679 -1.103 -10.785 1.00 0.00 C ATOM 692 C ARG A 48 -12.879 -2.429 -11.494 1.00 0.00 C ATOM 693 O ARG A 48 -12.787 -3.462 -10.844 1.00 0.00 O ATOM 694 CB ARG A 48 -11.184 -0.838 -10.708 1.00 0.00 C ATOM 695 CG ARG A 48 -10.762 0.617 -10.513 1.00 0.00 C ATOM 696 CD ARG A 48 -10.865 1.561 -11.710 1.00 0.00 C ATOM 697 NE ARG A 48 -9.925 1.200 -12.773 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.185 0.513 -13.896 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.388 -0.002 -14.183 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.198 0.242 -14.756 1.00 0.00 N ATOM 0 H ARG A 48 -12.616 -0.879 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.186 -0.326 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.775 -1.426 -9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.724 -1.207 -11.624 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.365 1.034 -9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.727 0.621 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.882 1.540 -12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.670 2.583 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.961 1.506 -12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.163 0.120 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.528 -0.516 -15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.248 0.557 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.395 -0.280 -15.610 1.00 0.00 H new ATOM 714 N THR A 49 -13.381 -2.438 -12.741 1.00 0.00 N ATOM 715 CA THR A 49 -13.844 -3.581 -13.505 1.00 0.00 C ATOM 716 C THR A 49 -12.734 -4.242 -14.314 1.00 0.00 C ATOM 717 O THR A 49 -12.971 -5.210 -15.035 1.00 0.00 O ATOM 718 CB THR A 49 -14.921 -3.260 -14.526 1.00 0.00 C ATOM 719 OG1 THR A 49 -14.563 -2.265 -15.467 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.261 -2.822 -13.943 1.00 0.00 C ATOM 0 H THR A 49 -13.476 -1.572 -13.271 1.00 0.00 H new ATOM 0 HA THR A 49 -14.234 -4.234 -12.724 1.00 0.00 H new ATOM 0 HB THR A 49 -15.025 -4.230 -15.012 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.307 -2.119 -16.088 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.961 -2.617 -14.753 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.660 -3.616 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.121 -1.920 -13.347 1.00 0.00 H new ATOM 728 N ASP A 50 -11.468 -3.831 -14.294 1.00 0.00 N ATOM 729 CA ASP A 50 -10.325 -4.421 -14.960 1.00 0.00 C ATOM 730 C ASP A 50 -9.001 -3.928 -14.409 1.00 0.00 C ATOM 731 O ASP A 50 -9.047 -2.868 -13.778 1.00 0.00 O ATOM 732 CB ASP A 50 -10.346 -4.136 -16.456 1.00 0.00 C ATOM 733 CG ASP A 50 -10.756 -2.774 -16.999 1.00 0.00 C ATOM 734 OD1 ASP A 50 -10.705 -1.692 -16.362 1.00 0.00 O ATOM 735 OD2 ASP A 50 -11.004 -2.756 -18.214 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.200 -3.003 -13.762 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.407 -5.492 -14.775 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.343 -4.338 -16.831 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.010 -4.871 -16.910 1.00 0.00 H new ATOM 740 N GLY A 51 -7.918 -4.688 -14.571 1.00 0.00 N ATOM 741 CA GLY A 51 -6.735 -4.641 -13.706 1.00 0.00 C ATOM 742 C GLY A 51 -5.663 -3.811 -14.382 1.00 0.00 C ATOM 743 O GLY A 51 -5.851 -3.199 -15.432 1.00 0.00 O ATOM 0 H GLY A 51 -7.835 -5.370 -15.325 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.992 -4.208 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.367 -5.649 -13.516 1.00 0.00 H new ATOM 747 N GLY A 52 -4.506 -3.817 -13.731 1.00 0.00 N ATOM 748 CA GLY A 52 -3.232 -3.280 -14.179 1.00 0.00 C ATOM 749 C GLY A 52 -3.235 -1.781 -14.395 1.00 0.00 C ATOM 750 O GLY A 52 -2.648 -1.265 -15.352 1.00 0.00 O ATOM 0 H GLY A 52 -4.431 -4.231 -12.802 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.466 -3.529 -13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.951 -3.770 -15.111 1.00 0.00 H new ATOM 754 N ASP A 53 -4.003 -0.991 -13.636 1.00 0.00 N ATOM 755 CA ASP A 53 -3.734 0.436 -13.507 1.00 0.00 C ATOM 756 C ASP A 53 -2.350 0.567 -12.907 1.00 0.00 C ATOM 757 O ASP A 53 -1.952 -0.202 -12.028 1.00 0.00 O ATOM 758 CB ASP A 53 -4.854 1.138 -12.755 1.00 0.00 C ATOM 759 CG ASP A 53 -6.209 0.969 -13.456 1.00 0.00 C ATOM 760 OD1 ASP A 53 -7.200 0.880 -12.714 1.00 0.00 O ATOM 761 OD2 ASP A 53 -6.352 0.834 -14.688 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.811 -1.319 -13.106 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.726 0.952 -14.467 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.917 0.739 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.622 2.199 -12.666 1.00 0.00 H new ATOM 766 N PRO A 54 -1.524 1.556 -13.243 1.00 0.00 N ATOM 767 CA PRO A 54 -0.261 1.859 -12.560 1.00 0.00 C ATOM 768 C PRO A 54 -0.368 2.720 -11.325 1.00 0.00 C ATOM 769 O PRO A 54 -1.121 3.699 -11.250 1.00 0.00 O ATOM 770 CB PRO A 54 0.591 2.581 -13.608 1.00 0.00 C ATOM 771 CG PRO A 54 -0.459 3.367 -14.390 1.00 0.00 C ATOM 772 CD PRO A 54 -1.741 2.548 -14.267 1.00 0.00 C ATOM 0 HA PRO A 54 0.159 0.924 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.332 3.236 -13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.134 1.882 -14.244 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.590 4.368 -13.979 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.166 3.487 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.583 3.190 -14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.985 2.072 -15.217 1.00 0.00 H new ATOM 780 N PHE A 55 0.356 2.329 -10.275 1.00 0.00 N ATOM 781 CA PHE A 55 0.368 2.841 -8.916 1.00 0.00 C ATOM 782 C PHE A 55 1.793 3.009 -8.403 1.00 0.00 C ATOM 783 O PHE A 55 2.727 2.484 -9.011 1.00 0.00 O ATOM 784 CB PHE A 55 -0.385 1.938 -7.946 1.00 0.00 C ATOM 785 CG PHE A 55 -1.891 2.028 -7.835 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.389 3.080 -7.051 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.741 1.122 -8.493 1.00 0.00 C ATOM 788 CE1 PHE A 55 -3.787 3.253 -6.959 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.105 1.362 -8.393 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.651 2.373 -7.587 1.00 0.00 C ATOM 0 H PHE A 55 1.019 1.561 -10.375 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.133 3.808 -8.959 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.141 0.908 -8.208 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.024 2.120 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.716 3.744 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.352 0.281 -9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.187 4.081 -6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.779 0.740 -8.964 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.720 2.462 -7.460 1.00 0.00 H new ATOM 800 N GLU A 56 2.038 3.752 -7.322 1.00 0.00 N ATOM 801 CA GLU A 56 3.243 3.785 -6.519 1.00 0.00 C ATOM 802 C GLU A 56 2.979 4.020 -5.040 1.00 0.00 C ATOM 803 O GLU A 56 2.096 4.806 -4.693 1.00 0.00 O ATOM 804 CB GLU A 56 4.347 4.651 -7.118 1.00 0.00 C ATOM 805 CG GLU A 56 5.744 4.271 -6.623 1.00 0.00 C ATOM 806 CD GLU A 56 6.756 5.080 -7.414 1.00 0.00 C ATOM 807 OE1 GLU A 56 7.205 4.510 -8.428 1.00 0.00 O ATOM 808 OE2 GLU A 56 7.066 6.229 -7.071 1.00 0.00 O1- ATOM 0 H GLU A 56 1.334 4.397 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 56 3.650 2.775 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.318 4.566 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.154 5.696 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.840 4.477 -5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.919 3.204 -6.758 1.00 0.00 H new ATOM 815 N VAL A 57 3.727 3.354 -4.170 1.00 0.00 N ATOM 816 CA VAL A 57 3.624 3.289 -2.727 1.00 0.00 C ATOM 817 C VAL A 57 5.025 3.581 -2.210 1.00 0.00 C ATOM 818 O VAL A 57 5.819 2.677 -1.964 1.00 0.00 O ATOM 819 CB VAL A 57 2.977 1.992 -2.234 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.586 2.229 -0.775 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.846 1.434 -3.092 1.00 0.00 C ATOM 0 H VAL A 57 4.506 2.785 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 57 2.934 4.029 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 57 3.705 1.186 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.118 1.330 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.477 2.465 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.884 3.061 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.468 0.516 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.041 2.166 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.220 1.221 -4.093 1.00 0.00 H new ATOM 831 N ALA A 58 5.461 4.791 -2.554 1.00 0.00 N ATOM 832 CA ALA A 58 6.796 5.258 -2.253 1.00 0.00 C ATOM 833 C ALA A 58 6.949 5.832 -0.850 1.00 0.00 C ATOM 834 O ALA A 58 6.043 6.521 -0.383 1.00 0.00 O ATOM 835 CB ALA A 58 7.270 6.232 -3.323 1.00 0.00 C ATOM 0 H ALA A 58 4.888 5.473 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 58 7.443 4.381 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.276 6.575 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.278 5.732 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.595 7.087 -3.362 1.00 0.00 H new ATOM 841 N ILE A 59 7.966 5.455 -0.071 1.00 0.00 N ATOM 842 CA ILE A 59 7.941 5.578 1.368 1.00 0.00 C ATOM 843 C ILE A 59 9.304 6.065 1.834 1.00 0.00 C ATOM 844 O ILE A 59 10.367 5.805 1.266 1.00 0.00 O ATOM 845 CB ILE A 59 7.635 4.214 1.982 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.339 3.592 1.451 1.00 0.00 C ATOM 847 CG2 ILE A 59 7.561 4.304 3.496 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.179 2.121 1.812 1.00 0.00 C ATOM 0 H ILE A 59 8.831 5.054 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 59 7.173 6.287 1.678 1.00 0.00 H new ATOM 0 HB ILE A 59 8.459 3.565 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.489 4.149 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.313 3.697 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.342 3.319 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.515 4.657 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.772 5.000 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.240 1.746 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.009 1.551 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.173 2.011 2.896 1.00 0.00 H new ATOM 860 N ASN A 60 9.374 6.881 2.889 1.00 0.00 N ATOM 861 CA ASN A 60 10.632 7.164 3.552 1.00 0.00 C ATOM 862 C ASN A 60 10.598 6.571 4.952 1.00 0.00 C ATOM 863 O ASN A 60 9.669 6.815 5.714 1.00 0.00 O ATOM 864 CB ASN A 60 10.732 8.688 3.579 1.00 0.00 C ATOM 865 CG ASN A 60 10.861 9.267 2.179 1.00 0.00 C ATOM 866 OD1 ASN A 60 12.093 9.215 1.656 1.00 0.00 O flip ATOM 867 ND2 ASN A 60 9.932 9.696 1.497 1.00 0.00 N flip ATOM 0 H ASN A 60 8.568 7.354 3.297 1.00 0.00 H new ATOM 0 HA ASN A 60 11.496 6.732 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.848 9.102 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.593 8.986 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.991 9.739 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.103 10.009 0.541 1.00 0.00 H new ATOM 874 N GLY A 61 11.618 5.804 5.349 1.00 0.00 N ATOM 875 CA GLY A 61 12.003 5.536 6.716 1.00 0.00 C ATOM 876 C GLY A 61 13.051 6.499 7.267 1.00 0.00 C ATOM 877 O GLY A 61 13.410 7.471 6.611 1.00 0.00 O ATOM 0 H GLY A 61 12.224 5.332 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.116 5.581 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.390 4.519 6.781 1.00 0.00 H new ATOM 881 N PRO A 62 13.611 6.289 8.462 1.00 0.00 N ATOM 882 CA PRO A 62 14.598 7.187 9.042 1.00 0.00 C ATOM 883 C PRO A 62 15.883 7.258 8.232 1.00 0.00 C ATOM 884 O PRO A 62 16.427 6.214 7.872 1.00 0.00 O ATOM 885 CB PRO A 62 14.719 6.631 10.456 1.00 0.00 C ATOM 886 CG PRO A 62 14.410 5.131 10.430 1.00 0.00 C ATOM 887 CD PRO A 62 13.335 5.176 9.336 1.00 0.00 C ATOM 0 HA PRO A 62 14.321 8.241 9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.724 6.802 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.028 7.146 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.271 4.520 10.160 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.037 4.753 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.332 4.244 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.346 5.282 9.782 1.00 0.00 H new ATOM 933 N VAL A 66 14.908 4.812 1.911 1.00 0.00 N ATOM 934 CA VAL A 66 14.031 5.199 0.825 1.00 0.00 C ATOM 935 C VAL A 66 13.486 3.928 0.187 1.00 0.00 C ATOM 936 O VAL A 66 14.255 3.130 -0.330 1.00 0.00 O ATOM 937 CB VAL A 66 14.740 6.228 -0.036 1.00 0.00 C ATOM 938 CG1 VAL A 66 13.814 6.683 -1.158 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.107 7.533 0.683 1.00 0.00 C ATOM 0 HA VAL A 66 13.129 5.733 1.123 1.00 0.00 H new ATOM 0 HB VAL A 66 15.646 5.717 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.326 7.422 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.538 5.826 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.915 7.127 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.609 8.204 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.201 8.010 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.772 7.314 1.518 1.00 0.00 H new ATOM 949 N VAL A 67 12.184 3.647 0.309 1.00 0.00 N ATOM 950 CA VAL A 67 11.642 2.354 -0.044 1.00 0.00 C ATOM 951 C VAL A 67 10.465 2.566 -1.004 1.00 0.00 C ATOM 952 O VAL A 67 9.751 3.551 -0.855 1.00 0.00 O ATOM 953 CB VAL A 67 11.307 1.627 1.262 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.148 0.642 1.144 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.431 0.786 1.856 1.00 0.00 C ATOM 0 H VAL A 67 11.491 4.311 0.653 1.00 0.00 H new ATOM 0 HA VAL A 67 12.342 1.715 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 67 11.075 2.480 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.973 0.169 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.249 1.174 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.393 -0.121 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.086 0.317 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.724 0.015 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.288 1.424 2.073 1.00 0.00 H new ATOM 965 N ASP A 68 10.164 1.622 -1.894 1.00 0.00 N ATOM 966 CA ASP A 68 8.814 1.495 -2.405 1.00 0.00 C ATOM 967 C ASP A 68 8.258 0.111 -2.122 1.00 0.00 C ATOM 968 O ASP A 68 8.883 -0.951 -2.162 1.00 0.00 O ATOM 969 CB ASP A 68 8.774 1.834 -3.900 1.00 0.00 C ATOM 970 CG ASP A 68 9.939 1.244 -4.672 1.00 0.00 C ATOM 971 OD1 ASP A 68 9.724 0.187 -5.301 1.00 0.00 O ATOM 972 OD2 ASP A 68 11.026 1.835 -4.814 1.00 0.00 O1- ATOM 0 H ASP A 68 10.831 0.946 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 68 8.174 2.210 -1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.840 1.467 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.776 2.917 -4.022 1.00 0.00 H new ATOM 977 N ALA A 69 6.977 0.149 -1.753 1.00 0.00 N ATOM 978 CA ALA A 69 6.172 -1.006 -1.420 1.00 0.00 C ATOM 979 C ALA A 69 5.578 -1.520 -2.730 1.00 0.00 C ATOM 980 O ALA A 69 4.895 -0.855 -3.496 1.00 0.00 O ATOM 981 CB ALA A 69 5.089 -0.774 -0.366 1.00 0.00 C ATOM 0 H ALA A 69 6.460 1.025 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 69 6.820 -1.741 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.546 -1.703 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.551 -0.444 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.397 -0.009 -0.718 1.00 0.00 H new ATOM 987 N LYS A 70 5.795 -2.805 -3.012 1.00 0.00 N ATOM 988 CA LYS A 70 5.558 -3.462 -4.282 1.00 0.00 C ATOM 989 C LYS A 70 4.097 -3.832 -4.446 1.00 0.00 C ATOM 990 O LYS A 70 3.531 -4.408 -3.512 1.00 0.00 O ATOM 991 CB LYS A 70 6.546 -4.615 -4.506 1.00 0.00 C ATOM 992 CG LYS A 70 8.020 -4.294 -4.338 1.00 0.00 C ATOM 993 CD LYS A 70 8.467 -3.144 -5.232 1.00 0.00 C ATOM 994 CE LYS A 70 9.989 -3.151 -5.286 1.00 0.00 C ATOM 995 NZ LYS A 70 10.487 -2.302 -4.192 1.00 0.00 N1+ ATOM 0 H LYS A 70 6.164 -3.448 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 70 5.761 -2.759 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.292 -5.419 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.395 -5.001 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.218 -4.040 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.611 -5.181 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.050 -3.256 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.104 -2.194 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.369 -4.167 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.338 -2.776 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.460 -2.579 -3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.475 -1.306 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.878 -2.419 -3.357 1.00 0.00 H new ATOM 1009 N VAL A 71 3.550 -3.525 -5.628 1.00 0.00 N ATOM 1010 CA VAL A 71 2.131 -3.584 -5.896 1.00 0.00 C ATOM 1011 C VAL A 71 1.904 -4.780 -6.799 1.00 0.00 C ATOM 1012 O VAL A 71 2.607 -5.112 -7.750 1.00 0.00 O ATOM 1013 CB VAL A 71 1.643 -2.301 -6.553 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.147 -2.412 -6.832 1.00 0.00 C ATOM 1015 CG2 VAL A 71 1.904 -0.996 -5.787 1.00 0.00 C ATOM 0 H VAL A 71 4.102 -3.225 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 71 1.568 -3.688 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 71 2.239 -2.221 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.204 -1.494 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.037 -3.255 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.387 -2.567 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.510 -0.154 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.410 -1.039 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.977 -0.867 -5.643 1.00 0.00 H new ATOM 1025 N THR A 72 0.789 -5.451 -6.461 1.00 0.00 N ATOM 1026 CA THR A 72 0.314 -6.544 -7.290 1.00 0.00 C ATOM 1027 C THR A 72 -1.207 -6.555 -7.298 1.00 0.00 C ATOM 1028 O THR A 72 -1.835 -6.355 -6.267 1.00 0.00 O ATOM 1029 CB THR A 72 0.875 -7.840 -6.731 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.276 -7.918 -6.898 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.259 -9.130 -7.261 1.00 0.00 C ATOM 0 H THR A 72 0.220 -5.254 -5.638 1.00 0.00 H new ATOM 0 HA THR A 72 0.649 -6.425 -8.320 1.00 0.00 H new ATOM 0 HB THR A 72 0.600 -7.779 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.603 -8.763 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.742 -9.985 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.807 -9.144 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.401 -9.184 -8.340 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.775 -6.559 -8.513 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.192 -6.625 -8.774 1.00 0.00 C ATOM 1041 C ASP A 73 -3.801 -7.934 -8.269 1.00 0.00 C ATOM 1042 O ASP A 73 -3.309 -9.015 -8.600 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.305 -6.408 -10.282 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.712 -6.390 -10.851 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.730 -6.756 -10.221 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.690 -6.055 -12.053 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.221 -6.514 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.768 -5.871 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.823 -5.462 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.742 -7.194 -10.785 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.895 -7.877 -7.502 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.641 -9.038 -7.068 1.00 0.00 C ATOM 1053 C ASN A 74 -6.639 -9.585 -8.052 1.00 0.00 C ATOM 1054 O ASN A 74 -7.164 -10.668 -7.779 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.294 -8.898 -5.698 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.406 -8.685 -4.479 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.481 -9.420 -4.162 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.766 -7.671 -3.683 1.00 0.00 N ATOM 0 H ASN A 74 -5.286 -6.998 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.841 -9.775 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.991 -8.061 -5.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.886 -9.796 -5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.268 -7.508 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.538 -7.061 -3.952 1.00 0.00 H new ATOM 1065 N ASN A 75 -6.953 -8.874 -9.138 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.988 -9.166 -10.110 1.00 0.00 C ATOM 1067 C ASN A 75 -9.418 -9.149 -9.593 1.00 0.00 C ATOM 1068 O ASN A 75 -10.172 -10.114 -9.712 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.637 -10.311 -11.057 1.00 0.00 C ATOM 1070 CG ASN A 75 -6.228 -10.350 -11.638 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.705 -11.405 -11.962 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.541 -9.215 -11.841 1.00 0.00 N ATOM 0 H ASN A 75 -6.448 -8.018 -9.370 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.994 -8.284 -10.751 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.806 -11.248 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.341 -10.285 -11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.610 -9.250 -12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.950 -8.318 -11.581 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.739 -8.066 -8.863 1.00 0.00 N ATOM 1080 CA ASP A 76 -11.069 -7.832 -8.323 1.00 0.00 C ATOM 1081 C ASP A 76 -11.460 -6.399 -8.003 1.00 0.00 C ATOM 1082 O ASP A 76 -12.529 -6.024 -7.517 1.00 0.00 O ATOM 1083 CB ASP A 76 -11.234 -8.572 -6.998 1.00 0.00 C ATOM 1084 CG ASP A 76 -10.249 -8.142 -5.916 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.260 -7.434 -6.238 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -10.514 -8.465 -4.733 1.00 0.00 O1- ATOM 0 H ASP A 76 -9.071 -7.330 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.703 -8.176 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.249 -8.417 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.118 -9.641 -7.175 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.602 -5.459 -8.411 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.708 -4.026 -8.211 1.00 0.00 C ATOM 1093 C GLY A 77 -9.909 -3.652 -6.966 1.00 0.00 C ATOM 1094 O GLY A 77 -10.051 -2.506 -6.537 1.00 0.00 O ATOM 0 H GLY A 77 -9.757 -5.706 -8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.326 -3.493 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.752 -3.736 -8.093 1.00 0.00 H new ATOM 1098 N THR A 78 -9.012 -4.525 -6.514 1.00 0.00 N ATOM 1099 CA THR A 78 -8.082 -4.246 -5.421 1.00 0.00 C ATOM 1100 C THR A 78 -6.679 -4.746 -5.727 1.00 0.00 C ATOM 1101 O THR A 78 -6.515 -5.511 -6.680 1.00 0.00 O ATOM 1102 CB THR A 78 -8.494 -4.928 -4.110 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.307 -6.307 -4.282 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.925 -4.531 -3.777 1.00 0.00 C ATOM 0 H THR A 78 -8.909 -5.462 -6.903 1.00 0.00 H new ATOM 0 HA THR A 78 -8.102 -3.161 -5.315 1.00 0.00 H new ATOM 0 HB THR A 78 -7.890 -4.616 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.392 -6.533 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.228 -5.010 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.985 -3.449 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.588 -4.849 -4.582 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.723 -4.294 -4.923 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.319 -4.533 -5.144 1.00 0.00 C ATOM 1114 C TYR A 79 -3.676 -4.886 -3.808 1.00 0.00 C ATOM 1115 O TYR A 79 -3.781 -4.067 -2.894 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.619 -3.333 -5.777 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.069 -3.102 -7.202 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.240 -3.322 -8.305 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.305 -2.478 -7.393 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.627 -2.932 -9.600 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.738 -2.105 -8.670 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.871 -2.288 -9.768 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.285 -2.000 -11.036 1.00 0.00 O ATOM 0 H TYR A 79 -5.915 -3.742 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.212 -5.358 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.821 -2.441 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.541 -3.491 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.283 -3.801 -8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.937 -2.280 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.985 -3.122 -10.448 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.722 -1.683 -8.813 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.159 -1.558 -11.002 1.00 0.00 H new ATOM 1133 N GLY A 80 -3.056 -6.067 -3.710 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.126 -6.337 -2.610 1.00 0.00 C ATOM 1135 C GLY A 80 -0.775 -5.668 -2.785 1.00 0.00 C ATOM 1136 O GLY A 80 -0.180 -5.580 -3.859 1.00 0.00 O ATOM 0 H GLY A 80 -3.178 -6.838 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.573 -5.998 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.981 -7.414 -2.522 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.289 -5.043 -1.707 1.00 0.00 N ATOM 1141 CA VAL A 81 1.019 -4.466 -1.488 1.00 0.00 C ATOM 1142 C VAL A 81 1.791 -5.134 -0.360 1.00 0.00 C ATOM 1143 O VAL A 81 1.179 -5.533 0.623 1.00 0.00 O ATOM 1144 CB VAL A 81 0.787 -2.971 -1.247 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.082 -2.236 -0.948 1.00 0.00 C ATOM 1146 CG2 VAL A 81 0.106 -2.237 -2.394 1.00 0.00 C ATOM 0 H VAL A 81 -0.877 -4.922 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 81 1.657 -4.626 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 81 0.117 -2.959 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.871 -1.179 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.542 -2.658 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.764 -2.343 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.016 -1.186 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.718 -2.319 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.872 -2.680 -2.580 1.00 0.00 H new ATOM 1156 N VAL A 82 3.107 -5.186 -0.530 1.00 0.00 N ATOM 1157 CA VAL A 82 4.007 -5.709 0.484 1.00 0.00 C ATOM 1158 C VAL A 82 5.236 -4.827 0.715 1.00 0.00 C ATOM 1159 O VAL A 82 5.713 -4.210 -0.235 1.00 0.00 O ATOM 1160 CB VAL A 82 4.415 -7.083 -0.042 1.00 0.00 C ATOM 1161 CG1 VAL A 82 5.328 -7.173 -1.253 1.00 0.00 C ATOM 1162 CG2 VAL A 82 5.133 -7.822 1.080 1.00 0.00 C ATOM 0 H VAL A 82 3.578 -4.866 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 82 3.515 -5.749 1.456 1.00 0.00 H new ATOM 0 HB VAL A 82 3.466 -7.502 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.516 -8.220 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.851 -6.688 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.273 -6.676 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.436 -8.809 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.015 -7.257 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.462 -7.929 1.932 1.00 0.00 H new ATOM 1172 N TYR A 83 5.637 -4.718 1.979 1.00 0.00 N ATOM 1173 CA TYR A 83 6.906 -4.124 2.353 1.00 0.00 C ATOM 1174 C TYR A 83 7.320 -4.503 3.773 1.00 0.00 C ATOM 1175 O TYR A 83 6.486 -5.098 4.439 1.00 0.00 O ATOM 1176 CB TYR A 83 7.017 -2.608 2.224 1.00 0.00 C ATOM 1177 CG TYR A 83 6.121 -1.762 3.090 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.722 -1.836 3.053 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.762 -0.704 3.752 1.00 0.00 C ATOM 1180 CE1 TYR A 83 4.007 -1.005 3.919 1.00 0.00 C ATOM 1181 CE2 TYR A 83 6.078 0.190 4.576 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.681 0.009 4.645 1.00 0.00 C ATOM 1183 OH TYR A 83 3.986 0.841 5.464 1.00 0.00 O ATOM 0 H TYR A 83 5.084 -5.043 2.772 1.00 0.00 H new ATOM 0 HA TYR A 83 7.579 -4.550 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.049 -2.328 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.823 -2.345 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.215 -2.511 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.826 -0.577 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.941 -1.135 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.585 0.970 5.125 1.00 0.00 H new ATOM 0 HH TYR A 83 3.202 0.372 5.818 1.00 0.00 H new ATOM 1193 N ASP A 84 8.584 -4.242 4.163 1.00 0.00 N ATOM 1194 CA ASP A 84 9.238 -4.764 5.349 1.00 0.00 C ATOM 1195 C ASP A 84 10.176 -3.699 5.909 1.00 0.00 C ATOM 1196 O ASP A 84 10.545 -2.789 5.171 1.00 0.00 O ATOM 1197 CB ASP A 84 9.919 -6.087 5.038 1.00 0.00 C ATOM 1198 CG ASP A 84 10.928 -6.121 3.898 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.314 -7.268 3.559 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.403 -5.080 3.397 1.00 0.00 O1- ATOM 0 H ASP A 84 9.195 -3.629 3.623 1.00 0.00 H new ATOM 0 HA ASP A 84 8.509 -4.987 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.426 -6.422 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.142 -6.819 4.818 1.00 0.00 H new ATOM 1205 N ALA A 85 10.465 -3.749 7.216 1.00 0.00 N ATOM 1206 CA ALA A 85 11.085 -2.728 8.031 1.00 0.00 C ATOM 1207 C ALA A 85 12.335 -3.181 8.766 1.00 0.00 C ATOM 1208 O ALA A 85 12.285 -4.169 9.488 1.00 0.00 O ATOM 1209 CB ALA A 85 10.140 -2.186 9.097 1.00 0.00 C ATOM 0 H ALA A 85 10.247 -4.581 7.765 1.00 0.00 H new ATOM 0 HA ALA A 85 11.351 -1.964 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.652 -1.422 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.264 -1.749 8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.828 -2.998 9.754 1.00 0.00 H new ATOM 1215 N PRO A 86 13.536 -2.635 8.559 1.00 0.00 N ATOM 1216 CA PRO A 86 14.742 -3.132 9.197 1.00 0.00 C ATOM 1217 C PRO A 86 14.774 -2.799 10.686 1.00 0.00 C ATOM 1218 O PRO A 86 15.632 -3.297 11.394 1.00 0.00 O ATOM 1219 CB PRO A 86 15.931 -2.671 8.361 1.00 0.00 C ATOM 1220 CG PRO A 86 15.393 -1.432 7.649 1.00 0.00 C ATOM 1221 CD PRO A 86 13.892 -1.643 7.572 1.00 0.00 C ATOM 0 HA PRO A 86 14.780 -4.221 9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.794 -2.435 8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.248 -3.437 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.636 -0.524 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.828 -1.328 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.364 -0.708 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.603 -1.975 6.575 1.00 0.00 H new ATOM 1229 N VAL A 87 13.927 -1.890 11.186 1.00 0.00 N ATOM 1230 CA VAL A 87 14.193 -0.873 12.173 1.00 0.00 C ATOM 1231 C VAL A 87 13.090 -0.709 13.218 1.00 0.00 C ATOM 1232 O VAL A 87 11.927 -0.517 12.911 1.00 0.00 O ATOM 1233 CB VAL A 87 14.442 0.501 11.564 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.866 0.528 11.036 1.00 0.00 C ATOM 1235 CG2 VAL A 87 13.526 0.814 10.377 1.00 0.00 C ATOM 0 H VAL A 87 12.957 -1.857 10.873 1.00 0.00 H new ATOM 0 HA VAL A 87 15.096 -1.242 12.660 1.00 0.00 H new ATOM 0 HB VAL A 87 14.252 1.236 12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 87 16.072 1.503 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.561 0.348 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.988 -0.247 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.757 1.807 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.683 0.074 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.486 0.783 10.702 1.00 0.00 H new ATOM 1245 N GLU A 88 13.418 -0.647 14.518 1.00 0.00 N ATOM 1246 CA GLU A 88 12.638 0.214 15.380 1.00 0.00 C ATOM 1247 C GLU A 88 12.532 1.665 14.926 1.00 0.00 C ATOM 1248 O GLU A 88 13.519 2.367 14.730 1.00 0.00 O ATOM 1249 CB GLU A 88 13.192 0.257 16.800 1.00 0.00 C ATOM 1250 CG GLU A 88 12.316 1.154 17.672 1.00 0.00 C ATOM 1251 CD GLU A 88 12.404 0.897 19.174 1.00 0.00 C ATOM 1252 OE1 GLU A 88 12.012 1.789 19.948 1.00 0.00 O ATOM 1253 OE2 GLU A 88 12.731 -0.180 19.709 1.00 0.00 O1- ATOM 0 H GLU A 88 14.179 -1.158 14.965 1.00 0.00 H new ATOM 0 HA GLU A 88 11.649 -0.243 15.336 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.226 -0.749 17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.215 0.632 16.789 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.587 2.193 17.482 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.279 1.033 17.360 1.00 0.00 H new ATOM 1260 N GLY A 89 11.383 2.199 14.509 1.00 0.00 N ATOM 1261 CA GLY A 89 11.270 3.529 13.942 1.00 0.00 C ATOM 1262 C GLY A 89 9.923 3.835 13.287 1.00 0.00 C ATOM 1263 O GLY A 89 8.967 3.102 13.534 1.00 0.00 O ATOM 0 H GLY A 89 10.493 1.704 14.560 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.450 4.261 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.057 3.660 13.200 1.00 0.00 H new ATOM 1267 N ASN A 90 9.837 4.615 12.207 1.00 0.00 N ATOM 1268 CA ASN A 90 8.640 5.050 11.517 1.00 0.00 C ATOM 1269 C ASN A 90 8.777 5.188 10.015 1.00 0.00 C ATOM 1270 O ASN A 90 9.813 5.708 9.602 1.00 0.00 O ATOM 1271 CB ASN A 90 8.141 6.317 12.221 1.00 0.00 C ATOM 1272 CG ASN A 90 6.655 6.544 12.019 1.00 0.00 C ATOM 1273 OD1 ASN A 90 6.323 7.520 11.172 1.00 0.00 O flip ATOM 1274 ND2 ASN A 90 5.820 5.957 12.708 1.00 0.00 N flip ATOM 0 H ASN A 90 10.678 4.984 11.763 1.00 0.00 H new ATOM 0 HA ASN A 90 7.888 4.265 11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.353 6.244 13.288 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.692 7.179 11.845 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.114 5.216 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.835 6.212 12.643 1.00 0.00 H new ATOM 1281 N TYR A 91 7.820 4.663 9.251 1.00 0.00 N ATOM 1282 CA TYR A 91 7.724 4.804 7.805 1.00 0.00 C ATOM 1283 C TYR A 91 6.647 5.860 7.591 1.00 0.00 C ATOM 1284 O TYR A 91 5.711 5.963 8.383 1.00 0.00 O ATOM 1285 CB TYR A 91 7.447 3.536 6.994 1.00 0.00 C ATOM 1286 CG TYR A 91 8.550 2.579 6.620 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.688 2.952 5.904 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.392 1.210 6.869 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.635 2.042 5.400 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.350 0.277 6.456 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.465 0.678 5.699 1.00 0.00 C ATOM 1292 OH TYR A 91 11.401 -0.242 5.319 1.00 0.00 O ATOM 0 H TYR A 91 7.061 4.105 9.642 1.00 0.00 H new ATOM 0 HA TYR A 91 8.705 5.081 7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.705 2.962 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.975 3.853 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.852 4.004 5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.511 0.867 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.468 2.380 4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.231 -0.763 6.722 1.00 0.00 H new ATOM 0 HH TYR A 91 10.986 -1.128 5.266 1.00 0.00 H new ATOM 1302 N ASN A 92 6.879 6.571 6.489 1.00 0.00 N ATOM 1303 CA ASN A 92 6.144 7.691 5.934 1.00 0.00 C ATOM 1304 C ASN A 92 5.752 7.468 4.489 1.00 0.00 C ATOM 1305 O ASN A 92 6.525 7.400 3.543 1.00 0.00 O ATOM 1306 CB ASN A 92 6.971 8.959 6.231 1.00 0.00 C ATOM 1307 CG ASN A 92 6.208 10.244 5.986 1.00 0.00 C ATOM 1308 OD1 ASN A 92 6.446 10.930 4.987 1.00 0.00 O ATOM 1309 ND2 ASN A 92 5.306 10.699 6.866 1.00 0.00 N ATOM 0 H ASN A 92 7.681 6.344 5.901 1.00 0.00 H new ATOM 0 HA ASN A 92 5.169 7.813 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.302 8.934 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.867 8.953 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.837 11.590 6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.088 10.155 7.701 1.00 0.00 H new ATOM 1316 N VAL A 93 4.456 7.213 4.301 1.00 0.00 N ATOM 1317 CA VAL A 93 3.927 6.545 3.126 1.00 0.00 C ATOM 1318 C VAL A 93 3.106 7.553 2.321 1.00 0.00 C ATOM 1319 O VAL A 93 2.184 8.178 2.827 1.00 0.00 O ATOM 1320 CB VAL A 93 3.039 5.346 3.484 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.531 4.536 2.302 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.601 4.315 4.469 1.00 0.00 C ATOM 0 H VAL A 93 3.738 7.472 4.977 1.00 0.00 H new ATOM 0 HA VAL A 93 4.769 6.166 2.547 1.00 0.00 H new ATOM 0 HB VAL A 93 2.236 5.903 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.914 3.713 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.936 5.177 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.378 4.137 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.866 3.526 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.515 3.883 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.822 4.802 5.419 1.00 0.00 H new ATOM 1332 N ASN A 94 3.413 7.557 1.030 1.00 0.00 N ATOM 1333 CA ASN A 94 2.801 8.282 -0.066 1.00 0.00 C ATOM 1334 C ASN A 94 2.418 7.326 -1.174 1.00 0.00 C ATOM 1335 O ASN A 94 3.284 6.785 -1.860 1.00 0.00 O ATOM 1336 CB ASN A 94 3.688 9.446 -0.519 1.00 0.00 C ATOM 1337 CG ASN A 94 2.906 10.552 -1.199 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.199 10.358 -2.180 1.00 0.00 O ATOM 1339 ND2 ASN A 94 2.920 11.779 -0.665 1.00 0.00 N ATOM 0 H ASN A 94 4.187 6.985 0.692 1.00 0.00 H new ATOM 0 HA ASN A 94 1.873 8.744 0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.211 9.856 0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.449 9.072 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.352 12.520 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 94 3.498 11.973 0.152 1.00 0.00 H new ATOM 1346 N VAL A 95 1.105 7.291 -1.493 1.00 0.00 N ATOM 1347 CA VAL A 95 0.607 6.593 -2.646 1.00 0.00 C ATOM 1348 C VAL A 95 0.310 7.461 -3.861 1.00 0.00 C ATOM 1349 O VAL A 95 -0.129 8.605 -3.707 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.617 5.826 -2.156 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.446 5.088 -3.195 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.334 4.874 -0.997 1.00 0.00 C ATOM 0 H VAL A 95 0.380 7.753 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 95 1.383 5.934 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.228 6.663 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.282 4.589 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.827 5.799 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.824 4.347 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.255 4.368 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.405 4.134 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.051 5.439 -0.148 1.00 0.00 H new ATOM 1362 N THR A 96 0.446 7.019 -5.113 1.00 0.00 N ATOM 1363 CA THR A 96 0.231 7.780 -6.323 1.00 0.00 C ATOM 1364 C THR A 96 -0.232 6.923 -7.490 1.00 0.00 C ATOM 1365 O THR A 96 0.030 5.728 -7.508 1.00 0.00 O ATOM 1366 CB THR A 96 1.439 8.519 -6.884 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.633 7.771 -6.832 1.00 0.00 O ATOM 1368 CG2 THR A 96 1.805 9.732 -6.013 1.00 0.00 C ATOM 0 H THR A 96 0.727 6.058 -5.310 1.00 0.00 H new ATOM 0 HA THR A 96 -0.517 8.491 -5.972 1.00 0.00 H new ATOM 0 HB THR A 96 1.133 8.757 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.367 8.300 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.671 10.238 -6.440 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.962 10.422 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.042 9.397 -5.003 1.00 0.00 H new ATOM 1376 N LEU A 97 -1.034 7.535 -8.365 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.954 6.928 -9.309 1.00 0.00 C ATOM 1378 C LEU A 97 -1.718 7.486 -10.705 1.00 0.00 C ATOM 1379 O LEU A 97 -1.778 8.697 -10.895 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.339 7.402 -8.871 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.030 6.478 -7.875 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.418 6.487 -6.486 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -5.520 6.792 -7.809 1.00 0.00 C ATOM 0 H LEU A 97 -1.052 8.553 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.838 5.844 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.248 8.393 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.971 7.505 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.880 5.466 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.970 5.803 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.377 6.170 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.468 7.495 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.001 6.125 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.660 7.825 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.966 6.651 -8.794 1.00 0.00 H new ATOM 1395 N ARG A 98 -1.113 6.628 -11.537 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.415 6.969 -12.756 1.00 0.00 C ATOM 1397 C ARG A 98 0.596 8.066 -12.438 1.00 0.00 C ATOM 1398 O ARG A 98 0.735 9.037 -13.177 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.476 7.331 -13.781 1.00 0.00 C ATOM 1400 CG ARG A 98 -1.022 7.120 -15.222 1.00 0.00 C ATOM 1401 CD ARG A 98 -0.138 8.162 -15.877 1.00 0.00 C ATOM 1402 NE ARG A 98 -0.152 8.074 -17.330 1.00 0.00 N ATOM 1403 CZ ARG A 98 0.783 8.484 -18.193 1.00 0.00 C ATOM 1404 NH1 ARG A 98 1.942 9.002 -17.777 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 0.662 8.189 -19.496 1.00 0.00 N ATOM 0 H ARG A 98 -1.105 5.624 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 98 0.171 6.154 -13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.368 6.732 -13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.760 8.375 -13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.493 6.168 -15.264 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.916 7.015 -15.836 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.468 9.156 -15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.885 8.042 -15.519 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.981 7.645 -17.742 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.131 9.093 -16.779 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.638 9.307 -18.458 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.141 7.654 -19.825 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.373 8.500 -20.158 1.00 0.00 H new ATOM 1419 N GLY A 99 1.317 7.893 -11.320 1.00 0.00 N ATOM 1420 CA GLY A 99 2.248 8.915 -10.919 1.00 0.00 C ATOM 1421 C GLY A 99 1.718 10.319 -10.666 1.00 0.00 C ATOM 1422 O GLY A 99 2.385 11.284 -11.029 1.00 0.00 O ATOM 0 H GLY A 99 1.266 7.079 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.740 8.577 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.017 8.984 -11.689 1.00 0.00 H new ATOM 1426 N ASN A 100 0.439 10.398 -10.298 1.00 0.00 N ATOM 1427 CA ASN A 100 -0.243 11.619 -9.905 1.00 0.00 C ATOM 1428 C ASN A 100 -0.794 11.444 -8.504 1.00 0.00 C ATOM 1429 O ASN A 100 -1.158 10.331 -8.112 1.00 0.00 O ATOM 1430 CB ASN A 100 -1.327 11.999 -10.904 1.00 0.00 C ATOM 1431 CG ASN A 100 -0.802 12.175 -12.330 1.00 0.00 C ATOM 1432 OD1 ASN A 100 0.076 12.985 -12.614 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -1.272 11.315 -13.250 1.00 0.00 N ATOM 0 H ASN A 100 -0.168 9.579 -10.266 1.00 0.00 H new ATOM 0 HA ASN A 100 0.467 12.446 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.099 11.230 -10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.800 12.927 -10.581 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.899 11.329 -14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.002 10.648 -12.999 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.772 12.508 -7.691 1.00 0.00 N ATOM 1441 CA PRO A 101 -1.042 12.407 -6.274 1.00 0.00 C ATOM 1442 C PRO A 101 -2.555 12.417 -6.072 1.00 0.00 C ATOM 1443 O PRO A 101 -3.405 12.599 -6.954 1.00 0.00 O ATOM 1444 CB PRO A 101 -0.607 13.692 -5.572 1.00 0.00 C ATOM 1445 CG PRO A 101 -0.552 14.709 -6.719 1.00 0.00 C ATOM 1446 CD PRO A 101 -0.324 13.864 -7.971 1.00 0.00 C ATOM 0 HA PRO A 101 -0.538 11.517 -5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.317 13.991 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.362 13.578 -5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.479 15.279 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.254 15.428 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.874 14.279 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.731 13.867 -8.245 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.924 12.240 -4.806 1.00 0.00 N ATOM 1455 CA ILE A 102 -4.254 11.950 -4.294 1.00 0.00 C ATOM 1456 C ILE A 102 -4.411 12.539 -2.897 1.00 0.00 C ATOM 1457 O ILE A 102 -3.549 13.314 -2.498 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.486 10.444 -4.264 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.453 9.872 -3.297 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.590 9.849 -5.668 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -3.584 8.352 -3.228 1.00 0.00 C ATOM 0 H ILE A 102 -2.240 12.302 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.996 12.403 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.462 10.157 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.449 10.144 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.594 10.302 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.755 8.774 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.424 10.310 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.665 10.038 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.842 7.954 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.583 8.088 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.420 7.927 -4.218 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.560 12.286 -2.256 1.00 0.00 N ATOM 1474 CA LYS A 103 -5.906 12.826 -0.956 1.00 0.00 C ATOM 1475 C LYS A 103 -5.285 12.060 0.197 1.00 0.00 C ATOM 1476 O LYS A 103 -4.836 10.914 0.083 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.426 12.649 -0.891 1.00 0.00 C ATOM 1478 CG LYS A 103 -8.310 13.217 -2.005 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.782 13.231 -1.614 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.232 14.144 -0.473 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.692 14.294 -0.292 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.285 11.684 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.550 13.852 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.626 11.579 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.764 13.089 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.988 14.231 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.181 12.622 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.356 13.502 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.064 12.211 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.809 13.764 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.804 15.133 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.966 15.279 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.190 13.661 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.948 14.048 0.686 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.293 12.715 1.360 1.00 0.00 N ATOM 1496 CA ASN A 104 -4.978 12.049 2.611 1.00 0.00 C ATOM 1497 C ASN A 104 -3.609 11.382 2.719 1.00 0.00 C ATOM 1498 O ASN A 104 -3.612 10.198 3.020 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.180 11.214 3.053 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.430 12.079 3.121 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.255 12.050 2.230 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.614 12.838 4.217 1.00 0.00 N ATOM 0 H ASN A 104 -5.515 13.706 1.454 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.820 12.828 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.336 10.392 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.984 10.770 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.458 13.403 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.909 12.849 4.954 1.00 0.00 H new ATOM 1509 N MET A 105 -2.474 12.045 2.485 1.00 0.00 N ATOM 1510 CA MET A 105 -1.157 11.498 2.217 1.00 0.00 C ATOM 1511 C MET A 105 -0.198 12.643 2.419 1.00 0.00 C ATOM 1512 O MET A 105 -0.448 13.740 1.936 1.00 0.00 O ATOM 1513 CB MET A 105 -1.146 11.100 0.740 1.00 0.00 C ATOM 1514 CG MET A 105 -1.711 9.724 0.433 1.00 0.00 C ATOM 1515 SD MET A 105 -0.624 8.351 0.896 1.00 0.00 S ATOM 1516 CE MET A 105 -1.737 7.317 1.904 1.00 0.00 C ATOM 0 H MET A 105 -2.460 13.065 2.479 1.00 0.00 H new ATOM 0 HA MET A 105 -0.900 10.646 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.713 11.841 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.119 11.142 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.662 9.610 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.922 9.661 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.198 6.437 2.255 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.091 7.891 2.760 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.589 7.004 1.300 1.00 0.00 H new ATOM 1526 N PRO A 106 1.019 12.333 2.901 1.00 0.00 N ATOM 1527 CA PRO A 106 1.556 11.078 3.375 1.00 0.00 C ATOM 1528 C PRO A 106 0.915 10.707 4.700 1.00 0.00 C ATOM 1529 O PRO A 106 0.400 11.531 5.451 1.00 0.00 O ATOM 1530 CB PRO A 106 3.093 11.195 3.435 1.00 0.00 C ATOM 1531 CG PRO A 106 3.229 12.683 3.711 1.00 0.00 C ATOM 1532 CD PRO A 106 2.090 13.315 2.913 1.00 0.00 C ATOM 0 HA PRO A 106 1.320 10.261 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.528 10.582 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.571 10.898 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.139 12.901 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.199 13.061 3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.761 14.247 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.410 13.556 1.899 1.00 0.00 H new ATOM 1540 N ILE A 107 1.075 9.445 5.096 1.00 0.00 N ATOM 1541 CA ILE A 107 0.660 8.889 6.364 1.00 0.00 C ATOM 1542 C ILE A 107 1.836 8.133 6.953 1.00 0.00 C ATOM 1543 O ILE A 107 2.881 8.031 6.305 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.670 8.117 6.252 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.598 6.956 5.290 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -1.821 8.970 5.732 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.774 5.996 5.495 1.00 0.00 C ATOM 0 H ILE A 107 1.525 8.751 4.499 1.00 0.00 H new ATOM 0 HA ILE A 107 0.406 9.671 7.079 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.845 7.788 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.603 7.328 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.341 6.421 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.726 8.365 5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.985 9.810 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.576 9.346 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.696 5.169 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.753 5.607 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.711 6.528 5.329 1.00 0.00 H new ATOM 1559 N ASP A 108 1.658 7.657 8.193 1.00 0.00 N ATOM 1560 CA ASP A 108 2.692 7.116 9.060 1.00 0.00 C ATOM 1561 C ASP A 108 2.476 5.718 9.624 1.00 0.00 C ATOM 1562 O ASP A 108 1.373 5.395 10.051 1.00 0.00 O ATOM 1563 CB ASP A 108 2.972 8.207 10.094 1.00 0.00 C ATOM 1564 CG ASP A 108 3.352 9.538 9.462 1.00 0.00 C ATOM 1565 OD1 ASP A 108 4.561 9.840 9.303 1.00 0.00 O ATOM 1566 OD2 ASP A 108 2.537 10.455 9.219 1.00 0.00 O1- ATOM 0 H ASP A 108 0.738 7.642 8.633 1.00 0.00 H new ATOM 0 HA ASP A 108 3.578 6.894 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.088 8.345 10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.777 7.879 10.751 1.00 0.00 H new ATOM 1571 N VAL A 109 3.528 4.900 9.670 1.00 0.00 N ATOM 1572 CA VAL A 109 3.435 3.517 10.098 1.00 0.00 C ATOM 1573 C VAL A 109 4.670 2.999 10.810 1.00 0.00 C ATOM 1574 O VAL A 109 5.821 3.204 10.428 1.00 0.00 O ATOM 1575 CB VAL A 109 3.222 2.618 8.889 1.00 0.00 C ATOM 1576 CG1 VAL A 109 2.610 1.291 9.344 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.395 3.233 7.757 1.00 0.00 C ATOM 0 H VAL A 109 4.471 5.187 9.408 1.00 0.00 H new ATOM 0 HA VAL A 109 2.601 3.493 10.799 1.00 0.00 H new ATOM 0 HB VAL A 109 4.209 2.463 8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.457 0.646 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.284 0.802 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.653 1.480 9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.301 2.514 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.404 3.491 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.891 4.132 7.391 1.00 0.00 H new ATOM 1587 N LYS A 110 4.401 2.480 12.005 1.00 0.00 N ATOM 1588 CA LYS A 110 5.356 2.028 12.995 1.00 0.00 C ATOM 1589 C LYS A 110 6.092 0.808 12.448 1.00 0.00 C ATOM 1590 O LYS A 110 5.423 -0.129 12.037 1.00 0.00 O ATOM 1591 CB LYS A 110 4.855 1.857 14.421 1.00 0.00 C ATOM 1592 CG LYS A 110 3.801 0.771 14.618 1.00 0.00 C ATOM 1593 CD LYS A 110 2.938 0.777 15.880 1.00 0.00 C ATOM 1594 CE LYS A 110 1.869 -0.298 15.727 1.00 0.00 C ATOM 1595 NZ LYS A 110 0.910 -0.261 16.831 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.439 2.359 12.323 1.00 0.00 H new ATOM 0 HA LYS A 110 6.053 2.853 13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.707 1.634 15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.441 2.807 14.759 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.127 0.811 13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.312 -0.191 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.550 0.583 16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.477 1.755 16.022 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.344 -0.158 14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.342 -1.279 15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.196 -1.005 16.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.409 -0.419 17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.442 0.667 16.853 1.00 0.00 H new ATOM 1609 N CYS A 111 7.426 0.870 12.513 1.00 0.00 N ATOM 1610 CA CYS A 111 8.348 -0.163 12.088 1.00 0.00 C ATOM 1611 C CYS A 111 8.899 -0.738 13.382 1.00 0.00 C ATOM 1612 O CYS A 111 9.144 -0.048 14.364 1.00 0.00 O ATOM 1613 CB CYS A 111 9.553 0.573 11.511 1.00 0.00 C ATOM 1614 SG CYS A 111 9.018 1.548 10.081 1.00 0.00 S ATOM 0 H CYS A 111 7.907 1.689 12.885 1.00 0.00 H new ATOM 0 HA CYS A 111 7.892 -0.885 11.411 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.994 1.223 12.266 1.00 0.00 H new ATOM 0 HB3 CYS A 111 10.323 -0.139 11.214 1.00 0.00 H new ATOM 0 HG CYS A 111 8.984 0.789 9.026 1.00 0.00 H new ATOM 1620 N ILE A 112 9.124 -2.047 13.484 1.00 0.00 N ATOM 1621 CA ILE A 112 9.773 -2.703 14.602 1.00 0.00 C ATOM 1622 C ILE A 112 10.627 -3.880 14.154 1.00 0.00 C ATOM 1623 O ILE A 112 10.280 -4.616 13.241 1.00 0.00 O ATOM 1624 CB ILE A 112 8.738 -3.016 15.687 1.00 0.00 C ATOM 1625 CG1 ILE A 112 7.751 -1.928 16.106 1.00 0.00 C ATOM 1626 CG2 ILE A 112 9.445 -3.612 16.902 1.00 0.00 C ATOM 1627 CD1 ILE A 112 6.693 -2.311 17.135 1.00 0.00 C ATOM 0 H ILE A 112 8.844 -2.702 12.754 1.00 0.00 H new ATOM 0 HA ILE A 112 10.495 -2.028 15.061 1.00 0.00 H new ATOM 0 HB ILE A 112 8.072 -3.727 15.198 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.321 -1.088 16.503 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.240 -1.572 15.212 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.711 -3.836 17.676 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.957 -4.529 16.611 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.172 -2.897 17.287 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.059 -1.449 17.343 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.082 -3.125 16.743 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.180 -2.634 18.055 1.00 0.00 H new ATOM 1639 N GLU A 113 11.795 -4.213 14.721 1.00 0.00 N ATOM 1640 CA GLU A 113 12.850 -4.979 14.089 1.00 0.00 C ATOM 1641 C GLU A 113 12.711 -6.464 14.417 1.00 0.00 C ATOM 1642 O GLU A 113 13.652 -7.086 14.892 1.00 0.00 O ATOM 1643 CB GLU A 113 14.183 -4.283 14.296 1.00 0.00 C ATOM 1644 CG GLU A 113 14.625 -4.172 15.748 1.00 0.00 C ATOM 1645 CD GLU A 113 15.549 -2.995 16.019 1.00 0.00 C ATOM 1646 OE1 GLU A 113 15.936 -2.816 17.198 1.00 0.00 O ATOM 1647 OE2 GLU A 113 15.686 -2.027 15.233 1.00 0.00 O1- ATOM 0 H GLU A 113 12.029 -3.938 15.675 1.00 0.00 H new ATOM 0 HA GLU A 113 12.769 -4.999 13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.949 -4.821 13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.124 -3.281 13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 113 13.742 -4.082 16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.131 -5.093 16.036 1.00 0.00 H new ATOM 1654 N GLY A 114 11.528 -7.023 14.167 1.00 0.00 N ATOM 1655 CA GLY A 114 11.094 -8.380 14.445 1.00 0.00 C ATOM 1656 C GLY A 114 11.499 -9.379 13.379 1.00 0.00 C ATOM 0 H GLY A 114 10.785 -6.483 13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.508 -8.696 15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.009 -8.391 14.548 1.00 0.00 H new