USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 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= 0.509 K(o=2.3,f=1) USER MOD Set 1.2: A 78 THR OG1 : rot -65:sc= 1.74 USER MOD Set 2.1: A 19 TYR OH : rot 162:sc= 0.193 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.187 X(o=0.38,f=0.019) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.658 F(o=-1.6!,f=-0.66) USER MOD Single : A 18 SER OG : rot 175:sc= 0.484 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 0.739 (180deg=-0.429) USER MOD Single : A 31 ASN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.0713 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.034) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.425 USER MOD Single : A 83 TYR OH : rot -7:sc= 0.567 USER MOD Single : A 90 ASN : amide:sc= 0.402 K(o=0.4,f=-1.7!) USER MOD Single : A 91 TYR OH : rot -154:sc= 0.409 USER MOD Single : A 92 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00612 K(o=-0.0061,f=-0.69) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.12) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00131) USER MOD Single : A 111 CYS SG : rot -154:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 165 N PRO A 11 -11.482 2.423 -18.018 1.00 0.00 N ATOM 166 CA PRO A 11 -11.682 3.629 -17.232 1.00 0.00 C ATOM 167 C PRO A 11 -10.677 3.958 -16.148 1.00 0.00 C ATOM 168 O PRO A 11 -10.119 3.047 -15.529 1.00 0.00 O ATOM 169 CB PRO A 11 -13.142 3.588 -16.800 1.00 0.00 C ATOM 170 CG PRO A 11 -13.383 2.105 -16.549 1.00 0.00 C ATOM 171 CD PRO A 11 -12.446 1.433 -17.544 1.00 0.00 C ATOM 0 HA PRO A 11 -11.468 4.498 -17.855 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.314 4.182 -15.903 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.803 3.979 -17.573 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.148 1.826 -15.522 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.423 1.830 -16.724 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.929 0.597 -17.072 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.012 1.025 -18.381 1.00 0.00 H new ATOM 179 N ALA A 12 -10.421 5.241 -15.892 1.00 0.00 N ATOM 180 CA ALA A 12 -9.452 5.695 -14.907 1.00 0.00 C ATOM 181 C ALA A 12 -9.840 5.657 -13.442 1.00 0.00 C ATOM 182 O ALA A 12 -10.962 5.977 -13.061 1.00 0.00 O ATOM 183 CB ALA A 12 -9.020 7.097 -15.324 1.00 0.00 C ATOM 0 H ALA A 12 -10.893 6.005 -16.376 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.646 4.961 -14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.290 7.480 -14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.572 7.059 -16.317 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.889 7.755 -15.342 1.00 0.00 H new ATOM 189 N PRO A 13 -9.066 5.090 -12.516 1.00 0.00 N ATOM 190 CA PRO A 13 -9.246 5.183 -11.082 1.00 0.00 C ATOM 191 C PRO A 13 -9.110 6.622 -10.614 1.00 0.00 C ATOM 192 O PRO A 13 -8.432 7.366 -11.337 1.00 0.00 O ATOM 193 CB PRO A 13 -8.196 4.227 -10.521 1.00 0.00 C ATOM 194 CG PRO A 13 -7.964 3.210 -11.633 1.00 0.00 C ATOM 195 CD PRO A 13 -7.932 4.219 -12.768 1.00 0.00 C ATOM 0 HA PRO A 13 -10.240 4.900 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.276 4.754 -10.268 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.547 3.744 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.034 2.652 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.766 2.478 -11.726 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.996 4.778 -12.775 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.017 3.728 -13.737 1.00 0.00 H new ATOM 203 N SER A 14 -9.786 7.011 -9.533 1.00 0.00 N ATOM 204 CA SER A 14 -9.907 8.396 -9.107 1.00 0.00 C ATOM 205 C SER A 14 -9.582 8.706 -7.656 1.00 0.00 C ATOM 206 O SER A 14 -9.442 7.795 -6.850 1.00 0.00 O ATOM 207 CB SER A 14 -11.317 8.912 -9.411 1.00 0.00 C ATOM 208 OG SER A 14 -11.383 10.302 -9.591 1.00 0.00 O ATOM 0 H SER A 14 -10.272 6.356 -8.921 1.00 0.00 H new ATOM 0 HA SER A 14 -9.134 8.906 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.688 8.420 -10.310 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.982 8.628 -8.595 1.00 0.00 H new ATOM 0 HG SER A 14 -12.308 10.563 -9.783 1.00 0.00 H new ATOM 214 N ALA A 15 -9.134 9.932 -7.374 1.00 0.00 N ATOM 215 CA ALA A 15 -8.803 10.335 -6.020 1.00 0.00 C ATOM 216 C ALA A 15 -9.985 10.276 -5.069 1.00 0.00 C ATOM 217 O ALA A 15 -9.770 9.918 -3.918 1.00 0.00 O ATOM 218 CB ALA A 15 -8.293 11.762 -6.207 1.00 0.00 C ATOM 0 H ALA A 15 -8.994 10.660 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.077 9.668 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.009 12.177 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.426 11.755 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.080 12.375 -6.648 1.00 0.00 H new ATOM 224 N GLU A 16 -11.253 10.582 -5.412 1.00 0.00 N ATOM 225 CA GLU A 16 -12.474 10.249 -4.708 1.00 0.00 C ATOM 226 C GLU A 16 -12.611 8.754 -4.451 1.00 0.00 C ATOM 227 O GLU A 16 -13.293 8.436 -3.488 1.00 0.00 O ATOM 228 CB GLU A 16 -13.619 10.796 -5.553 1.00 0.00 C ATOM 229 CG GLU A 16 -13.619 12.311 -5.761 1.00 0.00 C ATOM 230 CD GLU A 16 -13.680 13.189 -4.527 1.00 0.00 C ATOM 231 OE1 GLU A 16 -14.709 13.131 -3.822 1.00 0.00 O ATOM 232 OE2 GLU A 16 -12.771 14.010 -4.294 1.00 0.00 O1- ATOM 0 H GLU A 16 -11.448 11.112 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.476 10.697 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.590 10.313 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.561 10.511 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.718 12.574 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.469 12.563 -6.395 1.00 0.00 H new ATOM 239 N HIS A 17 -12.064 7.933 -5.349 1.00 0.00 N ATOM 240 CA HIS A 17 -12.488 6.577 -5.614 1.00 0.00 C ATOM 241 C HIS A 17 -11.374 5.556 -5.496 1.00 0.00 C ATOM 242 O HIS A 17 -11.467 4.364 -5.764 1.00 0.00 O ATOM 243 CB HIS A 17 -13.263 6.465 -6.927 1.00 0.00 C ATOM 244 CG HIS A 17 -14.530 7.250 -6.971 1.00 0.00 C ATOM 245 ND1 HIS A 17 -14.847 8.237 -7.886 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 -15.540 7.336 -6.017 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 -16.013 8.881 -7.499 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 -16.382 8.321 -6.347 1.00 0.00 N flip ATOM 0 H HIS A 17 -11.278 8.218 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.185 6.321 -4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.619 6.794 -7.743 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.495 5.415 -7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.630 6.705 -5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.520 9.676 -8.025 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -17.192 8.604 -5.795 1.00 0.00 H new ATOM 256 N SER A 18 -10.259 5.869 -4.808 1.00 0.00 N ATOM 257 CA SER A 18 -9.095 5.043 -4.537 1.00 0.00 C ATOM 258 C SER A 18 -8.442 5.339 -3.200 1.00 0.00 C ATOM 259 O SER A 18 -8.020 6.457 -2.883 1.00 0.00 O ATOM 260 CB SER A 18 -8.027 5.124 -5.616 1.00 0.00 C ATOM 261 OG SER A 18 -7.121 4.041 -5.503 1.00 0.00 O ATOM 0 H SER A 18 -10.154 6.796 -4.395 1.00 0.00 H new ATOM 0 HA SER A 18 -9.505 4.033 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.495 5.112 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.487 6.067 -5.531 1.00 0.00 H new ATOM 0 HG SER A 18 -6.491 4.062 -6.253 1.00 0.00 H new ATOM 267 N TYR A 19 -8.360 4.272 -2.392 1.00 0.00 N ATOM 268 CA TYR A 19 -8.082 4.327 -0.975 1.00 0.00 C ATOM 269 C TYR A 19 -7.593 2.979 -0.484 1.00 0.00 C ATOM 270 O TYR A 19 -7.793 2.024 -1.232 1.00 0.00 O ATOM 271 CB TYR A 19 -9.293 4.738 -0.165 1.00 0.00 C ATOM 272 CG TYR A 19 -9.503 6.234 -0.181 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.519 6.755 -0.985 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.758 7.056 0.674 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.925 8.091 -0.906 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.067 8.424 0.678 1.00 0.00 C ATOM 277 CZ TYR A 19 -10.119 8.934 -0.112 1.00 0.00 C ATOM 278 OH TYR A 19 -10.635 10.148 0.234 1.00 0.00 O ATOM 0 H TYR A 19 -8.492 3.320 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.310 5.083 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.180 4.243 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.173 4.400 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.009 6.103 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.978 6.653 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.802 8.455 -1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.491 9.097 1.295 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.135 10.511 0.995 1.00 0.00 H new ATOM 288 N ALA A 20 -6.768 2.925 0.557 1.00 0.00 N ATOM 289 CA ALA A 20 -6.056 1.716 0.928 1.00 0.00 C ATOM 290 C ALA A 20 -6.219 1.459 2.423 1.00 0.00 C ATOM 291 O ALA A 20 -6.370 2.366 3.237 1.00 0.00 O ATOM 292 CB ALA A 20 -4.609 1.754 0.470 1.00 0.00 C ATOM 0 H ALA A 20 -6.577 3.721 1.165 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.495 0.865 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.109 0.832 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.573 1.854 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.104 2.604 0.929 1.00 0.00 H new ATOM 298 N GLU A 21 -6.127 0.189 2.817 1.00 0.00 N ATOM 299 CA GLU A 21 -6.473 -0.321 4.126 1.00 0.00 C ATOM 300 C GLU A 21 -5.781 -1.648 4.375 1.00 0.00 C ATOM 301 O GLU A 21 -5.494 -2.415 3.462 1.00 0.00 O ATOM 302 CB GLU A 21 -7.949 -0.658 4.258 1.00 0.00 C ATOM 303 CG GLU A 21 -8.489 -1.788 3.401 1.00 0.00 C ATOM 304 CD GLU A 21 -9.999 -1.891 3.566 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.649 -1.923 2.492 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.438 -2.029 4.733 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.790 -0.543 2.192 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.180 0.468 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.146 -0.904 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.521 0.241 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.240 -1.612 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.019 -2.729 3.687 1.00 0.00 H new ATOM 313 N GLY A 22 -5.453 -1.892 5.649 1.00 0.00 N ATOM 314 CA GLY A 22 -4.876 -3.088 6.248 1.00 0.00 C ATOM 315 C GLY A 22 -3.567 -2.929 7.000 1.00 0.00 C ATOM 316 O GLY A 22 -3.027 -1.827 7.155 1.00 0.00 O ATOM 0 H GLY A 22 -5.604 -1.174 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.610 -3.509 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.723 -3.821 5.456 1.00 0.00 H new ATOM 320 N GLU A 23 -3.006 -4.001 7.560 1.00 0.00 N ATOM 321 CA GLU A 23 -1.907 -4.011 8.497 1.00 0.00 C ATOM 322 C GLU A 23 -0.543 -3.471 8.083 1.00 0.00 C ATOM 323 O GLU A 23 0.153 -2.933 8.937 1.00 0.00 O ATOM 324 CB GLU A 23 -1.998 -5.211 9.431 1.00 0.00 C ATOM 325 CG GLU A 23 -1.654 -4.891 10.885 1.00 0.00 C ATOM 326 CD GLU A 23 -1.221 -6.130 11.640 1.00 0.00 C ATOM 327 OE1 GLU A 23 -0.087 -6.627 11.439 1.00 0.00 O ATOM 328 OE2 GLU A 23 -2.063 -6.703 12.372 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.337 -4.943 7.350 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.059 -3.135 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.009 -5.617 9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.326 -5.990 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.857 -4.148 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.521 -4.449 11.376 1.00 0.00 H new ATOM 335 N GLY A 24 -0.141 -3.487 6.808 1.00 0.00 N ATOM 336 CA GLY A 24 0.926 -2.666 6.261 1.00 0.00 C ATOM 337 C GLY A 24 0.786 -1.150 6.312 1.00 0.00 C ATOM 338 O GLY A 24 1.716 -0.456 5.928 1.00 0.00 O ATOM 0 H GLY A 24 -0.569 -4.096 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.846 -2.930 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.059 -2.950 5.217 1.00 0.00 H new ATOM 342 N LEU A 25 -0.330 -0.665 6.870 1.00 0.00 N ATOM 343 CA LEU A 25 -0.532 0.727 7.228 1.00 0.00 C ATOM 344 C LEU A 25 -0.646 0.903 8.732 1.00 0.00 C ATOM 345 O LEU A 25 -0.981 1.977 9.250 1.00 0.00 O ATOM 346 CB LEU A 25 -1.695 1.275 6.402 1.00 0.00 C ATOM 347 CG LEU A 25 -1.540 1.330 4.885 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.708 2.054 4.235 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.259 2.040 4.475 1.00 0.00 C ATOM 0 H LEU A 25 -1.134 -1.254 7.087 1.00 0.00 H new ATOM 0 HA LEU A 25 0.338 1.332 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.575 0.672 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.905 2.286 6.752 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.508 0.295 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.567 2.076 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.636 1.532 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.760 3.074 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.185 2.058 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.271 3.061 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.599 1.510 4.888 1.00 0.00 H new ATOM 361 N VAL A 26 -0.277 -0.118 9.512 1.00 0.00 N ATOM 362 CA VAL A 26 -0.313 -0.040 10.955 1.00 0.00 C ATOM 363 C VAL A 26 0.998 -0.473 11.619 1.00 0.00 C ATOM 364 O VAL A 26 1.497 0.333 12.385 1.00 0.00 O ATOM 365 CB VAL A 26 -1.576 -0.710 11.488 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.701 -0.423 12.982 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.854 -0.398 10.715 1.00 0.00 C ATOM 0 H VAL A 26 0.052 -1.014 9.151 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.384 1.008 11.246 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.458 -1.782 11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.602 -0.899 13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.829 -0.818 13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.762 0.653 13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.693 -0.922 11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.040 0.676 10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.743 -0.725 9.681 1.00 0.00 H new ATOM 377 N LYS A 27 1.517 -1.672 11.365 1.00 0.00 N ATOM 378 CA LYS A 27 2.727 -2.142 12.019 1.00 0.00 C ATOM 379 C LYS A 27 3.512 -3.104 11.133 1.00 0.00 C ATOM 380 O LYS A 27 2.878 -4.015 10.615 1.00 0.00 O ATOM 381 CB LYS A 27 2.268 -2.642 13.390 1.00 0.00 C ATOM 382 CG LYS A 27 1.344 -3.861 13.369 1.00 0.00 C ATOM 383 CD LYS A 27 0.879 -4.232 14.770 1.00 0.00 C ATOM 384 CE LYS A 27 -0.034 -5.450 14.640 1.00 0.00 C ATOM 385 NZ LYS A 27 0.653 -6.643 14.100 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.112 -2.337 10.706 1.00 0.00 H new ATOM 0 HA LYS A 27 3.479 -1.370 12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.150 -2.886 13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.755 -1.828 13.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.478 -3.652 12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.866 -4.707 12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.732 -4.458 15.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.346 -3.400 15.231 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.448 -5.690 15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.873 -5.198 13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.069 -7.487 14.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.801 -6.525 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.573 -6.757 14.572 1.00 0.00 H new ATOM 399 N VAL A 28 4.813 -2.806 10.968 1.00 0.00 N ATOM 400 CA VAL A 28 5.627 -3.346 9.901 1.00 0.00 C ATOM 401 C VAL A 28 7.025 -3.773 10.363 1.00 0.00 C ATOM 402 O VAL A 28 7.643 -2.962 11.053 1.00 0.00 O ATOM 403 CB VAL A 28 5.693 -2.434 8.689 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.504 -3.010 7.526 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.285 -1.973 8.311 1.00 0.00 C ATOM 0 H VAL A 28 5.321 -2.174 11.587 1.00 0.00 H new ATOM 0 HA VAL A 28 5.114 -4.255 9.587 1.00 0.00 H new ATOM 0 HB VAL A 28 6.264 -1.547 8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.505 -2.302 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.529 -3.190 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.056 -3.949 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.338 -1.319 7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.669 -2.841 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.843 -1.430 9.147 1.00 0.00 H new ATOM 415 N PHE A 29 7.475 -4.973 9.991 1.00 0.00 N ATOM 416 CA PHE A 29 8.624 -5.600 10.634 1.00 0.00 C ATOM 417 C PHE A 29 9.692 -6.025 9.632 1.00 0.00 C ATOM 418 O PHE A 29 9.766 -5.585 8.486 1.00 0.00 O ATOM 419 CB PHE A 29 8.149 -6.715 11.554 1.00 0.00 C ATOM 420 CG PHE A 29 6.908 -6.312 12.298 1.00 0.00 C ATOM 421 CD1 PHE A 29 6.980 -5.616 13.507 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.648 -6.626 11.776 1.00 0.00 C ATOM 423 CE1 PHE A 29 5.785 -5.245 14.147 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.439 -6.213 12.349 1.00 0.00 C ATOM 425 CZ PHE A 29 4.547 -5.547 13.577 1.00 0.00 C ATOM 0 H PHE A 29 7.057 -5.529 9.245 1.00 0.00 H new ATOM 0 HA PHE A 29 9.130 -4.864 11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.950 -7.613 10.969 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.937 -6.965 12.264 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.937 -5.367 13.942 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.606 -7.223 10.877 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.825 -4.720 15.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.486 -6.396 11.875 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.646 -5.259 14.098 1.00 0.00 H new ATOM 435 N ASP A 30 10.662 -6.812 10.087 1.00 0.00 N ATOM 436 CA ASP A 30 11.864 -7.043 9.312 1.00 0.00 C ATOM 437 C ASP A 30 11.810 -8.381 8.592 1.00 0.00 C ATOM 438 O ASP A 30 12.091 -8.474 7.400 1.00 0.00 O ATOM 439 CB ASP A 30 13.046 -7.007 10.282 1.00 0.00 C ATOM 440 CG ASP A 30 14.492 -6.901 9.788 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.426 -7.020 10.603 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.765 -6.946 8.571 1.00 0.00 O1- ATOM 0 H ASP A 30 10.635 -7.296 10.985 1.00 0.00 H new ATOM 0 HA ASP A 30 11.966 -6.275 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.879 -6.163 10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.985 -7.911 10.887 1.00 0.00 H new ATOM 447 N ASN A 31 11.615 -9.489 9.296 1.00 0.00 N ATOM 448 CA ASN A 31 11.451 -10.811 8.721 1.00 0.00 C ATOM 449 C ASN A 31 9.979 -11.221 8.658 1.00 0.00 C ATOM 450 O ASN A 31 9.640 -12.344 8.279 1.00 0.00 O ATOM 451 CB ASN A 31 12.281 -11.772 9.553 1.00 0.00 C ATOM 452 CG ASN A 31 13.771 -11.392 9.587 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.533 -11.794 8.702 1.00 0.00 O ATOM 454 ND2 ASN A 31 14.200 -10.491 10.462 1.00 0.00 N ATOM 0 H ASN A 31 11.566 -9.488 10.315 1.00 0.00 H new ATOM 0 HA ASN A 31 11.797 -10.822 7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.892 -11.794 10.571 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.176 -12.779 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.154 -10.135 10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.576 -10.155 11.195 1.00 0.00 H new ATOM 461 N ALA A 32 9.043 -10.320 8.955 1.00 0.00 N ATOM 462 CA ALA A 32 7.633 -10.513 8.690 1.00 0.00 C ATOM 463 C ALA A 32 7.163 -9.390 7.779 1.00 0.00 C ATOM 464 O ALA A 32 6.620 -8.384 8.235 1.00 0.00 O ATOM 465 CB ALA A 32 6.867 -10.598 10.002 1.00 0.00 C ATOM 0 H ALA A 32 9.255 -9.424 9.393 1.00 0.00 H new ATOM 0 HA ALA A 32 7.447 -11.455 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.807 -10.743 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.241 -11.438 10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.004 -9.674 10.564 1.00 0.00 H new ATOM 471 N PRO A 33 7.139 -9.508 6.450 1.00 0.00 N ATOM 472 CA PRO A 33 6.682 -8.523 5.485 1.00 0.00 C ATOM 473 C PRO A 33 5.205 -8.168 5.632 1.00 0.00 C ATOM 474 O PRO A 33 4.371 -9.076 5.574 1.00 0.00 O ATOM 475 CB PRO A 33 6.997 -9.153 4.124 1.00 0.00 C ATOM 476 CG PRO A 33 8.305 -9.912 4.366 1.00 0.00 C ATOM 477 CD PRO A 33 7.910 -10.494 5.719 1.00 0.00 C ATOM 0 HA PRO A 33 7.183 -7.565 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.200 -9.822 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.112 -8.395 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.511 -10.671 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.180 -9.263 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.325 -11.403 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.800 -10.771 6.284 1.00 0.00 H new ATOM 485 N ALA A 34 4.876 -6.887 5.726 1.00 0.00 N ATOM 486 CA ALA A 34 3.545 -6.302 5.820 1.00 0.00 C ATOM 487 C ALA A 34 2.874 -5.885 4.519 1.00 0.00 C ATOM 488 O ALA A 34 3.566 -5.595 3.542 1.00 0.00 O ATOM 489 CB ALA A 34 3.516 -5.149 6.814 1.00 0.00 C ATOM 0 H ALA A 34 5.598 -6.167 5.740 1.00 0.00 H new ATOM 0 HA ALA A 34 2.942 -7.138 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.509 -4.734 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.805 -5.512 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.213 -4.375 6.493 1.00 0.00 H new ATOM 495 N GLU A 35 1.553 -5.932 4.620 1.00 0.00 N ATOM 496 CA GLU A 35 0.703 -5.978 3.434 1.00 0.00 C ATOM 497 C GLU A 35 -0.562 -5.170 3.662 1.00 0.00 C ATOM 498 O GLU A 35 -0.989 -5.024 4.800 1.00 0.00 O ATOM 499 CB GLU A 35 0.353 -7.437 3.146 1.00 0.00 C ATOM 500 CG GLU A 35 1.466 -8.300 2.574 1.00 0.00 C ATOM 501 CD GLU A 35 0.776 -9.528 2.000 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.970 -10.607 2.612 1.00 0.00 O ATOM 503 OE2 GLU A 35 0.061 -9.384 0.983 1.00 0.00 O1- ATOM 0 H GLU A 35 1.047 -5.939 5.505 1.00 0.00 H new ATOM 0 HA GLU A 35 1.231 -5.548 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.008 -7.895 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.486 -7.456 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.020 -7.765 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.183 -8.578 3.346 1.00 0.00 H new ATOM 510 N PHE A 36 -1.098 -4.586 2.590 1.00 0.00 N ATOM 511 CA PHE A 36 -2.289 -3.753 2.595 1.00 0.00 C ATOM 512 C PHE A 36 -2.674 -3.551 1.141 1.00 0.00 C ATOM 513 O PHE A 36 -1.912 -3.882 0.234 1.00 0.00 O ATOM 514 CB PHE A 36 -2.067 -2.472 3.388 1.00 0.00 C ATOM 515 CG PHE A 36 -1.254 -1.464 2.619 1.00 0.00 C ATOM 516 CD1 PHE A 36 -1.922 -0.417 1.954 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.139 -1.499 2.737 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.116 0.507 1.288 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.898 -0.625 1.946 1.00 0.00 C ATOM 520 CZ PHE A 36 0.277 0.425 1.260 1.00 0.00 C ATOM 0 H PHE A 36 -0.694 -4.688 1.659 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.125 -4.224 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.031 -2.036 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.560 -2.708 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.999 -0.334 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.619 -2.183 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.593 1.325 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.966 -0.763 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.862 1.155 0.721 1.00 0.00 H new ATOM 530 N THR A 37 -3.908 -3.066 1.035 1.00 0.00 N ATOM 531 CA THR A 37 -4.784 -3.210 -0.109 1.00 0.00 C ATOM 532 C THR A 37 -5.472 -1.918 -0.535 1.00 0.00 C ATOM 533 O THR A 37 -6.207 -1.262 0.200 1.00 0.00 O ATOM 534 CB THR A 37 -5.837 -4.289 0.150 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.249 -5.518 0.492 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.841 -4.563 -0.968 1.00 0.00 C ATOM 0 H THR A 37 -4.341 -2.534 1.790 1.00 0.00 H new ATOM 0 HA THR A 37 -4.135 -3.503 -0.934 1.00 0.00 H new ATOM 0 HB THR A 37 -6.400 -3.852 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.951 -6.183 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.529 -5.348 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.402 -3.654 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.309 -4.883 -1.864 1.00 0.00 H new ATOM 544 N ILE A 38 -5.250 -1.544 -1.798 1.00 0.00 N ATOM 545 CA ILE A 38 -5.808 -0.390 -2.489 1.00 0.00 C ATOM 546 C ILE A 38 -7.142 -0.848 -3.036 1.00 0.00 C ATOM 547 O ILE A 38 -7.080 -1.476 -4.085 1.00 0.00 O ATOM 548 CB ILE A 38 -4.852 0.198 -3.513 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.371 0.205 -3.155 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.343 1.552 -4.011 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.285 0.741 -4.093 1.00 0.00 C ATOM 0 H ILE A 38 -4.630 -2.082 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.964 0.456 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.881 -0.517 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.281 0.767 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.103 -0.827 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.639 1.948 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.322 1.435 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.420 2.242 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.310 0.639 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.295 0.173 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.476 1.793 -4.307 1.00 0.00 H new ATOM 563 N PHE A 39 -8.284 -0.516 -2.402 1.00 0.00 N ATOM 564 CA PHE A 39 -9.605 -0.563 -2.989 1.00 0.00 C ATOM 565 C PHE A 39 -9.853 0.576 -3.965 1.00 0.00 C ATOM 566 O PHE A 39 -9.818 1.736 -3.578 1.00 0.00 O ATOM 567 CB PHE A 39 -10.671 -0.658 -1.909 1.00 0.00 C ATOM 568 CG PHE A 39 -10.685 0.425 -0.845 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.689 1.400 -0.869 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.804 0.386 0.236 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.833 2.320 0.181 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.942 1.319 1.268 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.993 2.245 1.308 1.00 0.00 C ATOM 0 H PHE A 39 -8.294 -0.198 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.667 -1.472 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.646 -0.663 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.559 -1.620 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.365 1.445 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.022 -0.358 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.590 3.088 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.212 1.326 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.152 2.876 2.170 1.00 0.00 H new ATOM 583 N ALA A 40 -9.971 0.190 -5.247 1.00 0.00 N ATOM 584 CA ALA A 40 -10.213 1.059 -6.384 1.00 0.00 C ATOM 585 C ALA A 40 -11.640 1.065 -6.903 1.00 0.00 C ATOM 586 O ALA A 40 -12.199 0.010 -7.161 1.00 0.00 O ATOM 587 CB ALA A 40 -9.137 0.884 -7.470 1.00 0.00 C ATOM 0 H ALA A 40 -9.894 -0.790 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.107 2.075 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.351 1.551 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.158 1.126 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.138 -0.148 -7.820 1.00 0.00 H new ATOM 593 N VAL A 41 -12.235 2.219 -7.201 1.00 0.00 N ATOM 594 CA VAL A 41 -13.413 2.496 -8.000 1.00 0.00 C ATOM 595 C VAL A 41 -13.049 3.509 -9.088 1.00 0.00 C ATOM 596 O VAL A 41 -12.124 4.308 -8.891 1.00 0.00 O ATOM 597 CB VAL A 41 -14.631 2.886 -7.180 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.727 3.652 -7.930 1.00 0.00 C ATOM 599 CG2 VAL A 41 -15.298 1.757 -6.386 1.00 0.00 C ATOM 0 H VAL A 41 -11.846 3.089 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.729 1.571 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.151 3.566 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.546 3.877 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.317 4.582 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.099 3.042 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -16.155 2.153 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.633 0.978 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.582 1.336 -5.681 1.00 0.00 H new ATOM 609 N ASP A 42 -13.668 3.499 -10.270 1.00 0.00 N ATOM 610 CA ASP A 42 -13.430 4.532 -11.246 1.00 0.00 C ATOM 611 C ASP A 42 -14.121 5.838 -10.875 1.00 0.00 C ATOM 612 O ASP A 42 -13.484 6.867 -10.590 1.00 0.00 O ATOM 613 CB ASP A 42 -13.842 4.131 -12.660 1.00 0.00 C ATOM 614 CG ASP A 42 -15.088 3.256 -12.743 1.00 0.00 C ATOM 615 OD1 ASP A 42 -16.068 3.379 -11.963 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.169 2.492 -13.729 1.00 0.00 O1- ATOM 0 H ASP A 42 -14.334 2.784 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.350 4.681 -11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -14.012 5.036 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.012 3.601 -13.128 1.00 0.00 H new ATOM 621 N THR A 43 -15.446 5.751 -10.819 1.00 0.00 N ATOM 622 CA THR A 43 -16.498 6.732 -10.626 1.00 0.00 C ATOM 623 C THR A 43 -17.847 6.043 -10.503 1.00 0.00 C ATOM 624 O THR A 43 -18.752 6.620 -9.927 1.00 0.00 O ATOM 625 CB THR A 43 -16.707 7.749 -11.740 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.662 7.130 -13.004 1.00 0.00 O ATOM 627 CG2 THR A 43 -15.736 8.934 -11.825 1.00 0.00 C ATOM 0 H THR A 43 -15.870 4.830 -10.927 1.00 0.00 H new ATOM 0 HA THR A 43 -16.156 7.257 -9.734 1.00 0.00 H new ATOM 0 HB THR A 43 -17.682 8.156 -11.471 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.640 7.816 -13.704 1.00 0.00 H new ATOM 0 HG21 THR A 43 -16.011 9.570 -12.666 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.785 9.512 -10.902 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.721 8.563 -11.967 1.00 0.00 H new ATOM 635 N LYS A 44 -18.096 4.843 -11.046 1.00 0.00 N ATOM 636 CA LYS A 44 -19.415 4.270 -11.189 1.00 0.00 C ATOM 637 C LYS A 44 -19.784 3.369 -10.018 1.00 0.00 C ATOM 638 O LYS A 44 -20.458 2.367 -10.206 1.00 0.00 O ATOM 639 CB LYS A 44 -19.624 3.532 -12.510 1.00 0.00 C ATOM 640 CG LYS A 44 -19.181 4.410 -13.676 1.00 0.00 C ATOM 641 CD LYS A 44 -20.068 5.628 -13.920 1.00 0.00 C ATOM 642 CE LYS A 44 -19.447 6.502 -14.998 1.00 0.00 C ATOM 643 NZ LYS A 44 -20.407 7.582 -15.260 1.00 0.00 N1+ ATOM 0 H LYS A 44 -17.356 4.239 -11.403 1.00 0.00 H new ATOM 0 HA LYS A 44 -20.089 5.127 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.057 2.601 -12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.675 3.265 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.161 4.749 -13.493 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.158 3.805 -14.582 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.065 5.310 -14.225 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.184 6.197 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.490 6.905 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.255 5.925 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.028 8.213 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.308 7.175 -15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.566 8.124 -14.387 1.00 0.00 H new ATOM 657 N GLY A 45 -19.240 3.588 -8.815 1.00 0.00 N ATOM 658 CA GLY A 45 -19.536 2.824 -7.626 1.00 0.00 C ATOM 659 C GLY A 45 -19.235 1.338 -7.488 1.00 0.00 C ATOM 660 O GLY A 45 -18.776 0.954 -6.416 1.00 0.00 O ATOM 0 H GLY A 45 -18.560 4.330 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.018 3.320 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.605 2.939 -7.445 1.00 0.00 H new ATOM 664 N VAL A 46 -19.300 0.553 -8.575 1.00 0.00 N ATOM 665 CA VAL A 46 -18.765 -0.786 -8.552 1.00 0.00 C ATOM 666 C VAL A 46 -17.233 -0.794 -8.696 1.00 0.00 C ATOM 667 O VAL A 46 -16.728 0.048 -9.430 1.00 0.00 O ATOM 668 CB VAL A 46 -19.435 -1.585 -9.673 1.00 0.00 C ATOM 669 CG1 VAL A 46 -19.040 -3.031 -9.934 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.928 -1.692 -9.473 1.00 0.00 C ATOM 0 H VAL A 46 -19.716 0.833 -9.463 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.979 -1.246 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.083 -0.982 -10.510 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.625 -3.423 -10.766 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.980 -3.080 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.232 -3.627 -9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.364 -2.266 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.133 -2.193 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.365 -0.694 -9.457 1.00 0.00 H new ATOM 680 N ALA A 47 -16.555 -1.638 -7.931 1.00 0.00 N ATOM 681 CA ALA A 47 -15.107 -1.753 -7.893 1.00 0.00 C ATOM 682 C ALA A 47 -14.476 -1.907 -9.271 1.00 0.00 C ATOM 683 O ALA A 47 -15.193 -2.317 -10.183 1.00 0.00 O ATOM 684 CB ALA A 47 -14.754 -2.993 -7.068 1.00 0.00 C ATOM 0 H ALA A 47 -17.019 -2.287 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.718 -0.832 -7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.671 -3.104 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.150 -2.883 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.190 -3.877 -7.534 1.00 0.00 H new ATOM 690 N ARG A 48 -13.157 -1.767 -9.467 1.00 0.00 N ATOM 691 CA ARG A 48 -12.561 -1.755 -10.790 1.00 0.00 C ATOM 692 C ARG A 48 -12.766 -3.054 -11.547 1.00 0.00 C ATOM 693 O ARG A 48 -12.368 -4.088 -11.036 1.00 0.00 O ATOM 694 CB ARG A 48 -11.092 -1.372 -10.696 1.00 0.00 C ATOM 695 CG ARG A 48 -10.880 0.136 -10.613 1.00 0.00 C ATOM 696 CD ARG A 48 -11.112 0.899 -11.921 1.00 0.00 C ATOM 697 NE ARG A 48 -10.257 0.593 -13.054 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.578 0.103 -14.258 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.786 -0.346 -14.653 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.564 -0.164 -15.087 1.00 0.00 N ATOM 0 H ARG A 48 -12.484 -1.660 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.080 -0.997 -11.377 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.653 -1.845 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.563 -1.762 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.548 0.540 -9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.861 0.326 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.144 0.729 -12.227 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.014 1.963 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.264 0.779 -12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.572 -0.333 -14.004 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.914 -0.699 -15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.603 0.007 -14.790 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.751 -0.539 -16.017 1.00 0.00 H new ATOM 714 N THR A 49 -13.382 -2.978 -12.738 1.00 0.00 N ATOM 715 CA THR A 49 -13.998 -4.087 -13.428 1.00 0.00 C ATOM 716 C THR A 49 -13.128 -4.661 -14.536 1.00 0.00 C ATOM 717 O THR A 49 -13.446 -5.532 -15.346 1.00 0.00 O ATOM 718 CB THR A 49 -15.356 -3.757 -14.060 1.00 0.00 C ATOM 719 OG1 THR A 49 -15.292 -2.786 -15.075 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.328 -3.098 -13.096 1.00 0.00 C ATOM 0 H THR A 49 -13.459 -2.101 -13.254 1.00 0.00 H new ATOM 0 HA THR A 49 -14.134 -4.817 -12.630 1.00 0.00 H new ATOM 0 HB THR A 49 -15.671 -4.740 -14.411 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.190 -2.627 -15.433 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.267 -2.893 -13.610 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.513 -3.765 -12.254 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.902 -2.163 -12.732 1.00 0.00 H new ATOM 728 N ASP A 50 -11.849 -4.282 -14.549 1.00 0.00 N ATOM 729 CA ASP A 50 -10.673 -4.866 -15.164 1.00 0.00 C ATOM 730 C ASP A 50 -9.424 -4.340 -14.474 1.00 0.00 C ATOM 731 O ASP A 50 -9.491 -3.328 -13.777 1.00 0.00 O ATOM 732 CB ASP A 50 -10.742 -4.652 -16.669 1.00 0.00 C ATOM 733 CG ASP A 50 -11.164 -3.313 -17.249 1.00 0.00 C ATOM 734 OD1 ASP A 50 -11.718 -3.368 -18.365 1.00 0.00 O ATOM 735 OD2 ASP A 50 -10.762 -2.256 -16.700 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.586 -3.431 -14.052 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.630 -5.947 -15.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.753 -4.876 -17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.425 -5.402 -17.067 1.00 0.00 H new ATOM 740 N GLY A 51 -8.235 -4.845 -14.841 1.00 0.00 N ATOM 741 CA GLY A 51 -7.031 -4.800 -14.041 1.00 0.00 C ATOM 742 C GLY A 51 -5.762 -4.243 -14.658 1.00 0.00 C ATOM 743 O GLY A 51 -5.811 -3.740 -15.776 1.00 0.00 O ATOM 0 H GLY A 51 -8.096 -5.310 -15.738 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.249 -4.212 -13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.818 -5.816 -13.709 1.00 0.00 H new ATOM 747 N GLY A 52 -4.614 -4.216 -13.955 1.00 0.00 N ATOM 748 CA GLY A 52 -3.330 -3.853 -14.512 1.00 0.00 C ATOM 749 C GLY A 52 -3.201 -2.339 -14.619 1.00 0.00 C ATOM 750 O GLY A 52 -2.356 -1.964 -15.426 1.00 0.00 O ATOM 0 H GLY A 52 -4.570 -4.454 -12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.531 -4.248 -13.885 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.214 -4.304 -15.498 1.00 0.00 H new ATOM 754 N ASP A 53 -3.935 -1.480 -13.911 1.00 0.00 N ATOM 755 CA ASP A 53 -3.745 -0.051 -13.810 1.00 0.00 C ATOM 756 C ASP A 53 -2.498 0.326 -13.019 1.00 0.00 C ATOM 757 O ASP A 53 -2.165 -0.318 -12.032 1.00 0.00 O ATOM 758 CB ASP A 53 -4.947 0.670 -13.233 1.00 0.00 C ATOM 759 CG ASP A 53 -6.295 0.224 -13.793 1.00 0.00 C ATOM 760 OD1 ASP A 53 -6.349 0.147 -15.041 1.00 0.00 O ATOM 761 OD2 ASP A 53 -7.332 0.227 -13.114 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.731 -1.797 -13.358 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.613 0.279 -14.840 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.954 0.527 -12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.831 1.739 -13.412 1.00 0.00 H new ATOM 766 N PRO A 54 -1.782 1.412 -13.342 1.00 0.00 N ATOM 767 CA PRO A 54 -0.577 1.771 -12.636 1.00 0.00 C ATOM 768 C PRO A 54 -0.736 2.403 -11.256 1.00 0.00 C ATOM 769 O PRO A 54 -1.334 3.464 -11.113 1.00 0.00 O ATOM 770 CB PRO A 54 0.182 2.689 -13.589 1.00 0.00 C ATOM 771 CG PRO A 54 -0.975 3.402 -14.304 1.00 0.00 C ATOM 772 CD PRO A 54 -2.051 2.332 -14.431 1.00 0.00 C ATOM 0 HA PRO A 54 -0.047 0.852 -12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.830 3.387 -13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.813 2.132 -14.282 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.330 4.258 -13.731 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.669 3.777 -15.281 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.049 2.762 -14.349 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.998 1.829 -15.397 1.00 0.00 H new ATOM 780 N PHE A 55 -0.193 1.744 -10.236 1.00 0.00 N ATOM 781 CA PHE A 55 -0.014 2.247 -8.895 1.00 0.00 C ATOM 782 C PHE A 55 1.369 2.057 -8.294 1.00 0.00 C ATOM 783 O PHE A 55 2.253 1.377 -8.806 1.00 0.00 O ATOM 784 CB PHE A 55 -1.079 1.542 -8.038 1.00 0.00 C ATOM 785 CG PHE A 55 -2.465 2.159 -8.010 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.867 2.991 -6.963 1.00 0.00 C ATOM 787 CD2 PHE A 55 -3.343 1.783 -9.031 1.00 0.00 C ATOM 788 CE1 PHE A 55 -4.164 3.507 -6.882 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.662 2.259 -8.979 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.978 3.187 -7.976 1.00 0.00 C ATOM 0 H PHE A 55 0.151 0.789 -10.339 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.123 3.331 -8.922 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.173 0.516 -8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.710 1.493 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.154 3.244 -6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.015 1.144 -9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.508 4.101 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.407 1.923 -9.685 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.927 3.697 -8.054 1.00 0.00 H new ATOM 800 N GLU A 56 1.580 2.792 -7.204 1.00 0.00 N ATOM 801 CA GLU A 56 2.858 2.936 -6.525 1.00 0.00 C ATOM 802 C GLU A 56 2.645 3.430 -5.102 1.00 0.00 C ATOM 803 O GLU A 56 1.619 4.051 -4.807 1.00 0.00 O ATOM 804 CB GLU A 56 3.764 3.872 -7.323 1.00 0.00 C ATOM 805 CG GLU A 56 4.989 4.352 -6.559 1.00 0.00 C ATOM 806 CD GLU A 56 6.029 4.843 -7.552 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.571 4.076 -8.390 1.00 0.00 O ATOM 808 OE2 GLU A 56 6.226 6.071 -7.743 1.00 0.00 O1- ATOM 0 H GLU A 56 0.834 3.323 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 56 3.351 1.966 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.091 3.359 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.184 4.739 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.715 5.154 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.398 3.542 -5.955 1.00 0.00 H new ATOM 815 N VAL A 57 3.527 2.977 -4.211 1.00 0.00 N ATOM 816 CA VAL A 57 3.628 3.314 -2.806 1.00 0.00 C ATOM 817 C VAL A 57 5.087 3.660 -2.541 1.00 0.00 C ATOM 818 O VAL A 57 5.986 2.860 -2.706 1.00 0.00 O ATOM 819 CB VAL A 57 3.102 2.238 -1.868 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.779 2.915 -0.530 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.775 1.617 -2.328 1.00 0.00 C ATOM 0 H VAL A 57 4.247 2.308 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 57 2.981 4.164 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 57 3.864 1.460 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.398 2.172 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.684 3.367 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.026 3.687 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.461 0.858 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.013 2.394 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.908 1.158 -3.307 1.00 0.00 H new ATOM 831 N ALA A 58 5.270 4.881 -2.018 1.00 0.00 N ATOM 832 CA ALA A 58 6.556 5.515 -1.868 1.00 0.00 C ATOM 833 C ALA A 58 6.781 5.840 -0.396 1.00 0.00 C ATOM 834 O ALA A 58 5.892 6.315 0.301 1.00 0.00 O ATOM 835 CB ALA A 58 6.578 6.653 -2.878 1.00 0.00 C ATOM 0 H ALA A 58 4.497 5.457 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 58 7.422 4.896 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.532 7.177 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.451 6.250 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.767 7.348 -2.661 1.00 0.00 H new ATOM 841 N ILE A 59 7.976 5.461 0.087 1.00 0.00 N ATOM 842 CA ILE A 59 8.286 5.340 1.495 1.00 0.00 C ATOM 843 C ILE A 59 9.615 6.055 1.702 1.00 0.00 C ATOM 844 O ILE A 59 10.559 5.878 0.925 1.00 0.00 O ATOM 845 CB ILE A 59 8.225 3.892 1.987 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.990 3.042 1.671 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.550 3.864 3.470 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.915 2.402 0.283 1.00 0.00 C ATOM 0 H ILE A 59 8.763 5.228 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 59 7.534 5.818 2.122 1.00 0.00 H new ATOM 0 HB ILE A 59 8.974 3.386 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.929 2.246 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.107 3.668 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.510 2.837 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.550 4.266 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.824 4.469 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.991 1.830 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.933 3.182 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.768 1.738 0.142 1.00 0.00 H new ATOM 860 N ASN A 60 9.619 6.888 2.750 1.00 0.00 N ATOM 861 CA ASN A 60 10.805 7.207 3.506 1.00 0.00 C ATOM 862 C ASN A 60 10.641 6.643 4.915 1.00 0.00 C ATOM 863 O ASN A 60 9.675 6.932 5.605 1.00 0.00 O ATOM 864 CB ASN A 60 10.992 8.721 3.440 1.00 0.00 C ATOM 865 CG ASN A 60 11.475 9.211 2.082 1.00 0.00 C ATOM 866 OD1 ASN A 60 10.752 9.867 1.328 1.00 0.00 O ATOM 867 ND2 ASN A 60 12.727 9.001 1.685 1.00 0.00 N ATOM 0 H ASN A 60 8.780 7.358 3.090 1.00 0.00 H new ATOM 0 HA ASN A 60 11.713 6.756 3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.046 9.207 3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.708 9.025 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.049 9.377 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.365 8.464 2.273 1.00 0.00 H new ATOM 874 N GLY A 61 11.652 5.898 5.396 1.00 0.00 N ATOM 875 CA GLY A 61 11.992 5.765 6.801 1.00 0.00 C ATOM 876 C GLY A 61 13.110 6.717 7.190 1.00 0.00 C ATOM 877 O GLY A 61 13.501 7.635 6.467 1.00 0.00 O ATOM 0 H GLY A 61 12.268 5.359 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.111 5.966 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.296 4.739 7.008 1.00 0.00 H new ATOM 881 N PRO A 62 13.733 6.476 8.345 1.00 0.00 N ATOM 882 CA PRO A 62 14.859 7.251 8.823 1.00 0.00 C ATOM 883 C PRO A 62 16.153 7.219 8.020 1.00 0.00 C ATOM 884 O PRO A 62 16.625 6.142 7.655 1.00 0.00 O ATOM 885 CB PRO A 62 14.975 6.898 10.304 1.00 0.00 C ATOM 886 CG PRO A 62 14.492 5.449 10.389 1.00 0.00 C ATOM 887 CD PRO A 62 13.382 5.470 9.330 1.00 0.00 C ATOM 0 HA PRO A 62 14.660 8.312 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.002 6.996 10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.363 7.558 10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.279 4.734 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.117 5.193 11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.283 4.492 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.420 5.702 9.788 1.00 0.00 H new ATOM 933 N VAL A 66 15.364 5.319 2.079 1.00 0.00 N ATOM 934 CA VAL A 66 14.453 5.394 0.954 1.00 0.00 C ATOM 935 C VAL A 66 13.976 3.981 0.653 1.00 0.00 C ATOM 936 O VAL A 66 14.851 3.121 0.499 1.00 0.00 O ATOM 937 CB VAL A 66 15.100 6.076 -0.239 1.00 0.00 C ATOM 938 CG1 VAL A 66 14.192 6.051 -1.461 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.543 7.517 -0.013 1.00 0.00 C ATOM 0 HA VAL A 66 13.589 6.014 1.196 1.00 0.00 H new ATOM 0 HB VAL A 66 16.001 5.485 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.689 6.548 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.975 5.018 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.261 6.569 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.991 7.907 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.679 8.125 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.276 7.550 0.793 1.00 0.00 H new ATOM 949 N VAL A 67 12.670 3.718 0.558 1.00 0.00 N ATOM 950 CA VAL A 67 12.076 2.405 0.409 1.00 0.00 C ATOM 951 C VAL A 67 10.993 2.470 -0.658 1.00 0.00 C ATOM 952 O VAL A 67 10.359 3.511 -0.817 1.00 0.00 O ATOM 953 CB VAL A 67 11.539 1.961 1.764 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.847 0.600 1.663 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.685 1.665 2.727 1.00 0.00 C ATOM 0 H VAL A 67 11.970 4.460 0.585 1.00 0.00 H new ATOM 0 HA VAL A 67 12.809 1.668 0.083 1.00 0.00 H new ATOM 0 HB VAL A 67 10.879 2.764 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.474 0.308 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.014 0.666 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.560 -0.145 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.280 1.350 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.308 0.870 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.287 2.564 2.864 1.00 0.00 H new ATOM 965 N ASP A 68 10.845 1.409 -1.454 1.00 0.00 N ATOM 966 CA ASP A 68 9.829 1.242 -2.466 1.00 0.00 C ATOM 967 C ASP A 68 9.128 -0.106 -2.301 1.00 0.00 C ATOM 968 O ASP A 68 9.869 -1.083 -2.273 1.00 0.00 O ATOM 969 CB ASP A 68 10.379 1.667 -3.814 1.00 0.00 C ATOM 970 CG ASP A 68 9.320 1.782 -4.897 1.00 0.00 C ATOM 971 OD1 ASP A 68 8.146 2.084 -4.599 1.00 0.00 O ATOM 972 OD2 ASP A 68 9.592 1.463 -6.066 1.00 0.00 O1- ATOM 0 H ASP A 68 11.471 0.606 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 68 8.982 1.919 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.880 2.629 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.134 0.948 -4.131 1.00 0.00 H new ATOM 977 N ALA A 69 7.806 -0.140 -2.200 1.00 0.00 N ATOM 978 CA ALA A 69 6.989 -1.347 -2.116 1.00 0.00 C ATOM 979 C ALA A 69 6.626 -1.958 -3.453 1.00 0.00 C ATOM 980 O ALA A 69 6.598 -1.290 -4.490 1.00 0.00 O ATOM 981 CB ALA A 69 5.764 -1.061 -1.263 1.00 0.00 C ATOM 0 H ALA A 69 7.246 0.712 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 69 7.599 -2.114 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.149 -1.959 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.079 -0.762 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.184 -0.257 -1.717 1.00 0.00 H new ATOM 987 N LYS A 70 6.212 -3.226 -3.420 1.00 0.00 N ATOM 988 CA LYS A 70 5.872 -3.972 -4.611 1.00 0.00 C ATOM 989 C LYS A 70 4.335 -4.001 -4.643 1.00 0.00 C ATOM 990 O LYS A 70 3.781 -4.499 -3.661 1.00 0.00 O ATOM 991 CB LYS A 70 6.579 -5.315 -4.658 1.00 0.00 C ATOM 992 CG LYS A 70 6.017 -6.137 -5.821 1.00 0.00 C ATOM 993 CD LYS A 70 6.288 -7.626 -5.679 1.00 0.00 C ATOM 994 CE LYS A 70 5.650 -8.282 -6.912 1.00 0.00 C ATOM 995 NZ LYS A 70 5.535 -9.738 -6.814 1.00 0.00 N1+ ATOM 0 H LYS A 70 6.106 -3.758 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 70 6.228 -3.510 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.652 -5.171 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.437 -5.848 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.941 -5.974 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.453 -5.781 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.358 -7.827 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.855 -8.017 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.658 -7.858 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.242 -8.032 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.096 -10.111 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.481 -10.154 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.946 -9.985 -5.994 1.00 0.00 H new ATOM 1009 N VAL A 71 3.781 -3.507 -5.746 1.00 0.00 N ATOM 1010 CA VAL A 71 2.349 -3.366 -5.925 1.00 0.00 C ATOM 1011 C VAL A 71 1.821 -4.503 -6.777 1.00 0.00 C ATOM 1012 O VAL A 71 2.439 -4.869 -7.773 1.00 0.00 O ATOM 1013 CB VAL A 71 2.064 -1.995 -6.521 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.665 -1.820 -7.104 1.00 0.00 C ATOM 1015 CG2 VAL A 71 2.322 -0.801 -5.612 1.00 0.00 C ATOM 0 H VAL A 71 4.326 -3.191 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 71 1.829 -3.428 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 71 2.804 -1.992 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.561 -0.811 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.511 -2.544 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.078 -1.979 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.084 0.120 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.696 -0.879 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.371 -0.788 -5.317 1.00 0.00 H new ATOM 1025 N THR A 72 0.681 -5.144 -6.474 1.00 0.00 N ATOM 1026 CA THR A 72 0.169 -6.238 -7.268 1.00 0.00 C ATOM 1027 C THR A 72 -1.335 -6.044 -7.491 1.00 0.00 C ATOM 1028 O THR A 72 -2.092 -5.761 -6.574 1.00 0.00 O ATOM 1029 CB THR A 72 0.556 -7.633 -6.807 1.00 0.00 C ATOM 1030 OG1 THR A 72 1.933 -7.840 -6.685 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.081 -8.744 -7.756 1.00 0.00 C ATOM 0 H THR A 72 0.100 -4.908 -5.670 1.00 0.00 H new ATOM 0 HA THR A 72 0.676 -6.191 -8.232 1.00 0.00 H new ATOM 0 HB THR A 72 0.065 -7.688 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.100 -8.757 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.392 -9.713 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.006 -8.716 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.520 -8.592 -8.742 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.812 -6.273 -8.718 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.224 -6.451 -8.984 1.00 0.00 C ATOM 1041 C ASP A 73 -3.786 -7.670 -8.278 1.00 0.00 C ATOM 1042 O ASP A 73 -3.329 -8.777 -8.560 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.483 -6.405 -10.494 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.933 -6.405 -10.973 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.882 -6.766 -10.237 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -5.130 -6.084 -12.158 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.222 -6.338 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.781 -5.619 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.001 -5.510 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.982 -7.262 -10.945 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.831 -7.528 -7.454 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.517 -8.644 -6.831 1.00 0.00 C ATOM 1053 C ASN A 74 -6.600 -9.295 -7.678 1.00 0.00 C ATOM 1054 O ASN A 74 -6.919 -10.432 -7.370 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.155 -8.315 -5.477 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.161 -7.956 -4.378 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.074 -8.512 -4.271 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.415 -6.956 -3.528 1.00 0.00 N ATOM 0 H ASN A 74 -5.222 -6.619 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.692 -9.344 -6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.847 -7.483 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.744 -9.172 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.719 -6.689 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.305 -6.460 -3.575 1.00 0.00 H new ATOM 1065 N ASN A 75 -7.022 -8.728 -8.817 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.940 -9.397 -9.717 1.00 0.00 C ATOM 1067 C ASN A 75 -9.379 -9.437 -9.210 1.00 0.00 C ATOM 1068 O ASN A 75 -10.040 -10.402 -9.554 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.412 -10.689 -10.331 1.00 0.00 C ATOM 1070 CG ASN A 75 -5.920 -10.648 -10.639 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.196 -11.618 -10.400 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.438 -9.596 -11.295 1.00 0.00 N ATOM 0 H ASN A 75 -6.733 -7.801 -9.128 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.998 -8.745 -10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.612 -11.515 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.960 -10.896 -11.251 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.466 -9.589 -11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.041 -8.797 -11.490 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.832 -8.371 -8.551 1.00 0.00 N ATOM 1080 CA ASP A 76 -11.064 -8.321 -7.789 1.00 0.00 C ATOM 1081 C ASP A 76 -11.667 -6.933 -7.648 1.00 0.00 C ATOM 1082 O ASP A 76 -12.786 -6.879 -7.134 1.00 0.00 O ATOM 1083 CB ASP A 76 -10.763 -8.939 -6.426 1.00 0.00 C ATOM 1084 CG ASP A 76 -9.588 -8.404 -5.631 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.279 -7.204 -5.844 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.083 -9.127 -4.750 1.00 0.00 O1- ATOM 0 H ASP A 76 -9.325 -7.486 -8.537 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.829 -8.878 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.656 -8.833 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.604 -10.007 -6.575 1.00 0.00 H new ATOM 1091 N GLY A 77 -11.016 -5.826 -7.990 1.00 0.00 N ATOM 1092 CA GLY A 77 -11.287 -4.480 -7.509 1.00 0.00 C ATOM 1093 C GLY A 77 -10.046 -3.744 -7.024 1.00 0.00 C ATOM 1094 O GLY A 77 -9.998 -2.515 -6.955 1.00 0.00 O ATOM 0 H GLY A 77 -10.239 -5.848 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.751 -3.904 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.009 -4.533 -6.694 1.00 0.00 H new ATOM 1098 N THR A 78 -9.041 -4.522 -6.597 1.00 0.00 N ATOM 1099 CA THR A 78 -8.039 -4.008 -5.687 1.00 0.00 C ATOM 1100 C THR A 78 -6.582 -4.352 -5.952 1.00 0.00 C ATOM 1101 O THR A 78 -6.310 -5.102 -6.886 1.00 0.00 O ATOM 1102 CB THR A 78 -8.494 -4.319 -4.263 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.094 -5.643 -3.999 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.962 -4.184 -3.854 1.00 0.00 C ATOM 0 H THR A 78 -8.911 -5.496 -6.870 1.00 0.00 H new ATOM 0 HA THR A 78 -7.996 -2.933 -5.865 1.00 0.00 H new ATOM 0 HB THR A 78 -8.031 -3.524 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.580 -6.256 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.073 -4.451 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.288 -3.155 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.572 -4.850 -4.464 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.636 -3.751 -5.222 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.222 -3.833 -5.442 1.00 0.00 C ATOM 1114 C TYR A 79 -3.511 -4.045 -4.109 1.00 0.00 C ATOM 1115 O TYR A 79 -3.500 -3.208 -3.205 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.737 -2.579 -6.168 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.179 -2.523 -7.614 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.265 -2.723 -8.643 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.536 -2.337 -7.931 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.731 -2.758 -9.961 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.985 -2.344 -9.255 1.00 0.00 C ATOM 1122 CZ TYR A 79 -5.061 -2.466 -10.314 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.506 -2.448 -11.605 1.00 0.00 O ATOM 0 H TYR A 79 -5.870 -3.165 -4.420 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.988 -4.686 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.109 -1.697 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.649 -2.539 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.214 -2.849 -8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.248 -2.185 -7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.037 -3.022 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.040 -2.256 -9.467 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.460 -2.224 -11.619 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.897 -5.224 -3.955 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.110 -5.555 -2.781 1.00 0.00 C ATOM 1135 C GLY A 80 -0.670 -5.091 -2.891 1.00 0.00 C ATOM 1136 O GLY A 80 -0.058 -4.986 -3.952 1.00 0.00 O ATOM 0 H GLY A 80 -2.937 -5.971 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.568 -5.101 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.129 -6.634 -2.628 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.107 -4.712 -1.743 1.00 0.00 N ATOM 1141 CA VAL A 81 1.140 -4.006 -1.551 1.00 0.00 C ATOM 1142 C VAL A 81 1.907 -4.654 -0.401 1.00 0.00 C ATOM 1143 O VAL A 81 1.289 -4.832 0.654 1.00 0.00 O ATOM 1144 CB VAL A 81 1.062 -2.507 -1.250 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.424 -1.828 -1.174 1.00 0.00 C ATOM 1146 CG2 VAL A 81 0.169 -1.825 -2.290 1.00 0.00 C ATOM 0 H VAL A 81 -0.560 -4.914 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 81 1.629 -4.085 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 81 0.627 -2.401 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.291 -0.768 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.016 -2.288 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.941 -1.942 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.112 -0.758 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.589 -1.975 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.831 -2.256 -2.250 1.00 0.00 H new ATOM 1156 N VAL A 82 3.183 -4.981 -0.582 1.00 0.00 N ATOM 1157 CA VAL A 82 3.980 -5.812 0.300 1.00 0.00 C ATOM 1158 C VAL A 82 5.341 -5.178 0.539 1.00 0.00 C ATOM 1159 O VAL A 82 5.952 -4.686 -0.409 1.00 0.00 O ATOM 1160 CB VAL A 82 4.072 -7.289 -0.092 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.751 -7.563 -1.421 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.752 -8.099 1.009 1.00 0.00 C ATOM 0 H VAL A 82 3.712 -4.654 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 82 3.438 -5.846 1.245 1.00 0.00 H new ATOM 0 HB VAL A 82 3.036 -7.604 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.766 -8.637 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.202 -7.064 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.773 -7.186 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.807 -9.146 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.759 -7.715 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.176 -8.015 1.931 1.00 0.00 H new ATOM 1172 N TYR A 83 5.735 -4.892 1.779 1.00 0.00 N ATOM 1173 CA TYR A 83 6.974 -4.243 2.150 1.00 0.00 C ATOM 1174 C TYR A 83 7.406 -4.609 3.563 1.00 0.00 C ATOM 1175 O TYR A 83 6.781 -5.384 4.287 1.00 0.00 O ATOM 1176 CB TYR A 83 7.035 -2.743 1.862 1.00 0.00 C ATOM 1177 CG TYR A 83 6.242 -1.818 2.745 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.922 -2.081 3.184 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.938 -0.717 3.237 1.00 0.00 C ATOM 1180 CE1 TYR A 83 4.309 -1.241 4.127 1.00 0.00 C ATOM 1181 CE2 TYR A 83 6.353 -0.002 4.295 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.987 -0.126 4.648 1.00 0.00 C ATOM 1183 OH TYR A 83 4.448 0.638 5.629 1.00 0.00 O ATOM 0 H TYR A 83 5.161 -5.123 2.590 1.00 0.00 H new ATOM 0 HA TYR A 83 7.722 -4.653 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.080 -2.436 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.705 -2.587 0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.384 -2.932 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.891 -0.424 2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.303 -1.455 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.973 0.673 4.866 1.00 0.00 H new ATOM 0 HH TYR A 83 3.528 0.348 5.802 1.00 0.00 H new ATOM 1193 N ASP A 84 8.577 -4.172 4.036 1.00 0.00 N ATOM 1194 CA ASP A 84 9.241 -4.481 5.285 1.00 0.00 C ATOM 1195 C ASP A 84 10.122 -3.305 5.705 1.00 0.00 C ATOM 1196 O ASP A 84 10.492 -2.470 4.878 1.00 0.00 O ATOM 1197 CB ASP A 84 9.996 -5.792 5.055 1.00 0.00 C ATOM 1198 CG ASP A 84 10.772 -5.962 3.751 1.00 0.00 C ATOM 1199 OD1 ASP A 84 10.817 -7.121 3.280 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.563 -5.075 3.350 1.00 0.00 O1- ATOM 0 H ASP A 84 9.136 -3.522 3.484 1.00 0.00 H new ATOM 0 HA ASP A 84 8.552 -4.623 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.698 -5.920 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.275 -6.607 5.121 1.00 0.00 H new ATOM 1205 N ALA A 85 10.485 -3.333 6.981 1.00 0.00 N ATOM 1206 CA ALA A 85 11.173 -2.403 7.849 1.00 0.00 C ATOM 1207 C ALA A 85 12.256 -3.062 8.692 1.00 0.00 C ATOM 1208 O ALA A 85 12.000 -3.813 9.630 1.00 0.00 O ATOM 1209 CB ALA A 85 10.201 -1.643 8.726 1.00 0.00 C ATOM 0 H ALA A 85 10.255 -4.169 7.519 1.00 0.00 H new ATOM 0 HA ALA A 85 11.675 -1.694 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.751 -0.953 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.507 -1.082 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.644 -2.346 9.345 1.00 0.00 H new ATOM 1215 N PRO A 86 13.535 -2.748 8.399 1.00 0.00 N ATOM 1216 CA PRO A 86 14.678 -3.277 9.112 1.00 0.00 C ATOM 1217 C PRO A 86 14.904 -2.647 10.484 1.00 0.00 C ATOM 1218 O PRO A 86 15.914 -2.938 11.124 1.00 0.00 O ATOM 1219 CB PRO A 86 15.882 -3.186 8.183 1.00 0.00 C ATOM 1220 CG PRO A 86 15.534 -1.935 7.392 1.00 0.00 C ATOM 1221 CD PRO A 86 14.008 -1.886 7.345 1.00 0.00 C ATOM 0 HA PRO A 86 14.493 -4.321 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.819 -3.083 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.980 -4.065 7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.940 -1.044 7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.955 -1.977 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.649 -0.867 7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.639 -2.221 6.376 1.00 0.00 H new ATOM 1229 N VAL A 87 14.013 -1.822 11.025 1.00 0.00 N ATOM 1230 CA VAL A 87 14.182 -0.844 12.092 1.00 0.00 C ATOM 1231 C VAL A 87 13.108 -0.847 13.172 1.00 0.00 C ATOM 1232 O VAL A 87 11.906 -0.971 12.904 1.00 0.00 O ATOM 1233 CB VAL A 87 14.322 0.580 11.575 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.732 0.875 11.077 1.00 0.00 C ATOM 1235 CG2 VAL A 87 13.410 1.091 10.461 1.00 0.00 C ATOM 0 H VAL A 87 13.050 -1.824 10.689 1.00 0.00 H new ATOM 0 HA VAL A 87 15.111 -1.179 12.554 1.00 0.00 H new ATOM 0 HB VAL A 87 14.022 1.099 12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.783 1.903 10.718 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.442 0.740 11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.981 0.194 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.662 2.126 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.545 0.478 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.371 1.035 10.787 1.00 0.00 H new ATOM 1245 N GLU A 88 13.565 -0.712 14.417 1.00 0.00 N ATOM 1246 CA GLU A 88 12.865 0.114 15.383 1.00 0.00 C ATOM 1247 C GLU A 88 12.850 1.517 14.777 1.00 0.00 C ATOM 1248 O GLU A 88 13.852 2.227 14.841 1.00 0.00 O ATOM 1249 CB GLU A 88 13.430 -0.033 16.789 1.00 0.00 C ATOM 1250 CG GLU A 88 12.582 0.481 17.936 1.00 0.00 C ATOM 1251 CD GLU A 88 13.413 0.652 19.192 1.00 0.00 C ATOM 1252 OE1 GLU A 88 13.079 0.138 20.270 1.00 0.00 O ATOM 1253 OE2 GLU A 88 14.314 1.522 19.084 1.00 0.00 O1- ATOM 0 H GLU A 88 14.409 -1.162 14.772 1.00 0.00 H new ATOM 0 HA GLU A 88 11.833 -0.194 15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.629 -1.090 16.964 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.390 0.482 16.822 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.132 1.435 17.661 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.764 -0.214 18.128 1.00 0.00 H new ATOM 1260 N GLY A 89 11.682 2.008 14.330 1.00 0.00 N ATOM 1261 CA GLY A 89 11.571 3.259 13.617 1.00 0.00 C ATOM 1262 C GLY A 89 10.179 3.626 13.115 1.00 0.00 C ATOM 1263 O GLY A 89 9.239 2.944 13.498 1.00 0.00 O ATOM 0 H GLY A 89 10.790 1.532 14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.921 4.058 14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.246 3.227 12.762 1.00 0.00 H new ATOM 1267 N ASN A 90 10.079 4.481 12.093 1.00 0.00 N ATOM 1268 CA ASN A 90 8.872 4.969 11.466 1.00 0.00 C ATOM 1269 C ASN A 90 9.031 4.868 9.962 1.00 0.00 C ATOM 1270 O ASN A 90 10.155 4.938 9.472 1.00 0.00 O ATOM 1271 CB ASN A 90 8.482 6.357 11.984 1.00 0.00 C ATOM 1272 CG ASN A 90 7.204 6.912 11.389 1.00 0.00 C ATOM 1273 OD1 ASN A 90 6.118 6.862 11.994 1.00 0.00 O ATOM 1274 ND2 ASN A 90 7.159 7.562 10.235 1.00 0.00 N ATOM 0 H ASN A 90 10.913 4.874 11.657 1.00 0.00 H new ATOM 0 HA ASN A 90 8.020 4.346 11.740 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.373 6.309 13.067 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.296 7.051 11.776 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.281 7.970 9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.002 7.654 9.668 1.00 0.00 H new ATOM 1281 N TYR A 91 8.006 4.458 9.212 1.00 0.00 N ATOM 1282 CA TYR A 91 7.861 4.650 7.786 1.00 0.00 C ATOM 1283 C TYR A 91 6.825 5.721 7.493 1.00 0.00 C ATOM 1284 O TYR A 91 5.765 5.776 8.127 1.00 0.00 O ATOM 1285 CB TYR A 91 7.534 3.307 7.138 1.00 0.00 C ATOM 1286 CG TYR A 91 8.682 2.366 6.812 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.984 2.794 6.584 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.395 1.009 6.649 1.00 0.00 C ATOM 1289 CE1 TYR A 91 11.035 1.940 6.206 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.421 0.167 6.181 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.722 0.604 5.894 1.00 0.00 C ATOM 1292 OH TYR A 91 11.549 -0.199 5.159 1.00 0.00 O ATOM 0 H TYR A 91 7.216 3.956 9.616 1.00 0.00 H new ATOM 0 HA TYR A 91 8.795 5.010 7.354 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.847 2.778 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.995 3.507 6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.202 3.845 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.414 0.617 6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.052 2.299 6.157 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.193 -0.878 6.034 1.00 0.00 H new ATOM 0 HH TYR A 91 11.020 -0.894 4.714 1.00 0.00 H new ATOM 1302 N ASN A 92 7.028 6.509 6.438 1.00 0.00 N ATOM 1303 CA ASN A 92 6.149 7.607 6.117 1.00 0.00 C ATOM 1304 C ASN A 92 5.749 7.375 4.672 1.00 0.00 C ATOM 1305 O ASN A 92 6.599 7.100 3.832 1.00 0.00 O ATOM 1306 CB ASN A 92 6.821 8.954 6.331 1.00 0.00 C ATOM 1307 CG ASN A 92 5.927 10.096 5.879 1.00 0.00 C ATOM 1308 OD1 ASN A 92 6.032 10.748 4.838 1.00 0.00 O ATOM 1309 ND2 ASN A 92 4.841 10.397 6.594 1.00 0.00 N ATOM 0 H ASN A 92 7.807 6.396 5.790 1.00 0.00 H new ATOM 0 HA ASN A 92 5.277 7.638 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.066 9.077 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.761 8.985 5.780 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.192 11.110 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.660 9.914 7.474 1.00 0.00 H new ATOM 1316 N VAL A 93 4.454 7.163 4.483 1.00 0.00 N ATOM 1317 CA VAL A 93 3.879 6.342 3.428 1.00 0.00 C ATOM 1318 C VAL A 93 2.880 7.146 2.609 1.00 0.00 C ATOM 1319 O VAL A 93 2.018 7.820 3.189 1.00 0.00 O ATOM 1320 CB VAL A 93 3.174 5.106 3.994 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.381 4.343 2.946 1.00 0.00 C ATOM 1322 CG2 VAL A 93 4.285 4.196 4.526 1.00 0.00 C ATOM 0 H VAL A 93 3.745 7.577 5.088 1.00 0.00 H new ATOM 0 HA VAL A 93 4.703 6.016 2.793 1.00 0.00 H new ATOM 0 HB VAL A 93 2.461 5.416 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.905 3.478 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.617 4.995 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.052 4.008 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.845 3.291 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.957 3.928 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.845 4.720 5.301 1.00 0.00 H new ATOM 1332 N ASN A 94 2.971 6.990 1.287 1.00 0.00 N ATOM 1333 CA ASN A 94 2.233 7.770 0.307 1.00 0.00 C ATOM 1334 C ASN A 94 1.737 6.765 -0.720 1.00 0.00 C ATOM 1335 O ASN A 94 2.541 6.011 -1.262 1.00 0.00 O ATOM 1336 CB ASN A 94 3.177 8.786 -0.339 1.00 0.00 C ATOM 1337 CG ASN A 94 2.511 9.652 -1.396 1.00 0.00 C ATOM 1338 OD1 ASN A 94 1.286 9.775 -1.490 1.00 0.00 O ATOM 1339 ND2 ASN A 94 3.303 10.197 -2.325 1.00 0.00 N ATOM 0 H ASN A 94 3.582 6.293 0.861 1.00 0.00 H new ATOM 0 HA ASN A 94 1.404 8.324 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.591 9.429 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.014 8.254 -0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.895 10.711 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.316 10.099 -2.253 1.00 0.00 H new ATOM 1346 N VAL A 95 0.488 6.788 -1.147 1.00 0.00 N ATOM 1347 CA VAL A 95 -0.042 5.976 -2.230 1.00 0.00 C ATOM 1348 C VAL A 95 -0.475 6.778 -3.447 1.00 0.00 C ATOM 1349 O VAL A 95 -0.820 7.954 -3.319 1.00 0.00 O ATOM 1350 CB VAL A 95 -1.237 5.190 -1.704 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.968 4.334 -2.738 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.936 4.197 -0.579 1.00 0.00 C ATOM 0 H VAL A 95 -0.216 7.399 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 95 0.765 5.323 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.844 6.027 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.800 3.817 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.347 4.972 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.278 3.601 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.856 3.694 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.215 3.458 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.522 4.731 0.276 1.00 0.00 H new ATOM 1362 N THR A 96 -0.156 6.289 -4.650 1.00 0.00 N ATOM 1363 CA THR A 96 -0.202 7.091 -5.863 1.00 0.00 C ATOM 1364 C THR A 96 -0.676 6.323 -7.081 1.00 0.00 C ATOM 1365 O THR A 96 -0.675 5.101 -7.037 1.00 0.00 O ATOM 1366 CB THR A 96 1.075 7.822 -6.282 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.178 6.955 -6.349 1.00 0.00 O ATOM 1368 CG2 THR A 96 1.484 8.960 -5.346 1.00 0.00 C ATOM 0 H THR A 96 0.141 5.325 -4.803 1.00 0.00 H new ATOM 0 HA THR A 96 -0.922 7.845 -5.546 1.00 0.00 H new ATOM 0 HB THR A 96 0.821 8.231 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.974 7.458 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.398 9.424 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.688 9.704 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.657 8.564 -4.345 1.00 0.00 H new ATOM 1376 N LEU A 97 -1.041 6.983 -8.194 1.00 0.00 N ATOM 1377 CA LEU A 97 -2.102 6.455 -9.035 1.00 0.00 C ATOM 1378 C LEU A 97 -1.686 6.965 -10.414 1.00 0.00 C ATOM 1379 O LEU A 97 -1.846 8.165 -10.640 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.362 7.066 -8.431 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.614 6.492 -9.095 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -5.857 6.747 -8.236 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -4.923 7.094 -10.454 1.00 0.00 C ATOM 0 H LEU A 97 -0.625 7.857 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.274 5.381 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.390 6.869 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.343 8.149 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.392 5.431 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.733 6.329 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.730 6.274 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.993 7.820 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.825 6.635 -10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.078 8.168 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.088 6.912 -11.131 1.00 0.00 H new ATOM 1395 N ARG A 98 -1.059 6.148 -11.260 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.119 6.602 -12.261 1.00 0.00 C ATOM 1397 C ARG A 98 0.970 7.463 -11.650 1.00 0.00 C ATOM 1398 O ARG A 98 1.401 8.426 -12.291 1.00 0.00 O ATOM 1399 CB ARG A 98 -0.900 7.379 -13.314 1.00 0.00 C ATOM 1400 CG ARG A 98 -0.419 7.297 -14.769 1.00 0.00 C ATOM 1401 CD ARG A 98 -1.252 8.140 -15.740 1.00 0.00 C ATOM 1402 NE ARG A 98 -2.673 7.877 -15.544 1.00 0.00 N ATOM 1403 CZ ARG A 98 -3.784 8.302 -16.167 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -3.736 9.111 -17.235 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -4.981 7.792 -15.845 1.00 0.00 N ATOM 0 H ARG A 98 -1.198 5.138 -11.262 1.00 0.00 H new ATOM 0 HA ARG A 98 0.380 5.745 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.934 7.037 -13.284 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.903 8.429 -13.021 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.620 7.623 -14.818 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.443 6.256 -15.092 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.046 9.199 -15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.970 7.909 -16.767 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.862 7.237 -14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.835 9.423 -17.599 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.600 9.415 -17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.053 7.076 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.820 8.120 -16.323 1.00 0.00 H new ATOM 1419 N GLY A 99 1.482 7.208 -10.441 1.00 0.00 N ATOM 1420 CA GLY A 99 2.495 8.027 -9.821 1.00 0.00 C ATOM 1421 C GLY A 99 1.891 9.361 -9.394 1.00 0.00 C ATOM 1422 O GLY A 99 2.612 10.061 -8.689 1.00 0.00 O ATOM 0 H GLY A 99 1.192 6.414 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.912 7.512 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.316 8.196 -10.518 1.00 0.00 H new ATOM 1426 N ASN A 100 0.597 9.632 -9.599 1.00 0.00 N ATOM 1427 CA ASN A 100 0.011 10.909 -9.277 1.00 0.00 C ATOM 1428 C ASN A 100 -0.612 10.857 -7.890 1.00 0.00 C ATOM 1429 O ASN A 100 -1.049 9.757 -7.537 1.00 0.00 O ATOM 1430 CB ASN A 100 -0.935 11.315 -10.405 1.00 0.00 C ATOM 1431 CG ASN A 100 -0.122 11.529 -11.674 1.00 0.00 C ATOM 1432 OD1 ASN A 100 0.934 12.158 -11.689 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -0.683 11.205 -12.842 1.00 0.00 N ATOM 0 H ASN A 100 -0.062 8.961 -9.994 1.00 0.00 H new ATOM 0 HA ASN A 100 0.761 11.697 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.686 10.542 -10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.468 12.228 -10.140 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.235 11.479 -13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.559 10.683 -12.860 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.544 11.919 -7.088 1.00 0.00 N ATOM 1441 CA PRO A 101 -1.085 11.915 -5.731 1.00 0.00 C ATOM 1442 C PRO A 101 -2.595 12.102 -5.680 1.00 0.00 C ATOM 1443 O PRO A 101 -3.283 12.640 -6.529 1.00 0.00 O ATOM 1444 CB PRO A 101 -0.388 13.038 -4.969 1.00 0.00 C ATOM 1445 CG PRO A 101 -0.144 14.021 -6.122 1.00 0.00 C ATOM 1446 CD PRO A 101 0.003 13.216 -7.419 1.00 0.00 C ATOM 0 HA PRO A 101 -0.899 10.939 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.014 13.462 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.538 12.710 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.973 14.724 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.755 14.609 -5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.541 13.681 -8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.046 13.143 -7.728 1.00 0.00 H new ATOM 1454 N ILE A 102 -3.060 11.642 -4.514 1.00 0.00 N ATOM 1455 CA ILE A 102 -4.430 11.451 -4.097 1.00 0.00 C ATOM 1456 C ILE A 102 -4.665 11.783 -2.633 1.00 0.00 C ATOM 1457 O ILE A 102 -3.759 12.309 -1.997 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.879 10.050 -4.526 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -4.030 8.947 -3.899 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.923 9.811 -6.034 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -4.382 7.511 -4.247 1.00 0.00 C ATOM 0 H ILE A 102 -2.412 11.371 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.071 12.173 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.903 10.006 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.992 9.118 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.085 9.054 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.253 8.791 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.619 10.513 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.929 9.959 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.699 6.834 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.405 7.301 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.295 7.366 -5.324 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.843 11.486 -2.083 1.00 0.00 N ATOM 1474 CA LYS A 103 -6.397 12.088 -0.890 1.00 0.00 C ATOM 1475 C LYS A 103 -6.078 11.285 0.366 1.00 0.00 C ATOM 1476 O LYS A 103 -5.913 10.065 0.241 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.901 12.190 -1.097 1.00 0.00 C ATOM 1478 CG LYS A 103 -8.497 12.575 -2.443 1.00 0.00 C ATOM 1479 CD LYS A 103 -10.017 12.606 -2.469 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.539 13.837 -1.721 1.00 0.00 C ATOM 1481 NZ LYS A 103 -12.003 13.927 -1.617 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.461 10.782 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.952 13.071 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.323 11.221 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.272 12.911 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.120 13.558 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.147 11.870 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.369 12.623 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.413 11.699 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.118 13.838 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.170 14.732 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.258 14.679 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.405 14.147 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.384 13.019 -1.282 1.00 0.00 H new ATOM 1495 N ASN A 104 -6.099 11.858 1.573 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.852 11.281 2.876 1.00 0.00 C ATOM 1497 C ASN A 104 -4.562 10.485 2.931 1.00 0.00 C ATOM 1498 O ASN A 104 -4.423 9.477 3.616 1.00 0.00 O ATOM 1499 CB ASN A 104 -7.116 10.603 3.403 1.00 0.00 C ATOM 1500 CG ASN A 104 -8.309 11.530 3.514 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -9.221 11.486 2.690 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -8.427 12.250 4.628 1.00 0.00 N ATOM 0 H ASN A 104 -6.315 12.851 1.657 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.647 12.072 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.373 9.773 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.906 10.178 4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.283 12.775 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.662 12.276 5.302 1.00 0.00 H new ATOM 1509 N MET A 105 -3.527 10.910 2.190 1.00 0.00 N ATOM 1510 CA MET A 105 -2.160 10.479 2.018 1.00 0.00 C ATOM 1511 C MET A 105 -1.298 11.724 2.168 1.00 0.00 C ATOM 1512 O MET A 105 -1.803 12.797 1.821 1.00 0.00 O ATOM 1513 CB MET A 105 -1.915 9.775 0.689 1.00 0.00 C ATOM 1514 CG MET A 105 -2.274 8.293 0.835 1.00 0.00 C ATOM 1515 SD MET A 105 -1.085 7.174 1.613 1.00 0.00 S ATOM 1516 CE MET A 105 -2.144 6.168 2.678 1.00 0.00 C ATOM 0 H MET A 105 -3.684 11.721 1.591 1.00 0.00 H new ATOM 0 HA MET A 105 -1.908 9.729 2.768 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.517 10.233 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.871 9.882 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 105 -3.202 8.234 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.486 7.906 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.535 5.439 3.213 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.654 6.811 3.395 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.882 5.646 2.069 1.00 0.00 H new ATOM 1526 N PRO A 106 -0.040 11.768 2.609 1.00 0.00 N ATOM 1527 CA PRO A 106 0.714 10.620 3.075 1.00 0.00 C ATOM 1528 C PRO A 106 0.217 10.289 4.477 1.00 0.00 C ATOM 1529 O PRO A 106 -0.290 11.174 5.155 1.00 0.00 O ATOM 1530 CB PRO A 106 2.174 11.057 3.137 1.00 0.00 C ATOM 1531 CG PRO A 106 2.074 12.572 3.310 1.00 0.00 C ATOM 1532 CD PRO A 106 0.738 12.988 2.731 1.00 0.00 C ATOM 0 HA PRO A 106 0.602 9.750 2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.700 10.590 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.714 10.790 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.142 12.847 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.893 13.075 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.238 13.707 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.865 13.469 1.761 1.00 0.00 H new ATOM 1540 N ILE A 107 0.511 9.087 4.963 1.00 0.00 N ATOM 1541 CA ILE A 107 0.446 8.653 6.352 1.00 0.00 C ATOM 1542 C ILE A 107 1.682 8.010 6.961 1.00 0.00 C ATOM 1543 O ILE A 107 2.669 7.698 6.313 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.885 7.972 6.652 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.871 6.589 6.012 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -2.078 8.712 6.048 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -0.113 5.588 6.881 1.00 0.00 C ATOM 0 H ILE A 107 0.824 8.335 4.349 1.00 0.00 H new ATOM 0 HA ILE A 107 0.471 9.578 6.928 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.994 7.947 7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.894 6.244 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.407 6.645 5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.998 8.181 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.123 9.723 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.966 8.760 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.119 4.610 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.916 5.923 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.594 5.515 7.856 1.00 0.00 H new ATOM 1559 N ASP A 108 1.719 7.843 8.286 1.00 0.00 N ATOM 1560 CA ASP A 108 2.785 7.233 9.055 1.00 0.00 C ATOM 1561 C ASP A 108 2.549 5.847 9.626 1.00 0.00 C ATOM 1562 O ASP A 108 1.437 5.453 9.974 1.00 0.00 O ATOM 1563 CB ASP A 108 3.101 8.187 10.202 1.00 0.00 C ATOM 1564 CG ASP A 108 3.701 9.491 9.705 1.00 0.00 C ATOM 1565 OD1 ASP A 108 3.029 10.537 9.572 1.00 0.00 O ATOM 1566 OD2 ASP A 108 4.946 9.505 9.617 1.00 0.00 O1- ATOM 0 H ASP A 108 0.950 8.154 8.880 1.00 0.00 H new ATOM 0 HA ASP A 108 3.597 7.075 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.189 8.397 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.795 7.708 10.892 1.00 0.00 H new ATOM 1571 N VAL A 109 3.611 5.057 9.594 1.00 0.00 N ATOM 1572 CA VAL A 109 3.691 3.685 10.050 1.00 0.00 C ATOM 1573 C VAL A 109 4.786 3.548 11.093 1.00 0.00 C ATOM 1574 O VAL A 109 5.949 3.862 10.840 1.00 0.00 O ATOM 1575 CB VAL A 109 3.746 2.779 8.834 1.00 0.00 C ATOM 1576 CG1 VAL A 109 3.790 1.344 9.352 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.488 2.809 7.992 1.00 0.00 C ATOM 0 H VAL A 109 4.502 5.385 9.221 1.00 0.00 H new ATOM 0 HA VAL A 109 2.804 3.356 10.592 1.00 0.00 H new ATOM 0 HB VAL A 109 4.598 3.108 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.830 0.654 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.675 1.209 9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.896 1.143 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.603 2.137 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.639 2.489 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.315 3.823 7.632 1.00 0.00 H new ATOM 1587 N LYS A 110 4.438 3.042 12.274 1.00 0.00 N ATOM 1588 CA LYS A 110 5.404 2.574 13.239 1.00 0.00 C ATOM 1589 C LYS A 110 5.895 1.174 12.900 1.00 0.00 C ATOM 1590 O LYS A 110 5.066 0.282 12.748 1.00 0.00 O ATOM 1591 CB LYS A 110 4.775 2.722 14.623 1.00 0.00 C ATOM 1592 CG LYS A 110 4.665 4.190 15.025 1.00 0.00 C ATOM 1593 CD LYS A 110 6.050 4.794 15.206 1.00 0.00 C ATOM 1594 CE LYS A 110 6.059 6.165 15.858 1.00 0.00 C ATOM 1595 NZ LYS A 110 7.443 6.677 16.053 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.470 2.949 12.581 1.00 0.00 H new ATOM 0 HA LYS A 110 6.315 3.173 13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.785 2.266 14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.375 2.185 15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.117 4.743 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.098 4.279 15.952 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.653 4.115 15.809 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.531 4.866 14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.497 6.865 15.240 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.552 6.112 16.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.408 7.600 16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.983 6.006 16.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.907 6.784 15.128 1.00 0.00 H new ATOM 1609 N CYS A 111 7.229 1.013 12.845 1.00 0.00 N ATOM 1610 CA CYS A 111 7.974 -0.133 12.371 1.00 0.00 C ATOM 1611 C CYS A 111 8.781 -0.797 13.459 1.00 0.00 C ATOM 1612 O CYS A 111 9.344 -0.060 14.271 1.00 0.00 O ATOM 1613 CB CYS A 111 8.940 0.405 11.329 1.00 0.00 C ATOM 1614 SG CYS A 111 7.929 0.903 9.908 1.00 0.00 S ATOM 0 H CYS A 111 7.854 1.754 13.162 1.00 0.00 H new ATOM 0 HA CYS A 111 7.280 -0.880 11.987 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.503 1.252 11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.666 -0.356 11.042 1.00 0.00 H new ATOM 0 HG CYS A 111 8.645 0.845 8.825 1.00 0.00 H new ATOM 1620 N ILE A 112 8.889 -2.127 13.547 1.00 0.00 N ATOM 1621 CA ILE A 112 9.723 -2.671 14.598 1.00 0.00 C ATOM 1622 C ILE A 112 10.586 -3.742 13.962 1.00 0.00 C ATOM 1623 O ILE A 112 10.222 -4.388 12.980 1.00 0.00 O ATOM 1624 CB ILE A 112 8.917 -3.073 15.825 1.00 0.00 C ATOM 1625 CG1 ILE A 112 8.197 -1.921 16.510 1.00 0.00 C ATOM 1626 CG2 ILE A 112 9.883 -3.633 16.871 1.00 0.00 C ATOM 1627 CD1 ILE A 112 7.201 -2.192 17.626 1.00 0.00 C ATOM 0 H ILE A 112 8.434 -2.806 12.936 1.00 0.00 H new ATOM 0 HA ILE A 112 10.395 -1.925 15.023 1.00 0.00 H new ATOM 0 HB ILE A 112 8.171 -3.784 15.469 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.962 -1.258 16.914 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.670 -1.364 15.735 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.326 -3.928 17.760 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.399 -4.501 16.462 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.614 -2.869 17.137 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.794 -1.248 17.987 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.391 -2.816 17.247 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.703 -2.707 18.445 1.00 0.00 H new ATOM 1639 N GLU A 113 11.840 -3.949 14.390 1.00 0.00 N ATOM 1640 CA GLU A 113 12.858 -4.722 13.716 1.00 0.00 C ATOM 1641 C GLU A 113 12.751 -6.222 13.962 1.00 0.00 C ATOM 1642 O GLU A 113 13.735 -6.865 14.337 1.00 0.00 O ATOM 1643 CB GLU A 113 14.261 -4.197 13.972 1.00 0.00 C ATOM 1644 CG GLU A 113 14.665 -3.727 15.368 1.00 0.00 C ATOM 1645 CD GLU A 113 16.041 -3.055 15.341 1.00 0.00 C ATOM 1646 OE1 GLU A 113 16.060 -1.886 14.890 1.00 0.00 O ATOM 1647 OE2 GLU A 113 17.040 -3.756 15.583 1.00 0.00 O1- ATOM 0 H GLU A 113 12.176 -3.553 15.268 1.00 0.00 H new ATOM 0 HA GLU A 113 12.660 -4.583 12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.958 -4.983 13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.422 -3.361 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 113 13.922 -3.027 15.750 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.684 -4.576 16.051 1.00 0.00 H new ATOM 1654 N GLY A 114 11.556 -6.820 13.824 1.00 0.00 N ATOM 1655 CA GLY A 114 11.334 -8.235 13.914 1.00 0.00 C ATOM 1656 C GLY A 114 11.554 -9.032 12.632 1.00 0.00 C ATOM 0 H GLY A 114 10.701 -6.295 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.991 -8.637 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.310 -8.401 14.250 1.00 0.00 H new