USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 42 MET CE :methyl -176:sc= -2.66! (180deg=-2.68) USER MOD Set 1.2: A 61 MET CE :methyl -126:sc= -16.9! (180deg=-22.9!) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.327 K(o=-1.1,f=-3.6!) USER MOD Set 2.2: A 60 GLN : amide:sc= -0.819 K(o=-1.1,f=-0.48) USER MOD Set 3.1: A 17 THR OG1 : rot -147:sc= -4.07! USER MOD Set 3.2: A 64 THR OG1 : rot 88:sc= 0.258 USER MOD Single : A 23 GLN : amide:sc= -1.01 K(o=-1,f=-2) USER MOD Single : A 24 SER OG : rot -150:sc= -1.44 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.17) USER MOD Single : A 31 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : A 44 THR OG1 : rot 131:sc= 1.15 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= -0.199 USER MOD Single : A 50 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.155 K(o=-0.15,f=-2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-4.2!) USER MOD Single : A 70 SER OG : rot -124:sc= -0.707 USER MOD Single : A 73 SER OG : rot 180:sc= 0.101 USER MOD Single : A 80 MET CE :methyl -127:sc= -7.15! (180deg=-9.74!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00115 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.964 11.149 -1.307 1.00 0.00 N ATOM 178 CA ALA A 16 -4.660 11.325 -0.691 1.00 0.00 C ATOM 179 C ALA A 16 -4.340 10.105 0.175 1.00 0.00 C ATOM 180 O ALA A 16 -3.321 9.446 -0.027 1.00 0.00 O ATOM 181 CB ALA A 16 -4.646 12.628 0.111 1.00 0.00 C ATOM 0 HA ALA A 16 -3.884 11.402 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.668 12.760 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.849 13.467 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.411 12.586 0.886 1.00 0.00 H new ATOM 187 N THR A 17 -5.230 9.840 1.120 1.00 0.00 N ATOM 188 CA THR A 17 -5.056 8.710 2.017 1.00 0.00 C ATOM 189 C THR A 17 -5.711 7.458 1.431 1.00 0.00 C ATOM 190 O THR A 17 -6.811 7.527 0.884 1.00 0.00 O ATOM 191 CB THR A 17 -5.613 9.104 3.386 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.857 10.255 3.752 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.279 8.078 4.471 1.00 0.00 C ATOM 0 H THR A 17 -6.074 10.389 1.284 1.00 0.00 H new ATOM 0 HA THR A 17 -4.002 8.460 2.139 1.00 0.00 H new ATOM 0 HB THR A 17 -6.695 9.221 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.739 10.273 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.697 8.406 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.704 7.111 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.197 7.985 4.563 1.00 0.00 H new ATOM 201 N VAL A 18 -5.008 6.343 1.565 1.00 0.00 N ATOM 202 CA VAL A 18 -5.508 5.078 1.055 1.00 0.00 C ATOM 203 C VAL A 18 -5.159 3.962 2.043 1.00 0.00 C ATOM 204 O VAL A 18 -4.266 4.121 2.874 1.00 0.00 O ATOM 205 CB VAL A 18 -4.958 4.825 -0.350 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.515 5.843 -1.347 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.428 4.838 -0.350 1.00 0.00 C ATOM 0 H VAL A 18 -4.096 6.289 2.019 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.594 5.106 0.964 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.284 3.834 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.109 5.641 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.602 5.765 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.232 6.849 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.063 4.656 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.072 5.809 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.058 4.059 0.316 1.00 0.00 H new ATOM 217 N VAL A 19 -5.882 2.859 1.919 1.00 0.00 N ATOM 218 CA VAL A 19 -5.660 1.717 2.790 1.00 0.00 C ATOM 219 C VAL A 19 -4.997 0.593 1.992 1.00 0.00 C ATOM 220 O VAL A 19 -5.416 0.289 0.875 1.00 0.00 O ATOM 221 CB VAL A 19 -6.978 1.292 3.441 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.759 0.130 4.413 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.650 2.474 4.141 1.00 0.00 C ATOM 0 H VAL A 19 -6.622 2.732 1.229 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.982 1.982 3.602 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.646 0.947 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.711 -0.153 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.345 -0.722 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.065 0.436 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.585 2.145 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.988 2.863 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.857 3.258 3.413 1.00 0.00 H new ATOM 233 N VAL A 20 -3.974 0.005 2.595 1.00 0.00 N ATOM 234 CA VAL A 20 -3.250 -1.079 1.954 1.00 0.00 C ATOM 235 C VAL A 20 -3.469 -2.371 2.744 1.00 0.00 C ATOM 236 O VAL A 20 -3.508 -2.351 3.973 1.00 0.00 O ATOM 237 CB VAL A 20 -1.772 -0.709 1.812 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.953 -1.901 1.313 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.595 0.502 0.893 1.00 0.00 C ATOM 0 H VAL A 20 -3.630 0.259 3.521 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.628 -1.247 0.946 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.399 -0.437 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.094 -1.610 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.040 -2.724 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.328 -2.219 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.535 0.744 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.993 0.270 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.130 1.356 1.309 1.00 0.00 H new ATOM 249 N ASN A 21 -3.607 -3.462 2.006 1.00 0.00 N ATOM 250 CA ASN A 21 -3.822 -4.760 2.622 1.00 0.00 C ATOM 251 C ASN A 21 -3.243 -5.851 1.719 1.00 0.00 C ATOM 252 O ASN A 21 -2.925 -5.597 0.558 1.00 0.00 O ATOM 253 CB ASN A 21 -5.314 -5.042 2.806 1.00 0.00 C ATOM 254 CG ASN A 21 -5.789 -4.601 4.193 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.005 -4.307 5.081 1.00 0.00 O ATOM 256 ND2 ASN A 21 -7.111 -4.572 4.328 1.00 0.00 N ATOM 0 H ASN A 21 -3.574 -3.474 0.987 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.333 -4.756 3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.884 -4.518 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.505 -6.107 2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.527 -4.291 5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.710 -4.831 3.544 1.00 0.00 H new ATOM 263 N LEU A 22 -3.123 -7.042 2.286 1.00 0.00 N ATOM 264 CA LEU A 22 -2.588 -8.173 1.546 1.00 0.00 C ATOM 265 C LEU A 22 -3.741 -9.056 1.068 1.00 0.00 C ATOM 266 O LEU A 22 -4.631 -9.398 1.847 1.00 0.00 O ATOM 267 CB LEU A 22 -1.549 -8.919 2.386 1.00 0.00 C ATOM 268 CG LEU A 22 -0.232 -8.180 2.636 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.701 -9.007 3.521 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.432 -7.782 1.316 1.00 0.00 C ATOM 0 H LEU A 22 -3.387 -7.249 3.249 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.059 -7.831 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.996 -9.160 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.324 -9.865 1.893 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.454 -7.259 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.629 -8.459 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.219 -9.197 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.920 -9.956 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.366 -7.259 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.639 -8.677 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.235 -7.127 0.756 1.00 0.00 H new ATOM 282 N GLN A 23 -3.690 -9.402 -0.210 1.00 0.00 N ATOM 283 CA GLN A 23 -4.720 -10.239 -0.801 1.00 0.00 C ATOM 284 C GLN A 23 -4.686 -11.638 -0.183 1.00 0.00 C ATOM 285 O GLN A 23 -5.720 -12.169 0.218 1.00 0.00 O ATOM 286 CB GLN A 23 -4.564 -10.308 -2.322 1.00 0.00 C ATOM 287 CG GLN A 23 -5.345 -9.183 -3.004 1.00 0.00 C ATOM 288 CD GLN A 23 -6.779 -9.618 -3.311 1.00 0.00 C ATOM 289 OE1 GLN A 23 -7.571 -9.905 -2.428 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.068 -9.651 -4.609 1.00 0.00 N ATOM 0 H GLN A 23 -2.951 -9.118 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.691 -9.792 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.509 -10.236 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.918 -11.273 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.358 -8.303 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.843 -8.895 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.358 -9.398 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.000 -9.929 -4.917 1.00 0.00 H new ATOM 299 N SER A 24 -3.485 -12.196 -0.125 1.00 0.00 N ATOM 300 CA SER A 24 -3.303 -13.523 0.438 1.00 0.00 C ATOM 301 C SER A 24 -2.161 -13.507 1.457 1.00 0.00 C ATOM 302 O SER A 24 -1.086 -14.046 1.198 1.00 0.00 O ATOM 303 CB SER A 24 -3.022 -14.553 -0.658 1.00 0.00 C ATOM 304 OG SER A 24 -2.197 -14.021 -1.691 1.00 0.00 O ATOM 0 H SER A 24 -2.629 -11.753 -0.459 1.00 0.00 H new ATOM 0 HA SER A 24 -4.226 -13.811 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.537 -15.426 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.965 -14.893 -1.086 1.00 0.00 H new ATOM 0 HG SER A 24 -2.411 -14.461 -2.540 1.00 0.00 H new ATOM 310 N PRO A 25 -2.441 -12.868 2.624 1.00 0.00 N ATOM 311 CA PRO A 25 -1.450 -12.775 3.682 1.00 0.00 C ATOM 312 C PRO A 25 -1.299 -14.112 4.411 1.00 0.00 C ATOM 313 O PRO A 25 -2.241 -14.901 4.469 1.00 0.00 O ATOM 314 CB PRO A 25 -1.944 -11.658 4.587 1.00 0.00 C ATOM 315 CG PRO A 25 -3.419 -11.482 4.264 1.00 0.00 C ATOM 316 CD PRO A 25 -3.703 -12.219 2.965 1.00 0.00 C ATOM 0 HA PRO A 25 -0.452 -12.552 3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.802 -11.914 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.392 -10.736 4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.036 -11.878 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.664 -10.425 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.503 -12.949 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.019 -11.531 2.181 1.00 0.00 H new ATOM 324 N THR A 26 -0.107 -14.325 4.948 1.00 0.00 N ATOM 325 CA THR A 26 0.180 -15.553 5.671 1.00 0.00 C ATOM 326 C THR A 26 0.005 -15.339 7.176 1.00 0.00 C ATOM 327 O THR A 26 -0.310 -14.235 7.617 1.00 0.00 O ATOM 328 CB THR A 26 1.586 -16.013 5.282 1.00 0.00 C ATOM 329 OG1 THR A 26 1.711 -15.631 3.915 1.00 0.00 O ATOM 330 CG2 THR A 26 1.717 -17.537 5.257 1.00 0.00 C ATOM 0 H THR A 26 0.672 -13.668 4.897 1.00 0.00 H new ATOM 0 HA THR A 26 -0.522 -16.343 5.403 1.00 0.00 H new ATOM 0 HB THR A 26 2.310 -15.598 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.596 -15.891 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.734 -17.810 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.494 -17.938 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.016 -17.951 4.532 1.00 0.00 H new ATOM 338 N LEU A 27 0.216 -16.413 7.922 1.00 0.00 N ATOM 339 CA LEU A 27 0.086 -16.357 9.368 1.00 0.00 C ATOM 340 C LEU A 27 0.947 -15.214 9.910 1.00 0.00 C ATOM 341 O LEU A 27 0.491 -14.428 10.739 1.00 0.00 O ATOM 342 CB LEU A 27 0.410 -17.718 9.988 1.00 0.00 C ATOM 343 CG LEU A 27 -0.699 -18.769 9.915 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.194 -20.133 10.389 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.937 -18.316 10.692 1.00 0.00 C ATOM 0 H LEU A 27 0.476 -17.327 7.552 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.945 -16.141 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.296 -18.118 9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.670 -17.565 11.035 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.996 -18.879 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.002 -20.862 10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.634 -20.454 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.147 -20.056 11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.710 -19.082 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.673 -18.159 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.311 -17.384 10.269 1.00 0.00 H new ATOM 357 N GLU A 28 2.176 -15.158 9.419 1.00 0.00 N ATOM 358 CA GLU A 28 3.105 -14.124 9.843 1.00 0.00 C ATOM 359 C GLU A 28 2.504 -12.738 9.598 1.00 0.00 C ATOM 360 O GLU A 28 2.735 -11.812 10.374 1.00 0.00 O ATOM 361 CB GLU A 28 4.452 -14.271 9.132 1.00 0.00 C ATOM 362 CG GLU A 28 4.259 -14.465 7.627 1.00 0.00 C ATOM 363 CD GLU A 28 5.443 -13.894 6.844 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.604 -12.656 6.881 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.161 -14.710 6.226 1.00 0.00 O ATOM 0 H GLU A 28 2.550 -15.812 8.731 1.00 0.00 H new ATOM 0 HA GLU A 28 3.282 -14.238 10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.061 -13.386 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.995 -15.121 9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.149 -15.526 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.338 -13.976 7.309 1.00 0.00 H new ATOM 372 N GLU A 29 1.745 -12.640 8.517 1.00 0.00 N ATOM 373 CA GLU A 29 1.110 -11.383 8.160 1.00 0.00 C ATOM 374 C GLU A 29 -0.200 -11.212 8.932 1.00 0.00 C ATOM 375 O GLU A 29 -0.547 -10.103 9.336 1.00 0.00 O ATOM 376 CB GLU A 29 0.872 -11.297 6.651 1.00 0.00 C ATOM 377 CG GLU A 29 2.155 -10.903 5.915 1.00 0.00 C ATOM 378 CD GLU A 29 2.472 -11.898 4.797 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.699 -11.913 3.815 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.481 -12.620 4.949 1.00 0.00 O ATOM 0 H GLU A 29 1.555 -13.411 7.876 1.00 0.00 H new ATOM 0 HA GLU A 29 1.781 -10.569 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.516 -12.258 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.090 -10.566 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.046 -9.903 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.986 -10.865 6.620 1.00 0.00 H new ATOM 387 N LYS A 30 -0.892 -12.327 9.114 1.00 0.00 N ATOM 388 CA LYS A 30 -2.156 -12.315 9.831 1.00 0.00 C ATOM 389 C LYS A 30 -1.925 -11.809 11.256 1.00 0.00 C ATOM 390 O LYS A 30 -2.849 -11.317 11.901 1.00 0.00 O ATOM 391 CB LYS A 30 -2.821 -13.692 9.767 1.00 0.00 C ATOM 392 CG LYS A 30 -3.782 -13.782 8.580 1.00 0.00 C ATOM 393 CD LYS A 30 -3.353 -14.884 7.610 1.00 0.00 C ATOM 394 CE LYS A 30 -4.525 -15.329 6.732 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.079 -16.333 5.741 1.00 0.00 N ATOM 0 H LYS A 30 -0.601 -13.245 8.777 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.856 -11.626 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.057 -14.465 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.363 -13.882 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.792 -13.981 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.812 -12.825 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.539 -14.523 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.969 -15.737 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.314 -15.750 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.950 -14.467 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.907 -16.735 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.457 -15.879 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.559 -17.092 6.226 1.00 0.00 H new ATOM 409 N ASN A 31 -0.686 -11.947 11.705 1.00 0.00 N ATOM 410 CA ASN A 31 -0.321 -11.510 13.042 1.00 0.00 C ATOM 411 C ASN A 31 -0.041 -10.006 13.023 1.00 0.00 C ATOM 412 O ASN A 31 -0.492 -9.276 13.904 1.00 0.00 O ATOM 413 CB ASN A 31 0.943 -12.221 13.528 1.00 0.00 C ATOM 414 CG ASN A 31 0.987 -12.277 15.056 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.018 -11.995 15.742 1.00 0.00 O ATOM 416 ND2 ASN A 31 2.162 -12.657 15.550 1.00 0.00 N ATOM 0 H ASN A 31 0.078 -12.355 11.166 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.147 -11.747 13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.975 -13.232 13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.824 -11.700 13.154 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.292 -12.727 16.559 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.933 -12.879 14.920 1.00 0.00 H new ATOM 423 N GLU A 32 0.703 -9.588 12.009 1.00 0.00 N ATOM 424 CA GLU A 32 1.049 -8.184 11.864 1.00 0.00 C ATOM 425 C GLU A 32 1.872 -7.969 10.593 1.00 0.00 C ATOM 426 O GLU A 32 2.776 -8.748 10.295 1.00 0.00 O ATOM 427 CB GLU A 32 1.799 -7.674 13.096 1.00 0.00 C ATOM 428 CG GLU A 32 2.034 -6.165 13.010 1.00 0.00 C ATOM 429 CD GLU A 32 3.529 -5.846 12.929 1.00 0.00 C ATOM 430 OE1 GLU A 32 4.282 -6.455 13.719 1.00 0.00 O ATOM 431 OE2 GLU A 32 3.884 -5.002 12.078 1.00 0.00 O ATOM 0 H GLU A 32 1.076 -10.197 11.280 1.00 0.00 H new ATOM 0 HA GLU A 32 0.127 -7.610 11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.228 -7.906 13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.755 -8.190 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.525 -5.764 12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.601 -5.676 13.882 1.00 0.00 H new ATOM 438 N PHE A 33 1.531 -6.907 9.877 1.00 0.00 N ATOM 439 CA PHE A 33 2.227 -6.580 8.645 1.00 0.00 C ATOM 440 C PHE A 33 3.743 -6.677 8.829 1.00 0.00 C ATOM 441 O PHE A 33 4.290 -6.145 9.794 1.00 0.00 O ATOM 442 CB PHE A 33 1.859 -5.137 8.293 1.00 0.00 C ATOM 443 CG PHE A 33 1.949 -4.818 6.800 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.164 -4.745 6.192 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.815 -4.608 6.080 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.248 -4.450 4.806 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.899 -4.312 4.693 1.00 0.00 C ATOM 448 CZ PHE A 33 2.113 -4.239 4.086 1.00 0.00 C ATOM 0 H PHE A 33 0.781 -6.262 10.127 1.00 0.00 H new ATOM 0 HA PHE A 33 1.938 -7.277 7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.844 -4.938 8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.518 -4.462 8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.065 -4.912 6.764 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.150 -4.666 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.212 -4.393 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.002 -4.145 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.177 -4.013 3.032 1.00 0.00 H new ATOM 458 N PRO A 34 4.395 -7.378 7.864 1.00 0.00 N ATOM 459 CA PRO A 34 5.837 -7.552 7.910 1.00 0.00 C ATOM 460 C PRO A 34 6.558 -6.263 7.510 1.00 0.00 C ATOM 461 O PRO A 34 6.235 -5.658 6.488 1.00 0.00 O ATOM 462 CB PRO A 34 6.125 -8.710 6.969 1.00 0.00 C ATOM 463 CG PRO A 34 4.898 -8.838 6.079 1.00 0.00 C ATOM 464 CD PRO A 34 3.780 -8.022 6.707 1.00 0.00 C ATOM 0 HA PRO A 34 6.202 -7.772 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.019 -8.519 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.302 -9.631 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.116 -8.477 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.602 -9.883 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.386 -7.285 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.945 -8.657 7.004 1.00 0.00 H new ATOM 472 N GLU A 35 7.521 -5.880 8.336 1.00 0.00 N ATOM 473 CA GLU A 35 8.290 -4.674 8.081 1.00 0.00 C ATOM 474 C GLU A 35 9.145 -4.846 6.824 1.00 0.00 C ATOM 475 O GLU A 35 9.564 -3.863 6.214 1.00 0.00 O ATOM 476 CB GLU A 35 9.157 -4.311 9.288 1.00 0.00 C ATOM 477 CG GLU A 35 10.195 -5.400 9.565 1.00 0.00 C ATOM 478 CD GLU A 35 11.295 -4.885 10.496 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.974 -3.916 10.091 1.00 0.00 O ATOM 480 OE2 GLU A 35 11.431 -5.471 11.592 1.00 0.00 O ATOM 0 H GLU A 35 7.786 -6.384 9.182 1.00 0.00 H new ATOM 0 HA GLU A 35 7.594 -3.851 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.661 -3.362 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.525 -4.174 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.708 -6.265 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.636 -5.735 8.626 1.00 0.00 H new ATOM 487 N ASP A 36 9.379 -6.102 6.473 1.00 0.00 N ATOM 488 CA ASP A 36 10.177 -6.415 5.300 1.00 0.00 C ATOM 489 C ASP A 36 9.337 -6.187 4.041 1.00 0.00 C ATOM 490 O ASP A 36 9.871 -6.143 2.934 1.00 0.00 O ATOM 491 CB ASP A 36 10.623 -7.879 5.312 1.00 0.00 C ATOM 492 CG ASP A 36 9.570 -8.872 5.807 1.00 0.00 C ATOM 493 OD1 ASP A 36 9.466 -9.018 7.044 1.00 0.00 O ATOM 494 OD2 ASP A 36 8.893 -9.462 4.938 1.00 0.00 O ATOM 0 H ASP A 36 9.030 -6.915 6.981 1.00 0.00 H new ATOM 0 HA ASP A 36 11.056 -5.770 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.920 -8.161 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.509 -7.968 5.941 1.00 0.00 H new ATOM 499 N LEU A 37 8.037 -6.048 4.254 1.00 0.00 N ATOM 500 CA LEU A 37 7.118 -5.826 3.151 1.00 0.00 C ATOM 501 C LEU A 37 6.867 -4.324 2.996 1.00 0.00 C ATOM 502 O LEU A 37 7.153 -3.748 1.948 1.00 0.00 O ATOM 503 CB LEU A 37 5.840 -6.646 3.344 1.00 0.00 C ATOM 504 CG LEU A 37 5.871 -8.074 2.795 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.472 -8.693 2.800 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.510 -8.113 1.405 1.00 0.00 C ATOM 0 H LEU A 37 7.598 -6.085 5.174 1.00 0.00 H new ATOM 0 HA LEU A 37 7.555 -6.175 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.619 -6.692 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.015 -6.114 2.871 1.00 0.00 H new ATOM 0 HG LEU A 37 6.494 -8.680 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.522 -9.708 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.089 -8.719 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.807 -8.094 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.520 -9.139 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.934 -7.489 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.532 -7.739 1.464 1.00 0.00 H new ATOM 518 N ARG A 38 6.335 -3.734 4.056 1.00 0.00 N ATOM 519 CA ARG A 38 6.042 -2.310 4.051 1.00 0.00 C ATOM 520 C ARG A 38 7.276 -1.516 3.615 1.00 0.00 C ATOM 521 O ARG A 38 7.204 -0.712 2.687 1.00 0.00 O ATOM 522 CB ARG A 38 5.602 -1.834 5.437 1.00 0.00 C ATOM 523 CG ARG A 38 6.649 -2.184 6.496 1.00 0.00 C ATOM 524 CD ARG A 38 6.025 -2.225 7.892 1.00 0.00 C ATOM 525 NE ARG A 38 7.007 -1.764 8.899 1.00 0.00 N ATOM 526 CZ ARG A 38 6.907 -2.009 10.213 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.868 -2.711 10.686 1.00 0.00 N ATOM 528 NH2 ARG A 38 7.845 -1.552 11.053 1.00 0.00 N ATOM 0 H ARG A 38 6.099 -4.215 4.924 1.00 0.00 H new ATOM 0 HA ARG A 38 5.228 -2.141 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.442 -0.756 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.649 -2.294 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.096 -3.151 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.453 -1.448 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.138 -1.593 7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.702 -3.239 8.125 1.00 0.00 H new ATOM 0 HE ARG A 38 7.810 -1.226 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.154 -3.059 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.791 -2.898 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.635 -1.017 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.769 -1.739 12.053 1.00 0.00 H new ATOM 542 N THR A 39 8.378 -1.770 4.305 1.00 0.00 N ATOM 543 CA THR A 39 9.625 -1.089 4.000 1.00 0.00 C ATOM 544 C THR A 39 9.858 -1.054 2.488 1.00 0.00 C ATOM 545 O THR A 39 10.485 -0.129 1.974 1.00 0.00 O ATOM 546 CB THR A 39 10.746 -1.788 4.772 1.00 0.00 C ATOM 547 OG1 THR A 39 10.426 -1.551 6.140 1.00 0.00 O ATOM 548 CG2 THR A 39 12.101 -1.104 4.582 1.00 0.00 C ATOM 0 H THR A 39 8.433 -2.438 5.074 1.00 0.00 H new ATOM 0 HA THR A 39 9.594 -0.046 4.316 1.00 0.00 H new ATOM 0 HB THR A 39 10.815 -2.827 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.839 -2.264 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.862 -1.639 5.151 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.367 -1.110 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.042 -0.074 4.935 1.00 0.00 H new ATOM 556 N GLU A 40 9.340 -2.073 1.818 1.00 0.00 N ATOM 557 CA GLU A 40 9.484 -2.171 0.376 1.00 0.00 C ATOM 558 C GLU A 40 8.331 -1.447 -0.323 1.00 0.00 C ATOM 559 O GLU A 40 8.511 -0.882 -1.400 1.00 0.00 O ATOM 560 CB GLU A 40 9.563 -3.633 -0.070 1.00 0.00 C ATOM 561 CG GLU A 40 10.545 -3.799 -1.231 1.00 0.00 C ATOM 562 CD GLU A 40 10.147 -2.918 -2.416 1.00 0.00 C ATOM 563 OE1 GLU A 40 9.052 -3.166 -2.966 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.946 -2.015 -2.746 1.00 0.00 O ATOM 0 H GLU A 40 8.820 -2.838 2.248 1.00 0.00 H new ATOM 0 HA GLU A 40 10.418 -1.687 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.876 -4.256 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.575 -3.979 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.551 -3.539 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.572 -4.843 -1.543 1.00 0.00 H new ATOM 571 N LEU A 41 7.173 -1.487 0.320 1.00 0.00 N ATOM 572 CA LEU A 41 5.991 -0.842 -0.226 1.00 0.00 C ATOM 573 C LEU A 41 6.110 0.672 -0.040 1.00 0.00 C ATOM 574 O LEU A 41 5.970 1.432 -0.997 1.00 0.00 O ATOM 575 CB LEU A 41 4.723 -1.439 0.387 1.00 0.00 C ATOM 576 CG LEU A 41 3.669 -1.936 -0.605 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.109 -3.245 -1.263 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.301 -2.065 0.069 1.00 0.00 C ATOM 0 H LEU A 41 7.028 -1.956 1.214 1.00 0.00 H new ATOM 0 HA LEU A 41 5.917 -1.027 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.011 -2.272 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.264 -0.686 1.028 1.00 0.00 H new ATOM 0 HG LEU A 41 3.570 -1.195 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.342 -3.576 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.045 -3.086 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.254 -4.007 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.570 -2.420 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.367 -2.775 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.991 -1.093 0.451 1.00 0.00 H new ATOM 590 N MET A 42 6.368 1.065 1.198 1.00 0.00 N ATOM 591 CA MET A 42 6.508 2.475 1.522 1.00 0.00 C ATOM 592 C MET A 42 7.356 3.197 0.474 1.00 0.00 C ATOM 593 O MET A 42 6.923 4.195 -0.100 1.00 0.00 O ATOM 594 CB MET A 42 7.162 2.621 2.898 1.00 0.00 C ATOM 595 CG MET A 42 6.306 1.968 3.984 1.00 0.00 C ATOM 596 SD MET A 42 4.654 2.644 3.948 1.00 0.00 S ATOM 597 CE MET A 42 3.723 1.216 4.476 1.00 0.00 C ATOM 0 H MET A 42 6.484 0.432 1.989 1.00 0.00 H new ATOM 0 HA MET A 42 5.516 2.926 1.532 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.151 2.163 2.885 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.303 3.677 3.127 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.270 0.889 3.831 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.755 2.136 4.963 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.657 1.443 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.937 0.377 3.814 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.005 0.955 5.496 1.00 0.00 H new ATOM 607 N GLN A 43 8.549 2.664 0.255 1.00 0.00 N ATOM 608 CA GLN A 43 9.462 3.245 -0.714 1.00 0.00 C ATOM 609 C GLN A 43 8.883 3.129 -2.125 1.00 0.00 C ATOM 610 O GLN A 43 9.052 4.029 -2.946 1.00 0.00 O ATOM 611 CB GLN A 43 10.841 2.587 -0.632 1.00 0.00 C ATOM 612 CG GLN A 43 10.847 1.235 -1.347 1.00 0.00 C ATOM 613 CD GLN A 43 12.216 0.561 -1.234 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.537 -0.091 -0.253 1.00 0.00 O ATOM 615 NE2 GLN A 43 13.003 0.754 -2.288 1.00 0.00 N ATOM 0 H GLN A 43 8.904 1.836 0.732 1.00 0.00 H new ATOM 0 HA GLN A 43 9.586 4.302 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.588 3.243 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.121 2.451 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.083 0.588 -0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.592 1.374 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.672 1.310 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.937 0.346 -2.308 1.00 0.00 H new ATOM 624 N THR A 44 8.211 2.012 -2.365 1.00 0.00 N ATOM 625 CA THR A 44 7.606 1.766 -3.662 1.00 0.00 C ATOM 626 C THR A 44 6.470 2.759 -3.918 1.00 0.00 C ATOM 627 O THR A 44 6.569 3.605 -4.805 1.00 0.00 O ATOM 628 CB THR A 44 7.156 0.304 -3.705 1.00 0.00 C ATOM 629 OG1 THR A 44 8.373 -0.431 -3.798 1.00 0.00 O ATOM 630 CG2 THR A 44 6.412 -0.042 -4.996 1.00 0.00 C ATOM 0 H THR A 44 8.073 1.267 -1.682 1.00 0.00 H new ATOM 0 HA THR A 44 8.322 1.924 -4.468 1.00 0.00 H new ATOM 0 HB THR A 44 6.513 0.097 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.376 -1.145 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.115 -1.091 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.525 0.585 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.066 0.133 -5.851 1.00 0.00 H new ATOM 638 N LEU A 45 5.418 2.622 -3.124 1.00 0.00 N ATOM 639 CA LEU A 45 4.265 3.497 -3.253 1.00 0.00 C ATOM 640 C LEU A 45 4.724 4.954 -3.174 1.00 0.00 C ATOM 641 O LEU A 45 4.179 5.818 -3.858 1.00 0.00 O ATOM 642 CB LEU A 45 3.197 3.131 -2.220 1.00 0.00 C ATOM 643 CG LEU A 45 2.993 1.636 -1.966 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.730 1.388 -1.141 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.982 0.854 -3.281 1.00 0.00 C ATOM 0 H LEU A 45 5.340 1.919 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 45 3.793 3.364 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.456 3.608 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.247 3.557 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 45 3.836 1.270 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.608 0.318 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.817 1.897 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.863 1.773 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.836 -0.206 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.170 1.215 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.932 0.995 -3.796 1.00 0.00 H new ATOM 657 N GLY A 46 5.722 5.182 -2.333 1.00 0.00 N ATOM 658 CA GLY A 46 6.261 6.520 -2.155 1.00 0.00 C ATOM 659 C GLY A 46 6.742 7.098 -3.487 1.00 0.00 C ATOM 660 O GLY A 46 6.515 8.272 -3.777 1.00 0.00 O ATOM 0 H GLY A 46 6.172 4.462 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.498 7.170 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.089 6.491 -1.447 1.00 0.00 H new ATOM 664 N SER A 47 7.398 6.247 -4.263 1.00 0.00 N ATOM 665 CA SER A 47 7.913 6.660 -5.558 1.00 0.00 C ATOM 666 C SER A 47 6.792 7.283 -6.393 1.00 0.00 C ATOM 667 O SER A 47 6.852 8.462 -6.736 1.00 0.00 O ATOM 668 CB SER A 47 8.537 5.478 -6.304 1.00 0.00 C ATOM 669 OG SER A 47 9.899 5.721 -6.643 1.00 0.00 O ATOM 0 H SER A 47 7.585 5.274 -4.020 1.00 0.00 H new ATOM 0 HA SER A 47 8.692 7.405 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.471 4.583 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.967 5.280 -7.212 1.00 0.00 H new ATOM 0 HG SER A 47 10.262 4.943 -7.116 1.00 0.00 H new ATOM 675 N TYR A 48 5.797 6.462 -6.695 1.00 0.00 N ATOM 676 CA TYR A 48 4.664 6.918 -7.483 1.00 0.00 C ATOM 677 C TYR A 48 4.249 8.334 -7.078 1.00 0.00 C ATOM 678 O TYR A 48 3.955 9.167 -7.934 1.00 0.00 O ATOM 679 CB TYR A 48 3.518 5.954 -7.170 1.00 0.00 C ATOM 680 CG TYR A 48 3.564 4.652 -7.972 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.329 3.594 -7.525 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.840 4.535 -9.141 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.372 2.368 -8.279 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.884 3.309 -9.895 1.00 0.00 C ATOM 685 CZ TYR A 48 3.648 2.286 -9.427 1.00 0.00 C ATOM 686 OH TYR A 48 3.689 1.128 -10.140 1.00 0.00 O ATOM 0 H TYR A 48 5.752 5.484 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 48 4.916 6.937 -8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.538 5.715 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.571 6.456 -7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.895 3.686 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.241 5.363 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.966 1.532 -7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.323 3.204 -10.812 1.00 0.00 H new ATOM 0 HH TYR A 48 2.839 1.004 -10.612 1.00 0.00 H new ATOM 696 N GLY A 49 4.238 8.563 -5.773 1.00 0.00 N ATOM 697 CA GLY A 49 3.864 9.863 -5.244 1.00 0.00 C ATOM 698 C GLY A 49 4.839 10.314 -4.155 1.00 0.00 C ATOM 699 O GLY A 49 6.020 10.529 -4.425 1.00 0.00 O ATOM 0 H GLY A 49 4.482 7.869 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.849 10.597 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.854 9.817 -4.836 1.00 0.00 H new ATOM 703 N THR A 50 4.310 10.444 -2.948 1.00 0.00 N ATOM 704 CA THR A 50 5.119 10.865 -1.817 1.00 0.00 C ATOM 705 C THR A 50 4.401 10.555 -0.502 1.00 0.00 C ATOM 706 O THR A 50 3.249 10.942 -0.314 1.00 0.00 O ATOM 707 CB THR A 50 5.445 12.349 -1.996 1.00 0.00 C ATOM 708 OG1 THR A 50 6.730 12.350 -2.613 1.00 0.00 O ATOM 709 CG2 THR A 50 5.672 13.064 -0.662 1.00 0.00 C ATOM 0 H THR A 50 3.330 10.265 -2.728 1.00 0.00 H new ATOM 0 HA THR A 50 6.058 10.313 -1.775 1.00 0.00 H new ATOM 0 HB THR A 50 4.633 12.836 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.707 11.791 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.900 14.114 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.772 12.990 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.506 12.598 -0.137 1.00 0.00 H new ATOM 717 N ILE A 51 5.112 9.859 0.374 1.00 0.00 N ATOM 718 CA ILE A 51 4.557 9.493 1.665 1.00 0.00 C ATOM 719 C ILE A 51 4.616 10.701 2.602 1.00 0.00 C ATOM 720 O ILE A 51 5.658 10.984 3.191 1.00 0.00 O ATOM 721 CB ILE A 51 5.260 8.251 2.218 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.077 7.055 1.281 1.00 0.00 C ATOM 723 CG2 ILE A 51 4.789 7.942 3.640 1.00 0.00 C ATOM 724 CD1 ILE A 51 3.636 6.544 1.319 1.00 0.00 C ATOM 0 H ILE A 51 6.067 9.539 0.214 1.00 0.00 H new ATOM 0 HA ILE A 51 3.507 9.218 1.564 1.00 0.00 H new ATOM 0 HB ILE A 51 6.329 8.458 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.338 7.343 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.758 6.255 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.304 7.055 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.013 8.788 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.714 7.762 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.533 5.694 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.387 6.234 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.960 7.339 1.006 1.00 0.00 H new ATOM 736 N VAL A 52 3.484 11.380 2.712 1.00 0.00 N ATOM 737 CA VAL A 52 3.393 12.551 3.567 1.00 0.00 C ATOM 738 C VAL A 52 3.109 12.108 5.004 1.00 0.00 C ATOM 739 O VAL A 52 3.387 12.842 5.951 1.00 0.00 O ATOM 740 CB VAL A 52 2.341 13.519 3.021 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.593 13.824 1.543 1.00 0.00 C ATOM 742 CG2 VAL A 52 0.929 12.971 3.236 1.00 0.00 C ATOM 0 H VAL A 52 2.621 11.141 2.223 1.00 0.00 H new ATOM 0 HA VAL A 52 4.339 13.092 3.574 1.00 0.00 H new ATOM 0 HB VAL A 52 2.425 14.454 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.832 14.514 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.578 14.276 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.549 12.899 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.200 13.678 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.827 12.016 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.753 12.828 4.302 1.00 0.00 H new ATOM 752 N LEU A 53 2.559 10.908 5.121 1.00 0.00 N ATOM 753 CA LEU A 53 2.233 10.358 6.425 1.00 0.00 C ATOM 754 C LEU A 53 1.745 8.918 6.260 1.00 0.00 C ATOM 755 O LEU A 53 0.869 8.646 5.439 1.00 0.00 O ATOM 756 CB LEU A 53 1.241 11.264 7.157 1.00 0.00 C ATOM 757 CG LEU A 53 0.220 10.556 8.050 1.00 0.00 C ATOM 758 CD1 LEU A 53 0.906 9.884 9.241 1.00 0.00 C ATOM 759 CD2 LEU A 53 -0.882 11.521 8.494 1.00 0.00 C ATOM 0 H LEU A 53 2.331 10.301 4.333 1.00 0.00 H new ATOM 0 HA LEU A 53 3.121 10.323 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.805 11.967 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.700 11.851 6.415 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.256 9.769 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.158 9.388 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.624 9.148 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.426 10.637 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.595 10.993 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.440 12.345 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.397 11.913 7.617 1.00 0.00 H new ATOM 771 N VAL A 54 2.332 8.032 7.051 1.00 0.00 N ATOM 772 CA VAL A 54 1.967 6.627 7.002 1.00 0.00 C ATOM 773 C VAL A 54 1.524 6.170 8.394 1.00 0.00 C ATOM 774 O VAL A 54 2.066 6.622 9.401 1.00 0.00 O ATOM 775 CB VAL A 54 3.131 5.803 6.446 1.00 0.00 C ATOM 776 CG1 VAL A 54 4.356 5.899 7.358 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.718 4.345 6.233 1.00 0.00 C ATOM 0 H VAL A 54 3.058 8.260 7.730 1.00 0.00 H new ATOM 0 HA VAL A 54 1.125 6.475 6.326 1.00 0.00 H new ATOM 0 HB VAL A 54 3.403 6.219 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.168 5.305 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.671 6.940 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.103 5.521 8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.563 3.782 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.407 3.912 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.890 4.301 5.526 1.00 0.00 H new ATOM 787 N ARG A 55 0.542 5.281 8.405 1.00 0.00 N ATOM 788 CA ARG A 55 0.020 4.758 9.656 1.00 0.00 C ATOM 789 C ARG A 55 -0.457 3.316 9.471 1.00 0.00 C ATOM 790 O ARG A 55 -1.482 3.074 8.836 1.00 0.00 O ATOM 791 CB ARG A 55 -1.144 5.611 10.165 1.00 0.00 C ATOM 792 CG ARG A 55 -1.330 5.439 11.674 1.00 0.00 C ATOM 793 CD ARG A 55 -2.811 5.497 12.054 1.00 0.00 C ATOM 794 NE ARG A 55 -2.952 5.750 13.505 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.105 5.640 14.179 1.00 0.00 C ATOM 796 NH1 ARG A 55 -5.225 5.280 13.536 1.00 0.00 N ATOM 797 NH2 ARG A 55 -4.139 5.889 15.495 1.00 0.00 N ATOM 0 H ARG A 55 0.094 4.909 7.567 1.00 0.00 H new ATOM 0 HA ARG A 55 0.826 4.786 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.959 6.660 9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.061 5.328 9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.907 4.485 11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.784 6.221 12.203 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.309 6.285 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.299 4.559 11.791 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.119 6.026 14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.199 5.090 12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.103 5.196 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.287 6.163 15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.017 5.805 16.007 1.00 0.00 H new ATOM 811 N ILE A 56 0.311 2.396 10.038 1.00 0.00 N ATOM 812 CA ILE A 56 -0.020 0.984 9.944 1.00 0.00 C ATOM 813 C ILE A 56 -0.838 0.574 11.170 1.00 0.00 C ATOM 814 O ILE A 56 -0.492 0.926 12.297 1.00 0.00 O ATOM 815 CB ILE A 56 1.246 0.150 9.741 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.534 -0.057 8.252 1.00 0.00 C ATOM 817 CG2 ILE A 56 1.155 -1.177 10.497 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.656 -1.077 8.047 1.00 0.00 C ATOM 0 H ILE A 56 1.161 2.601 10.564 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.642 0.795 9.069 1.00 0.00 H new ATOM 0 HB ILE A 56 2.089 0.701 10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.630 -0.399 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.814 0.893 7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.068 -1.751 10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.033 -0.981 11.562 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.300 -1.746 10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.841 -1.205 6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.565 -0.721 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.363 -2.032 8.482 1.00 0.00 H new ATOM 830 N ASN A 57 -1.905 -0.166 10.909 1.00 0.00 N ATOM 831 CA ASN A 57 -2.775 -0.628 11.978 1.00 0.00 C ATOM 832 C ASN A 57 -2.553 -2.126 12.197 1.00 0.00 C ATOM 833 O ASN A 57 -2.127 -2.834 11.286 1.00 0.00 O ATOM 834 CB ASN A 57 -4.247 -0.415 11.622 1.00 0.00 C ATOM 835 CG ASN A 57 -5.036 0.093 12.830 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.002 1.262 13.180 1.00 0.00 O ATOM 837 ND2 ASN A 57 -5.746 -0.847 13.447 1.00 0.00 N ATOM 0 H ASN A 57 -2.187 -0.457 9.973 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.536 -0.059 12.877 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.327 0.301 10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.679 -1.352 11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.306 -0.608 14.265 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.730 -1.807 13.102 1.00 0.00 H new ATOM 844 N GLN A 58 -2.854 -2.565 13.411 1.00 0.00 N ATOM 845 CA GLN A 58 -2.693 -3.966 13.761 1.00 0.00 C ATOM 846 C GLN A 58 -2.854 -4.845 12.520 1.00 0.00 C ATOM 847 O GLN A 58 -2.074 -5.772 12.306 1.00 0.00 O ATOM 848 CB GLN A 58 -3.682 -4.374 14.855 1.00 0.00 C ATOM 849 CG GLN A 58 -3.092 -5.469 15.746 1.00 0.00 C ATOM 850 CD GLN A 58 -4.175 -6.452 16.197 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.357 -6.265 15.959 1.00 0.00 O ATOM 852 NE2 GLN A 58 -3.707 -7.507 16.858 1.00 0.00 N ATOM 0 H GLN A 58 -3.208 -1.975 14.164 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.687 -4.109 14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.938 -3.505 15.461 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.607 -4.729 14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.313 -6.004 15.203 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.619 -5.018 16.618 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.705 -7.602 17.023 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.350 -8.221 17.200 1.00 0.00 H new ATOM 861 N GLY A 59 -3.872 -4.524 11.734 1.00 0.00 N ATOM 862 CA GLY A 59 -4.146 -5.274 10.520 1.00 0.00 C ATOM 863 C GLY A 59 -4.595 -4.344 9.391 1.00 0.00 C ATOM 864 O GLY A 59 -5.607 -4.597 8.739 1.00 0.00 O ATOM 0 H GLY A 59 -4.517 -3.755 11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.252 -5.818 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.920 -6.017 10.714 1.00 0.00 H new ATOM 868 N GLN A 60 -3.822 -3.286 9.195 1.00 0.00 N ATOM 869 CA GLN A 60 -4.128 -2.317 8.157 1.00 0.00 C ATOM 870 C GLN A 60 -2.895 -1.466 7.845 1.00 0.00 C ATOM 871 O GLN A 60 -1.905 -1.511 8.573 1.00 0.00 O ATOM 872 CB GLN A 60 -5.313 -1.438 8.560 1.00 0.00 C ATOM 873 CG GLN A 60 -6.085 -0.961 7.328 1.00 0.00 C ATOM 874 CD GLN A 60 -7.544 -1.420 7.383 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.264 -1.172 8.335 1.00 0.00 O ATOM 876 NE2 GLN A 60 -7.937 -2.103 6.311 1.00 0.00 N ATOM 0 H GLN A 60 -2.984 -3.079 9.738 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.410 -2.858 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.979 -1.998 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.956 -0.577 9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.044 0.127 7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.612 -1.348 6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.282 -2.276 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.893 -2.454 6.252 1.00 0.00 H new ATOM 885 N MET A 61 -2.996 -0.710 6.762 1.00 0.00 N ATOM 886 CA MET A 61 -1.902 0.150 6.345 1.00 0.00 C ATOM 887 C MET A 61 -2.427 1.417 5.666 1.00 0.00 C ATOM 888 O MET A 61 -2.648 1.431 4.456 1.00 0.00 O ATOM 889 CB MET A 61 -0.995 -0.610 5.375 1.00 0.00 C ATOM 890 CG MET A 61 -0.031 0.342 4.665 1.00 0.00 C ATOM 891 SD MET A 61 1.231 -0.591 3.814 1.00 0.00 S ATOM 892 CE MET A 61 1.228 0.249 2.239 1.00 0.00 C ATOM 0 H MET A 61 -3.819 -0.675 6.160 1.00 0.00 H new ATOM 0 HA MET A 61 -1.338 0.442 7.231 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.430 -1.367 5.918 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.603 -1.134 4.638 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.577 0.963 3.955 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.428 1.015 5.389 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.082 -0.477 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.419 0.979 2.218 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.181 0.759 2.097 1.00 0.00 H new ATOM 902 N LEU A 62 -2.614 2.449 6.475 1.00 0.00 N ATOM 903 CA LEU A 62 -3.109 3.717 5.968 1.00 0.00 C ATOM 904 C LEU A 62 -1.934 4.552 5.455 1.00 0.00 C ATOM 905 O LEU A 62 -1.068 4.953 6.231 1.00 0.00 O ATOM 906 CB LEU A 62 -3.950 4.428 7.031 1.00 0.00 C ATOM 907 CG LEU A 62 -5.125 3.631 7.600 1.00 0.00 C ATOM 908 CD1 LEU A 62 -6.147 3.305 6.508 1.00 0.00 C ATOM 909 CD2 LEU A 62 -4.637 2.373 8.321 1.00 0.00 C ATOM 0 H LEU A 62 -2.432 2.433 7.478 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.777 3.553 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.295 4.710 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.337 5.352 6.601 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.631 4.251 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.972 2.738 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.529 4.231 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.669 2.713 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.492 1.825 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.093 1.740 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.978 2.656 9.141 1.00 0.00 H new ATOM 921 N VAL A 63 -1.941 4.787 4.151 1.00 0.00 N ATOM 922 CA VAL A 63 -0.886 5.566 3.526 1.00 0.00 C ATOM 923 C VAL A 63 -1.460 6.900 3.044 1.00 0.00 C ATOM 924 O VAL A 63 -2.477 6.929 2.353 1.00 0.00 O ATOM 925 CB VAL A 63 -0.233 4.756 2.404 1.00 0.00 C ATOM 926 CG1 VAL A 63 0.874 5.561 1.719 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.305 3.424 2.931 1.00 0.00 C ATOM 0 H VAL A 63 -2.660 4.452 3.510 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.100 5.792 4.246 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.999 4.538 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.322 4.962 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.452 6.471 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.638 5.824 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.764 2.868 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.050 3.613 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.515 2.841 3.351 1.00 0.00 H new ATOM 937 N THR A 64 -0.782 7.972 3.427 1.00 0.00 N ATOM 938 CA THR A 64 -1.212 9.306 3.043 1.00 0.00 C ATOM 939 C THR A 64 -0.298 9.867 1.952 1.00 0.00 C ATOM 940 O THR A 64 0.921 9.896 2.112 1.00 0.00 O ATOM 941 CB THR A 64 -1.255 10.171 4.304 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.898 9.344 5.271 1.00 0.00 O ATOM 943 CG2 THR A 64 -2.191 11.372 4.160 1.00 0.00 C ATOM 0 H THR A 64 0.062 7.944 3.999 1.00 0.00 H new ATOM 0 HA THR A 64 -2.212 9.290 2.609 1.00 0.00 H new ATOM 0 HB THR A 64 -0.249 10.521 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.229 8.790 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.184 11.952 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.854 11.999 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.204 11.022 3.959 1.00 0.00 H new ATOM 951 N PHE A 65 -0.923 10.300 0.866 1.00 0.00 N ATOM 952 CA PHE A 65 -0.181 10.859 -0.251 1.00 0.00 C ATOM 953 C PHE A 65 -0.434 12.362 -0.380 1.00 0.00 C ATOM 954 O PHE A 65 -1.447 12.868 0.100 1.00 0.00 O ATOM 955 CB PHE A 65 -0.682 10.158 -1.515 1.00 0.00 C ATOM 956 CG PHE A 65 -0.187 8.718 -1.667 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.040 8.473 -2.201 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.974 7.684 -1.267 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.499 7.137 -2.341 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.515 6.347 -1.408 1.00 0.00 C ATOM 961 CZ PHE A 65 0.712 6.102 -1.942 1.00 0.00 C ATOM 0 H PHE A 65 -1.934 10.275 0.736 1.00 0.00 H new ATOM 0 HA PHE A 65 0.888 10.710 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.772 10.158 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.367 10.733 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.665 9.295 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.948 7.879 -0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.473 6.942 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.140 5.525 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.061 5.086 -2.049 1.00 0.00 H new ATOM 971 N ALA A 66 0.503 13.034 -1.032 1.00 0.00 N ATOM 972 CA ALA A 66 0.394 14.469 -1.231 1.00 0.00 C ATOM 973 C ALA A 66 -0.449 14.744 -2.478 1.00 0.00 C ATOM 974 O ALA A 66 -1.168 15.741 -2.537 1.00 0.00 O ATOM 975 CB ALA A 66 1.794 15.079 -1.328 1.00 0.00 C ATOM 0 H ALA A 66 1.342 12.611 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.108 14.937 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.712 16.156 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.342 14.881 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.327 14.635 -2.169 1.00 0.00 H new ATOM 981 N ASP A 67 -0.333 13.844 -3.442 1.00 0.00 N ATOM 982 CA ASP A 67 -1.076 13.977 -4.684 1.00 0.00 C ATOM 983 C ASP A 67 -2.226 12.967 -4.696 1.00 0.00 C ATOM 984 O ASP A 67 -2.006 11.769 -4.529 1.00 0.00 O ATOM 985 CB ASP A 67 -0.183 13.691 -5.893 1.00 0.00 C ATOM 986 CG ASP A 67 0.922 14.720 -6.138 1.00 0.00 C ATOM 987 OD1 ASP A 67 0.840 15.800 -5.515 1.00 0.00 O ATOM 988 OD2 ASP A 67 1.825 14.402 -6.942 1.00 0.00 O ATOM 0 H ASP A 67 0.264 13.019 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.450 14.999 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.276 12.711 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.809 13.634 -6.783 1.00 0.00 H new ATOM 993 N SER A 68 -3.427 13.489 -4.895 1.00 0.00 N ATOM 994 CA SER A 68 -4.612 12.649 -4.931 1.00 0.00 C ATOM 995 C SER A 68 -4.542 11.698 -6.128 1.00 0.00 C ATOM 996 O SER A 68 -5.033 10.572 -6.060 1.00 0.00 O ATOM 997 CB SER A 68 -5.885 13.494 -4.998 1.00 0.00 C ATOM 998 OG SER A 68 -6.206 13.872 -6.335 1.00 0.00 O ATOM 0 H SER A 68 -3.605 14.484 -5.033 1.00 0.00 H new ATOM 0 HA SER A 68 -4.645 12.065 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.716 12.932 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.758 14.389 -4.389 1.00 0.00 H new ATOM 0 HG SER A 68 -7.026 14.409 -6.335 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.929 12.186 -7.196 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.789 11.394 -8.406 1.00 0.00 C ATOM 1006 C HIS A 69 -2.825 10.234 -8.151 1.00 0.00 C ATOM 1007 O HIS A 69 -3.102 9.096 -8.529 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.363 12.271 -9.584 1.00 0.00 C ATOM 1009 CG HIS A 69 -2.129 13.101 -9.317 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.188 14.428 -8.930 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -0.806 12.778 -9.384 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -0.950 14.874 -8.775 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -0.095 13.850 -9.058 1.00 0.00 N ATOM 0 H HIS A 69 -3.523 13.120 -7.249 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.754 10.966 -8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.180 11.635 -10.450 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.186 12.936 -9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.405 11.813 -9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.668 15.873 -8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.923 13.900 -9.025 1.00 0.00 H new ATOM 1021 N SER A 70 -1.711 10.562 -7.512 1.00 0.00 N ATOM 1022 CA SER A 70 -0.704 9.561 -7.202 1.00 0.00 C ATOM 1023 C SER A 70 -1.374 8.284 -6.693 1.00 0.00 C ATOM 1024 O SER A 70 -1.030 7.184 -7.123 1.00 0.00 O ATOM 1025 CB SER A 70 0.293 10.086 -6.167 1.00 0.00 C ATOM 1026 OG SER A 70 0.880 9.032 -5.408 1.00 0.00 O ATOM 0 H SER A 70 -1.484 11.506 -7.201 1.00 0.00 H new ATOM 0 HA SER A 70 -0.154 9.335 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.078 10.649 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.213 10.778 -5.495 1.00 0.00 H new ATOM 0 HG SER A 70 0.733 9.195 -4.453 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.320 8.472 -5.784 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.042 7.348 -5.212 1.00 0.00 C ATOM 1034 C ALA A 71 -3.848 6.653 -6.310 1.00 0.00 C ATOM 1035 O ALA A 71 -3.932 5.426 -6.342 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.924 7.840 -4.063 1.00 0.00 C ATOM 0 H ALA A 71 -2.603 9.386 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.348 6.615 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.466 6.997 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.300 8.299 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.636 8.575 -4.439 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.422 7.467 -7.184 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.219 6.945 -8.281 1.00 0.00 C ATOM 1044 C LEU A 72 -4.456 5.810 -8.966 1.00 0.00 C ATOM 1045 O LEU A 72 -4.994 4.720 -9.156 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.626 8.073 -9.231 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.092 7.971 -10.661 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -5.728 6.794 -11.402 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -5.281 9.291 -11.413 1.00 0.00 C ATOM 0 H LEU A 72 -4.351 8.484 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.151 6.522 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.715 8.111 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.290 9.019 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.020 7.779 -10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.331 6.745 -12.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.499 5.867 -10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.809 6.930 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.893 9.191 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.342 9.538 -11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.743 10.085 -10.895 1.00 0.00 H new ATOM 1061 N SER A 73 -3.213 6.104 -9.319 1.00 0.00 N ATOM 1062 CA SER A 73 -2.370 5.121 -9.978 1.00 0.00 C ATOM 1063 C SER A 73 -2.033 3.986 -9.009 1.00 0.00 C ATOM 1064 O SER A 73 -2.309 2.822 -9.292 1.00 0.00 O ATOM 1065 CB SER A 73 -1.087 5.764 -10.510 1.00 0.00 C ATOM 1066 OG SER A 73 -1.073 7.175 -10.308 1.00 0.00 O ATOM 0 H SER A 73 -2.770 7.009 -9.161 1.00 0.00 H new ATOM 0 HA SER A 73 -2.919 4.714 -10.827 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.225 5.318 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.988 5.549 -11.574 1.00 0.00 H new ATOM 0 HG SER A 73 -0.237 7.547 -10.659 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.440 4.366 -7.887 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.062 3.394 -6.875 1.00 0.00 C ATOM 1074 C VAL A 74 -2.252 2.479 -6.583 1.00 0.00 C ATOM 1075 O VAL A 74 -2.073 1.331 -6.179 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.540 4.113 -5.628 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.094 3.109 -4.564 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.594 5.075 -5.985 1.00 0.00 C ATOM 0 H VAL A 74 -1.212 5.333 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.249 2.764 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.358 4.701 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.272 3.645 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.939 2.482 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.703 2.483 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.947 5.573 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.415 4.518 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.230 5.821 -6.691 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.442 3.021 -6.799 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.662 2.268 -6.564 1.00 0.00 C ATOM 1090 C LEU A 75 -4.808 1.193 -7.644 1.00 0.00 C ATOM 1091 O LEU A 75 -4.816 0.001 -7.341 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.863 3.210 -6.468 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.041 3.936 -5.133 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.940 5.163 -5.292 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.558 2.982 -4.054 1.00 0.00 C ATOM 0 H LEU A 75 -3.587 3.973 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.613 1.753 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.777 3.957 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.767 2.636 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.064 4.293 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.050 5.661 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.492 5.852 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.920 4.852 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.676 3.524 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.521 2.574 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.846 2.168 -3.916 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.920 1.654 -8.881 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.066 0.747 -10.007 1.00 0.00 C ATOM 1109 C ASP A 76 -3.825 -0.142 -10.104 1.00 0.00 C ATOM 1110 O ASP A 76 -3.874 -1.221 -10.692 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.200 1.518 -11.322 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.294 2.587 -11.336 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.478 2.187 -11.364 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -5.922 3.780 -11.319 1.00 0.00 O ATOM 0 H ASP A 76 -4.913 2.644 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.964 0.151 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.245 1.994 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.397 0.807 -12.124 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.740 0.345 -9.519 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.488 -0.392 -9.532 1.00 0.00 C ATOM 1121 C VAL A 77 -1.511 -1.449 -8.426 1.00 0.00 C ATOM 1122 O VAL A 77 -0.639 -2.315 -8.371 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.310 0.576 -9.409 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.943 -0.146 -8.908 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -0.040 1.284 -10.738 1.00 0.00 C ATOM 0 H VAL A 77 -2.702 1.241 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.364 -0.916 -10.480 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.576 1.335 -8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.766 0.565 -8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.745 -0.581 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.212 -0.936 -9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.802 1.966 -10.622 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.195 0.544 -11.503 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.924 1.847 -11.037 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.519 -1.344 -7.572 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.667 -2.280 -6.471 1.00 0.00 C ATOM 1137 C ASP A 78 -2.407 -3.700 -6.976 1.00 0.00 C ATOM 1138 O ASP A 78 -1.852 -4.527 -6.254 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.085 -2.234 -5.896 1.00 0.00 C ATOM 1140 CG ASP A 78 -5.195 -2.587 -6.887 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.903 -2.556 -8.102 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -6.312 -2.879 -6.408 1.00 0.00 O ATOM 0 H ASP A 78 -3.241 -0.625 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.954 -2.003 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.141 -2.920 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.271 -1.233 -5.506 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.821 -3.940 -8.211 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.640 -5.246 -8.821 1.00 0.00 C ATOM 1149 C GLY A 79 -1.201 -5.737 -8.648 1.00 0.00 C ATOM 1150 O GLY A 79 -0.939 -6.937 -8.715 1.00 0.00 O ATOM 0 H GLY A 79 -3.282 -3.252 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.329 -5.961 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.885 -5.193 -9.882 1.00 0.00 H new ATOM 1154 N MET A 80 -0.307 -4.785 -8.428 1.00 0.00 N ATOM 1155 CA MET A 80 1.098 -5.105 -8.245 1.00 0.00 C ATOM 1156 C MET A 80 1.271 -6.288 -7.290 1.00 0.00 C ATOM 1157 O MET A 80 0.323 -6.692 -6.618 1.00 0.00 O ATOM 1158 CB MET A 80 1.831 -3.885 -7.683 1.00 0.00 C ATOM 1159 CG MET A 80 1.516 -3.691 -6.199 1.00 0.00 C ATOM 1160 SD MET A 80 0.926 -2.031 -5.912 1.00 0.00 S ATOM 1161 CE MET A 80 2.168 -1.453 -4.769 1.00 0.00 C ATOM 0 H MET A 80 -0.529 -3.791 -8.372 1.00 0.00 H new ATOM 0 HA MET A 80 1.518 -5.378 -9.213 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.906 -4.009 -7.817 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.541 -2.994 -8.239 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.764 -4.413 -5.881 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.409 -3.877 -5.602 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.684 -1.056 -3.876 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.820 -2.281 -4.491 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.759 -0.668 -5.240 1.00 0.00 H new ATOM 1171 N LYS A 81 2.488 -6.811 -7.260 1.00 0.00 N ATOM 1172 CA LYS A 81 2.796 -7.940 -6.399 1.00 0.00 C ATOM 1173 C LYS A 81 4.130 -7.688 -5.694 1.00 0.00 C ATOM 1174 O LYS A 81 5.136 -7.403 -6.343 1.00 0.00 O ATOM 1175 CB LYS A 81 2.759 -9.247 -7.194 1.00 0.00 C ATOM 1176 CG LYS A 81 1.340 -9.818 -7.243 1.00 0.00 C ATOM 1177 CD LYS A 81 0.986 -10.286 -8.656 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.372 -10.990 -8.676 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.845 -11.165 -10.068 1.00 0.00 N ATOM 0 H LYS A 81 3.272 -6.474 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 81 2.038 -8.045 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.119 -9.071 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.432 -9.973 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.256 -10.653 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.628 -9.060 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.966 -9.431 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.757 -10.964 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.292 -11.961 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.099 -10.408 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.768 -11.644 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.941 -10.234 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.159 -11.740 -10.598 1.00 0.00 H new ATOM 1193 N VAL A 82 4.096 -7.802 -4.374 1.00 0.00 N ATOM 1194 CA VAL A 82 5.290 -7.590 -3.574 1.00 0.00 C ATOM 1195 C VAL A 82 5.743 -8.925 -2.978 1.00 0.00 C ATOM 1196 O VAL A 82 4.999 -9.561 -2.233 1.00 0.00 O ATOM 1197 CB VAL A 82 5.025 -6.521 -2.512 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.658 -6.726 -1.856 1.00 0.00 C ATOM 1199 CG2 VAL A 82 6.139 -6.502 -1.463 1.00 0.00 C ATOM 0 H VAL A 82 3.260 -8.038 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 82 6.105 -7.218 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 82 5.016 -5.551 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.495 -5.953 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.878 -6.665 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.626 -7.706 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.926 -5.733 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.194 -7.474 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.091 -6.285 -1.947 1.00 0.00 H new ATOM 1209 N LYS A 83 6.962 -9.309 -3.328 1.00 0.00 N ATOM 1210 CA LYS A 83 7.523 -10.556 -2.838 1.00 0.00 C ATOM 1211 C LYS A 83 6.607 -11.715 -3.237 1.00 0.00 C ATOM 1212 O LYS A 83 6.408 -12.649 -2.462 1.00 0.00 O ATOM 1213 CB LYS A 83 7.786 -10.470 -1.333 1.00 0.00 C ATOM 1214 CG LYS A 83 9.283 -10.345 -1.044 1.00 0.00 C ATOM 1215 CD LYS A 83 9.526 -9.847 0.382 1.00 0.00 C ATOM 1216 CE LYS A 83 10.823 -10.427 0.951 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.996 -9.852 0.256 1.00 0.00 N ATOM 0 H LYS A 83 7.577 -8.778 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 83 8.493 -10.744 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.259 -9.612 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.390 -11.358 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.766 -11.312 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.738 -9.657 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.577 -8.758 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.687 -10.130 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.885 -10.215 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.823 -11.511 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.868 -10.256 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.942 -10.075 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.003 -8.820 0.383 1.00 0.00 H new ATOM 1231 N GLY A 84 6.072 -11.615 -4.445 1.00 0.00 N ATOM 1232 CA GLY A 84 5.181 -12.643 -4.956 1.00 0.00 C ATOM 1233 C GLY A 84 3.843 -12.627 -4.216 1.00 0.00 C ATOM 1234 O GLY A 84 3.024 -13.529 -4.385 1.00 0.00 O ATOM 0 H GLY A 84 6.238 -10.838 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.013 -12.487 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.649 -13.621 -4.847 1.00 0.00 H new ATOM 1238 N ARG A 85 3.661 -11.590 -3.410 1.00 0.00 N ATOM 1239 CA ARG A 85 2.436 -11.444 -2.643 1.00 0.00 C ATOM 1240 C ARG A 85 1.544 -10.369 -3.267 1.00 0.00 C ATOM 1241 O ARG A 85 1.988 -9.245 -3.497 1.00 0.00 O ATOM 1242 CB ARG A 85 2.737 -11.068 -1.191 1.00 0.00 C ATOM 1243 CG ARG A 85 2.183 -12.118 -0.226 1.00 0.00 C ATOM 1244 CD ARG A 85 0.654 -12.161 -0.282 1.00 0.00 C ATOM 1245 NE ARG A 85 0.209 -13.328 -1.076 1.00 0.00 N ATOM 1246 CZ ARG A 85 0.508 -14.599 -0.775 1.00 0.00 C ATOM 1247 NH1 ARG A 85 1.255 -14.875 0.303 1.00 0.00 N ATOM 1248 NH2 ARG A 85 0.061 -15.595 -1.553 1.00 0.00 N ATOM 0 H ARG A 85 4.342 -10.843 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 85 1.919 -12.403 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.814 -10.974 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.300 -10.095 -0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.588 -13.098 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.507 -11.891 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.247 -12.221 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.272 -11.242 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.361 -13.154 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.596 -14.117 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.482 -15.843 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.507 -15.385 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.289 -16.563 -1.324 1.00 0.00 H new ATOM 1262 N ALA A 86 0.302 -10.752 -3.524 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.656 -9.834 -4.117 1.00 0.00 C ATOM 1264 C ALA A 86 -1.134 -8.844 -3.053 1.00 0.00 C ATOM 1265 O ALA A 86 -1.639 -9.247 -2.006 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.810 -10.629 -4.733 1.00 0.00 C ATOM 0 H ALA A 86 -0.063 -11.685 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.191 -9.259 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.529 -9.941 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.422 -11.296 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.302 -11.216 -3.958 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.956 -7.567 -3.357 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.362 -6.516 -2.439 1.00 0.00 C ATOM 1274 C VAL A 87 -2.646 -5.862 -2.955 1.00 0.00 C ATOM 1275 O VAL A 87 -3.016 -6.042 -4.114 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.218 -5.517 -2.248 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.434 -5.168 -3.587 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.705 -4.257 -1.529 1.00 0.00 C ATOM 0 H VAL A 87 -0.536 -7.236 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.581 -6.932 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 87 0.538 -5.989 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.243 -4.457 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.833 -6.073 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.310 -4.725 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.127 -3.564 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.489 -3.782 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.100 -4.527 -0.550 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.290 -5.117 -2.069 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.524 -4.436 -2.420 1.00 0.00 C ATOM 1290 C LYS A 88 -4.549 -3.059 -1.754 1.00 0.00 C ATOM 1291 O LYS A 88 -4.283 -2.939 -0.559 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.734 -5.308 -2.077 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.820 -5.185 -3.147 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.900 -6.252 -2.957 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.214 -5.824 -3.613 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.935 -7.002 -4.146 1.00 0.00 N ATOM 0 H LYS A 88 -2.980 -4.970 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.575 -4.271 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.423 -6.349 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.137 -5.012 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.271 -4.194 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.374 -5.286 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.564 -7.195 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.060 -6.427 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.839 -5.306 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.012 -5.118 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.825 -6.694 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.343 -7.479 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.144 -7.661 -3.370 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.872 -2.055 -2.555 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.936 -0.691 -2.058 1.00 0.00 C ATOM 1312 C ILE A 89 -6.317 -0.106 -2.359 1.00 0.00 C ATOM 1313 O ILE A 89 -6.696 0.033 -3.521 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.781 0.140 -2.622 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.430 -0.436 -2.190 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.926 1.613 -2.236 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.769 -1.203 -3.337 1.00 0.00 C ATOM 0 H ILE A 89 -5.092 -2.159 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.812 -0.675 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.821 0.087 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.775 0.371 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.570 -1.100 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.093 2.181 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.863 2.003 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.926 1.706 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.811 -1.602 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.416 -2.024 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.609 -0.530 -4.180 1.00 0.00 H new ATOM 1329 N SER A 90 -7.032 0.219 -1.292 1.00 0.00 N ATOM 1330 CA SER A 90 -8.364 0.785 -1.427 1.00 0.00 C ATOM 1331 C SER A 90 -8.362 2.243 -0.963 1.00 0.00 C ATOM 1332 O SER A 90 -7.307 2.804 -0.671 1.00 0.00 O ATOM 1333 CB SER A 90 -9.390 -0.025 -0.632 1.00 0.00 C ATOM 1334 OG SER A 90 -10.671 -0.021 -1.255 1.00 0.00 O ATOM 0 H SER A 90 -6.714 0.101 -0.330 1.00 0.00 H new ATOM 0 HA SER A 90 -8.648 0.746 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.040 -1.052 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.475 0.385 0.374 1.00 0.00 H new ATOM 0 HG SER A 90 -11.297 -0.550 -0.718 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.556 2.814 -0.909 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.706 4.196 -0.485 1.00 0.00 C ATOM 1342 C GLY A 91 -10.842 4.338 0.531 1.00 0.00 C ATOM 1343 O GLY A 91 -11.989 4.009 0.234 1.00 0.00 O ATOM 0 H GLY A 91 -10.429 2.345 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.773 4.548 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.907 4.826 -1.351 1.00 0.00 H new