USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 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 160:sc= -9.77! (180deg=-4.44!) USER MOD Set 1.2: A 61 MET CE :methyl -169:sc= -18.4! (180deg=-10.6!) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.909! USER MOD Set 2.2: A 64 THR OG1 : rot -100:sc= 1.22 USER MOD Single : A 21 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.044) USER MOD Single : A 23 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.42) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 92:sc= 0.031 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 0.564 (180deg=0.0902) USER MOD Single : A 31 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00269 USER MOD Single : A 43 GLN : amide:sc= -2.43 K(o=-2.4,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 111:sc= 0.921 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 71:sc= 0.151 USER MOD Single : A 50 THR OG1 : rot 41:sc= 0.427 USER MOD Single : A 57 ASN : amide:sc= -0.616 K(o=-0.62,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0762 K(o=-0.076,f=-0.81) USER MOD Single : A 60 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.38) USER MOD Single : A 68 SER OG : rot 180:sc= -0.15 USER MOD Single : A 69 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-1.7) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00177 USER MOD Single : A 73 SER OG : rot 180:sc= 0.105 USER MOD Single : A 80 MET CE :methyl 163:sc= -3.56! (180deg=-4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00681) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc=6.52e-05 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.027 12.372 0.926 1.00 0.00 N ATOM 178 CA ALA A 16 -4.270 11.517 0.028 1.00 0.00 C ATOM 179 C ALA A 16 -3.866 10.239 0.766 1.00 0.00 C ATOM 180 O ALA A 16 -2.729 9.783 0.649 1.00 0.00 O ATOM 181 CB ALA A 16 -3.061 12.286 -0.511 1.00 0.00 C ATOM 0 HA ALA A 16 -4.879 11.225 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.493 11.645 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.403 13.168 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.425 12.593 0.320 1.00 0.00 H new ATOM 187 N THR A 17 -4.819 9.698 1.510 1.00 0.00 N ATOM 188 CA THR A 17 -4.577 8.482 2.268 1.00 0.00 C ATOM 189 C THR A 17 -5.286 7.295 1.612 1.00 0.00 C ATOM 190 O THR A 17 -6.342 7.458 1.002 1.00 0.00 O ATOM 191 CB THR A 17 -5.016 8.729 3.712 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.159 9.775 4.162 1.00 0.00 O ATOM 193 CG2 THR A 17 -4.685 7.554 4.634 1.00 0.00 C ATOM 0 H THR A 17 -5.760 10.079 1.604 1.00 0.00 H new ATOM 0 HA THR A 17 -3.518 8.225 2.275 1.00 0.00 H new ATOM 0 HB THR A 17 -6.089 8.919 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.376 9.999 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.018 7.781 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.193 6.658 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.608 7.385 4.635 1.00 0.00 H new ATOM 201 N VAL A 18 -4.676 6.128 1.759 1.00 0.00 N ATOM 202 CA VAL A 18 -5.236 4.914 1.188 1.00 0.00 C ATOM 203 C VAL A 18 -4.902 3.728 2.095 1.00 0.00 C ATOM 204 O VAL A 18 -3.864 3.720 2.755 1.00 0.00 O ATOM 205 CB VAL A 18 -4.734 4.730 -0.245 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.281 5.826 -1.162 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.205 4.690 -0.290 1.00 0.00 C ATOM 0 H VAL A 18 -3.800 5.997 2.265 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.322 4.984 1.131 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.105 3.772 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.909 5.672 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.370 5.787 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.954 6.801 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.875 4.558 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.805 5.625 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.845 3.858 0.316 1.00 0.00 H new ATOM 217 N VAL A 19 -5.801 2.755 2.099 1.00 0.00 N ATOM 218 CA VAL A 19 -5.615 1.567 2.914 1.00 0.00 C ATOM 219 C VAL A 19 -5.039 0.445 2.048 1.00 0.00 C ATOM 220 O VAL A 19 -5.552 0.167 0.965 1.00 0.00 O ATOM 221 CB VAL A 19 -6.933 1.184 3.590 1.00 0.00 C ATOM 222 CG1 VAL A 19 -8.100 1.273 2.605 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.845 -0.211 4.212 1.00 0.00 C ATOM 0 H VAL A 19 -6.661 2.765 1.550 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.900 1.761 3.713 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.118 1.897 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.025 0.996 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.183 2.293 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.925 0.593 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.795 -0.459 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.626 -0.943 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.052 -0.227 4.959 1.00 0.00 H new ATOM 233 N VAL A 20 -3.981 -0.169 2.558 1.00 0.00 N ATOM 234 CA VAL A 20 -3.331 -1.255 1.844 1.00 0.00 C ATOM 235 C VAL A 20 -3.536 -2.561 2.615 1.00 0.00 C ATOM 236 O VAL A 20 -3.397 -2.593 3.837 1.00 0.00 O ATOM 237 CB VAL A 20 -1.855 -0.921 1.616 1.00 0.00 C ATOM 238 CG1 VAL A 20 -1.105 -2.121 1.035 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.704 0.308 0.717 1.00 0.00 C ATOM 0 H VAL A 20 -3.558 0.065 3.456 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.777 -1.386 0.858 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.411 -0.685 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.059 -1.857 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.170 -2.961 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.551 -2.402 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.646 0.524 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.171 0.112 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.187 1.164 1.187 1.00 0.00 H new ATOM 249 N ASN A 21 -3.862 -3.606 1.869 1.00 0.00 N ATOM 250 CA ASN A 21 -4.087 -4.911 2.467 1.00 0.00 C ATOM 251 C ASN A 21 -3.463 -5.989 1.578 1.00 0.00 C ATOM 252 O ASN A 21 -3.229 -5.761 0.392 1.00 0.00 O ATOM 253 CB ASN A 21 -5.583 -5.209 2.591 1.00 0.00 C ATOM 254 CG ASN A 21 -6.126 -4.733 3.940 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.020 -5.405 4.953 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.712 -3.540 3.897 1.00 0.00 N ATOM 0 H ASN A 21 -3.976 -3.576 0.856 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.635 -4.910 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.124 -4.717 1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.754 -6.280 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.107 -3.135 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.767 -3.030 3.015 1.00 0.00 H new ATOM 263 N LEU A 22 -3.212 -7.139 2.185 1.00 0.00 N ATOM 264 CA LEU A 22 -2.620 -8.253 1.464 1.00 0.00 C ATOM 265 C LEU A 22 -3.725 -9.213 1.020 1.00 0.00 C ATOM 266 O LEU A 22 -4.727 -9.375 1.715 1.00 0.00 O ATOM 267 CB LEU A 22 -1.529 -8.917 2.306 1.00 0.00 C ATOM 268 CG LEU A 22 -0.269 -8.084 2.551 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.918 -8.978 2.914 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.036 -7.186 1.350 1.00 0.00 C ATOM 0 H LEU A 22 -3.408 -7.324 3.169 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.122 -7.901 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.956 -9.185 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.236 -9.847 1.818 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.452 -7.431 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.800 -8.361 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.688 -9.538 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.113 -9.673 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.936 -6.605 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.191 -7.803 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.802 -6.510 1.179 1.00 0.00 H new ATOM 282 N GLN A 23 -3.504 -9.826 -0.134 1.00 0.00 N ATOM 283 CA GLN A 23 -4.469 -10.766 -0.678 1.00 0.00 C ATOM 284 C GLN A 23 -4.362 -12.113 0.041 1.00 0.00 C ATOM 285 O GLN A 23 -5.364 -12.653 0.506 1.00 0.00 O ATOM 286 CB GLN A 23 -4.280 -10.934 -2.187 1.00 0.00 C ATOM 287 CG GLN A 23 -4.876 -9.749 -2.949 1.00 0.00 C ATOM 288 CD GLN A 23 -5.495 -10.204 -4.273 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.315 -11.105 -4.327 1.00 0.00 O ATOM 290 NE2 GLN A 23 -5.057 -9.532 -5.334 1.00 0.00 N ATOM 0 H GLN A 23 -2.671 -9.690 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.469 -10.366 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.218 -11.022 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.755 -11.858 -2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.635 -9.263 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.100 -9.008 -3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.369 -8.788 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.409 -9.761 -6.264 1.00 0.00 H new ATOM 299 N SER A 24 -3.138 -12.615 0.110 1.00 0.00 N ATOM 300 CA SER A 24 -2.887 -13.888 0.764 1.00 0.00 C ATOM 301 C SER A 24 -1.755 -13.738 1.783 1.00 0.00 C ATOM 302 O SER A 24 -0.659 -14.257 1.579 1.00 0.00 O ATOM 303 CB SER A 24 -2.542 -14.974 -0.257 1.00 0.00 C ATOM 304 OG SER A 24 -3.221 -16.197 0.015 1.00 0.00 O ATOM 0 H SER A 24 -2.309 -12.163 -0.276 1.00 0.00 H new ATOM 0 HA SER A 24 -3.797 -14.191 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.804 -14.628 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.466 -15.148 -0.252 1.00 0.00 H new ATOM 0 HG SER A 24 -2.976 -16.864 -0.660 1.00 0.00 H new ATOM 310 N PRO A 25 -2.068 -13.008 2.887 1.00 0.00 N ATOM 311 CA PRO A 25 -1.090 -12.783 3.937 1.00 0.00 C ATOM 312 C PRO A 25 -0.896 -14.043 4.784 1.00 0.00 C ATOM 313 O PRO A 25 -1.764 -14.913 4.816 1.00 0.00 O ATOM 314 CB PRO A 25 -1.632 -11.609 4.736 1.00 0.00 C ATOM 315 CG PRO A 25 -3.110 -11.518 4.391 1.00 0.00 C ATOM 316 CD PRO A 25 -3.356 -12.378 3.162 1.00 0.00 C ATOM 0 HA PRO A 25 -0.098 -12.557 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.489 -11.765 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.113 -10.687 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.719 -11.863 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.393 -10.484 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.130 -13.123 3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.691 -11.775 2.318 1.00 0.00 H new ATOM 324 N THR A 26 0.249 -14.100 5.449 1.00 0.00 N ATOM 325 CA THR A 26 0.568 -15.239 6.293 1.00 0.00 C ATOM 326 C THR A 26 0.289 -14.909 7.761 1.00 0.00 C ATOM 327 O THR A 26 -0.301 -13.874 8.067 1.00 0.00 O ATOM 328 CB THR A 26 2.021 -15.634 6.024 1.00 0.00 C ATOM 329 OG1 THR A 26 2.189 -15.412 4.627 1.00 0.00 O ATOM 330 CG2 THR A 26 2.260 -17.136 6.194 1.00 0.00 C ATOM 0 H THR A 26 0.967 -13.376 5.420 1.00 0.00 H new ATOM 0 HA THR A 26 -0.065 -16.095 6.059 1.00 0.00 H new ATOM 0 HB THR A 26 2.677 -15.083 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.525 -14.503 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.307 -17.363 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.016 -17.430 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.628 -17.686 5.497 1.00 0.00 H new ATOM 338 N LEU A 27 0.728 -15.808 8.630 1.00 0.00 N ATOM 339 CA LEU A 27 0.533 -15.625 10.058 1.00 0.00 C ATOM 340 C LEU A 27 1.249 -14.350 10.507 1.00 0.00 C ATOM 341 O LEU A 27 0.708 -13.573 11.292 1.00 0.00 O ATOM 342 CB LEU A 27 0.969 -16.877 10.822 1.00 0.00 C ATOM 343 CG LEU A 27 -0.035 -18.032 10.845 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.683 -19.383 10.804 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.974 -17.919 12.047 1.00 0.00 C ATOM 0 H LEU A 27 1.218 -16.665 8.373 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.525 -15.493 10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.900 -17.239 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.189 -16.592 11.851 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.651 -17.967 9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.053 -20.187 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.275 -19.453 9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.339 -19.473 11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.677 -18.752 12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.391 -17.945 12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.524 -16.980 11.992 1.00 0.00 H new ATOM 357 N GLU A 28 2.456 -14.174 9.990 1.00 0.00 N ATOM 358 CA GLU A 28 3.253 -13.007 10.328 1.00 0.00 C ATOM 359 C GLU A 28 2.502 -11.726 9.955 1.00 0.00 C ATOM 360 O GLU A 28 2.485 -10.767 10.724 1.00 0.00 O ATOM 361 CB GLU A 28 4.620 -13.059 9.644 1.00 0.00 C ATOM 362 CG GLU A 28 4.473 -13.067 8.121 1.00 0.00 C ATOM 363 CD GLU A 28 5.833 -13.221 7.439 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.567 -14.151 7.838 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.110 -12.404 6.534 1.00 0.00 O ATOM 0 H GLU A 28 2.902 -14.821 9.339 1.00 0.00 H new ATOM 0 HA GLU A 28 3.422 -13.006 11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.217 -12.200 9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.157 -13.951 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.817 -13.884 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.001 -12.141 7.793 1.00 0.00 H new ATOM 372 N GLU A 29 1.900 -11.754 8.775 1.00 0.00 N ATOM 373 CA GLU A 29 1.150 -10.607 8.290 1.00 0.00 C ATOM 374 C GLU A 29 -0.184 -10.495 9.030 1.00 0.00 C ATOM 375 O GLU A 29 -0.524 -9.433 9.548 1.00 0.00 O ATOM 376 CB GLU A 29 0.933 -10.693 6.778 1.00 0.00 C ATOM 377 CG GLU A 29 2.226 -10.385 6.021 1.00 0.00 C ATOM 378 CD GLU A 29 2.493 -11.435 4.940 1.00 0.00 C ATOM 379 OE1 GLU A 29 3.163 -12.436 5.275 1.00 0.00 O ATOM 380 OE2 GLU A 29 2.020 -11.213 3.805 1.00 0.00 O ATOM 0 H GLU A 29 1.916 -12.552 8.140 1.00 0.00 H new ATOM 0 HA GLU A 29 1.731 -9.707 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.581 -11.690 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.155 -9.991 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.158 -9.397 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.062 -10.356 6.719 1.00 0.00 H new ATOM 387 N LYS A 30 -0.905 -11.607 9.056 1.00 0.00 N ATOM 388 CA LYS A 30 -2.195 -11.647 9.724 1.00 0.00 C ATOM 389 C LYS A 30 -2.058 -11.045 11.124 1.00 0.00 C ATOM 390 O LYS A 30 -3.021 -10.507 11.669 1.00 0.00 O ATOM 391 CB LYS A 30 -2.758 -13.069 9.718 1.00 0.00 C ATOM 392 CG LYS A 30 -3.780 -13.250 8.594 1.00 0.00 C ATOM 393 CD LYS A 30 -3.348 -14.362 7.635 1.00 0.00 C ATOM 394 CE LYS A 30 -4.543 -15.226 7.224 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.151 -16.182 6.165 1.00 0.00 N ATOM 0 H LYS A 30 -0.620 -12.487 8.625 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.922 -11.040 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.946 -13.785 9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.227 -13.282 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.755 -13.489 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.892 -12.315 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.889 -13.925 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.591 -14.985 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.922 -15.769 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.353 -14.590 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.940 -16.305 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.322 -15.815 5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.915 -17.099 6.595 1.00 0.00 H new ATOM 409 N ASN A 31 -0.855 -11.156 11.666 1.00 0.00 N ATOM 410 CA ASN A 31 -0.580 -10.630 12.992 1.00 0.00 C ATOM 411 C ASN A 31 -0.304 -9.128 12.893 1.00 0.00 C ATOM 412 O ASN A 31 -0.893 -8.336 13.628 1.00 0.00 O ATOM 413 CB ASN A 31 0.653 -11.297 13.605 1.00 0.00 C ATOM 414 CG ASN A 31 0.298 -12.015 14.908 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.852 -12.094 15.310 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.345 -12.532 15.544 1.00 0.00 N ATOM 0 H ASN A 31 -0.059 -11.603 11.211 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.448 -10.830 13.620 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.075 -12.010 12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.419 -10.546 13.797 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.212 -13.031 16.424 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.281 -12.430 15.152 1.00 0.00 H new ATOM 423 N GLU A 32 0.590 -8.782 11.980 1.00 0.00 N ATOM 424 CA GLU A 32 0.951 -7.389 11.775 1.00 0.00 C ATOM 425 C GLU A 32 1.891 -7.255 10.576 1.00 0.00 C ATOM 426 O GLU A 32 2.868 -7.994 10.462 1.00 0.00 O ATOM 427 CB GLU A 32 1.582 -6.796 13.036 1.00 0.00 C ATOM 428 CG GLU A 32 1.744 -5.280 12.907 1.00 0.00 C ATOM 429 CD GLU A 32 2.828 -4.761 13.854 1.00 0.00 C ATOM 430 OE1 GLU A 32 3.883 -5.428 13.928 1.00 0.00 O ATOM 431 OE2 GLU A 32 2.578 -3.710 14.482 1.00 0.00 O ATOM 0 H GLU A 32 1.076 -9.442 11.373 1.00 0.00 H new ATOM 0 HA GLU A 32 0.042 -6.825 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.960 -7.027 13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.555 -7.256 13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.002 -5.025 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.796 -4.789 13.130 1.00 0.00 H new ATOM 438 N PHE A 33 1.563 -6.306 9.711 1.00 0.00 N ATOM 439 CA PHE A 33 2.365 -6.066 8.524 1.00 0.00 C ATOM 440 C PHE A 33 3.858 -6.202 8.834 1.00 0.00 C ATOM 441 O PHE A 33 4.343 -5.648 9.819 1.00 0.00 O ATOM 442 CB PHE A 33 2.079 -4.632 8.073 1.00 0.00 C ATOM 443 CG PHE A 33 2.089 -4.443 6.555 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.264 -4.493 5.871 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.923 -4.225 5.890 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.273 -4.317 4.462 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.933 -4.049 4.480 1.00 0.00 C ATOM 448 CZ PHE A 33 2.107 -4.099 3.796 1.00 0.00 C ATOM 0 H PHE A 33 0.753 -5.694 9.809 1.00 0.00 H new ATOM 0 HA PHE A 33 2.114 -6.793 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.107 -4.327 8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.821 -3.968 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.190 -4.667 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.010 -4.186 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.206 -4.356 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.007 -3.875 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.114 -3.966 2.724 1.00 0.00 H new ATOM 458 N PRO A 34 4.561 -6.962 7.952 1.00 0.00 N ATOM 459 CA PRO A 34 5.988 -7.178 8.122 1.00 0.00 C ATOM 460 C PRO A 34 6.782 -5.929 7.733 1.00 0.00 C ATOM 461 O PRO A 34 6.309 -5.109 6.948 1.00 0.00 O ATOM 462 CB PRO A 34 6.310 -8.382 7.252 1.00 0.00 C ATOM 463 CG PRO A 34 5.155 -8.509 6.272 1.00 0.00 C ATOM 464 CD PRO A 34 4.018 -7.633 6.775 1.00 0.00 C ATOM 0 HA PRO A 34 6.264 -7.368 9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.255 -8.243 6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.411 -9.284 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.465 -8.197 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.832 -9.547 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.707 -6.914 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.141 -8.229 7.028 1.00 0.00 H new ATOM 472 N GLU A 35 7.975 -5.825 8.299 1.00 0.00 N ATOM 473 CA GLU A 35 8.839 -4.691 8.021 1.00 0.00 C ATOM 474 C GLU A 35 9.510 -4.857 6.656 1.00 0.00 C ATOM 475 O GLU A 35 9.710 -3.880 5.936 1.00 0.00 O ATOM 476 CB GLU A 35 9.881 -4.512 9.126 1.00 0.00 C ATOM 477 CG GLU A 35 9.657 -3.202 9.884 1.00 0.00 C ATOM 478 CD GLU A 35 10.728 -2.999 10.958 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.920 -3.116 10.601 1.00 0.00 O ATOM 480 OE2 GLU A 35 10.330 -2.733 12.113 1.00 0.00 O ATOM 0 H GLU A 35 8.364 -6.508 8.949 1.00 0.00 H new ATOM 0 HA GLU A 35 8.226 -3.790 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.828 -5.351 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.881 -4.519 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.675 -2.366 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.670 -3.210 10.347 1.00 0.00 H new ATOM 487 N ASP A 36 9.838 -6.101 6.341 1.00 0.00 N ATOM 488 CA ASP A 36 10.483 -6.408 5.075 1.00 0.00 C ATOM 489 C ASP A 36 9.557 -6.005 3.926 1.00 0.00 C ATOM 490 O ASP A 36 10.017 -5.747 2.815 1.00 0.00 O ATOM 491 CB ASP A 36 10.767 -7.906 4.950 1.00 0.00 C ATOM 492 CG ASP A 36 12.051 -8.380 5.633 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.172 -8.130 6.852 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.884 -8.980 4.920 1.00 0.00 O ATOM 0 H ASP A 36 9.669 -6.909 6.940 1.00 0.00 H new ATOM 0 HA ASP A 36 11.423 -5.858 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.925 -8.456 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.820 -8.163 3.892 1.00 0.00 H new ATOM 499 N LEU A 37 8.268 -5.963 4.233 1.00 0.00 N ATOM 500 CA LEU A 37 7.274 -5.596 3.240 1.00 0.00 C ATOM 501 C LEU A 37 6.984 -4.097 3.345 1.00 0.00 C ATOM 502 O LEU A 37 7.057 -3.376 2.351 1.00 0.00 O ATOM 503 CB LEU A 37 6.029 -6.474 3.377 1.00 0.00 C ATOM 504 CG LEU A 37 6.206 -7.950 3.014 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.855 -8.666 2.954 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.995 -8.104 1.713 1.00 0.00 C ATOM 0 H LEU A 37 7.890 -6.177 5.156 1.00 0.00 H new ATOM 0 HA LEU A 37 7.655 -5.778 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.677 -6.413 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.243 -6.057 2.747 1.00 0.00 H new ATOM 0 HG LEU A 37 6.788 -8.428 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.009 -9.713 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.366 -8.602 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.226 -8.194 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.106 -9.163 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.462 -7.607 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.980 -7.653 1.829 1.00 0.00 H new ATOM 518 N ARG A 38 6.661 -3.673 4.558 1.00 0.00 N ATOM 519 CA ARG A 38 6.359 -2.273 4.805 1.00 0.00 C ATOM 520 C ARG A 38 7.288 -1.377 3.984 1.00 0.00 C ATOM 521 O ARG A 38 6.873 -0.800 2.980 1.00 0.00 O ATOM 522 CB ARG A 38 6.511 -1.931 6.289 1.00 0.00 C ATOM 523 CG ARG A 38 5.174 -2.060 7.021 1.00 0.00 C ATOM 524 CD ARG A 38 5.319 -2.918 8.280 1.00 0.00 C ATOM 525 NE ARG A 38 4.728 -2.216 9.441 1.00 0.00 N ATOM 526 CZ ARG A 38 5.384 -1.320 10.191 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.656 -1.011 9.906 1.00 0.00 N ATOM 528 NH2 ARG A 38 4.767 -0.733 11.226 1.00 0.00 N ATOM 0 H ARG A 38 6.602 -4.274 5.380 1.00 0.00 H new ATOM 0 HA ARG A 38 5.325 -2.099 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.245 -2.595 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.891 -0.915 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.806 -1.070 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.433 -2.505 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.824 -3.878 8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.372 -3.127 8.468 1.00 0.00 H new ATOM 0 HE ARG A 38 3.761 -2.427 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.125 -1.458 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.155 -0.329 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.798 -0.968 11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.266 -0.051 11.797 1.00 0.00 H new ATOM 542 N THR A 39 8.528 -1.287 4.442 1.00 0.00 N ATOM 543 CA THR A 39 9.520 -0.471 3.762 1.00 0.00 C ATOM 544 C THR A 39 9.372 -0.605 2.245 1.00 0.00 C ATOM 545 O THR A 39 9.148 0.385 1.550 1.00 0.00 O ATOM 546 CB THR A 39 10.901 -0.879 4.276 1.00 0.00 C ATOM 547 OG1 THR A 39 10.869 -0.546 5.662 1.00 0.00 O ATOM 548 CG2 THR A 39 12.020 -0.003 3.709 1.00 0.00 C ATOM 0 H THR A 39 8.869 -1.766 5.276 1.00 0.00 H new ATOM 0 HA THR A 39 9.377 0.588 3.979 1.00 0.00 H new ATOM 0 HB THR A 39 11.090 -1.921 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.727 -0.780 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.979 -0.336 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.030 -0.084 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.849 1.035 3.994 1.00 0.00 H new ATOM 556 N GLU A 40 9.503 -1.837 1.777 1.00 0.00 N ATOM 557 CA GLU A 40 9.387 -2.114 0.355 1.00 0.00 C ATOM 558 C GLU A 40 8.159 -1.408 -0.224 1.00 0.00 C ATOM 559 O GLU A 40 8.213 -0.868 -1.329 1.00 0.00 O ATOM 560 CB GLU A 40 9.328 -3.620 0.092 1.00 0.00 C ATOM 561 CG GLU A 40 10.726 -4.188 -0.155 1.00 0.00 C ATOM 562 CD GLU A 40 11.648 -3.913 1.035 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.811 -2.718 1.363 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.169 -4.905 1.590 1.00 0.00 O ATOM 0 H GLU A 40 9.688 -2.655 2.357 1.00 0.00 H new ATOM 0 HA GLU A 40 10.275 -1.726 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.872 -4.124 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.693 -3.817 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.661 -5.262 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.148 -3.745 -1.057 1.00 0.00 H new ATOM 571 N LEU A 41 7.082 -1.434 0.547 1.00 0.00 N ATOM 572 CA LEU A 41 5.843 -0.803 0.124 1.00 0.00 C ATOM 573 C LEU A 41 5.980 0.716 0.251 1.00 0.00 C ATOM 574 O LEU A 41 5.768 1.445 -0.717 1.00 0.00 O ATOM 575 CB LEU A 41 4.657 -1.380 0.897 1.00 0.00 C ATOM 576 CG LEU A 41 3.687 -2.245 0.090 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.111 -3.715 0.116 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.248 -2.056 0.576 1.00 0.00 C ATOM 0 H LEU A 41 7.041 -1.882 1.462 1.00 0.00 H new ATOM 0 HA LEU A 41 5.645 -1.019 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.043 -1.977 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.097 -0.553 1.335 1.00 0.00 H new ATOM 0 HG LEU A 41 3.722 -1.917 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.405 -4.308 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.108 -3.814 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.123 -4.072 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.579 -2.682 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.178 -2.340 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.960 -1.011 0.463 1.00 0.00 H new ATOM 590 N MET A 42 6.333 1.147 1.453 1.00 0.00 N ATOM 591 CA MET A 42 6.501 2.566 1.719 1.00 0.00 C ATOM 592 C MET A 42 7.435 3.210 0.693 1.00 0.00 C ATOM 593 O MET A 42 7.191 4.329 0.243 1.00 0.00 O ATOM 594 CB MET A 42 7.076 2.757 3.124 1.00 0.00 C ATOM 595 CG MET A 42 6.192 2.084 4.175 1.00 0.00 C ATOM 596 SD MET A 42 4.493 2.588 3.957 1.00 0.00 S ATOM 597 CE MET A 42 3.659 1.091 4.456 1.00 0.00 C ATOM 0 H MET A 42 6.507 0.539 2.253 1.00 0.00 H new ATOM 0 HA MET A 42 5.526 3.048 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.082 2.340 3.169 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.162 3.821 3.344 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.272 1.000 4.090 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.534 2.351 5.175 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.627 1.321 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.671 0.376 3.633 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.169 0.660 5.318 1.00 0.00 H new ATOM 607 N GLN A 43 8.483 2.476 0.351 1.00 0.00 N ATOM 608 CA GLN A 43 9.455 2.962 -0.614 1.00 0.00 C ATOM 609 C GLN A 43 8.913 2.805 -2.036 1.00 0.00 C ATOM 610 O GLN A 43 9.210 3.618 -2.910 1.00 0.00 O ATOM 611 CB GLN A 43 10.794 2.240 -0.454 1.00 0.00 C ATOM 612 CG GLN A 43 10.746 0.847 -1.086 1.00 0.00 C ATOM 613 CD GLN A 43 12.117 0.171 -1.029 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.882 0.180 -1.980 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.385 -0.412 0.136 1.00 0.00 N ATOM 0 H GLN A 43 8.681 1.548 0.725 1.00 0.00 H new ATOM 0 HA GLN A 43 9.627 4.022 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.586 2.827 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.041 2.155 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.012 0.233 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.418 0.925 -2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.700 -0.382 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.276 -0.889 0.275 1.00 0.00 H new ATOM 624 N THR A 44 8.130 1.753 -2.225 1.00 0.00 N ATOM 625 CA THR A 44 7.545 1.479 -3.526 1.00 0.00 C ATOM 626 C THR A 44 6.402 2.455 -3.813 1.00 0.00 C ATOM 627 O THR A 44 6.518 3.312 -4.688 1.00 0.00 O ATOM 628 CB THR A 44 7.111 0.012 -3.550 1.00 0.00 C ATOM 629 OG1 THR A 44 8.329 -0.708 -3.718 1.00 0.00 O ATOM 630 CG2 THR A 44 6.297 -0.338 -4.797 1.00 0.00 C ATOM 0 H THR A 44 7.887 1.080 -1.498 1.00 0.00 H new ATOM 0 HA THR A 44 8.270 1.632 -4.325 1.00 0.00 H new ATOM 0 HB THR A 44 6.522 -0.206 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.539 -1.193 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.015 -1.390 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.398 0.278 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.897 -0.151 -5.688 1.00 0.00 H new ATOM 638 N LEU A 45 5.324 2.292 -3.060 1.00 0.00 N ATOM 639 CA LEU A 45 4.161 3.148 -3.223 1.00 0.00 C ATOM 640 C LEU A 45 4.607 4.612 -3.224 1.00 0.00 C ATOM 641 O LEU A 45 4.123 5.412 -4.023 1.00 0.00 O ATOM 642 CB LEU A 45 3.107 2.828 -2.162 1.00 0.00 C ATOM 643 CG LEU A 45 2.790 1.345 -1.958 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.604 1.163 -1.009 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.564 0.643 -3.299 1.00 0.00 C ATOM 0 H LEU A 45 5.231 1.580 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 45 3.681 2.959 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.440 3.242 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.184 3.343 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 45 3.653 0.873 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.400 0.100 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.841 1.606 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.725 1.654 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.341 -0.410 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.727 1.111 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.463 0.727 -3.910 1.00 0.00 H new ATOM 657 N GLY A 46 5.526 4.918 -2.319 1.00 0.00 N ATOM 658 CA GLY A 46 6.042 6.272 -2.206 1.00 0.00 C ATOM 659 C GLY A 46 6.537 6.785 -3.560 1.00 0.00 C ATOM 660 O GLY A 46 6.205 7.897 -3.965 1.00 0.00 O ATOM 0 H GLY A 46 5.926 4.252 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.262 6.932 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.858 6.295 -1.484 1.00 0.00 H new ATOM 664 N SER A 47 7.324 5.949 -4.222 1.00 0.00 N ATOM 665 CA SER A 47 7.868 6.304 -5.521 1.00 0.00 C ATOM 666 C SER A 47 6.819 7.059 -6.340 1.00 0.00 C ATOM 667 O SER A 47 7.012 8.226 -6.678 1.00 0.00 O ATOM 668 CB SER A 47 8.339 5.061 -6.280 1.00 0.00 C ATOM 669 OG SER A 47 9.280 5.383 -7.300 1.00 0.00 O ATOM 0 H SER A 47 7.598 5.027 -3.883 1.00 0.00 H new ATOM 0 HA SER A 47 8.732 6.950 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.790 4.358 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.479 4.560 -6.725 1.00 0.00 H new ATOM 0 HG SER A 47 9.557 4.563 -7.760 1.00 0.00 H new ATOM 675 N TYR A 48 5.730 6.363 -6.633 1.00 0.00 N ATOM 676 CA TYR A 48 4.650 6.954 -7.405 1.00 0.00 C ATOM 677 C TYR A 48 4.439 8.420 -7.021 1.00 0.00 C ATOM 678 O TYR A 48 4.371 9.289 -7.889 1.00 0.00 O ATOM 679 CB TYR A 48 3.392 6.159 -7.047 1.00 0.00 C ATOM 680 CG TYR A 48 3.421 4.704 -7.517 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.975 3.729 -6.712 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.893 4.365 -8.746 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.002 2.359 -7.154 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.920 2.995 -9.189 1.00 0.00 C ATOM 685 CZ TYR A 48 3.473 2.060 -8.371 1.00 0.00 C ATOM 686 OH TYR A 48 3.498 0.765 -8.789 1.00 0.00 O ATOM 0 H TYR A 48 5.573 5.396 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 48 4.877 6.920 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.258 6.178 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.525 6.654 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.388 3.994 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.459 5.128 -9.376 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.432 1.587 -6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.510 2.717 -10.149 1.00 0.00 H new ATOM 0 HH TYR A 48 2.866 0.237 -8.257 1.00 0.00 H new ATOM 696 N GLY A 49 4.342 8.649 -5.720 1.00 0.00 N ATOM 697 CA GLY A 49 4.141 9.995 -5.210 1.00 0.00 C ATOM 698 C GLY A 49 5.189 10.343 -4.152 1.00 0.00 C ATOM 699 O GLY A 49 6.388 10.296 -4.421 1.00 0.00 O ATOM 0 H GLY A 49 4.399 7.925 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.196 10.710 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.143 10.079 -4.780 1.00 0.00 H new ATOM 703 N THR A 50 4.699 10.685 -2.969 1.00 0.00 N ATOM 704 CA THR A 50 5.578 11.041 -1.869 1.00 0.00 C ATOM 705 C THR A 50 4.914 10.717 -0.529 1.00 0.00 C ATOM 706 O THR A 50 3.827 11.213 -0.235 1.00 0.00 O ATOM 707 CB THR A 50 5.952 12.517 -2.021 1.00 0.00 C ATOM 708 OG1 THR A 50 7.236 12.488 -2.638 1.00 0.00 O ATOM 709 CG2 THR A 50 6.201 13.199 -0.674 1.00 0.00 C ATOM 0 H THR A 50 3.704 10.723 -2.749 1.00 0.00 H new ATOM 0 HA THR A 50 6.496 10.454 -1.891 1.00 0.00 H new ATOM 0 HB THR A 50 5.157 13.040 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.251 11.794 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.463 14.244 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.299 13.142 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.019 12.697 -0.158 1.00 0.00 H new ATOM 717 N ILE A 51 5.595 9.887 0.247 1.00 0.00 N ATOM 718 CA ILE A 51 5.084 9.492 1.549 1.00 0.00 C ATOM 719 C ILE A 51 5.202 10.670 2.518 1.00 0.00 C ATOM 720 O ILE A 51 6.303 11.142 2.797 1.00 0.00 O ATOM 721 CB ILE A 51 5.786 8.222 2.036 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.591 7.073 1.045 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.324 7.848 3.446 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.163 6.528 1.112 1.00 0.00 C ATOM 0 H ILE A 51 6.496 9.477 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 51 4.026 9.239 1.483 1.00 0.00 H new ATOM 0 HB ILE A 51 6.856 8.422 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.805 7.420 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.300 6.274 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.837 6.942 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.557 8.662 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.248 7.673 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.051 5.712 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.961 6.160 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.458 7.323 0.868 1.00 0.00 H new ATOM 736 N VAL A 52 4.051 11.112 3.005 1.00 0.00 N ATOM 737 CA VAL A 52 4.011 12.226 3.936 1.00 0.00 C ATOM 738 C VAL A 52 3.538 11.726 5.303 1.00 0.00 C ATOM 739 O VAL A 52 3.619 12.449 6.294 1.00 0.00 O ATOM 740 CB VAL A 52 3.135 13.347 3.374 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.528 13.680 1.933 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.652 12.983 3.468 1.00 0.00 C ATOM 0 H VAL A 52 3.139 10.718 2.772 1.00 0.00 H new ATOM 0 HA VAL A 52 5.007 12.647 4.070 1.00 0.00 H new ATOM 0 HB VAL A 52 3.300 14.238 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.890 14.480 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.569 14.003 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.406 12.795 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.051 13.797 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.464 12.073 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.383 12.819 4.512 1.00 0.00 H new ATOM 752 N LEU A 53 3.056 10.492 5.311 1.00 0.00 N ATOM 753 CA LEU A 53 2.570 9.887 6.539 1.00 0.00 C ATOM 754 C LEU A 53 2.128 8.450 6.255 1.00 0.00 C ATOM 755 O LEU A 53 1.699 8.137 5.145 1.00 0.00 O ATOM 756 CB LEU A 53 1.477 10.753 7.168 1.00 0.00 C ATOM 757 CG LEU A 53 1.625 11.039 8.664 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.020 9.773 9.427 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.607 12.186 8.908 1.00 0.00 C ATOM 0 H LEU A 53 2.992 9.895 4.487 1.00 0.00 H new ATOM 0 HA LEU A 53 3.369 9.835 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.445 11.705 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.516 10.265 7.005 1.00 0.00 H new ATOM 0 HG LEU A 53 0.656 11.358 9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.119 10.003 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.252 9.012 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.971 9.401 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.694 12.369 9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.584 11.920 8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.244 13.087 8.414 1.00 0.00 H new ATOM 771 N VAL A 54 2.248 7.614 7.276 1.00 0.00 N ATOM 772 CA VAL A 54 1.866 6.218 7.149 1.00 0.00 C ATOM 773 C VAL A 54 1.409 5.693 8.512 1.00 0.00 C ATOM 774 O VAL A 54 1.954 6.080 9.545 1.00 0.00 O ATOM 775 CB VAL A 54 3.022 5.411 6.555 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.283 5.815 5.103 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.287 5.561 7.402 1.00 0.00 C ATOM 0 H VAL A 54 2.604 7.877 8.195 1.00 0.00 H new ATOM 0 HA VAL A 54 1.027 6.113 6.462 1.00 0.00 H new ATOM 0 HB VAL A 54 2.736 4.359 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.109 5.226 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.388 5.633 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.538 6.874 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.094 4.977 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.577 6.611 7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.093 5.202 8.413 1.00 0.00 H new ATOM 787 N ARG A 55 0.413 4.820 8.471 1.00 0.00 N ATOM 788 CA ARG A 55 -0.123 4.239 9.690 1.00 0.00 C ATOM 789 C ARG A 55 -0.539 2.787 9.446 1.00 0.00 C ATOM 790 O ARG A 55 -1.513 2.526 8.742 1.00 0.00 O ATOM 791 CB ARG A 55 -1.332 5.031 10.193 1.00 0.00 C ATOM 792 CG ARG A 55 -1.575 4.774 11.681 1.00 0.00 C ATOM 793 CD ARG A 55 -3.038 5.029 12.050 1.00 0.00 C ATOM 794 NE ARG A 55 -3.131 5.513 13.445 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.252 5.995 14.000 1.00 0.00 C ATOM 796 NH1 ARG A 55 -5.381 6.059 13.281 1.00 0.00 N ATOM 797 NH2 ARG A 55 -4.243 6.412 15.273 1.00 0.00 N ATOM 0 H ARG A 55 -0.037 4.501 7.613 1.00 0.00 H new ATOM 0 HA ARG A 55 0.660 4.275 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.169 6.096 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.218 4.751 9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.309 3.745 11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.928 5.420 12.275 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.470 5.765 11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.616 4.112 11.935 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.290 5.478 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.387 5.741 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.234 6.426 13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.383 6.363 15.820 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.096 6.779 15.696 1.00 0.00 H new ATOM 811 N ILE A 56 0.220 1.879 10.043 1.00 0.00 N ATOM 812 CA ILE A 56 -0.058 0.460 9.899 1.00 0.00 C ATOM 813 C ILE A 56 -0.985 0.010 11.030 1.00 0.00 C ATOM 814 O ILE A 56 -0.717 0.276 12.200 1.00 0.00 O ATOM 815 CB ILE A 56 1.247 -0.336 9.820 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.744 -0.431 8.376 1.00 0.00 C ATOM 817 CG2 ILE A 56 1.088 -1.714 10.464 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.299 0.912 7.897 1.00 0.00 C ATOM 0 H ILE A 56 1.027 2.099 10.627 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.580 0.267 8.962 1.00 0.00 H new ATOM 0 HB ILE A 56 2.009 0.198 10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.518 -1.195 8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.926 -0.743 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.029 -2.259 10.394 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.814 -1.596 11.512 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.308 -2.270 9.945 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.645 0.816 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.516 1.668 7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.132 1.209 8.534 1.00 0.00 H new ATOM 830 N ASN A 57 -2.056 -0.666 10.640 1.00 0.00 N ATOM 831 CA ASN A 57 -3.024 -1.156 11.606 1.00 0.00 C ATOM 832 C ASN A 57 -2.814 -2.657 11.816 1.00 0.00 C ATOM 833 O ASN A 57 -2.325 -3.350 10.925 1.00 0.00 O ATOM 834 CB ASN A 57 -4.455 -0.944 11.108 1.00 0.00 C ATOM 835 CG ASN A 57 -5.251 -0.071 12.080 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.933 -0.551 12.971 1.00 0.00 O ATOM 837 ND2 ASN A 57 -5.126 1.235 11.861 1.00 0.00 N ATOM 0 H ASN A 57 -2.274 -0.886 9.668 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.880 -0.606 12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.436 -0.474 10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.950 -1.908 10.991 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.617 1.901 12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.539 1.570 11.097 1.00 0.00 H new ATOM 844 N GLN A 58 -3.194 -3.115 13.000 1.00 0.00 N ATOM 845 CA GLN A 58 -3.053 -4.522 13.338 1.00 0.00 C ATOM 846 C GLN A 58 -3.193 -5.386 12.083 1.00 0.00 C ATOM 847 O GLN A 58 -2.456 -6.355 11.907 1.00 0.00 O ATOM 848 CB GLN A 58 -4.070 -4.934 14.404 1.00 0.00 C ATOM 849 CG GLN A 58 -3.597 -4.525 15.800 1.00 0.00 C ATOM 850 CD GLN A 58 -4.785 -4.272 16.730 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.788 -3.688 16.354 1.00 0.00 O ATOM 852 NE2 GLN A 58 -4.617 -4.744 17.963 1.00 0.00 N ATOM 0 H GLN A 58 -3.599 -2.538 13.737 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.057 -4.678 13.753 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.033 -4.469 14.192 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.222 -6.013 14.369 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.964 -5.308 16.217 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.986 -3.625 15.732 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.752 -5.224 18.212 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.353 -4.626 18.659 1.00 0.00 H new ATOM 861 N GLY A 59 -4.145 -5.004 11.244 1.00 0.00 N ATOM 862 CA GLY A 59 -4.391 -5.732 10.011 1.00 0.00 C ATOM 863 C GLY A 59 -4.752 -4.776 8.872 1.00 0.00 C ATOM 864 O GLY A 59 -5.701 -5.019 8.129 1.00 0.00 O ATOM 0 H GLY A 59 -4.755 -4.200 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.505 -6.307 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.201 -6.446 10.162 1.00 0.00 H new ATOM 868 N GLN A 60 -3.975 -3.707 8.771 1.00 0.00 N ATOM 869 CA GLN A 60 -4.200 -2.713 7.735 1.00 0.00 C ATOM 870 C GLN A 60 -2.945 -1.863 7.534 1.00 0.00 C ATOM 871 O GLN A 60 -1.981 -1.983 8.289 1.00 0.00 O ATOM 872 CB GLN A 60 -5.408 -1.837 8.071 1.00 0.00 C ATOM 873 CG GLN A 60 -6.618 -2.219 7.215 1.00 0.00 C ATOM 874 CD GLN A 60 -7.861 -2.424 8.083 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.816 -3.022 9.146 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.970 -1.897 7.573 1.00 0.00 N ATOM 0 H GLN A 60 -3.189 -3.508 9.390 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.417 -3.231 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.657 -1.944 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.158 -0.789 7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.809 -1.438 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.402 -3.133 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.938 -1.409 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.853 -1.981 8.077 1.00 0.00 H new ATOM 885 N MET A 61 -2.996 -1.022 6.511 1.00 0.00 N ATOM 886 CA MET A 61 -1.875 -0.152 6.200 1.00 0.00 C ATOM 887 C MET A 61 -2.350 1.131 5.515 1.00 0.00 C ATOM 888 O MET A 61 -2.442 1.188 4.290 1.00 0.00 O ATOM 889 CB MET A 61 -0.896 -0.888 5.283 1.00 0.00 C ATOM 890 CG MET A 61 0.154 0.072 4.719 1.00 0.00 C ATOM 891 SD MET A 61 1.422 -0.846 3.861 1.00 0.00 S ATOM 892 CE MET A 61 2.457 -1.308 5.241 1.00 0.00 C ATOM 0 H MET A 61 -3.797 -0.925 5.887 1.00 0.00 H new ATOM 0 HA MET A 61 -1.380 0.118 7.133 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.403 -1.687 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.442 -1.358 4.465 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.318 0.780 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.598 0.654 5.527 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.396 -1.718 4.870 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.661 -0.429 5.853 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.946 -2.059 5.844 1.00 0.00 H new ATOM 902 N LEU A 62 -2.639 2.130 6.336 1.00 0.00 N ATOM 903 CA LEU A 62 -3.103 3.409 5.825 1.00 0.00 C ATOM 904 C LEU A 62 -1.896 4.271 5.450 1.00 0.00 C ATOM 905 O LEU A 62 -1.227 4.822 6.323 1.00 0.00 O ATOM 906 CB LEU A 62 -4.047 4.076 6.826 1.00 0.00 C ATOM 907 CG LEU A 62 -5.052 3.152 7.518 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.496 2.025 6.583 1.00 0.00 C ATOM 909 CD2 LEU A 62 -4.488 2.615 8.835 1.00 0.00 C ATOM 0 H LEU A 62 -2.561 2.080 7.352 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.689 3.266 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.446 4.565 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.600 4.859 6.307 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.939 3.736 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.210 1.383 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.967 2.451 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.628 1.436 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.222 1.961 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.575 2.053 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.264 3.448 9.501 1.00 0.00 H new ATOM 921 N VAL A 63 -1.654 4.361 4.150 1.00 0.00 N ATOM 922 CA VAL A 63 -0.539 5.147 3.649 1.00 0.00 C ATOM 923 C VAL A 63 -1.057 6.495 3.145 1.00 0.00 C ATOM 924 O VAL A 63 -2.133 6.569 2.553 1.00 0.00 O ATOM 925 CB VAL A 63 0.217 4.358 2.578 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.276 5.231 1.901 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.845 3.094 3.169 1.00 0.00 C ATOM 0 H VAL A 63 -2.211 3.903 3.429 1.00 0.00 H new ATOM 0 HA VAL A 63 0.174 5.351 4.447 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.501 4.051 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.799 4.647 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.794 6.088 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.990 5.581 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.376 2.552 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.544 3.370 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.062 2.459 3.584 1.00 0.00 H new ATOM 937 N THR A 64 -0.267 7.529 3.399 1.00 0.00 N ATOM 938 CA THR A 64 -0.633 8.870 2.978 1.00 0.00 C ATOM 939 C THR A 64 0.401 9.421 1.994 1.00 0.00 C ATOM 940 O THR A 64 1.593 9.142 2.119 1.00 0.00 O ATOM 941 CB THR A 64 -0.796 9.731 4.232 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.733 9.011 5.028 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.497 11.060 3.943 1.00 0.00 C ATOM 0 H THR A 64 0.624 7.464 3.891 1.00 0.00 H new ATOM 0 HA THR A 64 -1.581 8.870 2.440 1.00 0.00 H new ATOM 0 HB THR A 64 0.184 9.925 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.621 9.414 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.587 11.632 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.914 11.629 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.490 10.867 3.537 1.00 0.00 H new ATOM 951 N PHE A 65 -0.092 10.193 1.037 1.00 0.00 N ATOM 952 CA PHE A 65 0.774 10.785 0.032 1.00 0.00 C ATOM 953 C PHE A 65 0.640 12.309 0.021 1.00 0.00 C ATOM 954 O PHE A 65 -0.087 12.877 0.834 1.00 0.00 O ATOM 955 CB PHE A 65 0.327 10.235 -1.324 1.00 0.00 C ATOM 956 CG PHE A 65 0.537 8.728 -1.485 1.00 0.00 C ATOM 957 CD1 PHE A 65 -0.427 7.860 -1.076 1.00 0.00 C ATOM 958 CD2 PHE A 65 1.687 8.257 -2.037 1.00 0.00 C ATOM 959 CE1 PHE A 65 -0.232 6.461 -1.225 1.00 0.00 C ATOM 960 CE2 PHE A 65 1.882 6.858 -2.186 1.00 0.00 C ATOM 961 CZ PHE A 65 0.918 5.990 -1.777 1.00 0.00 C ATOM 0 H PHE A 65 -1.081 10.422 0.936 1.00 0.00 H new ATOM 0 HA PHE A 65 1.814 10.541 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.730 10.461 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.872 10.754 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.340 8.234 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.452 8.947 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.997 5.771 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.795 6.484 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.066 4.926 -1.891 1.00 0.00 H new ATOM 971 N ALA A 66 1.351 12.927 -0.910 1.00 0.00 N ATOM 972 CA ALA A 66 1.320 14.374 -1.038 1.00 0.00 C ATOM 973 C ALA A 66 0.185 14.774 -1.983 1.00 0.00 C ATOM 974 O ALA A 66 -0.622 15.643 -1.656 1.00 0.00 O ATOM 975 CB ALA A 66 2.684 14.874 -1.521 1.00 0.00 C ATOM 0 H ALA A 66 1.952 12.452 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 66 1.125 14.840 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.660 15.960 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.451 14.590 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.913 14.429 -2.489 1.00 0.00 H new ATOM 981 N ASP A 67 0.160 14.121 -3.136 1.00 0.00 N ATOM 982 CA ASP A 67 -0.863 14.398 -4.130 1.00 0.00 C ATOM 983 C ASP A 67 -1.941 13.314 -4.062 1.00 0.00 C ATOM 984 O ASP A 67 -1.747 12.281 -3.424 1.00 0.00 O ATOM 985 CB ASP A 67 -0.275 14.392 -5.542 1.00 0.00 C ATOM 986 CG ASP A 67 0.634 15.579 -5.869 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.446 15.932 -4.987 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.495 16.106 -6.994 1.00 0.00 O ATOM 0 H ASP A 67 0.831 13.401 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.281 15.382 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.292 13.471 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.094 14.372 -6.261 1.00 0.00 H new ATOM 993 N SER A 68 -3.053 13.587 -4.729 1.00 0.00 N ATOM 994 CA SER A 68 -4.161 12.649 -4.752 1.00 0.00 C ATOM 995 C SER A 68 -4.041 11.727 -5.967 1.00 0.00 C ATOM 996 O SER A 68 -4.156 10.509 -5.840 1.00 0.00 O ATOM 997 CB SER A 68 -5.504 13.382 -4.773 1.00 0.00 C ATOM 998 OG SER A 68 -5.718 14.068 -6.003 1.00 0.00 O ATOM 0 H SER A 68 -3.210 14.445 -5.258 1.00 0.00 H new ATOM 0 HA SER A 68 -4.120 12.049 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.310 12.666 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.541 14.095 -3.949 1.00 0.00 H new ATOM 0 HG SER A 68 -6.586 14.522 -5.978 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.811 12.343 -7.117 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.674 11.593 -8.354 1.00 0.00 C ATOM 1006 C HIS A 69 -2.839 10.337 -8.102 1.00 0.00 C ATOM 1007 O HIS A 69 -3.236 9.236 -8.482 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.098 12.476 -9.463 1.00 0.00 C ATOM 1009 CG HIS A 69 -1.604 12.675 -9.376 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -1.029 13.874 -8.992 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -0.574 11.817 -9.625 1.00 0.00 C ATOM 1012 CE1 HIS A 69 0.288 13.732 -9.014 1.00 0.00 C ATOM 1013 NE2 HIS A 69 0.568 12.457 -9.407 1.00 0.00 N ATOM 0 H HIS A 69 -3.716 13.353 -7.218 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.656 11.271 -8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.339 12.032 -10.429 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.587 13.450 -9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.671 10.790 -9.945 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.013 14.493 -8.764 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.501 12.060 -9.516 1.00 0.00 H new ATOM 1021 N SER A 70 -1.697 10.542 -7.463 1.00 0.00 N ATOM 1022 CA SER A 70 -0.802 9.440 -7.156 1.00 0.00 C ATOM 1023 C SER A 70 -1.604 8.243 -6.639 1.00 0.00 C ATOM 1024 O SER A 70 -1.458 7.130 -7.142 1.00 0.00 O ATOM 1025 CB SER A 70 0.253 9.856 -6.128 1.00 0.00 C ATOM 1026 OG SER A 70 -0.332 10.459 -4.977 1.00 0.00 O ATOM 0 H SER A 70 -1.371 11.456 -7.149 1.00 0.00 H new ATOM 0 HA SER A 70 -0.285 9.155 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.829 8.982 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.952 10.555 -6.588 1.00 0.00 H new ATOM 0 HG SER A 70 0.373 10.709 -4.344 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.432 8.514 -5.641 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.257 7.473 -5.051 1.00 0.00 C ATOM 1034 C ALA A 71 -3.951 6.686 -6.164 1.00 0.00 C ATOM 1035 O ALA A 71 -3.886 5.458 -6.193 1.00 0.00 O ATOM 1036 CB ALA A 71 -4.253 8.104 -4.075 1.00 0.00 C ATOM 0 H ALA A 71 -2.549 9.438 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.644 6.772 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.872 7.324 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.710 8.627 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.887 8.811 -4.609 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.599 7.424 -7.052 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.304 6.810 -8.165 1.00 0.00 C ATOM 1044 C LEU A 72 -4.399 5.767 -8.823 1.00 0.00 C ATOM 1045 O LEU A 72 -4.753 4.591 -8.896 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.815 7.880 -9.132 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.540 7.628 -10.616 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.194 6.325 -11.081 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -5.977 8.823 -11.465 1.00 0.00 C ATOM 0 H LEU A 72 -4.651 8.442 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.191 6.285 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.891 7.982 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.367 8.835 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.464 7.514 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.983 6.170 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.793 5.491 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.272 6.385 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.770 8.618 -12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.045 8.993 -11.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.427 9.711 -11.154 1.00 0.00 H new ATOM 1061 N SER A 73 -3.250 6.235 -9.286 1.00 0.00 N ATOM 1062 CA SER A 73 -2.291 5.357 -9.936 1.00 0.00 C ATOM 1063 C SER A 73 -2.003 4.146 -9.046 1.00 0.00 C ATOM 1064 O SER A 73 -2.139 3.005 -9.482 1.00 0.00 O ATOM 1065 CB SER A 73 -0.993 6.101 -10.257 1.00 0.00 C ATOM 1066 OG SER A 73 -1.154 7.514 -10.180 1.00 0.00 O ATOM 0 H SER A 73 -2.961 7.211 -9.224 1.00 0.00 H new ATOM 0 HA SER A 73 -2.723 5.014 -10.876 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.214 5.787 -9.563 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.657 5.829 -11.257 1.00 0.00 H new ATOM 0 HG SER A 73 -0.303 7.952 -10.390 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.611 4.438 -7.814 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.303 3.387 -6.859 1.00 0.00 C ATOM 1074 C VAL A 74 -2.523 2.479 -6.695 1.00 0.00 C ATOM 1075 O VAL A 74 -2.387 1.306 -6.350 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.833 4.001 -5.539 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.652 2.924 -4.467 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.456 4.801 -5.735 1.00 0.00 C ATOM 0 H VAL A 74 -1.500 5.386 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.484 2.768 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.606 4.689 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.317 3.387 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.601 2.416 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.092 2.200 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.768 5.227 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.239 4.143 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.281 5.604 -6.451 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.689 3.056 -6.949 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.932 2.313 -6.834 1.00 0.00 C ATOM 1090 C LEU A 75 -5.150 1.490 -8.105 1.00 0.00 C ATOM 1091 O LEU A 75 -5.829 0.465 -8.077 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.091 3.257 -6.506 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.071 3.885 -5.111 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.879 5.184 -5.083 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.552 2.888 -4.054 1.00 0.00 C ATOM 0 H LEU A 75 -3.799 4.029 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.879 1.609 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.100 4.059 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.025 2.707 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.040 4.142 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.849 5.610 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.452 5.894 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.913 4.975 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.528 3.359 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.572 2.578 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.899 2.015 -4.053 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.560 1.970 -9.190 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.681 1.291 -10.469 1.00 0.00 C ATOM 1109 C ASP A 76 -3.601 0.212 -10.573 1.00 0.00 C ATOM 1110 O ASP A 76 -3.900 -0.942 -10.876 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.487 2.268 -11.631 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.628 2.295 -12.650 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.792 2.350 -12.198 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -5.310 2.262 -13.859 1.00 0.00 O ATOM 0 H ASP A 76 -3.997 2.820 -9.210 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.678 0.855 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.359 3.271 -11.225 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.563 2.013 -12.150 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.369 0.626 -10.317 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.244 -0.291 -10.378 1.00 0.00 C ATOM 1121 C VAL A 77 -1.299 -1.239 -9.179 1.00 0.00 C ATOM 1122 O VAL A 77 -0.551 -2.214 -9.119 1.00 0.00 O ATOM 1123 CB VAL A 77 0.067 0.495 -10.459 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.332 1.255 -9.158 1.00 0.00 C ATOM 1125 CG2 VAL A 77 1.238 -0.428 -10.803 1.00 0.00 C ATOM 0 H VAL A 77 -2.125 1.584 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.298 -0.903 -11.279 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.030 1.227 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.269 1.805 -9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.483 1.954 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.399 0.548 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.158 0.155 -10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.336 -1.193 -10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.055 -0.904 -11.767 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.192 -0.921 -8.254 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.355 -1.733 -7.060 1.00 0.00 C ATOM 1137 C ASP A 78 -2.238 -3.212 -7.434 1.00 0.00 C ATOM 1138 O ASP A 78 -1.563 -3.978 -6.749 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.730 -1.512 -6.426 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.240 -2.671 -5.568 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -3.408 -3.238 -4.828 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.451 -2.964 -5.671 1.00 0.00 O ATOM 0 H ASP A 78 -2.811 -0.112 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.580 -1.446 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.689 -0.614 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.453 -1.321 -7.219 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.907 -3.568 -8.521 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.888 -4.942 -8.995 1.00 0.00 C ATOM 1149 C GLY A 79 -1.498 -5.560 -8.826 1.00 0.00 C ATOM 1150 O GLY A 79 -1.371 -6.770 -8.644 1.00 0.00 O ATOM 0 H GLY A 79 -3.465 -2.929 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.621 -5.531 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.179 -4.972 -10.045 1.00 0.00 H new ATOM 1154 N MET A 80 -0.492 -4.701 -8.892 1.00 0.00 N ATOM 1155 CA MET A 80 0.884 -5.148 -8.749 1.00 0.00 C ATOM 1156 C MET A 80 1.025 -6.122 -7.578 1.00 0.00 C ATOM 1157 O MET A 80 0.096 -6.289 -6.789 1.00 0.00 O ATOM 1158 CB MET A 80 1.792 -3.939 -8.520 1.00 0.00 C ATOM 1159 CG MET A 80 1.624 -3.387 -7.103 1.00 0.00 C ATOM 1160 SD MET A 80 1.419 -1.615 -7.158 1.00 0.00 S ATOM 1161 CE MET A 80 2.182 -1.166 -5.607 1.00 0.00 C ATOM 0 H MET A 80 -0.601 -3.698 -9.043 1.00 0.00 H new ATOM 0 HA MET A 80 1.176 -5.664 -9.664 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.831 -4.225 -8.682 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.558 -3.161 -9.247 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.759 -3.847 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.495 -3.642 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.414 -0.101 -5.611 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.497 -1.385 -4.788 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.101 -1.737 -5.475 1.00 0.00 H new ATOM 1171 N LYS A 81 2.194 -6.740 -7.501 1.00 0.00 N ATOM 1172 CA LYS A 81 2.469 -7.693 -6.439 1.00 0.00 C ATOM 1173 C LYS A 81 3.787 -7.323 -5.756 1.00 0.00 C ATOM 1174 O LYS A 81 4.744 -6.926 -6.420 1.00 0.00 O ATOM 1175 CB LYS A 81 2.438 -9.123 -6.982 1.00 0.00 C ATOM 1176 CG LYS A 81 1.006 -9.661 -7.028 1.00 0.00 C ATOM 1177 CD LYS A 81 0.734 -10.384 -8.349 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.547 -9.863 -9.005 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.642 -10.847 -8.855 1.00 0.00 N ATOM 0 H LYS A 81 2.962 -6.599 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 81 1.691 -7.649 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.871 -9.146 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.053 -9.768 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.844 -10.345 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.301 -8.839 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.577 -10.243 -9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.645 -11.456 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.836 -8.916 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.368 -9.667 -10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.504 -10.479 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.369 -11.742 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.823 -11.013 -7.845 1.00 0.00 H new ATOM 1193 N VAL A 82 3.795 -7.467 -4.439 1.00 0.00 N ATOM 1194 CA VAL A 82 4.980 -7.153 -3.659 1.00 0.00 C ATOM 1195 C VAL A 82 5.482 -8.422 -2.969 1.00 0.00 C ATOM 1196 O VAL A 82 4.732 -9.080 -2.249 1.00 0.00 O ATOM 1197 CB VAL A 82 4.675 -6.019 -2.678 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.855 -5.780 -1.733 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.299 -4.736 -3.421 1.00 0.00 C ATOM 0 H VAL A 82 3.000 -7.797 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 82 5.781 -6.797 -4.307 1.00 0.00 H new ATOM 0 HB VAL A 82 3.818 -6.319 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.613 -4.969 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.056 -6.688 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.738 -5.512 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.087 -3.947 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.127 -4.430 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.415 -4.915 -4.032 1.00 0.00 H new ATOM 1209 N LYS A 83 6.748 -8.729 -3.213 1.00 0.00 N ATOM 1210 CA LYS A 83 7.359 -9.908 -2.624 1.00 0.00 C ATOM 1211 C LYS A 83 6.586 -11.153 -3.066 1.00 0.00 C ATOM 1212 O LYS A 83 6.490 -12.126 -2.319 1.00 0.00 O ATOM 1213 CB LYS A 83 7.463 -9.756 -1.105 1.00 0.00 C ATOM 1214 CG LYS A 83 8.925 -9.681 -0.661 1.00 0.00 C ATOM 1215 CD LYS A 83 9.580 -8.386 -1.145 1.00 0.00 C ATOM 1216 CE LYS A 83 10.995 -8.242 -0.580 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.875 -7.559 -1.554 1.00 0.00 N ATOM 0 H LYS A 83 7.367 -8.181 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 83 8.383 -10.024 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.937 -8.855 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.974 -10.599 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.982 -9.737 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.472 -10.538 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.617 -8.378 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.975 -7.532 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.965 -7.676 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.400 -9.226 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.822 -7.439 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.944 -8.131 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.478 -6.626 -1.786 1.00 0.00 H new ATOM 1231 N GLY A 84 6.054 -11.081 -4.277 1.00 0.00 N ATOM 1232 CA GLY A 84 5.292 -12.189 -4.827 1.00 0.00 C ATOM 1233 C GLY A 84 3.916 -12.290 -4.166 1.00 0.00 C ATOM 1234 O GLY A 84 3.189 -13.258 -4.383 1.00 0.00 O ATOM 0 H GLY A 84 6.136 -10.272 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.174 -12.055 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.839 -13.120 -4.680 1.00 0.00 H new ATOM 1238 N ARG A 85 3.600 -11.277 -3.373 1.00 0.00 N ATOM 1239 CA ARG A 85 2.324 -11.239 -2.679 1.00 0.00 C ATOM 1240 C ARG A 85 1.395 -10.213 -3.332 1.00 0.00 C ATOM 1241 O ARG A 85 1.804 -9.085 -3.602 1.00 0.00 O ATOM 1242 CB ARG A 85 2.510 -10.882 -1.203 1.00 0.00 C ATOM 1243 CG ARG A 85 3.254 -11.994 -0.460 1.00 0.00 C ATOM 1244 CD ARG A 85 2.316 -13.156 -0.128 1.00 0.00 C ATOM 1245 NE ARG A 85 2.832 -14.409 -0.723 1.00 0.00 N ATOM 1246 CZ ARG A 85 2.400 -15.632 -0.389 1.00 0.00 C ATOM 1247 NH1 ARG A 85 1.441 -15.775 0.537 1.00 0.00 N ATOM 1248 NH2 ARG A 85 2.926 -16.713 -0.980 1.00 0.00 N ATOM 0 H ARG A 85 4.206 -10.476 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 85 1.880 -12.232 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.066 -9.948 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.537 -10.717 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.082 -12.354 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.685 -11.597 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.229 -13.266 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.316 -12.947 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 85 3.562 -14.337 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.040 -14.952 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.112 -16.707 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.656 -16.605 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.597 -17.644 -0.725 1.00 0.00 H new ATOM 1262 N ALA A 86 0.164 -10.642 -3.565 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.826 -9.774 -4.180 1.00 0.00 C ATOM 1264 C ALA A 86 -1.293 -8.735 -3.159 1.00 0.00 C ATOM 1265 O ALA A 86 -1.733 -9.088 -2.066 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.981 -10.620 -4.721 1.00 0.00 C ATOM 0 H ALA A 86 -0.171 -11.579 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.393 -9.236 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.724 -9.969 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.601 -11.321 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.442 -11.173 -3.902 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.182 -7.475 -3.552 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.587 -6.382 -2.684 1.00 0.00 C ATOM 1274 C VAL A 87 -2.945 -5.847 -3.145 1.00 0.00 C ATOM 1275 O VAL A 87 -3.323 -6.019 -4.302 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.500 -5.306 -2.654 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.137 -5.133 -4.035 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -1.056 -3.979 -2.136 1.00 0.00 C ATOM 0 H VAL A 87 -0.817 -7.186 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.706 -6.733 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 87 0.278 -5.634 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.906 -4.362 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.586 -6.075 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.627 -4.838 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.263 -3.232 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.862 -3.643 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.440 -4.115 -1.125 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.640 -5.210 -2.214 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.948 -4.649 -2.510 1.00 0.00 C ATOM 1290 C LYS A 88 -5.120 -3.336 -1.743 1.00 0.00 C ATOM 1291 O LYS A 88 -5.094 -3.324 -0.514 1.00 0.00 O ATOM 1292 CB LYS A 88 -6.047 -5.675 -2.229 1.00 0.00 C ATOM 1293 CG LYS A 88 -7.002 -5.796 -3.419 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.062 -6.869 -3.163 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.375 -6.520 -3.866 1.00 0.00 C ATOM 1296 NZ LYS A 88 -10.477 -7.368 -3.358 1.00 0.00 N ATOM 0 H LYS A 88 -3.323 -5.070 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.030 -4.412 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.598 -6.646 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.604 -5.382 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.487 -4.837 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.439 -6.043 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.701 -7.834 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.234 -6.967 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.613 -5.469 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.267 -6.660 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.361 -7.118 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.255 -8.369 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.590 -7.214 -2.336 1.00 0.00 H new ATOM 1310 N ILE A 89 -5.292 -2.263 -2.502 1.00 0.00 N ATOM 1311 CA ILE A 89 -5.469 -0.949 -1.908 1.00 0.00 C ATOM 1312 C ILE A 89 -6.932 -0.523 -2.050 1.00 0.00 C ATOM 1313 O ILE A 89 -7.554 -0.759 -3.084 1.00 0.00 O ATOM 1314 CB ILE A 89 -4.477 0.049 -2.511 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -3.052 -0.505 -2.473 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -4.582 1.410 -1.821 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -2.283 -0.127 -3.741 1.00 0.00 C ATOM 0 H ILE A 89 -5.312 -2.277 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.247 -0.980 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.736 0.199 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.530 -0.117 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.082 -1.590 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.867 2.101 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.591 1.803 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.363 1.298 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.273 -0.533 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.794 -0.537 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.234 0.959 -3.827 1.00 0.00 H new ATOM 1329 N SER A 90 -7.439 0.098 -0.995 1.00 0.00 N ATOM 1330 CA SER A 90 -8.816 0.559 -0.988 1.00 0.00 C ATOM 1331 C SER A 90 -8.866 2.054 -0.668 1.00 0.00 C ATOM 1332 O SER A 90 -7.833 2.676 -0.425 1.00 0.00 O ATOM 1333 CB SER A 90 -9.656 -0.228 0.021 1.00 0.00 C ATOM 1334 OG SER A 90 -11.032 -0.266 -0.344 1.00 0.00 O ATOM 0 H SER A 90 -6.920 0.293 -0.139 1.00 0.00 H new ATOM 0 HA SER A 90 -9.237 0.392 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.273 -1.246 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.555 0.224 1.008 1.00 0.00 H new ATOM 0 HG SER A 90 -11.534 -0.779 0.324 1.00 0.00 H new ATOM 1340 N GLY A 91 -10.079 2.589 -0.679 1.00 0.00 N ATOM 1341 CA GLY A 91 -10.277 4.000 -0.394 1.00 0.00 C ATOM 1342 C GLY A 91 -10.941 4.195 0.971 1.00 0.00 C ATOM 1343 O GLY A 91 -12.139 3.961 1.121 1.00 0.00 O ATOM 0 H GLY A 91 -10.934 2.070 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.317 4.517 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.896 4.448 -1.171 1.00 0.00 H new