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 -120:sc= -7.67! (180deg=-3.64!) USER MOD Set 1.2: A 61 MET CE :methyl -135:sc= -5.81! (180deg=-6.39!) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.95 K(o=-6.3,f=-12!) USER MOD Set 2.2: A 60 GLN : amide:sc= -3.39! K(o=-6.3!,f=-5.8) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0.171 USER MOD Set 3.2: A 64 THR OG1 : rot -98:sc= -0.0595 USER MOD Single : A 23 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -115:sc= -2.57 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.84 X(o=-0.84,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 43 GLN : amide:sc=-0.00277 K(o=-0.0028,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 124:sc= 1.45 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 160:sc= -6.19! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.0147 K(o=0.015,f=-1.1) USER MOD Single : A 68 SER OG : rot 180:sc= -0.303 USER MOD Single : A 69 HIS : no HD1:sc= -0.0835 X(o=-0.084,f=-0.084) USER MOD Single : A 70 SER OG : rot 170:sc= -2.1! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -137:sc= -0.671 (180deg=-1.69) 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=-0.00371) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0152 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.226 12.583 0.696 1.00 0.00 N ATOM 178 CA ALA A 16 -4.573 11.636 -0.193 1.00 0.00 C ATOM 179 C ALA A 16 -4.149 10.403 0.607 1.00 0.00 C ATOM 180 O ALA A 16 -2.968 10.061 0.649 1.00 0.00 O ATOM 181 CB ALA A 16 -3.390 12.317 -0.885 1.00 0.00 C ATOM 0 HA ALA A 16 -5.259 11.304 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.900 11.607 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.748 13.169 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.678 12.660 -0.135 1.00 0.00 H new ATOM 187 N THR A 17 -5.136 9.768 1.222 1.00 0.00 N ATOM 188 CA THR A 17 -4.880 8.579 2.018 1.00 0.00 C ATOM 189 C THR A 17 -5.427 7.337 1.312 1.00 0.00 C ATOM 190 O THR A 17 -6.455 7.402 0.640 1.00 0.00 O ATOM 191 CB THR A 17 -5.480 8.802 3.407 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.836 9.983 3.879 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.060 7.723 4.407 1.00 0.00 C ATOM 0 H THR A 17 -6.114 10.054 1.185 1.00 0.00 H new ATOM 0 HA THR A 17 -3.811 8.404 2.135 1.00 0.00 H new ATOM 0 HB THR A 17 -6.567 8.824 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.168 10.201 4.775 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.513 7.929 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.392 6.748 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.975 7.722 4.507 1.00 0.00 H new ATOM 201 N VAL A 18 -4.715 6.233 1.490 1.00 0.00 N ATOM 202 CA VAL A 18 -5.116 4.978 0.878 1.00 0.00 C ATOM 203 C VAL A 18 -4.851 3.832 1.856 1.00 0.00 C ATOM 204 O VAL A 18 -3.845 3.834 2.564 1.00 0.00 O ATOM 205 CB VAL A 18 -4.401 4.797 -0.463 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.836 5.868 -1.465 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.882 4.802 -0.279 1.00 0.00 C ATOM 0 H VAL A 18 -3.863 6.182 2.049 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.185 4.982 0.663 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.686 3.826 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.313 5.717 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.911 5.797 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.594 6.855 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.398 4.672 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.571 5.751 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.593 3.986 0.384 1.00 0.00 H new ATOM 217 N VAL A 19 -5.773 2.879 1.865 1.00 0.00 N ATOM 218 CA VAL A 19 -5.651 1.729 2.745 1.00 0.00 C ATOM 219 C VAL A 19 -4.955 0.591 1.997 1.00 0.00 C ATOM 220 O VAL A 19 -5.443 0.132 0.965 1.00 0.00 O ATOM 221 CB VAL A 19 -7.028 1.336 3.285 1.00 0.00 C ATOM 222 CG1 VAL A 19 -8.036 1.170 2.146 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.942 0.064 4.132 1.00 0.00 C ATOM 0 H VAL A 19 -6.607 2.880 1.277 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.035 1.973 3.610 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.379 2.143 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.006 0.891 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.129 2.110 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.692 0.391 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.934 -0.193 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.559 -0.754 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.271 0.233 4.975 1.00 0.00 H new ATOM 233 N VAL A 20 -3.826 0.168 2.546 1.00 0.00 N ATOM 234 CA VAL A 20 -3.058 -0.908 1.943 1.00 0.00 C ATOM 235 C VAL A 20 -3.308 -2.204 2.718 1.00 0.00 C ATOM 236 O VAL A 20 -3.249 -2.217 3.946 1.00 0.00 O ATOM 237 CB VAL A 20 -1.578 -0.524 1.881 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.701 -1.755 1.644 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.332 0.540 0.810 1.00 0.00 C ATOM 0 H VAL A 20 -3.425 0.551 3.402 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.379 -1.077 0.915 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.302 -0.098 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.346 -1.454 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.843 -2.465 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.980 -2.224 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.272 0.795 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.633 0.153 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.915 1.431 1.042 1.00 0.00 H new ATOM 249 N ASN A 21 -3.581 -3.261 1.967 1.00 0.00 N ATOM 250 CA ASN A 21 -3.839 -4.558 2.568 1.00 0.00 C ATOM 251 C ASN A 21 -3.277 -5.656 1.663 1.00 0.00 C ATOM 252 O ASN A 21 -2.913 -5.395 0.518 1.00 0.00 O ATOM 253 CB ASN A 21 -5.341 -4.801 2.729 1.00 0.00 C ATOM 254 CG ASN A 21 -5.907 -3.984 3.893 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.822 -2.768 3.930 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.488 -4.718 4.837 1.00 0.00 N ATOM 0 H ASN A 21 -3.629 -3.245 0.948 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.363 -4.576 3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.857 -4.533 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.525 -5.861 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.897 -4.266 5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.525 -5.733 4.743 1.00 0.00 H new ATOM 263 N LEU A 22 -3.224 -6.861 2.211 1.00 0.00 N ATOM 264 CA LEU A 22 -2.713 -8.000 1.468 1.00 0.00 C ATOM 265 C LEU A 22 -3.880 -8.895 1.047 1.00 0.00 C ATOM 266 O LEU A 22 -4.712 -9.266 1.874 1.00 0.00 O ATOM 267 CB LEU A 22 -1.639 -8.730 2.277 1.00 0.00 C ATOM 268 CG LEU A 22 -0.205 -8.228 2.094 1.00 0.00 C ATOM 269 CD1 LEU A 22 -0.119 -6.717 2.318 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.764 -8.997 2.994 1.00 0.00 C ATOM 0 H LEU A 22 -3.527 -7.073 3.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.220 -7.668 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.896 -8.658 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.669 -9.787 2.013 1.00 0.00 H new ATOM 0 HG LEU A 22 0.094 -8.417 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.911 -6.387 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.762 -6.206 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.445 -6.480 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.776 -8.621 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.477 -8.862 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.730 -10.057 2.743 1.00 0.00 H new ATOM 282 N GLN A 23 -3.905 -9.216 -0.238 1.00 0.00 N ATOM 283 CA GLN A 23 -4.957 -10.060 -0.778 1.00 0.00 C ATOM 284 C GLN A 23 -4.922 -11.440 -0.118 1.00 0.00 C ATOM 285 O GLN A 23 -5.919 -11.888 0.446 1.00 0.00 O ATOM 286 CB GLN A 23 -4.840 -10.177 -2.299 1.00 0.00 C ATOM 287 CG GLN A 23 -5.433 -8.948 -2.991 1.00 0.00 C ATOM 288 CD GLN A 23 -6.224 -9.349 -4.238 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.121 -10.455 -4.741 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.017 -8.390 -4.707 1.00 0.00 N ATOM 0 H GLN A 23 -3.213 -8.907 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.918 -9.596 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.792 -10.286 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.356 -11.075 -2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.085 -8.415 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.633 -8.261 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.056 -7.485 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.586 -8.559 -5.536 1.00 0.00 H new ATOM 299 N SER A 24 -3.763 -12.075 -0.211 1.00 0.00 N ATOM 300 CA SER A 24 -3.584 -13.395 0.370 1.00 0.00 C ATOM 301 C SER A 24 -2.305 -13.429 1.209 1.00 0.00 C ATOM 302 O SER A 24 -1.316 -14.046 0.815 1.00 0.00 O ATOM 303 CB SER A 24 -3.536 -14.473 -0.714 1.00 0.00 C ATOM 304 OG SER A 24 -3.334 -15.773 -0.167 1.00 0.00 O ATOM 0 H SER A 24 -2.938 -11.700 -0.680 1.00 0.00 H new ATOM 0 HA SER A 24 -4.439 -13.603 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.467 -14.459 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.733 -14.246 -1.415 1.00 0.00 H new ATOM 0 HG SER A 24 -3.311 -16.433 -0.891 1.00 0.00 H new ATOM 310 N PRO A 25 -2.366 -12.739 2.380 1.00 0.00 N ATOM 311 CA PRO A 25 -1.225 -12.685 3.277 1.00 0.00 C ATOM 312 C PRO A 25 -1.052 -14.008 4.025 1.00 0.00 C ATOM 313 O PRO A 25 -1.957 -14.841 4.038 1.00 0.00 O ATOM 314 CB PRO A 25 -1.508 -11.512 4.202 1.00 0.00 C ATOM 315 CG PRO A 25 -3.000 -11.245 4.093 1.00 0.00 C ATOM 316 CD PRO A 25 -3.520 -11.997 2.878 1.00 0.00 C ATOM 0 HA PRO A 25 -0.282 -12.542 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.228 -11.748 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.932 -10.635 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.514 -11.576 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.190 -10.177 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.336 -12.668 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.906 -11.312 2.123 1.00 0.00 H new ATOM 324 N THR A 26 0.117 -14.160 4.631 1.00 0.00 N ATOM 325 CA THR A 26 0.420 -15.368 5.380 1.00 0.00 C ATOM 326 C THR A 26 0.116 -15.165 6.865 1.00 0.00 C ATOM 327 O THR A 26 -0.375 -14.110 7.264 1.00 0.00 O ATOM 328 CB THR A 26 1.877 -15.742 5.103 1.00 0.00 C ATOM 329 OG1 THR A 26 2.626 -14.869 5.945 1.00 0.00 O ATOM 330 CG2 THR A 26 2.320 -15.366 3.688 1.00 0.00 C ATOM 0 H THR A 26 0.865 -13.467 4.618 1.00 0.00 H new ATOM 0 HA THR A 26 -0.210 -16.199 5.063 1.00 0.00 H new ATOM 0 HB THR A 26 2.011 -16.813 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.160 -14.260 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.362 -15.653 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.696 -15.887 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.218 -14.290 3.549 1.00 0.00 H new ATOM 338 N LEU A 27 0.420 -16.193 7.644 1.00 0.00 N ATOM 339 CA LEU A 27 0.186 -16.140 9.077 1.00 0.00 C ATOM 340 C LEU A 27 0.939 -14.948 9.670 1.00 0.00 C ATOM 341 O LEU A 27 0.369 -14.162 10.426 1.00 0.00 O ATOM 342 CB LEU A 27 0.543 -17.478 9.728 1.00 0.00 C ATOM 343 CG LEU A 27 -0.364 -18.659 9.375 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.426 -19.969 9.350 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.563 -18.731 10.323 1.00 0.00 C ATOM 0 H LEU A 27 0.826 -17.067 7.310 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.873 -15.983 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.565 -17.734 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.532 -17.347 10.810 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.756 -18.500 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.242 -20.792 9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.218 -19.902 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.866 -20.148 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.192 -19.579 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.210 -18.855 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.142 -17.811 10.248 1.00 0.00 H new ATOM 357 N GLU A 28 2.209 -14.850 9.305 1.00 0.00 N ATOM 358 CA GLU A 28 3.046 -13.767 9.791 1.00 0.00 C ATOM 359 C GLU A 28 2.410 -12.415 9.460 1.00 0.00 C ATOM 360 O GLU A 28 2.635 -11.431 10.163 1.00 0.00 O ATOM 361 CB GLU A 28 4.459 -13.864 9.213 1.00 0.00 C ATOM 362 CG GLU A 28 4.430 -13.830 7.684 1.00 0.00 C ATOM 363 CD GLU A 28 5.614 -13.035 7.130 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.642 -11.810 7.380 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.464 -13.669 6.469 1.00 0.00 O ATOM 0 H GLU A 28 2.679 -15.503 8.678 1.00 0.00 H new ATOM 0 HA GLU A 28 3.126 -13.854 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.066 -13.040 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.931 -14.786 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.456 -14.847 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.496 -13.382 7.344 1.00 0.00 H new ATOM 372 N GLU A 29 1.630 -12.411 8.389 1.00 0.00 N ATOM 373 CA GLU A 29 0.960 -11.196 7.957 1.00 0.00 C ATOM 374 C GLU A 29 -0.427 -11.099 8.595 1.00 0.00 C ATOM 375 O GLU A 29 -0.938 -10.001 8.815 1.00 0.00 O ATOM 376 CB GLU A 29 0.867 -11.135 6.431 1.00 0.00 C ATOM 377 CG GLU A 29 2.205 -10.719 5.816 1.00 0.00 C ATOM 378 CD GLU A 29 2.599 -11.657 4.674 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.670 -12.162 4.008 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.821 -11.848 4.492 1.00 0.00 O ATOM 0 H GLU A 29 1.447 -13.229 7.808 1.00 0.00 H new ATOM 0 HA GLU A 29 1.551 -10.341 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.571 -12.109 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.092 -10.426 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.136 -9.697 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.980 -10.728 6.582 1.00 0.00 H new ATOM 387 N LYS A 30 -0.998 -12.261 8.874 1.00 0.00 N ATOM 388 CA LYS A 30 -2.316 -12.321 9.483 1.00 0.00 C ATOM 389 C LYS A 30 -2.207 -11.947 10.962 1.00 0.00 C ATOM 390 O LYS A 30 -3.219 -11.715 11.623 1.00 0.00 O ATOM 391 CB LYS A 30 -2.957 -13.688 9.240 1.00 0.00 C ATOM 392 CG LYS A 30 -3.984 -13.619 8.107 1.00 0.00 C ATOM 393 CD LYS A 30 -5.086 -14.663 8.302 1.00 0.00 C ATOM 394 CE LYS A 30 -4.900 -15.841 7.342 1.00 0.00 C ATOM 395 NZ LYS A 30 -5.686 -15.630 6.105 1.00 0.00 N ATOM 0 H LYS A 30 -0.572 -13.169 8.690 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.983 -11.595 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.185 -14.417 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.441 -14.034 10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.424 -12.623 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.487 -13.783 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.074 -15.022 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.061 -14.204 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.844 -15.953 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.214 -16.766 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.549 -16.438 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.694 -15.545 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.367 -14.758 5.636 1.00 0.00 H new ATOM 409 N ASN A 31 -0.972 -11.899 11.438 1.00 0.00 N ATOM 410 CA ASN A 31 -0.718 -11.557 12.828 1.00 0.00 C ATOM 411 C ASN A 31 -0.329 -10.080 12.922 1.00 0.00 C ATOM 412 O ASN A 31 -0.893 -9.336 13.722 1.00 0.00 O ATOM 413 CB ASN A 31 0.434 -12.387 13.397 1.00 0.00 C ATOM 414 CG ASN A 31 0.160 -13.884 13.244 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.972 -14.340 13.267 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.255 -14.622 13.087 1.00 0.00 N ATOM 0 H ASN A 31 -0.136 -12.091 10.886 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.625 -11.761 13.397 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.361 -12.129 12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.575 -12.145 14.450 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.177 -15.633 12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.173 -14.177 13.077 1.00 0.00 H new ATOM 423 N GLU A 32 0.633 -9.701 12.093 1.00 0.00 N ATOM 424 CA GLU A 32 1.104 -8.326 12.073 1.00 0.00 C ATOM 425 C GLU A 32 1.949 -8.073 10.823 1.00 0.00 C ATOM 426 O GLU A 32 2.887 -8.818 10.542 1.00 0.00 O ATOM 427 CB GLU A 32 1.891 -7.998 13.343 1.00 0.00 C ATOM 428 CG GLU A 32 1.134 -6.992 14.213 1.00 0.00 C ATOM 429 CD GLU A 32 1.649 -7.017 15.654 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.877 -7.184 15.815 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.802 -6.867 16.561 1.00 0.00 O ATOM 0 H GLU A 32 1.099 -10.321 11.431 1.00 0.00 H new ATOM 0 HA GLU A 32 0.237 -7.666 12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.071 -8.912 13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.866 -7.592 13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.248 -5.990 13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.069 -7.223 14.200 1.00 0.00 H new ATOM 438 N PHE A 33 1.587 -7.019 10.106 1.00 0.00 N ATOM 439 CA PHE A 33 2.301 -6.659 8.893 1.00 0.00 C ATOM 440 C PHE A 33 3.814 -6.712 9.110 1.00 0.00 C ATOM 441 O PHE A 33 4.321 -6.194 10.104 1.00 0.00 O ATOM 442 CB PHE A 33 1.897 -5.224 8.547 1.00 0.00 C ATOM 443 CG PHE A 33 2.048 -4.876 7.064 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.245 -4.445 6.585 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.984 -4.998 6.226 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.385 -4.122 5.210 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.124 -4.675 4.850 1.00 0.00 C ATOM 448 CZ PHE A 33 2.321 -4.244 4.371 1.00 0.00 C ATOM 0 H PHE A 33 0.809 -6.403 10.342 1.00 0.00 H new ATOM 0 HA PHE A 33 2.052 -7.357 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.859 -5.068 8.843 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.503 -4.535 9.135 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.090 -4.348 7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.033 -5.340 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.336 -3.779 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.279 -4.772 4.184 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.427 -3.998 3.325 1.00 0.00 H new ATOM 458 N PRO A 34 4.512 -7.360 8.140 1.00 0.00 N ATOM 459 CA PRO A 34 5.957 -7.488 8.215 1.00 0.00 C ATOM 460 C PRO A 34 6.643 -6.164 7.873 1.00 0.00 C ATOM 461 O PRO A 34 6.194 -5.439 6.987 1.00 0.00 O ATOM 462 CB PRO A 34 6.305 -8.606 7.245 1.00 0.00 C ATOM 463 CG PRO A 34 5.104 -8.745 6.323 1.00 0.00 C ATOM 464 CD PRO A 34 3.945 -7.986 6.949 1.00 0.00 C ATOM 0 HA PRO A 34 6.306 -7.728 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.206 -8.367 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.500 -9.538 7.776 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.333 -8.345 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.845 -9.795 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.543 -7.240 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.125 -8.657 7.206 1.00 0.00 H new ATOM 472 N GLU A 35 7.721 -5.889 8.593 1.00 0.00 N ATOM 473 CA GLU A 35 8.474 -4.666 8.376 1.00 0.00 C ATOM 474 C GLU A 35 9.373 -4.806 7.146 1.00 0.00 C ATOM 475 O GLU A 35 9.899 -3.816 6.641 1.00 0.00 O ATOM 476 CB GLU A 35 9.293 -4.299 9.615 1.00 0.00 C ATOM 477 CG GLU A 35 10.296 -5.403 9.956 1.00 0.00 C ATOM 478 CD GLU A 35 11.728 -4.951 9.665 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.953 -4.472 8.533 1.00 0.00 O ATOM 480 OE2 GLU A 35 12.566 -5.095 10.581 1.00 0.00 O ATOM 0 H GLU A 35 8.091 -6.493 9.327 1.00 0.00 H new ATOM 0 HA GLU A 35 7.768 -3.856 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.823 -3.363 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.626 -4.135 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.202 -5.672 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.068 -6.298 9.377 1.00 0.00 H new ATOM 487 N ASP A 36 9.523 -6.045 6.701 1.00 0.00 N ATOM 488 CA ASP A 36 10.350 -6.328 5.540 1.00 0.00 C ATOM 489 C ASP A 36 9.529 -6.107 4.268 1.00 0.00 C ATOM 490 O ASP A 36 10.080 -6.055 3.170 1.00 0.00 O ATOM 491 CB ASP A 36 10.829 -7.781 5.546 1.00 0.00 C ATOM 492 CG ASP A 36 12.295 -7.980 5.153 1.00 0.00 C ATOM 493 OD1 ASP A 36 13.114 -7.133 5.570 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.562 -8.975 4.445 1.00 0.00 O ATOM 0 H ASP A 36 9.086 -6.864 7.123 1.00 0.00 H new ATOM 0 HA ASP A 36 11.213 -5.663 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.676 -8.194 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.204 -8.357 4.863 1.00 0.00 H new ATOM 499 N LEU A 37 8.223 -5.982 4.459 1.00 0.00 N ATOM 500 CA LEU A 37 7.321 -5.768 3.341 1.00 0.00 C ATOM 501 C LEU A 37 7.042 -4.270 3.196 1.00 0.00 C ATOM 502 O LEU A 37 7.264 -3.694 2.132 1.00 0.00 O ATOM 503 CB LEU A 37 6.057 -6.616 3.501 1.00 0.00 C ATOM 504 CG LEU A 37 6.179 -8.084 3.091 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.804 -8.753 3.032 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.941 -8.224 1.771 1.00 0.00 C ATOM 0 H LEU A 37 7.769 -6.025 5.371 1.00 0.00 H new ATOM 0 HA LEU A 37 7.783 -6.099 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.746 -6.575 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.261 -6.160 2.913 1.00 0.00 H new ATOM 0 HG LEU A 37 6.758 -8.604 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.919 -9.796 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.332 -8.703 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.180 -8.237 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.013 -9.278 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.411 -7.685 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.942 -7.809 1.883 1.00 0.00 H new ATOM 518 N ARG A 38 6.560 -3.683 4.281 1.00 0.00 N ATOM 519 CA ARG A 38 6.248 -2.264 4.288 1.00 0.00 C ATOM 520 C ARG A 38 7.452 -1.454 3.803 1.00 0.00 C ATOM 521 O ARG A 38 7.325 -0.623 2.905 1.00 0.00 O ATOM 522 CB ARG A 38 5.857 -1.793 5.690 1.00 0.00 C ATOM 523 CG ARG A 38 6.986 -2.050 6.690 1.00 0.00 C ATOM 524 CD ARG A 38 6.462 -2.019 8.128 1.00 0.00 C ATOM 525 NE ARG A 38 7.574 -1.743 9.065 1.00 0.00 N ATOM 526 CZ ARG A 38 7.528 -1.993 10.380 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.424 -2.527 10.922 1.00 0.00 N ATOM 528 NH2 ARG A 38 8.584 -1.710 11.154 1.00 0.00 N ATOM 0 H ARG A 38 6.378 -4.164 5.162 1.00 0.00 H new ATOM 0 HA ARG A 38 5.405 -2.106 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.622 -0.729 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.955 -2.312 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.444 -3.018 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.765 -1.297 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.693 -1.253 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.996 -2.973 8.375 1.00 0.00 H new ATOM 0 HE ARG A 38 8.429 -1.337 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.620 -2.743 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.388 -2.718 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.424 -1.304 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.548 -1.901 12.155 1.00 0.00 H new ATOM 542 N THR A 39 8.594 -1.724 4.419 1.00 0.00 N ATOM 543 CA THR A 39 9.820 -1.030 4.062 1.00 0.00 C ATOM 544 C THR A 39 9.978 -0.977 2.541 1.00 0.00 C ATOM 545 O THR A 39 10.646 -0.089 2.014 1.00 0.00 O ATOM 546 CB THR A 39 10.982 -1.729 4.770 1.00 0.00 C ATOM 547 OG1 THR A 39 10.822 -1.368 6.139 1.00 0.00 O ATOM 548 CG2 THR A 39 12.341 -1.141 4.385 1.00 0.00 C ATOM 0 H THR A 39 8.696 -2.414 5.163 1.00 0.00 H new ATOM 0 HA THR A 39 9.798 0.009 4.392 1.00 0.00 H new ATOM 0 HB THR A 39 10.966 -2.792 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.346 -2.082 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.131 -1.673 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.491 -1.245 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.370 -0.085 4.655 1.00 0.00 H new ATOM 556 N GLU A 40 9.352 -1.939 1.879 1.00 0.00 N ATOM 557 CA GLU A 40 9.416 -2.013 0.429 1.00 0.00 C ATOM 558 C GLU A 40 8.244 -1.251 -0.193 1.00 0.00 C ATOM 559 O GLU A 40 8.381 -0.659 -1.262 1.00 0.00 O ATOM 560 CB GLU A 40 9.437 -3.468 -0.045 1.00 0.00 C ATOM 561 CG GLU A 40 10.574 -3.703 -1.041 1.00 0.00 C ATOM 562 CD GLU A 40 10.399 -2.833 -2.288 1.00 0.00 C ATOM 563 OE1 GLU A 40 9.324 -2.949 -2.914 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.345 -2.072 -2.587 1.00 0.00 O ATOM 0 H GLU A 40 8.798 -2.673 2.320 1.00 0.00 H new ATOM 0 HA GLU A 40 10.344 -1.545 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.556 -4.132 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.483 -3.716 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.530 -3.478 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.600 -4.754 -1.327 1.00 0.00 H new ATOM 571 N LEU A 41 7.117 -1.291 0.503 1.00 0.00 N ATOM 572 CA LEU A 41 5.922 -0.612 0.033 1.00 0.00 C ATOM 573 C LEU A 41 6.065 0.891 0.280 1.00 0.00 C ATOM 574 O LEU A 41 5.821 1.697 -0.617 1.00 0.00 O ATOM 575 CB LEU A 41 4.672 -1.223 0.669 1.00 0.00 C ATOM 576 CG LEU A 41 3.783 -2.051 -0.261 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.314 -3.478 -0.402 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.326 -2.025 0.207 1.00 0.00 C ATOM 0 H LEU A 41 7.007 -1.784 1.389 1.00 0.00 H new ATOM 0 HA LEU A 41 5.804 -0.750 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.984 -1.856 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.072 -0.417 1.090 1.00 0.00 H new ATOM 0 HG LEU A 41 3.812 -1.598 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.663 -4.044 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.322 -3.452 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.336 -3.957 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.715 -2.621 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.260 -2.438 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.964 -0.997 0.213 1.00 0.00 H new ATOM 590 N MET A 42 6.459 1.224 1.500 1.00 0.00 N ATOM 591 CA MET A 42 6.637 2.616 1.876 1.00 0.00 C ATOM 592 C MET A 42 7.449 3.369 0.821 1.00 0.00 C ATOM 593 O MET A 42 7.177 4.535 0.539 1.00 0.00 O ATOM 594 CB MET A 42 7.356 2.693 3.224 1.00 0.00 C ATOM 595 CG MET A 42 6.532 2.021 4.325 1.00 0.00 C ATOM 596 SD MET A 42 4.931 2.800 4.450 1.00 0.00 S ATOM 597 CE MET A 42 3.883 1.355 4.468 1.00 0.00 C ATOM 0 H MET A 42 6.660 0.553 2.242 1.00 0.00 H new ATOM 0 HA MET A 42 5.654 3.081 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.330 2.210 3.148 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.536 3.736 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.413 0.960 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.056 2.093 5.278 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.200 1.391 3.620 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.499 0.458 4.401 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.310 1.333 5.395 1.00 0.00 H new ATOM 607 N GLN A 43 8.429 2.672 0.265 1.00 0.00 N ATOM 608 CA GLN A 43 9.282 3.261 -0.753 1.00 0.00 C ATOM 609 C GLN A 43 8.640 3.113 -2.134 1.00 0.00 C ATOM 610 O GLN A 43 8.564 4.077 -2.894 1.00 0.00 O ATOM 611 CB GLN A 43 10.678 2.636 -0.728 1.00 0.00 C ATOM 612 CG GLN A 43 11.321 2.787 0.653 1.00 0.00 C ATOM 613 CD GLN A 43 12.132 4.081 0.741 1.00 0.00 C ATOM 614 OE1 GLN A 43 11.689 5.149 0.352 1.00 0.00 O ATOM 615 NE2 GLN A 43 13.341 3.927 1.273 1.00 0.00 N ATOM 0 H GLN A 43 8.651 1.705 0.500 1.00 0.00 H new ATOM 0 HA GLN A 43 9.392 4.324 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.612 1.580 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.307 3.112 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.547 2.786 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.969 1.933 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.650 3.004 1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.959 4.732 1.376 1.00 0.00 H new ATOM 624 N THR A 44 8.194 1.897 -2.417 1.00 0.00 N ATOM 625 CA THR A 44 7.561 1.610 -3.692 1.00 0.00 C ATOM 626 C THR A 44 6.428 2.603 -3.961 1.00 0.00 C ATOM 627 O THR A 44 6.461 3.336 -4.948 1.00 0.00 O ATOM 628 CB THR A 44 7.099 0.152 -3.674 1.00 0.00 C ATOM 629 OG1 THR A 44 8.312 -0.596 -3.709 1.00 0.00 O ATOM 630 CG2 THR A 44 6.376 -0.250 -4.961 1.00 0.00 C ATOM 0 H THR A 44 8.259 1.100 -1.784 1.00 0.00 H new ATOM 0 HA THR A 44 8.262 1.733 -4.517 1.00 0.00 H new ATOM 0 HB THR A 44 6.438 -0.009 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.340 -1.209 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.070 -1.294 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.496 0.379 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.047 -0.122 -5.810 1.00 0.00 H new ATOM 638 N LEU A 45 5.452 2.594 -3.065 1.00 0.00 N ATOM 639 CA LEU A 45 4.311 3.484 -3.192 1.00 0.00 C ATOM 640 C LEU A 45 4.786 4.934 -3.081 1.00 0.00 C ATOM 641 O LEU A 45 4.303 5.807 -3.801 1.00 0.00 O ATOM 642 CB LEU A 45 3.226 3.113 -2.180 1.00 0.00 C ATOM 643 CG LEU A 45 2.986 1.616 -1.972 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.773 1.374 -1.071 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.858 0.890 -3.313 1.00 0.00 C ATOM 0 H LEU A 45 5.428 1.984 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 45 3.849 3.373 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.487 3.556 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.289 3.570 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 45 3.854 1.199 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.625 0.302 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.943 1.838 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.886 1.809 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.688 -0.172 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.019 1.304 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.776 1.020 -3.886 1.00 0.00 H new ATOM 657 N GLY A 46 5.726 5.147 -2.172 1.00 0.00 N ATOM 658 CA GLY A 46 6.272 6.477 -1.957 1.00 0.00 C ATOM 659 C GLY A 46 6.950 7.003 -3.223 1.00 0.00 C ATOM 660 O GLY A 46 7.241 8.193 -3.327 1.00 0.00 O ATOM 0 H GLY A 46 6.124 4.421 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.475 7.157 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.992 6.451 -1.139 1.00 0.00 H new ATOM 664 N SER A 47 7.183 6.089 -4.154 1.00 0.00 N ATOM 665 CA SER A 47 7.822 6.446 -5.410 1.00 0.00 C ATOM 666 C SER A 47 6.824 7.167 -6.318 1.00 0.00 C ATOM 667 O SER A 47 7.134 8.218 -6.876 1.00 0.00 O ATOM 668 CB SER A 47 8.383 5.209 -6.114 1.00 0.00 C ATOM 669 OG SER A 47 9.685 5.441 -6.644 1.00 0.00 O ATOM 0 H SER A 47 6.941 5.102 -4.064 1.00 0.00 H new ATOM 0 HA SER A 47 8.654 7.115 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.421 4.377 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.711 4.914 -6.920 1.00 0.00 H new ATOM 0 HG SER A 47 10.009 4.627 -7.084 1.00 0.00 H new ATOM 675 N TYR A 48 5.646 6.573 -6.439 1.00 0.00 N ATOM 676 CA TYR A 48 4.600 7.145 -7.270 1.00 0.00 C ATOM 677 C TYR A 48 4.316 8.595 -6.873 1.00 0.00 C ATOM 678 O TYR A 48 4.106 9.448 -7.733 1.00 0.00 O ATOM 679 CB TYR A 48 3.349 6.303 -7.013 1.00 0.00 C ATOM 680 CG TYR A 48 3.273 5.028 -7.854 1.00 0.00 C ATOM 681 CD1 TYR A 48 2.713 5.066 -9.115 1.00 0.00 C ATOM 682 CD2 TYR A 48 3.764 3.840 -7.353 1.00 0.00 C ATOM 683 CE1 TYR A 48 2.641 3.865 -9.907 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.692 2.640 -8.145 1.00 0.00 C ATOM 685 CZ TYR A 48 3.134 2.712 -9.383 1.00 0.00 C ATOM 686 OH TYR A 48 3.066 1.578 -10.131 1.00 0.00 O ATOM 0 H TYR A 48 5.392 5.701 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 48 4.898 7.141 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.316 6.032 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.467 6.911 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.329 5.996 -9.508 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.202 3.810 -6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.205 3.880 -10.895 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.073 1.704 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 48 3.715 0.925 -9.795 1.00 0.00 H new ATOM 696 N GLY A 49 4.320 8.829 -5.569 1.00 0.00 N ATOM 697 CA GLY A 49 4.065 10.161 -5.047 1.00 0.00 C ATOM 698 C GLY A 49 5.079 10.528 -3.962 1.00 0.00 C ATOM 699 O GLY A 49 6.277 10.296 -4.123 1.00 0.00 O ATOM 0 H GLY A 49 4.496 8.119 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.115 10.889 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.056 10.208 -4.638 1.00 0.00 H new ATOM 703 N THR A 50 4.564 11.097 -2.882 1.00 0.00 N ATOM 704 CA THR A 50 5.410 11.499 -1.772 1.00 0.00 C ATOM 705 C THR A 50 4.761 11.115 -0.440 1.00 0.00 C ATOM 706 O THR A 50 3.694 11.623 -0.097 1.00 0.00 O ATOM 707 CB THR A 50 5.684 12.998 -1.904 1.00 0.00 C ATOM 708 OG1 THR A 50 7.066 13.070 -2.241 1.00 0.00 O ATOM 709 CG2 THR A 50 5.587 13.732 -0.565 1.00 0.00 C ATOM 0 H THR A 50 3.571 11.289 -2.752 1.00 0.00 H new ATOM 0 HA THR A 50 6.366 10.976 -1.795 1.00 0.00 H new ATOM 0 HB THR A 50 4.977 13.435 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.328 14.008 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.790 14.792 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.585 13.609 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.317 13.318 0.131 1.00 0.00 H new ATOM 717 N ILE A 51 5.431 10.222 0.273 1.00 0.00 N ATOM 718 CA ILE A 51 4.933 9.764 1.558 1.00 0.00 C ATOM 719 C ILE A 51 4.778 10.963 2.496 1.00 0.00 C ATOM 720 O ILE A 51 5.751 11.417 3.096 1.00 0.00 O ATOM 721 CB ILE A 51 5.830 8.658 2.118 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.805 7.423 1.215 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.449 8.321 3.561 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.458 6.704 1.306 1.00 0.00 C ATOM 0 H ILE A 51 6.315 9.803 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 51 3.946 9.315 1.446 1.00 0.00 H new ATOM 0 HB ILE A 51 6.856 9.025 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.994 7.719 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.605 6.741 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.102 7.532 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.560 9.209 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.414 7.981 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.467 5.830 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.283 6.388 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.663 7.381 0.994 1.00 0.00 H new ATOM 736 N VAL A 52 3.546 11.442 2.594 1.00 0.00 N ATOM 737 CA VAL A 52 3.251 12.579 3.449 1.00 0.00 C ATOM 738 C VAL A 52 2.967 12.084 4.868 1.00 0.00 C ATOM 739 O VAL A 52 3.054 12.852 5.826 1.00 0.00 O ATOM 740 CB VAL A 52 2.098 13.392 2.857 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.430 14.256 3.929 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.576 14.248 1.683 1.00 0.00 C ATOM 0 H VAL A 52 2.741 11.063 2.095 1.00 0.00 H new ATOM 0 HA VAL A 52 4.109 13.249 3.505 1.00 0.00 H new ATOM 0 HB VAL A 52 1.354 12.691 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.614 14.824 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.037 13.616 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.163 14.944 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.737 14.815 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.349 14.936 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.984 13.603 0.905 1.00 0.00 H new ATOM 752 N LEU A 53 2.634 10.805 4.960 1.00 0.00 N ATOM 753 CA LEU A 53 2.337 10.199 6.246 1.00 0.00 C ATOM 754 C LEU A 53 1.929 8.740 6.036 1.00 0.00 C ATOM 755 O LEU A 53 1.488 8.365 4.950 1.00 0.00 O ATOM 756 CB LEU A 53 1.293 11.026 7.000 1.00 0.00 C ATOM 757 CG LEU A 53 1.622 11.353 8.458 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.779 10.076 9.285 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.856 12.253 8.553 1.00 0.00 C ATOM 0 H LEU A 53 2.563 10.171 4.164 1.00 0.00 H new ATOM 0 HA LEU A 53 3.225 10.195 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.144 11.963 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.345 10.489 6.974 1.00 0.00 H new ATOM 0 HG LEU A 53 0.785 11.909 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.013 10.337 10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.850 9.507 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.587 9.472 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.068 12.470 9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.712 11.746 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.669 13.185 8.020 1.00 0.00 H new ATOM 771 N VAL A 54 2.091 7.955 7.091 1.00 0.00 N ATOM 772 CA VAL A 54 1.746 6.545 7.036 1.00 0.00 C ATOM 773 C VAL A 54 1.253 6.091 8.411 1.00 0.00 C ATOM 774 O VAL A 54 1.748 6.556 9.437 1.00 0.00 O ATOM 775 CB VAL A 54 2.940 5.733 6.531 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.310 6.133 5.101 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.140 5.882 7.469 1.00 0.00 C ATOM 0 H VAL A 54 2.457 8.269 7.990 1.00 0.00 H new ATOM 0 HA VAL A 54 0.934 6.378 6.328 1.00 0.00 H new ATOM 0 HB VAL A 54 2.650 4.682 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.162 5.541 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.461 5.953 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.571 7.191 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.975 5.295 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.430 6.931 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.871 5.526 8.463 1.00 0.00 H new ATOM 787 N ARG A 55 0.284 5.187 8.388 1.00 0.00 N ATOM 788 CA ARG A 55 -0.282 4.665 9.620 1.00 0.00 C ATOM 789 C ARG A 55 -0.483 3.152 9.513 1.00 0.00 C ATOM 790 O ARG A 55 -1.315 2.687 8.735 1.00 0.00 O ATOM 791 CB ARG A 55 -1.623 5.329 9.936 1.00 0.00 C ATOM 792 CG ARG A 55 -1.989 5.152 11.411 1.00 0.00 C ATOM 793 CD ARG A 55 -2.632 6.422 11.973 1.00 0.00 C ATOM 794 NE ARG A 55 -1.878 6.889 13.158 1.00 0.00 N ATOM 795 CZ ARG A 55 -1.990 6.351 14.380 1.00 0.00 C ATOM 796 NH1 ARG A 55 -2.825 5.324 14.585 1.00 0.00 N ATOM 797 NH2 ARG A 55 -1.266 6.840 15.396 1.00 0.00 N ATOM 0 H ARG A 55 -0.123 4.803 7.535 1.00 0.00 H new ATOM 0 HA ARG A 55 0.418 4.886 10.425 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.573 6.391 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.403 4.897 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.676 4.313 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.095 4.909 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.646 7.201 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.669 6.225 12.246 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.233 7.669 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.375 4.952 13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.911 4.914 15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.630 7.622 15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.351 6.431 16.326 1.00 0.00 H new ATOM 811 N ILE A 56 0.293 2.426 10.304 1.00 0.00 N ATOM 812 CA ILE A 56 0.210 0.975 10.308 1.00 0.00 C ATOM 813 C ILE A 56 -0.818 0.530 11.349 1.00 0.00 C ATOM 814 O ILE A 56 -0.663 0.807 12.538 1.00 0.00 O ATOM 815 CB ILE A 56 1.597 0.360 10.510 1.00 0.00 C ATOM 816 CG1 ILE A 56 2.414 0.412 9.217 1.00 0.00 C ATOM 817 CG2 ILE A 56 1.490 -1.062 11.064 1.00 0.00 C ATOM 818 CD1 ILE A 56 1.842 -0.544 8.168 1.00 0.00 C ATOM 0 H ILE A 56 0.983 2.815 10.947 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.137 0.610 9.341 1.00 0.00 H new ATOM 0 HB ILE A 56 2.130 0.955 11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.416 1.429 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.451 0.149 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.489 -1.476 11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.974 -1.041 12.024 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.930 -1.684 10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.441 -0.487 7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.864 -1.563 8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.813 -0.263 7.943 1.00 0.00 H new ATOM 830 N ASN A 57 -1.845 -0.153 10.865 1.00 0.00 N ATOM 831 CA ASN A 57 -2.899 -0.640 11.740 1.00 0.00 C ATOM 832 C ASN A 57 -2.657 -2.119 12.048 1.00 0.00 C ATOM 833 O ASN A 57 -2.084 -2.841 11.234 1.00 0.00 O ATOM 834 CB ASN A 57 -4.270 -0.514 11.073 1.00 0.00 C ATOM 835 CG ASN A 57 -5.318 -0.008 12.066 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.391 1.167 12.386 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.123 -0.958 12.533 1.00 0.00 N ATOM 0 H ASN A 57 -1.970 -0.381 9.879 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.885 -0.042 12.651 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.205 0.170 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.576 -1.482 10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.857 -0.722 13.201 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.007 -1.923 12.223 1.00 0.00 H new ATOM 844 N GLN A 58 -3.106 -2.525 13.227 1.00 0.00 N ATOM 845 CA GLN A 58 -2.945 -3.905 13.653 1.00 0.00 C ATOM 846 C GLN A 58 -2.874 -4.831 12.437 1.00 0.00 C ATOM 847 O GLN A 58 -2.008 -5.701 12.365 1.00 0.00 O ATOM 848 CB GLN A 58 -4.076 -4.323 14.596 1.00 0.00 C ATOM 849 CG GLN A 58 -3.673 -4.122 16.058 1.00 0.00 C ATOM 850 CD GLN A 58 -4.236 -2.810 16.607 1.00 0.00 C ATOM 851 OE1 GLN A 58 -3.866 -1.724 16.191 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.149 -2.969 17.560 1.00 0.00 N ATOM 0 H GLN A 58 -3.581 -1.923 13.900 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.008 -3.988 14.203 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.970 -3.739 14.378 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.329 -5.369 14.425 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.037 -4.957 16.657 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.586 -4.119 16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.413 -3.907 17.862 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.585 -2.153 17.989 1.00 0.00 H new ATOM 861 N GLY A 59 -3.797 -4.613 11.513 1.00 0.00 N ATOM 862 CA GLY A 59 -3.851 -5.417 10.304 1.00 0.00 C ATOM 863 C GLY A 59 -4.206 -4.558 9.089 1.00 0.00 C ATOM 864 O GLY A 59 -5.076 -4.923 8.299 1.00 0.00 O ATOM 0 H GLY A 59 -4.514 -3.891 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.888 -5.902 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.591 -6.209 10.422 1.00 0.00 H new ATOM 868 N GLN A 60 -3.516 -3.433 8.977 1.00 0.00 N ATOM 869 CA GLN A 60 -3.748 -2.519 7.871 1.00 0.00 C ATOM 870 C GLN A 60 -2.555 -1.577 7.703 1.00 0.00 C ATOM 871 O GLN A 60 -1.667 -1.534 8.554 1.00 0.00 O ATOM 872 CB GLN A 60 -5.044 -1.732 8.074 1.00 0.00 C ATOM 873 CG GLN A 60 -5.701 -1.402 6.732 1.00 0.00 C ATOM 874 CD GLN A 60 -7.225 -1.476 6.835 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.829 -1.060 7.810 1.00 0.00 O ATOM 876 NE2 GLN A 60 -7.813 -2.027 5.776 1.00 0.00 N ATOM 0 H GLN A 60 -2.796 -3.133 9.634 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.856 -3.104 6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.733 -2.312 8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.833 -0.810 8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.403 -0.403 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.350 -2.098 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.248 -2.355 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.828 -2.121 5.748 1.00 0.00 H new ATOM 885 N MET A 61 -2.571 -0.845 6.598 1.00 0.00 N ATOM 886 CA MET A 61 -1.501 0.095 6.307 1.00 0.00 C ATOM 887 C MET A 61 -2.030 1.306 5.537 1.00 0.00 C ATOM 888 O MET A 61 -2.092 1.287 4.308 1.00 0.00 O ATOM 889 CB MET A 61 -0.420 -0.604 5.480 1.00 0.00 C ATOM 890 CG MET A 61 0.717 0.361 5.138 1.00 0.00 C ATOM 891 SD MET A 61 1.182 0.174 3.425 1.00 0.00 S ATOM 892 CE MET A 61 2.448 -1.074 3.582 1.00 0.00 C ATOM 0 H MET A 61 -3.308 -0.884 5.894 1.00 0.00 H new ATOM 0 HA MET A 61 -1.081 0.444 7.251 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.025 -1.455 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.857 -0.997 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.403 1.387 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.576 0.166 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.309 -0.797 2.974 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.751 -1.155 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.058 -2.033 3.242 1.00 0.00 H new ATOM 902 N LEU A 62 -2.398 2.332 6.291 1.00 0.00 N ATOM 903 CA LEU A 62 -2.919 3.550 5.695 1.00 0.00 C ATOM 904 C LEU A 62 -1.754 4.420 5.221 1.00 0.00 C ATOM 905 O LEU A 62 -1.045 5.011 6.034 1.00 0.00 O ATOM 906 CB LEU A 62 -3.862 4.261 6.667 1.00 0.00 C ATOM 907 CG LEU A 62 -5.129 3.495 7.055 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.169 3.230 8.561 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.382 4.224 6.568 1.00 0.00 C ATOM 0 H LEU A 62 -2.345 2.344 7.310 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.521 3.317 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.308 4.491 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.158 5.212 6.225 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.108 2.525 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.079 2.685 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.300 2.638 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.156 4.179 9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.268 3.658 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.423 5.216 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.350 4.318 5.483 1.00 0.00 H new ATOM 921 N VAL A 63 -1.592 4.473 3.907 1.00 0.00 N ATOM 922 CA VAL A 63 -0.524 5.261 3.315 1.00 0.00 C ATOM 923 C VAL A 63 -1.095 6.589 2.814 1.00 0.00 C ATOM 924 O VAL A 63 -2.138 6.614 2.162 1.00 0.00 O ATOM 925 CB VAL A 63 0.173 4.457 2.216 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.231 5.302 1.505 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.785 3.173 2.781 1.00 0.00 C ATOM 0 H VAL A 63 -2.183 3.983 3.235 1.00 0.00 H new ATOM 0 HA VAL A 63 0.237 5.494 4.060 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.579 4.174 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.711 4.706 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.757 6.173 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.980 5.630 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.274 2.620 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.518 3.426 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.001 2.558 3.219 1.00 0.00 H new ATOM 937 N THR A 64 -0.386 7.661 3.136 1.00 0.00 N ATOM 938 CA THR A 64 -0.808 8.989 2.726 1.00 0.00 C ATOM 939 C THR A 64 0.214 9.602 1.768 1.00 0.00 C ATOM 940 O THR A 64 1.410 9.331 1.873 1.00 0.00 O ATOM 941 CB THR A 64 -1.034 9.824 3.989 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.018 9.093 4.716 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.709 11.164 3.691 1.00 0.00 C ATOM 0 H THR A 64 0.479 7.636 3.677 1.00 0.00 H new ATOM 0 HA THR A 64 -1.745 8.952 2.171 1.00 0.00 H new ATOM 0 HB THR A 64 -0.079 10.001 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.902 9.481 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.846 11.717 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.083 11.744 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.679 10.987 3.227 1.00 0.00 H new ATOM 951 N PHE A 65 -0.293 10.417 0.854 1.00 0.00 N ATOM 952 CA PHE A 65 0.562 11.071 -0.123 1.00 0.00 C ATOM 953 C PHE A 65 0.255 12.567 -0.205 1.00 0.00 C ATOM 954 O PHE A 65 -0.671 13.051 0.444 1.00 0.00 O ATOM 955 CB PHE A 65 0.265 10.426 -1.478 1.00 0.00 C ATOM 956 CG PHE A 65 0.578 8.930 -1.538 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.867 8.501 -1.478 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.434 8.028 -1.651 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.157 7.112 -1.533 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.144 6.639 -1.706 1.00 0.00 C ATOM 961 CZ PHE A 65 1.145 6.211 -1.646 1.00 0.00 C ATOM 0 H PHE A 65 -1.285 10.639 0.769 1.00 0.00 H new ATOM 0 HA PHE A 65 1.608 10.957 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.788 10.576 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.843 10.939 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.671 9.217 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.458 8.368 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.181 6.771 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.947 5.923 -1.795 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.365 5.155 -1.688 1.00 0.00 H new ATOM 971 N ALA A 66 1.051 13.259 -1.007 1.00 0.00 N ATOM 972 CA ALA A 66 0.877 14.691 -1.182 1.00 0.00 C ATOM 973 C ALA A 66 -0.178 14.943 -2.261 1.00 0.00 C ATOM 974 O ALA A 66 -1.008 15.841 -2.125 1.00 0.00 O ATOM 975 CB ALA A 66 2.224 15.331 -1.522 1.00 0.00 C ATOM 0 H ALA A 66 1.819 12.854 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 66 0.522 15.151 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.094 16.405 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.929 15.147 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.611 14.897 -2.444 1.00 0.00 H new ATOM 981 N ASP A 67 -0.111 14.136 -3.309 1.00 0.00 N ATOM 982 CA ASP A 67 -1.050 14.260 -4.411 1.00 0.00 C ATOM 983 C ASP A 67 -2.149 13.206 -4.261 1.00 0.00 C ATOM 984 O ASP A 67 -1.948 12.183 -3.609 1.00 0.00 O ATOM 985 CB ASP A 67 -0.356 14.031 -5.755 1.00 0.00 C ATOM 986 CG ASP A 67 0.693 15.081 -6.129 1.00 0.00 C ATOM 987 OD1 ASP A 67 0.570 16.214 -5.614 1.00 0.00 O ATOM 988 OD2 ASP A 67 1.593 14.727 -6.920 1.00 0.00 O ATOM 0 H ASP A 67 0.579 13.393 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.466 15.267 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.122 13.052 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.114 14.002 -6.538 1.00 0.00 H new ATOM 993 N SER A 68 -3.287 13.493 -4.876 1.00 0.00 N ATOM 994 CA SER A 68 -4.418 12.582 -4.818 1.00 0.00 C ATOM 995 C SER A 68 -4.302 11.534 -5.927 1.00 0.00 C ATOM 996 O SER A 68 -4.153 10.345 -5.648 1.00 0.00 O ATOM 997 CB SER A 68 -5.742 13.340 -4.941 1.00 0.00 C ATOM 998 OG SER A 68 -5.907 13.921 -6.232 1.00 0.00 O ATOM 0 H SER A 68 -3.450 14.343 -5.416 1.00 0.00 H new ATOM 0 HA SER A 68 -4.405 12.081 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.569 12.659 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.783 14.123 -4.183 1.00 0.00 H new ATOM 0 HG SER A 68 -6.764 14.394 -6.271 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.376 12.012 -7.160 1.00 0.00 N ATOM 1005 CA HIS A 69 -4.281 11.131 -8.311 1.00 0.00 C ATOM 1006 C HIS A 69 -3.144 10.130 -8.099 1.00 0.00 C ATOM 1007 O HIS A 69 -3.248 8.972 -8.501 1.00 0.00 O ATOM 1008 CB HIS A 69 -4.127 11.938 -9.602 1.00 0.00 C ATOM 1009 CG HIS A 69 -2.796 12.638 -9.734 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.557 13.898 -9.214 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -1.635 12.240 -10.330 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -1.305 14.234 -9.492 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -0.736 13.206 -10.184 1.00 0.00 N ATOM 0 H HIS A 69 -4.501 12.999 -7.387 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.205 10.562 -8.415 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.261 11.271 -10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.923 12.681 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.475 11.299 -10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.821 15.160 -9.218 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.222 13.183 -10.532 1.00 0.00 H new ATOM 1021 N SER A 70 -2.084 10.612 -7.467 1.00 0.00 N ATOM 1022 CA SER A 70 -0.929 9.774 -7.197 1.00 0.00 C ATOM 1023 C SER A 70 -1.377 8.450 -6.574 1.00 0.00 C ATOM 1024 O SER A 70 -0.807 7.399 -6.864 1.00 0.00 O ATOM 1025 CB SER A 70 0.064 10.485 -6.274 1.00 0.00 C ATOM 1026 OG SER A 70 -0.542 10.890 -5.050 1.00 0.00 O ATOM 0 H SER A 70 -2.001 11.573 -7.134 1.00 0.00 H new ATOM 0 HA SER A 70 -0.425 9.572 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.901 9.820 -6.062 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.471 11.358 -6.783 1.00 0.00 H new ATOM 0 HG SER A 70 0.151 11.193 -4.426 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.393 8.544 -5.730 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.924 7.367 -5.064 1.00 0.00 C ATOM 1034 C ALA A 71 -3.721 6.533 -6.070 1.00 0.00 C ATOM 1035 O ALA A 71 -3.490 5.332 -6.206 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.770 7.797 -3.864 1.00 0.00 C ATOM 0 H ALA A 71 -2.863 9.417 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.115 6.743 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.168 6.914 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.151 8.361 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.594 8.423 -4.206 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.641 7.202 -6.748 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.473 6.538 -7.737 1.00 0.00 C ATOM 1044 C LEU A 72 -4.593 5.661 -8.630 1.00 0.00 C ATOM 1045 O LEU A 72 -4.903 4.492 -8.857 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.307 7.561 -8.510 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.959 7.728 -9.991 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.356 6.486 -10.791 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.587 9.002 -10.561 1.00 0.00 C ATOM 0 H LEU A 72 -4.829 8.198 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.192 5.879 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.357 7.277 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.202 8.530 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.878 7.835 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.098 6.631 -11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.824 5.618 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.430 6.323 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.324 9.097 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.671 8.950 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.213 9.868 -10.014 1.00 0.00 H new ATOM 1061 N SER A 73 -3.513 6.258 -9.113 1.00 0.00 N ATOM 1062 CA SER A 73 -2.587 5.546 -9.976 1.00 0.00 C ATOM 1063 C SER A 73 -2.131 4.251 -9.299 1.00 0.00 C ATOM 1064 O SER A 73 -1.868 3.255 -9.971 1.00 0.00 O ATOM 1065 CB SER A 73 -1.378 6.417 -10.324 1.00 0.00 C ATOM 1066 OG SER A 73 -1.431 6.891 -11.667 1.00 0.00 O ATOM 0 H SER A 73 -3.259 7.227 -8.923 1.00 0.00 H new ATOM 0 HA SER A 73 -3.104 5.301 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.334 7.266 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.463 5.843 -10.178 1.00 0.00 H new ATOM 0 HG SER A 73 -0.643 7.444 -11.850 1.00 0.00 H new ATOM 1072 N VAL A 74 -2.051 4.308 -7.978 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.632 3.153 -7.203 1.00 0.00 C ATOM 1074 C VAL A 74 -2.835 2.237 -6.970 1.00 0.00 C ATOM 1075 O VAL A 74 -2.681 1.021 -6.860 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.966 3.609 -5.903 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.651 2.414 -5.000 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.295 4.426 -6.190 1.00 0.00 C ATOM 0 H VAL A 74 -2.269 5.136 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.886 2.576 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.669 4.253 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.178 2.766 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.575 1.890 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.025 1.734 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.749 4.738 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.004 3.816 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.032 5.307 -6.775 1.00 0.00 H new ATOM 1088 N LEU A 75 -4.004 2.855 -6.900 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.233 2.110 -6.682 1.00 0.00 C ATOM 1090 C LEU A 75 -5.385 1.054 -7.778 1.00 0.00 C ATOM 1091 O LEU A 75 -5.998 0.010 -7.558 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.425 3.063 -6.575 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.732 3.600 -5.176 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -5.574 4.451 -4.649 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -8.058 4.363 -5.160 1.00 0.00 C ATOM 0 H LEU A 75 -4.127 3.864 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.194 1.579 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.247 3.911 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.311 2.548 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.841 2.751 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.818 4.820 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.670 3.844 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.409 5.295 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.252 4.734 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.003 5.203 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.865 3.696 -5.463 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.817 1.361 -8.935 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.882 0.451 -10.065 1.00 0.00 C ATOM 1109 C ASP A 76 -3.657 -0.465 -10.048 1.00 0.00 C ATOM 1110 O ASP A 76 -3.789 -1.685 -10.132 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.881 1.217 -11.390 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.022 0.860 -12.345 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.053 -0.312 -12.778 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.836 1.768 -12.620 1.00 0.00 O ATOM 0 H ASP A 76 -4.310 2.228 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.804 -0.125 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.928 2.285 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.933 1.035 -11.897 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.493 0.158 -9.940 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.246 -0.586 -9.910 1.00 0.00 C ATOM 1121 C VAL A 77 -1.283 -1.591 -8.757 1.00 0.00 C ATOM 1122 O VAL A 77 -0.506 -2.545 -8.734 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.062 0.379 -9.824 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.267 -0.379 -9.844 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -0.118 1.418 -10.946 1.00 0.00 C ATOM 0 H VAL A 77 -2.387 1.170 -9.872 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.119 -1.154 -10.832 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.131 0.909 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.092 0.331 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.310 -1.061 -8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.347 -0.948 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.735 2.091 -10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.087 0.913 -11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.042 1.991 -10.866 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.194 -1.343 -7.828 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.343 -2.215 -6.675 1.00 0.00 C ATOM 1137 C ASP A 78 -2.295 -3.673 -7.133 1.00 0.00 C ATOM 1138 O ASP A 78 -1.816 -4.541 -6.405 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.686 -1.982 -5.978 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.905 -2.520 -6.729 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.924 -2.363 -7.969 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.791 -3.078 -6.046 1.00 0.00 O ATOM 0 H ASP A 78 -2.836 -0.551 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.533 -1.995 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.652 -2.445 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.817 -0.911 -5.823 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.797 -3.898 -8.338 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.817 -5.237 -8.903 1.00 0.00 C ATOM 1149 C GLY A 79 -1.443 -5.901 -8.789 1.00 0.00 C ATOM 1150 O GLY A 79 -1.336 -7.126 -8.830 1.00 0.00 O ATOM 0 H GLY A 79 -3.193 -3.176 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.561 -5.843 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.116 -5.189 -9.950 1.00 0.00 H new ATOM 1154 N MET A 80 -0.426 -5.063 -8.647 1.00 0.00 N ATOM 1155 CA MET A 80 0.936 -5.553 -8.526 1.00 0.00 C ATOM 1156 C MET A 80 1.088 -6.453 -7.299 1.00 0.00 C ATOM 1157 O MET A 80 0.390 -6.274 -6.302 1.00 0.00 O ATOM 1158 CB MET A 80 1.897 -4.368 -8.413 1.00 0.00 C ATOM 1159 CG MET A 80 1.727 -3.651 -7.072 1.00 0.00 C ATOM 1160 SD MET A 80 2.942 -2.352 -6.916 1.00 0.00 S ATOM 1161 CE MET A 80 2.287 -1.482 -5.502 1.00 0.00 C ATOM 0 H MET A 80 -0.519 -4.048 -8.613 1.00 0.00 H new ATOM 0 HA MET A 80 1.171 -6.139 -9.414 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.924 -4.717 -8.515 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.715 -3.669 -9.229 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.723 -3.232 -6.999 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.836 -4.362 -6.253 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.342 -0.408 -5.678 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.248 -1.772 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.871 -1.734 -4.617 1.00 0.00 H new ATOM 1171 N LYS A 81 2.006 -7.402 -7.410 1.00 0.00 N ATOM 1172 CA LYS A 81 2.259 -8.331 -6.322 1.00 0.00 C ATOM 1173 C LYS A 81 3.622 -8.021 -5.700 1.00 0.00 C ATOM 1174 O LYS A 81 4.607 -7.838 -6.413 1.00 0.00 O ATOM 1175 CB LYS A 81 2.118 -9.775 -6.806 1.00 0.00 C ATOM 1176 CG LYS A 81 0.647 -10.190 -6.871 1.00 0.00 C ATOM 1177 CD LYS A 81 0.306 -10.790 -8.236 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.594 -12.018 -8.086 1.00 0.00 C ATOM 1179 NZ LYS A 81 0.017 -13.193 -8.747 1.00 0.00 N ATOM 0 H LYS A 81 2.584 -7.548 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 81 1.514 -8.209 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.573 -9.878 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.658 -10.442 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.436 -10.917 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.013 -9.324 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.193 -10.042 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.224 -11.068 -8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.755 -12.231 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.572 -11.815 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.607 -14.018 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.148 -12.993 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.939 -13.396 -8.312 1.00 0.00 H new ATOM 1193 N VAL A 82 3.636 -7.973 -4.376 1.00 0.00 N ATOM 1194 CA VAL A 82 4.862 -7.689 -3.649 1.00 0.00 C ATOM 1195 C VAL A 82 5.390 -8.982 -3.025 1.00 0.00 C ATOM 1196 O VAL A 82 4.724 -9.589 -2.188 1.00 0.00 O ATOM 1197 CB VAL A 82 4.616 -6.584 -2.620 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.885 -6.292 -1.816 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.089 -5.316 -3.292 1.00 0.00 C ATOM 0 H VAL A 82 2.817 -8.126 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 82 5.631 -7.318 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 82 3.853 -6.936 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.683 -5.503 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.199 -7.194 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.678 -5.970 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.923 -4.547 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.819 -4.960 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.149 -5.536 -3.799 1.00 0.00 H new ATOM 1209 N LYS A 83 6.584 -9.365 -3.455 1.00 0.00 N ATOM 1210 CA LYS A 83 7.209 -10.574 -2.948 1.00 0.00 C ATOM 1211 C LYS A 83 6.303 -11.772 -3.238 1.00 0.00 C ATOM 1212 O LYS A 83 6.278 -12.735 -2.473 1.00 0.00 O ATOM 1213 CB LYS A 83 7.564 -10.415 -1.469 1.00 0.00 C ATOM 1214 CG LYS A 83 9.002 -9.919 -1.299 1.00 0.00 C ATOM 1215 CD LYS A 83 9.060 -8.391 -1.313 1.00 0.00 C ATOM 1216 CE LYS A 83 10.508 -7.898 -1.342 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.162 -8.134 -0.035 1.00 0.00 N ATOM 0 H LYS A 83 7.134 -8.859 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 83 8.154 -10.757 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.876 -9.712 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.442 -11.370 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.411 -10.293 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.625 -10.317 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.525 -8.011 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.555 -7.996 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.058 -8.414 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.532 -6.835 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.133 -7.763 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.626 -7.650 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.187 -9.155 0.162 1.00 0.00 H new ATOM 1231 N GLY A 84 5.580 -11.673 -4.344 1.00 0.00 N ATOM 1232 CA GLY A 84 4.674 -12.736 -4.744 1.00 0.00 C ATOM 1233 C GLY A 84 3.335 -12.620 -4.012 1.00 0.00 C ATOM 1234 O GLY A 84 2.378 -13.317 -4.347 1.00 0.00 O ATOM 0 H GLY A 84 5.603 -10.873 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.509 -12.692 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.127 -13.704 -4.530 1.00 0.00 H new ATOM 1238 N ARG A 85 3.310 -11.734 -3.027 1.00 0.00 N ATOM 1239 CA ARG A 85 2.105 -11.518 -2.246 1.00 0.00 C ATOM 1240 C ARG A 85 1.248 -10.423 -2.884 1.00 0.00 C ATOM 1241 O ARG A 85 1.695 -9.287 -3.033 1.00 0.00 O ATOM 1242 CB ARG A 85 2.445 -11.117 -0.809 1.00 0.00 C ATOM 1243 CG ARG A 85 1.966 -12.178 0.184 1.00 0.00 C ATOM 1244 CD ARG A 85 3.062 -13.212 0.452 1.00 0.00 C ATOM 1245 NE ARG A 85 4.205 -12.571 1.141 1.00 0.00 N ATOM 1246 CZ ARG A 85 5.430 -13.107 1.220 1.00 0.00 C ATOM 1247 NH1 ARG A 85 5.679 -14.296 0.655 1.00 0.00 N ATOM 1248 NH2 ARG A 85 6.407 -12.454 1.865 1.00 0.00 N ATOM 0 H ARG A 85 4.105 -11.158 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 85 1.549 -12.455 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.522 -10.982 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.981 -10.159 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.675 -11.701 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.080 -12.676 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.667 -14.023 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.394 -13.654 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 85 4.050 -11.665 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.936 -14.793 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.612 -14.704 0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.218 -11.549 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.340 -12.862 1.925 1.00 0.00 H new ATOM 1262 N ALA A 86 0.031 -10.804 -3.244 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.893 -9.869 -3.863 1.00 0.00 C ATOM 1264 C ALA A 86 -1.275 -8.789 -2.849 1.00 0.00 C ATOM 1265 O ALA A 86 -1.641 -9.098 -1.716 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.111 -10.629 -4.392 1.00 0.00 C ATOM 0 H ALA A 86 -0.336 -11.747 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.424 -9.372 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.804 -9.927 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.789 -11.363 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.609 -11.138 -3.567 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.178 -7.544 -3.293 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.509 -6.417 -2.438 1.00 0.00 C ATOM 1274 C VAL A 87 -2.791 -5.756 -2.946 1.00 0.00 C ATOM 1275 O VAL A 87 -3.212 -5.997 -4.077 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.326 -5.449 -2.367 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.240 -5.171 -3.761 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.722 -4.149 -1.666 1.00 0.00 C ATOM 0 H VAL A 87 -0.875 -7.291 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.699 -6.754 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 87 0.458 -5.922 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.079 -4.480 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.580 -6.105 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.535 -4.729 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.137 -3.479 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.532 -3.671 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.054 -4.369 -0.651 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.378 -4.936 -2.087 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.604 -4.239 -2.434 1.00 0.00 C ATOM 1290 C LYS A 88 -4.618 -2.869 -1.752 1.00 0.00 C ATOM 1291 O LYS A 88 -4.502 -2.780 -0.530 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.823 -5.102 -2.106 1.00 0.00 C ATOM 1293 CG LYS A 88 -7.122 -4.328 -2.339 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.316 -5.280 -2.444 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.631 -4.503 -2.520 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.897 -4.067 -3.909 1.00 0.00 N ATOM 0 H LYS A 88 -3.026 -4.739 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.649 -4.061 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.814 -6.000 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.772 -5.430 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.283 -3.626 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.040 -3.739 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.209 -5.908 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.332 -5.946 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.451 -5.128 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.586 -3.635 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.794 -3.541 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.123 -3.453 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.961 -4.900 -4.528 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.762 -1.837 -2.570 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.793 -0.477 -2.060 1.00 0.00 C ATOM 1312 C ILE A 89 -6.156 0.147 -2.367 1.00 0.00 C ATOM 1313 O ILE A 89 -6.488 0.380 -3.529 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.611 0.327 -2.605 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.281 -0.300 -2.184 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.709 1.796 -2.191 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.612 -1.011 -3.362 1.00 0.00 C ATOM 0 H ILE A 89 -4.859 -1.915 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.677 -0.474 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.651 0.297 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.617 0.473 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.450 -1.010 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.857 2.345 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.632 2.224 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.708 1.868 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.668 -1.448 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.268 -1.799 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.422 -0.293 -4.160 1.00 0.00 H new ATOM 1329 N SER A 90 -6.908 0.400 -1.306 1.00 0.00 N ATOM 1330 CA SER A 90 -8.227 0.993 -1.449 1.00 0.00 C ATOM 1331 C SER A 90 -8.237 2.398 -0.842 1.00 0.00 C ATOM 1332 O SER A 90 -7.330 2.762 -0.096 1.00 0.00 O ATOM 1333 CB SER A 90 -9.297 0.122 -0.788 1.00 0.00 C ATOM 1334 OG SER A 90 -9.158 -1.252 -1.139 1.00 0.00 O ATOM 0 H SER A 90 -6.629 0.205 -0.344 1.00 0.00 H new ATOM 0 HA SER A 90 -8.458 1.061 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.233 0.228 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.285 0.474 -1.085 1.00 0.00 H new ATOM 0 HG SER A 90 -9.858 -1.775 -0.696 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.274 3.148 -1.186 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.414 4.505 -0.685 1.00 0.00 C ATOM 1342 C GLY A 91 -10.518 4.588 0.372 1.00 0.00 C ATOM 1343 O GLY A 91 -11.701 4.500 0.047 1.00 0.00 O ATOM 0 H GLY A 91 -10.025 2.842 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.469 4.837 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.644 5.179 -1.510 1.00 0.00 H new