USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 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 31 THR OG1 : rot 69:sc= 0.873 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.223 K(o=1.1,f=-2.3) USER MOD Set 2.1: A 27 THR OG1 : rot -92:sc= 1.84 USER MOD Set 2.2: A 50 SER OG : rot -117:sc= 0.709 USER MOD Set 3.1: A 12 SER OG : rot -112:sc= 0.972 USER MOD Set 3.2: A 14 THR OG1 : rot -148:sc= 1.81 USER MOD Set 3.3: A 59 TYR OH : rot 180:sc= 0.536 USER MOD Single : A 9 ASN : amide:sc= 0.767 K(o=0.77,f=-0.087) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0176) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0077 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 36 THR OG1 : rot 137:sc= 0.355 USER MOD Single : A 41 ASN : amide:sc= -0.755 K(o=-0.76,f=-3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -5.51! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.0591 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.678 -13.105 16.736 1.00 4.54 N ATOM 164 CA GLY A 8 -6.041 -13.525 18.077 1.00 1.12 C ATOM 165 C GLY A 8 -7.515 -13.321 18.369 1.00 12.44 C ATOM 166 O GLY A 8 -8.007 -12.194 18.355 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.791 -14.578 18.205 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.449 -12.966 18.802 1.00 1.12 H new ATOM 170 N ASN A 9 -8.221 -14.416 18.633 1.00 51.20 N ATOM 171 CA ASN A 9 -9.648 -14.352 18.927 1.00 63.11 C ATOM 172 C ASN A 9 -10.101 -15.588 19.698 1.00 4.24 C ATOM 173 O ASN A 9 -9.978 -16.713 19.215 1.00 20.25 O ATOM 174 CB ASN A 9 -10.452 -14.223 17.632 1.00 62.31 C ATOM 175 CG ASN A 9 -11.912 -14.588 17.819 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.494 -15.299 17.000 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.509 -14.101 18.900 1.00 54.03 N ATOM 0 H ASN A 9 -7.828 -15.357 18.649 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.826 -13.473 19.547 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.380 -13.200 17.264 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -10.014 -14.867 16.870 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.491 -14.312 19.079 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.986 -13.516 19.551 1.00 54.03 H new ATOM 184 N VAL A 10 -10.624 -15.370 20.900 1.00 11.42 N ATOM 185 CA VAL A 10 -11.097 -16.465 21.739 1.00 24.54 C ATOM 186 C VAL A 10 -12.619 -16.471 21.829 1.00 65.31 C ATOM 187 O VAL A 10 -13.241 -15.443 22.096 1.00 73.33 O ATOM 188 CB VAL A 10 -10.510 -16.377 23.161 1.00 72.34 C ATOM 189 CG1 VAL A 10 -11.037 -17.512 24.026 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.990 -16.395 23.111 1.00 42.41 C ATOM 0 H VAL A 10 -10.731 -14.444 21.315 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.760 -17.390 21.271 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.825 -15.434 23.609 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.612 -17.434 25.027 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.123 -17.449 24.087 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.754 -18.468 23.585 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.592 -16.332 24.124 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.652 -17.321 22.645 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.635 -15.545 22.528 1.00 42.41 H new ATOM 200 N THR A 11 -13.214 -17.639 21.604 1.00 10.10 N ATOM 201 CA THR A 11 -14.664 -17.780 21.658 1.00 34.03 C ATOM 202 C THR A 11 -15.071 -18.916 22.590 1.00 20.04 C ATOM 203 O THR A 11 -14.231 -19.699 23.033 1.00 73.43 O ATOM 204 CB THR A 11 -15.256 -18.041 20.260 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.420 -18.951 19.537 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.396 -16.743 19.480 1.00 3.03 C ATOM 0 H THR A 11 -12.714 -18.500 21.383 1.00 10.10 H new ATOM 0 HA THR A 11 -15.059 -16.839 22.041 1.00 34.03 H new ATOM 0 HB THR A 11 -16.246 -18.479 20.385 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.804 -19.113 18.650 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.816 -16.953 18.496 1.00 3.03 H new ATOM 0 HG22 THR A 11 -16.057 -16.064 20.019 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.416 -16.280 19.365 1.00 3.03 H new ATOM 214 N SER A 12 -16.364 -18.998 22.885 1.00 72.20 N ATOM 215 CA SER A 12 -16.883 -20.037 23.768 1.00 63.13 C ATOM 216 C SER A 12 -17.259 -21.285 22.975 1.00 64.31 C ATOM 217 O SER A 12 -17.640 -21.203 21.808 1.00 41.10 O ATOM 218 CB SER A 12 -18.100 -19.521 24.537 1.00 31.13 C ATOM 219 OG SER A 12 -18.234 -20.183 25.783 1.00 24.24 O ATOM 0 H SER A 12 -17.072 -18.358 22.526 1.00 72.20 H new ATOM 0 HA SER A 12 -16.099 -20.301 24.478 1.00 63.13 H new ATOM 0 HB2 SER A 12 -18.003 -18.448 24.700 1.00 31.13 H new ATOM 0 HB3 SER A 12 -19.001 -19.672 23.942 1.00 31.13 H new ATOM 0 HG SER A 12 -19.039 -20.742 25.771 1.00 24.24 H new ATOM 225 N LYS A 13 -17.149 -22.443 23.619 1.00 44.22 N ATOM 226 CA LYS A 13 -17.477 -23.710 22.978 1.00 60.22 C ATOM 227 C LYS A 13 -18.941 -24.071 23.205 1.00 54.30 C ATOM 228 O LYS A 13 -19.352 -25.212 22.988 1.00 2.34 O ATOM 229 CB LYS A 13 -16.577 -24.826 23.514 1.00 51.22 C ATOM 230 CG LYS A 13 -16.492 -26.033 22.596 1.00 2.31 C ATOM 231 CD LYS A 13 -16.327 -27.322 23.383 1.00 13.33 C ATOM 232 CE LYS A 13 -15.739 -28.430 22.523 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.608 -28.744 21.355 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.835 -22.529 24.586 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.309 -23.600 21.907 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.574 -24.429 23.671 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.950 -25.146 24.487 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.393 -26.091 21.986 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.651 -25.913 21.913 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.680 -27.145 24.242 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -17.295 -27.638 23.773 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.751 -28.132 22.171 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -15.605 -29.327 23.128 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.218 -29.559 20.841 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -17.567 -28.971 21.687 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.647 -27.921 20.720 1.00 51.21 H new ATOM 247 N THR A 14 -19.727 -23.092 23.642 1.00 41.41 N ATOM 248 CA THR A 14 -21.145 -23.306 23.898 1.00 75.14 C ATOM 249 C THR A 14 -21.986 -22.938 22.681 1.00 53.42 C ATOM 250 O THR A 14 -22.720 -23.770 22.146 1.00 1.11 O ATOM 251 CB THR A 14 -21.629 -22.484 25.108 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.705 -21.424 25.380 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.772 -23.367 26.339 1.00 0.42 C ATOM 0 H THR A 14 -19.404 -22.142 23.826 1.00 41.41 H new ATOM 0 HA THR A 14 -21.269 -24.367 24.115 1.00 75.14 H new ATOM 0 HB THR A 14 -22.605 -22.063 24.867 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.691 -21.241 26.343 1.00 34.11 H new ATOM 0 HG21 THR A 14 -22.115 -22.765 27.181 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.496 -24.156 26.138 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.807 -23.813 26.581 1.00 0.42 H new ATOM 261 N ASP A 15 -21.874 -21.687 22.246 1.00 13.30 N ATOM 262 CA ASP A 15 -22.623 -21.210 21.089 1.00 3.24 C ATOM 263 C ASP A 15 -21.678 -20.755 19.981 1.00 54.23 C ATOM 264 O ASP A 15 -22.030 -20.782 18.802 1.00 30.21 O ATOM 265 CB ASP A 15 -23.546 -20.058 21.492 1.00 34.54 C ATOM 266 CG ASP A 15 -24.810 -20.544 22.177 1.00 5.42 C ATOM 267 OD1 ASP A 15 -25.162 -19.984 23.236 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.445 -21.482 21.654 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.272 -20.986 22.677 1.00 13.30 H new ATOM 0 HA ASP A 15 -23.227 -22.035 20.712 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.010 -19.383 22.160 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.814 -19.483 20.605 1.00 34.54 H new ATOM 273 N GLY A 16 -20.477 -20.337 20.368 1.00 45.50 N ATOM 274 CA GLY A 16 -19.501 -19.881 19.395 1.00 13.14 C ATOM 275 C GLY A 16 -19.398 -18.369 19.341 1.00 50.04 C ATOM 276 O GLY A 16 -19.079 -17.801 18.298 1.00 53.34 O ATOM 0 H GLY A 16 -20.162 -20.306 21.338 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.525 -20.300 19.640 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.772 -20.259 18.409 1.00 13.14 H new ATOM 280 N GLN A 17 -19.670 -17.719 20.467 1.00 15.14 N ATOM 281 CA GLN A 17 -19.609 -16.263 20.543 1.00 71.43 C ATOM 282 C GLN A 17 -18.270 -15.803 21.110 1.00 32.32 C ATOM 283 O GLN A 17 -17.553 -16.561 21.764 1.00 12.20 O ATOM 284 CB GLN A 17 -20.753 -15.728 21.404 1.00 54.31 C ATOM 285 CG GLN A 17 -22.028 -15.454 20.622 1.00 63.40 C ATOM 286 CD GLN A 17 -23.020 -14.611 21.399 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.969 -14.546 22.627 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.930 -13.959 20.685 1.00 74.15 N ATOM 0 H GLN A 17 -19.935 -18.176 21.339 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.709 -15.867 19.532 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.969 -16.447 22.194 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.430 -14.808 21.891 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.776 -14.946 19.691 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.495 -16.401 20.352 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.936 -14.042 19.668 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.623 -13.376 21.153 1.00 74.15 H new ATOM 297 N PRO A 18 -17.924 -14.533 20.855 1.00 51.11 N ATOM 298 CA PRO A 18 -16.670 -13.944 21.332 1.00 61.23 C ATOM 299 C PRO A 18 -16.661 -13.746 22.843 1.00 5.35 C ATOM 300 O PRO A 18 -17.619 -13.230 23.418 1.00 41.13 O ATOM 301 CB PRO A 18 -16.618 -12.593 20.615 1.00 11.54 C ATOM 302 CG PRO A 18 -18.041 -12.261 20.328 1.00 0.34 C ATOM 303 CD PRO A 18 -18.730 -13.574 20.081 1.00 14.12 C ATOM 0 HA PRO A 18 -15.813 -14.585 21.125 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.152 -11.831 21.240 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -16.033 -12.654 19.697 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.495 -11.733 21.167 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.122 -11.608 19.459 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.766 -13.554 20.420 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.746 -13.826 19.021 1.00 14.12 H new ATOM 311 N ILE A 19 -15.571 -14.159 23.483 1.00 51.31 N ATOM 312 CA ILE A 19 -15.437 -14.025 24.928 1.00 72.32 C ATOM 313 C ILE A 19 -15.087 -12.593 25.318 1.00 61.13 C ATOM 314 O ILE A 19 -14.038 -12.073 24.933 1.00 31.30 O ATOM 315 CB ILE A 19 -14.359 -14.974 25.484 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.548 -16.383 24.918 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.408 -14.998 27.004 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.912 -16.970 25.201 1.00 75.31 C ATOM 0 H ILE A 19 -14.769 -14.589 23.023 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.402 -14.291 25.360 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.380 -14.607 25.177 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.389 -16.357 23.840 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.785 -17.039 25.337 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.640 -15.673 27.382 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.230 -13.994 27.390 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.389 -15.344 27.331 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.974 -17.969 24.771 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.066 -17.029 26.278 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.680 -16.336 24.758 1.00 75.31 H new ATOM 330 N ILE A 20 -15.970 -11.961 26.083 1.00 0.14 N ATOM 331 CA ILE A 20 -15.752 -10.590 26.527 1.00 33.25 C ATOM 332 C ILE A 20 -15.440 -10.538 28.019 1.00 4.43 C ATOM 333 O ILE A 20 -16.128 -11.157 28.830 1.00 31.01 O ATOM 334 CB ILE A 20 -16.978 -9.704 26.239 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.462 -9.914 24.803 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.643 -8.240 26.482 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.719 -9.142 24.469 1.00 42.20 C ATOM 0 H ILE A 20 -16.843 -12.376 26.408 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.898 -10.209 25.967 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.781 -9.990 26.918 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.670 -9.618 24.115 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.644 -10.976 24.642 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.520 -7.627 26.274 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.342 -8.103 27.521 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.826 -7.940 25.825 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.003 -9.339 23.435 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.525 -9.454 25.133 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.536 -8.075 24.598 1.00 42.20 H new ATOM 349 N GLY A 21 -14.398 -9.793 28.374 1.00 4.13 N ATOM 350 CA GLY A 21 -14.013 -9.672 29.769 1.00 62.52 C ATOM 351 C GLY A 21 -13.096 -10.793 30.216 1.00 10.52 C ATOM 352 O GLY A 21 -13.130 -11.207 31.375 1.00 13.11 O ATOM 0 H GLY A 21 -13.813 -9.271 27.721 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.514 -8.715 29.923 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.908 -9.669 30.391 1.00 62.52 H new ATOM 356 N ALA A 22 -12.274 -11.287 29.296 1.00 14.24 N ATOM 357 CA ALA A 22 -11.344 -12.366 29.602 1.00 24.05 C ATOM 358 C ALA A 22 -10.038 -11.821 30.170 1.00 13.45 C ATOM 359 O ALA A 22 -9.661 -10.681 29.900 1.00 23.13 O ATOM 360 CB ALA A 22 -11.074 -13.199 28.358 1.00 63.11 C ATOM 0 H ALA A 22 -12.234 -10.956 28.332 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.801 -13.002 30.360 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.378 -14.001 28.601 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.009 -13.627 27.997 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.642 -12.566 27.583 1.00 63.11 H new ATOM 366 N SER A 23 -9.353 -12.641 30.960 1.00 20.43 N ATOM 367 CA SER A 23 -8.092 -12.240 31.571 1.00 45.41 C ATOM 368 C SER A 23 -6.915 -12.939 30.897 1.00 32.33 C ATOM 369 O SER A 23 -6.699 -14.137 31.085 1.00 40.44 O ATOM 370 CB SER A 23 -8.100 -12.558 33.068 1.00 52.44 C ATOM 371 OG SER A 23 -8.895 -11.628 33.782 1.00 21.24 O ATOM 0 H SER A 23 -9.651 -13.589 31.192 1.00 20.43 H new ATOM 0 HA SER A 23 -7.979 -11.164 31.437 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.483 -13.566 33.227 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.080 -12.540 33.452 1.00 52.44 H new ATOM 0 HG SER A 23 -8.885 -11.854 34.736 1.00 21.24 H new ATOM 377 N VAL A 24 -6.156 -12.182 30.111 1.00 70.10 N ATOM 378 CA VAL A 24 -5.000 -12.728 29.409 1.00 11.40 C ATOM 379 C VAL A 24 -3.715 -12.034 29.845 1.00 21.15 C ATOM 380 O VAL A 24 -3.635 -10.805 29.867 1.00 75.44 O ATOM 381 CB VAL A 24 -5.153 -12.588 27.883 1.00 12.12 C ATOM 382 CG1 VAL A 24 -5.459 -11.146 27.506 1.00 65.33 C ATOM 383 CG2 VAL A 24 -3.899 -13.078 27.175 1.00 64.12 C ATOM 0 H VAL A 24 -6.321 -11.189 29.944 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.944 -13.786 29.666 1.00 11.40 H new ATOM 0 HB VAL A 24 -5.990 -13.207 27.561 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -5.564 -11.067 26.424 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -6.388 -10.834 27.984 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.645 -10.502 27.840 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -4.025 -12.972 26.097 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -3.043 -12.487 27.501 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -3.730 -14.127 27.419 1.00 64.12 H new ATOM 393 N VAL A 25 -2.707 -12.830 30.193 1.00 54.40 N ATOM 394 CA VAL A 25 -1.424 -12.292 30.628 1.00 74.22 C ATOM 395 C VAL A 25 -0.274 -13.189 30.185 1.00 74.52 C ATOM 396 O VAL A 25 -0.483 -14.345 29.815 1.00 52.34 O ATOM 397 CB VAL A 25 -1.374 -12.129 32.158 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.546 -11.293 32.646 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.359 -13.490 32.838 1.00 31.03 C ATOM 0 H VAL A 25 -2.755 -13.849 30.182 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.317 -11.312 30.162 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.454 -11.607 32.420 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.493 -11.189 33.730 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.506 -10.306 32.185 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.481 -11.783 32.374 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.324 -13.356 33.919 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.261 -14.041 32.570 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.482 -14.050 32.513 1.00 31.03 H new ATOM 409 N GLU A 26 0.940 -12.650 30.225 1.00 60.03 N ATOM 410 CA GLU A 26 2.123 -13.404 29.827 1.00 2.03 C ATOM 411 C GLU A 26 2.656 -14.236 30.990 1.00 74.12 C ATOM 412 O GLU A 26 2.182 -14.119 32.121 1.00 32.34 O ATOM 413 CB GLU A 26 3.214 -12.455 29.324 1.00 54.12 C ATOM 414 CG GLU A 26 3.180 -12.231 27.821 1.00 11.04 C ATOM 415 CD GLU A 26 4.062 -13.206 27.066 1.00 42.11 C ATOM 416 OE1 GLU A 26 4.184 -13.064 25.831 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.632 -14.112 27.711 1.00 73.20 O1- ATOM 0 H GLU A 26 1.130 -11.695 30.529 1.00 60.03 H new ATOM 0 HA GLU A 26 1.837 -14.079 29.021 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.109 -11.494 29.829 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.189 -12.856 29.601 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.154 -12.326 27.466 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.500 -11.212 27.602 1.00 11.04 H new ATOM 424 N THR A 27 3.644 -15.078 30.704 1.00 32.44 N ATOM 425 CA THR A 27 4.239 -15.931 31.725 1.00 21.42 C ATOM 426 C THR A 27 5.106 -15.121 32.682 1.00 43.23 C ATOM 427 O THR A 27 5.075 -15.332 33.895 1.00 52.43 O ATOM 428 CB THR A 27 5.095 -17.047 31.095 1.00 43.33 C ATOM 429 OG1 THR A 27 5.589 -16.624 29.819 1.00 43.23 O ATOM 430 CG2 THR A 27 4.285 -18.324 30.932 1.00 11.11 C ATOM 0 H THR A 27 4.049 -15.187 29.774 1.00 32.44 H new ATOM 0 HA THR A 27 3.416 -16.382 32.279 1.00 21.42 H new ATOM 0 HB THR A 27 5.934 -17.250 31.760 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.962 -16.899 29.118 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.910 -19.097 30.485 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.935 -18.660 31.908 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.429 -18.132 30.286 1.00 11.11 H new ATOM 438 N THR A 28 5.881 -14.192 32.129 1.00 30.42 N ATOM 439 CA THR A 28 6.756 -13.351 32.934 1.00 4.41 C ATOM 440 C THR A 28 6.293 -11.898 32.915 1.00 13.12 C ATOM 441 O THR A 28 6.620 -11.121 33.812 1.00 64.00 O ATOM 442 CB THR A 28 8.213 -13.418 32.438 1.00 64.03 C ATOM 443 OG1 THR A 28 8.239 -13.533 31.011 1.00 63.55 O ATOM 444 CG2 THR A 28 8.943 -14.599 33.060 1.00 20.21 C ATOM 0 H THR A 28 5.920 -14.004 31.127 1.00 30.42 H new ATOM 0 HA THR A 28 6.708 -13.732 33.954 1.00 4.41 H new ATOM 0 HB THR A 28 8.718 -12.500 32.738 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.168 -13.573 30.703 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.970 -14.625 32.695 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.946 -14.494 34.145 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.437 -15.525 32.787 1.00 20.21 H new ATOM 452 N ALA A 29 5.528 -11.539 31.889 1.00 21.15 N ATOM 453 CA ALA A 29 5.017 -10.180 31.757 1.00 63.21 C ATOM 454 C ALA A 29 3.546 -10.106 32.150 1.00 61.33 C ATOM 455 O ALA A 29 2.684 -9.814 31.320 1.00 2.51 O ATOM 456 CB ALA A 29 5.210 -9.681 30.332 1.00 62.41 C ATOM 0 H ALA A 29 5.249 -12.170 31.138 1.00 21.15 H new ATOM 0 HA ALA A 29 5.580 -9.539 32.435 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.824 -8.665 30.247 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.272 -9.688 30.085 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.673 -10.332 29.643 1.00 62.41 H new ATOM 462 N THR A 30 3.263 -10.375 33.422 1.00 64.05 N ATOM 463 CA THR A 30 1.897 -10.341 33.924 1.00 52.03 C ATOM 464 C THR A 30 1.438 -8.909 34.175 1.00 44.32 C ATOM 465 O THR A 30 0.271 -8.574 33.969 1.00 33.44 O ATOM 466 CB THR A 30 1.758 -11.148 35.229 1.00 73.01 C ATOM 467 OG1 THR A 30 2.789 -10.775 36.148 1.00 1.52 O ATOM 468 CG2 THR A 30 1.835 -12.642 34.952 1.00 41.22 C ATOM 0 H THR A 30 3.964 -10.619 34.122 1.00 64.05 H new ATOM 0 HA THR A 30 1.268 -10.792 33.157 1.00 52.03 H new ATOM 0 HB THR A 30 0.785 -10.925 35.666 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.692 -11.291 36.975 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.734 -13.191 35.888 1.00 41.22 H new ATOM 0 HG22 THR A 30 1.030 -12.928 34.275 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.796 -12.878 34.494 1.00 41.22 H new ATOM 476 N THR A 31 2.365 -8.065 34.619 1.00 20.21 N ATOM 477 CA THR A 31 2.056 -6.669 34.899 1.00 74.23 C ATOM 478 C THR A 31 1.396 -6.001 33.697 1.00 5.21 C ATOM 479 O THR A 31 0.581 -5.092 33.851 1.00 44.33 O ATOM 480 CB THR A 31 3.322 -5.879 35.280 1.00 70.21 C ATOM 481 OG1 THR A 31 4.199 -5.785 34.153 1.00 65.04 O ATOM 482 CG2 THR A 31 4.047 -6.546 36.439 1.00 32.33 C ATOM 0 H THR A 31 3.336 -8.325 34.792 1.00 20.21 H new ATOM 0 HA THR A 31 1.365 -6.661 35.742 1.00 74.23 H new ATOM 0 HB THR A 31 3.020 -4.878 35.588 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.799 -5.201 33.475 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.938 -5.970 36.691 1.00 32.33 H new ATOM 0 HG22 THR A 31 3.386 -6.589 37.305 1.00 32.33 H new ATOM 0 HG23 THR A 31 4.337 -7.557 36.153 1.00 32.33 H new ATOM 490 N ASN A 32 1.755 -6.457 32.501 1.00 33.34 N ATOM 491 CA ASN A 32 1.197 -5.904 31.274 1.00 52.15 C ATOM 492 C ASN A 32 -0.012 -6.711 30.812 1.00 70.20 C ATOM 493 O ASN A 32 -0.280 -6.821 29.615 1.00 25.25 O ATOM 494 CB ASN A 32 2.259 -5.879 30.172 1.00 21.20 C ATOM 495 CG ASN A 32 3.645 -5.586 30.711 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.804 -4.825 31.667 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.658 -6.189 30.100 1.00 53.21 N ATOM 0 H ASN A 32 2.430 -7.208 32.356 1.00 33.34 H new ATOM 0 HA ASN A 32 0.872 -4.884 31.481 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.268 -6.840 29.658 1.00 21.20 H new ATOM 0 HB3 ASN A 32 1.993 -5.124 29.432 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.614 -6.030 30.419 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.480 -6.812 29.312 1.00 53.21 H new ATOM 504 N GLY A 33 -0.741 -7.276 31.770 1.00 61.22 N ATOM 505 CA GLY A 33 -1.913 -8.067 31.443 1.00 53.12 C ATOM 506 C GLY A 33 -2.998 -7.245 30.776 1.00 52.44 C ATOM 507 O GLY A 33 -3.143 -6.054 31.050 1.00 13.13 O ATOM 0 H GLY A 33 -0.541 -7.200 32.767 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.623 -8.885 30.783 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.310 -8.517 32.353 1.00 53.12 H new ATOM 511 N THR A 34 -3.762 -7.881 29.894 1.00 73.43 N ATOM 512 CA THR A 34 -4.838 -7.202 29.183 1.00 24.51 C ATOM 513 C THR A 34 -6.103 -8.052 29.156 1.00 64.20 C ATOM 514 O THR A 34 -6.083 -9.224 29.536 1.00 40.52 O ATOM 515 CB THR A 34 -4.430 -6.865 27.737 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.397 -5.989 27.146 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.305 -8.129 26.900 1.00 1.21 C ATOM 0 H THR A 34 -3.655 -8.867 29.655 1.00 73.43 H new ATOM 0 HA THR A 34 -5.037 -6.276 29.723 1.00 24.51 H new ATOM 0 HB THR A 34 -3.460 -6.369 27.764 1.00 43.53 H new ATOM 0 HG1 THR A 34 -5.129 -5.778 26.227 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.016 -7.865 25.883 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.547 -8.780 27.335 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.263 -8.649 26.881 1.00 1.21 H new ATOM 525 N ILE A 35 -7.201 -7.456 28.706 1.00 53.35 N ATOM 526 CA ILE A 35 -8.475 -8.160 28.629 1.00 41.13 C ATOM 527 C ILE A 35 -9.028 -8.142 27.207 1.00 31.20 C ATOM 528 O ILE A 35 -8.750 -7.226 26.432 1.00 21.21 O ATOM 529 CB ILE A 35 -9.517 -7.545 29.581 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.569 -6.027 29.404 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.194 -7.905 31.024 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.833 -5.397 29.946 1.00 62.41 C ATOM 0 H ILE A 35 -7.235 -6.487 28.389 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.285 -9.190 28.929 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.497 -7.954 29.336 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.708 -5.582 29.903 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.481 -5.790 28.344 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.940 -7.463 31.685 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.204 -8.989 31.140 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.207 -7.521 31.283 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.800 -4.319 29.786 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.698 -5.814 29.430 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.913 -5.603 31.013 1.00 62.41 H new ATOM 544 N THR A 36 -9.816 -9.159 26.871 1.00 11.05 N ATOM 545 CA THR A 36 -10.410 -9.260 25.544 1.00 11.35 C ATOM 546 C THR A 36 -11.498 -8.210 25.347 1.00 20.04 C ATOM 547 O THR A 36 -12.150 -7.791 26.305 1.00 42.14 O ATOM 548 CB THR A 36 -11.010 -10.657 25.302 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.811 -11.048 26.424 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.912 -11.686 25.074 1.00 55.34 C ATOM 0 H THR A 36 -10.057 -9.925 27.500 1.00 11.05 H new ATOM 0 HA THR A 36 -9.609 -9.088 24.825 1.00 11.35 H new ATOM 0 HB THR A 36 -11.634 -10.610 24.409 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.646 -11.451 26.106 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.360 -12.665 24.905 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.322 -11.402 24.202 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.266 -11.729 25.951 1.00 55.34 H new ATOM 558 N ASP A 37 -11.690 -7.790 24.102 1.00 12.13 N ATOM 559 CA ASP A 37 -12.702 -6.791 23.779 1.00 12.53 C ATOM 560 C ASP A 37 -14.031 -7.455 23.433 1.00 15.53 C ATOM 561 O ASP A 37 -14.163 -8.677 23.503 1.00 0.31 O ATOM 562 CB ASP A 37 -12.235 -5.919 22.613 1.00 5.44 C ATOM 563 CG ASP A 37 -10.959 -5.162 22.930 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.394 -4.538 22.008 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.527 -5.196 24.101 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.158 -8.126 23.299 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.849 -6.162 24.657 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -12.074 -6.546 21.736 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -13.021 -5.209 22.357 1.00 5.44 H new ATOM 570 N PHE A 38 -15.014 -6.641 23.061 1.00 33.31 N ATOM 571 CA PHE A 38 -16.333 -7.149 22.707 1.00 53.25 C ATOM 572 C PHE A 38 -16.247 -8.107 21.522 1.00 61.41 C ATOM 573 O PHE A 38 -17.051 -9.032 21.398 1.00 72.12 O ATOM 574 CB PHE A 38 -17.276 -5.991 22.372 1.00 35.41 C ATOM 575 CG PHE A 38 -18.610 -6.086 23.058 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.716 -6.579 22.386 1.00 64.43 C ATOM 577 CD2 PHE A 38 -18.756 -5.681 24.375 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.944 -6.668 23.013 1.00 20.23 C ATOM 579 CE2 PHE A 38 -19.982 -5.768 25.008 1.00 23.43 C ATOM 580 CZ PHE A 38 -21.076 -6.261 24.326 1.00 34.05 C ATOM 0 H PHE A 38 -14.921 -5.627 22.997 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.727 -7.694 23.565 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.799 -5.052 22.652 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.432 -5.961 21.294 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.617 -6.898 21.359 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -17.903 -5.293 24.913 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.798 -7.055 22.478 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -20.084 -5.450 26.035 1.00 23.43 H new ATOM 0 HZ PHE A 38 -22.035 -6.328 24.819 1.00 34.05 H new ATOM 590 N ASP A 39 -15.267 -7.879 20.655 1.00 22.51 N ATOM 591 CA ASP A 39 -15.074 -8.722 19.480 1.00 30.24 C ATOM 592 C ASP A 39 -14.500 -10.080 19.874 1.00 3.40 C ATOM 593 O ASP A 39 -14.573 -11.041 19.110 1.00 20.40 O ATOM 594 CB ASP A 39 -14.146 -8.033 18.479 1.00 73.22 C ATOM 595 CG ASP A 39 -14.863 -6.982 17.654 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.589 -7.362 16.712 1.00 51.04 O ATOM 597 OD2 ASP A 39 -14.697 -5.779 17.950 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.594 -7.118 20.743 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.046 -8.880 19.013 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.319 -7.568 19.015 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.714 -8.781 17.814 1.00 73.22 H new ATOM 602 N GLY A 40 -13.926 -10.149 21.072 1.00 73.03 N ATOM 603 CA GLY A 40 -13.347 -11.392 21.546 1.00 73.43 C ATOM 604 C GLY A 40 -11.889 -11.538 21.155 1.00 75.31 C ATOM 605 O GLY A 40 -11.391 -12.652 20.998 1.00 64.34 O ATOM 0 H GLY A 40 -13.852 -9.366 21.722 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.436 -11.440 22.631 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.914 -12.231 21.142 1.00 73.43 H new ATOM 609 N ASN A 41 -11.205 -10.411 20.995 1.00 12.43 N ATOM 610 CA ASN A 41 -9.797 -10.417 20.618 1.00 23.51 C ATOM 611 C ASN A 41 -8.979 -9.532 21.553 1.00 23.24 C ATOM 612 O ASN A 41 -9.531 -8.744 22.321 1.00 21.02 O ATOM 613 CB ASN A 41 -9.631 -9.943 19.174 1.00 52.24 C ATOM 614 CG ASN A 41 -10.225 -8.565 18.947 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.057 -7.663 19.766 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.925 -8.400 17.830 1.00 22.41 N ATOM 0 H ASN A 41 -11.603 -9.480 21.121 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.430 -11.440 20.701 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.571 -9.926 18.919 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.108 -10.657 18.503 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.349 -7.496 17.623 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.038 -9.177 17.179 1.00 22.41 H new ATOM 623 N PHE A 42 -7.658 -9.666 21.482 1.00 71.21 N ATOM 624 CA PHE A 42 -6.763 -8.879 22.322 1.00 52.03 C ATOM 625 C PHE A 42 -5.419 -8.664 21.632 1.00 31.22 C ATOM 626 O PHE A 42 -5.116 -9.302 20.623 1.00 60.33 O ATOM 627 CB PHE A 42 -6.553 -9.573 23.669 1.00 2.54 C ATOM 628 CG PHE A 42 -6.112 -11.003 23.546 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.772 -11.340 23.655 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.036 -12.009 23.319 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.363 -12.656 23.542 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.633 -13.327 23.205 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.295 -13.649 23.315 1.00 22.53 C ATOM 0 H PHE A 42 -7.184 -10.312 20.851 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.224 -7.906 22.491 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.808 -9.020 24.241 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.483 -9.536 24.236 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.039 -10.566 23.830 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.083 -11.762 23.230 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.316 -12.907 23.631 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.364 -14.103 23.030 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.977 -14.677 23.224 1.00 22.53 H new ATOM 643 N THR A 43 -4.615 -7.760 22.184 1.00 70.14 N ATOM 644 CA THR A 43 -3.305 -7.459 21.622 1.00 1.25 C ATOM 645 C THR A 43 -2.241 -7.395 22.713 1.00 72.34 C ATOM 646 O THR A 43 -2.379 -6.654 23.686 1.00 32.41 O ATOM 647 CB THR A 43 -3.315 -6.125 20.853 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.992 -5.800 20.415 1.00 61.44 O ATOM 649 CG2 THR A 43 -3.855 -5.002 21.726 1.00 0.43 C ATOM 0 H THR A 43 -4.849 -7.224 23.020 1.00 70.14 H new ATOM 0 HA THR A 43 -3.066 -8.266 20.930 1.00 1.25 H new ATOM 0 HB THR A 43 -3.966 -6.237 19.986 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.009 -4.951 19.926 1.00 61.44 H new ATOM 0 HG21 THR A 43 -3.853 -4.069 21.162 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.874 -5.238 22.033 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.226 -4.893 22.609 1.00 0.43 H new ATOM 657 N LEU A 44 -1.179 -8.176 22.543 1.00 30.33 N ATOM 658 CA LEU A 44 -0.090 -8.208 23.513 1.00 30.51 C ATOM 659 C LEU A 44 1.261 -8.054 22.820 1.00 15.23 C ATOM 660 O LEU A 44 1.564 -8.769 21.866 1.00 43.42 O ATOM 661 CB LEU A 44 -0.124 -9.517 24.304 1.00 2.24 C ATOM 662 CG LEU A 44 -0.820 -9.460 25.665 1.00 41.34 C ATOM 663 CD1 LEU A 44 -2.179 -10.139 25.597 1.00 14.32 C ATOM 664 CD2 LEU A 44 0.048 -10.105 26.736 1.00 72.23 C ATOM 0 H LEU A 44 -1.049 -8.795 21.743 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.223 -7.372 24.200 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.620 -10.273 23.696 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.902 -9.853 24.456 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.972 -8.414 25.931 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -2.660 -10.089 26.574 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.802 -9.633 24.860 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -2.050 -11.182 25.309 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -0.463 -10.055 27.697 1.00 72.23 H new ATOM 0 HD22 LEU A 44 0.232 -11.148 26.476 1.00 72.23 H new ATOM 0 HD23 LEU A 44 0.998 -9.575 26.802 1.00 72.23 H new ATOM 676 N SER A 45 2.068 -7.118 23.311 1.00 73.42 N ATOM 677 CA SER A 45 3.385 -6.869 22.738 1.00 30.11 C ATOM 678 C SER A 45 4.483 -7.435 23.636 1.00 54.45 C ATOM 679 O SER A 45 4.616 -7.042 24.795 1.00 53.14 O ATOM 680 CB SER A 45 3.600 -5.369 22.533 1.00 12.24 C ATOM 681 OG SER A 45 4.971 -5.074 22.330 1.00 52.35 O ATOM 0 H SER A 45 1.833 -6.521 24.103 1.00 73.42 H new ATOM 0 HA SER A 45 3.435 -7.370 21.772 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.021 -5.029 21.675 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.232 -4.823 23.402 1.00 12.24 H new ATOM 0 HG SER A 45 5.082 -4.109 22.200 1.00 52.35 H new ATOM 687 N VAL A 46 5.267 -8.359 23.090 1.00 11.02 N ATOM 688 CA VAL A 46 6.354 -8.978 23.839 1.00 13.10 C ATOM 689 C VAL A 46 7.597 -9.140 22.972 1.00 41.33 C ATOM 690 O VAL A 46 7.533 -9.600 21.831 1.00 34.03 O ATOM 691 CB VAL A 46 5.943 -10.356 24.390 1.00 71.43 C ATOM 692 CG1 VAL A 46 7.085 -10.980 25.176 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.695 -10.234 25.251 1.00 21.52 C ATOM 0 H VAL A 46 5.170 -8.695 22.132 1.00 11.02 H new ATOM 0 HA VAL A 46 6.581 -8.314 24.673 1.00 13.10 H new ATOM 0 HB VAL A 46 5.714 -11.011 23.549 1.00 71.43 H new ATOM 0 HG11 VAL A 46 6.775 -11.953 25.557 1.00 64.43 H new ATOM 0 HG12 VAL A 46 7.950 -11.104 24.524 1.00 64.43 H new ATOM 0 HG13 VAL A 46 7.350 -10.331 26.011 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.418 -11.217 25.632 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.894 -9.563 26.087 1.00 21.52 H new ATOM 0 HG23 VAL A 46 3.877 -9.834 24.652 1.00 21.52 H new ATOM 703 N PRO A 47 8.757 -8.752 23.521 1.00 12.13 N ATOM 704 CA PRO A 47 10.038 -8.845 22.815 1.00 2.21 C ATOM 705 C PRO A 47 10.495 -10.288 22.632 1.00 41.24 C ATOM 706 O PRO A 47 10.878 -10.693 21.533 1.00 33.23 O ATOM 707 CB PRO A 47 11.005 -8.091 23.732 1.00 32.44 C ATOM 708 CG PRO A 47 10.396 -8.192 25.089 1.00 60.01 C ATOM 709 CD PRO A 47 8.908 -8.193 24.876 1.00 52.01 C ATOM 0 HA PRO A 47 9.978 -8.435 21.807 1.00 2.21 H new ATOM 0 HB2 PRO A 47 12.000 -8.536 23.710 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.114 -7.051 23.423 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.718 -9.102 25.595 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.700 -7.354 25.716 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.396 -8.802 25.621 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.492 -7.188 24.945 1.00 52.01 H new ATOM 717 N VAL A 48 10.452 -11.060 23.713 1.00 62.33 N ATOM 718 CA VAL A 48 10.860 -12.460 23.669 1.00 40.41 C ATOM 719 C VAL A 48 9.701 -13.357 23.249 1.00 23.10 C ATOM 720 O VAL A 48 8.561 -12.907 23.146 1.00 71.24 O ATOM 721 CB VAL A 48 11.391 -12.932 25.036 1.00 11.01 C ATOM 722 CG1 VAL A 48 12.561 -12.067 25.482 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.279 -12.915 26.073 1.00 30.33 C ATOM 0 H VAL A 48 10.139 -10.740 24.630 1.00 62.33 H new ATOM 0 HA VAL A 48 11.659 -12.535 22.931 1.00 40.41 H new ATOM 0 HB VAL A 48 11.747 -13.957 24.934 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.923 -12.415 26.449 1.00 61.40 H new ATOM 0 HG12 VAL A 48 13.364 -12.135 24.748 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.235 -11.030 25.568 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.671 -13.251 27.033 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.892 -11.901 26.174 1.00 30.33 H new ATOM 0 HG23 VAL A 48 9.476 -13.580 25.756 1.00 30.33 H new ATOM 733 N ASN A 49 10.003 -14.629 23.009 1.00 53.04 N ATOM 734 CA ASN A 49 8.985 -15.591 22.599 1.00 3.42 C ATOM 735 C ASN A 49 8.729 -16.613 23.702 1.00 15.14 C ATOM 736 O ASN A 49 9.262 -17.723 23.672 1.00 41.55 O ATOM 737 CB ASN A 49 9.416 -16.305 21.317 1.00 63.41 C ATOM 738 CG ASN A 49 9.793 -15.335 20.213 1.00 20.23 C ATOM 739 OD1 ASN A 49 8.928 -14.800 19.521 1.00 0.21 O ATOM 740 ND2 ASN A 49 11.090 -15.106 20.044 1.00 2.13 N ATOM 0 H ASN A 49 10.943 -15.017 23.091 1.00 53.04 H new ATOM 0 HA ASN A 49 8.060 -15.046 22.410 1.00 3.42 H new ATOM 0 HB2 ASN A 49 10.265 -16.953 21.533 1.00 63.41 H new ATOM 0 HB3 ASN A 49 8.605 -16.947 20.972 1.00 63.41 H new ATOM 0 HD21 ASN A 49 11.404 -14.464 19.316 1.00 2.13 H new ATOM 0 HD22 ASN A 49 11.772 -15.572 20.642 1.00 2.13 H new ATOM 747 N SER A 50 7.907 -16.232 24.676 1.00 44.25 N ATOM 748 CA SER A 50 7.581 -17.113 25.789 1.00 32.14 C ATOM 749 C SER A 50 6.136 -17.594 25.698 1.00 64.13 C ATOM 750 O SER A 50 5.468 -17.400 24.682 1.00 43.22 O ATOM 751 CB SER A 50 7.806 -16.392 27.121 1.00 24.20 C ATOM 752 OG SER A 50 7.952 -17.319 28.183 1.00 2.44 O ATOM 0 H SER A 50 7.455 -15.318 24.715 1.00 44.25 H new ATOM 0 HA SER A 50 8.239 -17.981 25.736 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.697 -15.767 27.054 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.966 -15.729 27.326 1.00 24.20 H new ATOM 0 HG SER A 50 7.219 -17.202 28.823 1.00 2.44 H new ATOM 758 N THR A 51 5.659 -18.224 26.767 1.00 5.13 N ATOM 759 CA THR A 51 4.295 -18.735 26.808 1.00 65.34 C ATOM 760 C THR A 51 3.323 -17.668 27.297 1.00 50.11 C ATOM 761 O THR A 51 3.728 -16.675 27.904 1.00 60.11 O ATOM 762 CB THR A 51 4.185 -19.971 27.721 1.00 55.53 C ATOM 763 OG1 THR A 51 5.437 -20.665 27.758 1.00 72.33 O ATOM 764 CG2 THR A 51 3.092 -20.910 27.230 1.00 1.44 C ATOM 0 H THR A 51 6.198 -18.393 27.616 1.00 5.13 H new ATOM 0 HA THR A 51 4.034 -19.021 25.789 1.00 65.34 H new ATOM 0 HB THR A 51 3.928 -19.633 28.725 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.360 -21.448 28.342 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.032 -21.776 27.890 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.136 -20.387 27.230 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.324 -21.241 26.218 1.00 1.44 H new ATOM 772 N LEU A 52 2.039 -17.877 27.031 1.00 33.00 N ATOM 773 CA LEU A 52 1.007 -16.932 27.446 1.00 60.43 C ATOM 774 C LEU A 52 -0.109 -17.643 28.204 1.00 61.44 C ATOM 775 O LEU A 52 -0.641 -18.654 27.745 1.00 62.04 O ATOM 776 CB LEU A 52 0.431 -16.208 26.227 1.00 25.32 C ATOM 777 CG LEU A 52 0.953 -14.792 25.979 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.019 -14.502 24.487 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.076 -13.769 26.686 1.00 44.14 C ATOM 0 H LEU A 52 1.687 -18.692 26.530 1.00 33.00 H new ATOM 0 HA LEU A 52 1.465 -16.201 28.112 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.636 -16.810 25.342 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.652 -16.160 26.336 1.00 25.32 H new ATOM 0 HG LEU A 52 1.961 -14.719 26.387 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.393 -13.490 24.329 1.00 0.43 H new ATOM 0 HD12 LEU A 52 1.689 -15.215 24.007 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.023 -14.593 24.054 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.462 -12.767 26.499 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.944 -13.841 26.308 1.00 44.14 H new ATOM 0 HD23 LEU A 52 0.081 -13.965 27.758 1.00 44.14 H new ATOM 791 N LYS A 53 -0.462 -17.106 29.367 1.00 74.15 N ATOM 792 CA LYS A 53 -1.518 -17.686 30.189 1.00 74.21 C ATOM 793 C LYS A 53 -2.815 -16.896 30.044 1.00 31.10 C ATOM 794 O LYS A 53 -2.844 -15.686 30.270 1.00 13.00 O ATOM 795 CB LYS A 53 -1.089 -17.719 31.657 1.00 14.13 C ATOM 796 CG LYS A 53 -2.213 -18.087 32.610 1.00 13.04 C ATOM 797 CD LYS A 53 -1.689 -18.367 34.009 1.00 71.31 C ATOM 798 CE LYS A 53 -1.862 -17.162 34.921 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.552 -16.617 35.375 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.032 -16.270 29.762 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.694 -18.705 29.846 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.276 -18.435 31.773 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.694 -16.741 31.934 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.939 -17.275 32.648 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.737 -18.966 32.234 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.216 -19.223 34.431 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.634 -18.636 33.956 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.416 -16.385 34.395 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.458 -17.446 35.789 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -0.713 -15.797 35.994 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.034 -17.351 35.899 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 0.007 -16.322 34.549 1.00 24.22 H new ATOM 813 N ILE A 54 -3.886 -17.589 29.669 1.00 64.31 N ATOM 814 CA ILE A 54 -5.185 -16.952 29.497 1.00 34.23 C ATOM 815 C ILE A 54 -6.245 -17.623 30.364 1.00 24.45 C ATOM 816 O ILE A 54 -6.520 -18.816 30.218 1.00 52.53 O ATOM 817 CB ILE A 54 -5.641 -16.990 28.027 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.474 -16.648 27.100 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.799 -16.029 27.807 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.839 -16.678 25.632 1.00 73.40 C ATOM 0 H ILE A 54 -3.879 -18.591 29.479 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.070 -15.913 29.806 1.00 34.23 H new ATOM 0 HB ILE A 54 -5.982 -17.998 27.793 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.099 -15.656 27.352 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.661 -17.352 27.278 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.110 -16.067 26.763 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.635 -16.314 28.446 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.483 -15.016 28.055 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.963 -16.426 25.034 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.186 -17.676 25.364 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.631 -15.954 25.439 1.00 73.40 H new ATOM 832 N THR A 55 -6.839 -16.851 31.268 1.00 53.10 N ATOM 833 CA THR A 55 -7.870 -17.370 32.159 1.00 62.11 C ATOM 834 C THR A 55 -9.200 -16.661 31.933 1.00 50.41 C ATOM 835 O THR A 55 -9.235 -15.463 31.650 1.00 11.34 O ATOM 836 CB THR A 55 -7.464 -17.217 33.637 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.388 -15.830 33.983 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.122 -17.885 33.901 1.00 13.32 C ATOM 0 H THR A 55 -6.624 -15.863 31.403 1.00 53.10 H new ATOM 0 HA THR A 55 -7.983 -18.429 31.929 1.00 62.11 H new ATOM 0 HB THR A 55 -8.222 -17.703 34.252 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.131 -15.741 34.925 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.856 -17.764 34.951 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.191 -18.947 33.664 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.357 -17.423 33.277 1.00 13.32 H new ATOM 846 N TYR A 56 -10.291 -17.407 32.059 1.00 11.42 N ATOM 847 CA TYR A 56 -11.625 -16.849 31.867 1.00 11.02 C ATOM 848 C TYR A 56 -12.513 -17.131 33.075 1.00 62.40 C ATOM 849 O TYR A 56 -12.289 -18.092 33.813 1.00 41.44 O ATOM 850 CB TYR A 56 -12.265 -17.426 30.604 1.00 44.12 C ATOM 851 CG TYR A 56 -11.389 -17.315 29.377 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.332 -18.193 29.171 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.619 -16.332 28.421 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.528 -18.094 28.051 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.821 -16.227 27.298 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.777 -17.110 27.118 1.00 31.42 C ATOM 857 OH TYR A 56 -8.980 -17.010 26.001 1.00 41.25 O ATOM 0 H TYR A 56 -10.279 -18.400 32.293 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.527 -15.769 31.756 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.505 -18.475 30.775 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.207 -16.910 30.416 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.135 -18.966 29.899 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.435 -15.639 28.559 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.709 -18.784 27.908 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -11.014 -15.458 26.565 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.640 -17.897 25.761 1.00 41.25 H new ATOM 867 N ILE A 57 -13.522 -16.289 33.270 1.00 62.21 N ATOM 868 CA ILE A 57 -14.445 -16.448 34.386 1.00 35.22 C ATOM 869 C ILE A 57 -15.659 -17.279 33.982 1.00 41.02 C ATOM 870 O ILE A 57 -16.523 -16.814 33.240 1.00 74.23 O ATOM 871 CB ILE A 57 -14.925 -15.085 34.919 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.982 -15.282 36.007 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.478 -14.237 33.782 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.448 -13.988 36.637 1.00 34.03 C ATOM 0 H ILE A 57 -13.721 -15.489 32.669 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.899 -16.966 35.175 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.074 -14.562 35.356 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.841 -15.798 35.579 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.576 -15.930 36.784 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.813 -13.277 34.174 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.698 -14.073 33.038 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.319 -14.753 33.319 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.197 -14.203 37.399 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.599 -13.480 37.095 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.884 -13.347 35.871 1.00 34.03 H new ATOM 886 N GLY A 58 -15.717 -18.512 34.477 1.00 41.22 N ATOM 887 CA GLY A 58 -16.829 -19.387 34.157 1.00 34.45 C ATOM 888 C GLY A 58 -16.383 -20.670 33.484 1.00 45.03 C ATOM 889 O GLY A 58 -16.759 -21.764 33.904 1.00 23.42 O ATOM 0 H GLY A 58 -15.014 -18.920 35.093 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.371 -19.629 35.071 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.525 -18.861 33.504 1.00 34.45 H new ATOM 893 N TYR A 59 -15.579 -20.536 32.434 1.00 61.23 N ATOM 894 CA TYR A 59 -15.084 -21.693 31.697 1.00 30.13 C ATOM 895 C TYR A 59 -13.645 -22.014 32.090 1.00 1.25 C ATOM 896 O TYR A 59 -12.995 -21.242 32.796 1.00 60.34 O ATOM 897 CB TYR A 59 -15.170 -21.440 30.192 1.00 42.25 C ATOM 898 CG TYR A 59 -16.586 -21.411 29.662 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.026 -22.362 28.749 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.482 -20.432 30.072 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.318 -22.338 28.261 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.777 -20.402 29.592 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.191 -21.358 28.686 1.00 4.31 C ATOM 904 OH TYR A 59 -20.479 -21.330 28.204 1.00 24.41 O ATOM 0 H TYR A 59 -15.256 -19.638 32.074 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.710 -22.549 31.950 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.686 -20.490 29.964 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.611 -22.216 29.669 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.347 -23.132 28.416 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.161 -19.681 30.778 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.643 -23.083 27.550 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.462 -19.635 29.923 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.962 -20.577 28.605 1.00 24.41 H new ATOM 914 N LYS A 60 -13.153 -23.158 31.627 1.00 52.23 N ATOM 915 CA LYS A 60 -11.791 -23.582 31.926 1.00 72.32 C ATOM 916 C LYS A 60 -10.775 -22.683 31.231 1.00 51.35 C ATOM 917 O LYS A 60 -10.983 -22.224 30.107 1.00 73.04 O ATOM 918 CB LYS A 60 -11.581 -25.036 31.493 1.00 13.13 C ATOM 919 CG LYS A 60 -11.960 -26.048 32.560 1.00 75.30 C ATOM 920 CD LYS A 60 -11.275 -27.385 32.329 1.00 4.44 C ATOM 921 CE LYS A 60 -11.518 -28.343 33.484 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.863 -29.662 33.258 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.678 -23.809 31.043 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.642 -23.504 33.003 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.170 -25.228 30.596 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.534 -25.179 31.224 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.686 -25.663 33.542 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.041 -26.188 32.563 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.643 -27.828 31.404 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.204 -27.229 32.204 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.140 -27.903 34.407 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -12.590 -28.488 33.616 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -11.052 -30.287 34.068 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.242 -30.094 32.391 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.837 -29.527 33.157 1.00 3.41 H new ATOM 936 N PRO A 61 -9.649 -22.423 31.911 1.00 20.42 N ATOM 937 CA PRO A 61 -8.578 -21.578 31.376 1.00 52.34 C ATOM 938 C PRO A 61 -7.841 -22.239 30.217 1.00 43.11 C ATOM 939 O PRO A 61 -8.090 -23.400 29.892 1.00 71.32 O ATOM 940 CB PRO A 61 -7.639 -21.396 32.571 1.00 12.55 C ATOM 941 CG PRO A 61 -7.882 -22.589 33.429 1.00 64.21 C ATOM 942 CD PRO A 61 -9.335 -22.936 33.255 1.00 62.33 C ATOM 0 HA PRO A 61 -8.962 -20.642 30.971 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.598 -21.343 32.252 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.855 -20.472 33.107 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.244 -23.421 33.131 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.655 -22.372 34.473 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.503 -24.011 33.324 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.955 -22.467 34.019 1.00 62.33 H new ATOM 950 N VAL A 62 -6.933 -21.493 29.596 1.00 41.12 N ATOM 951 CA VAL A 62 -6.159 -22.008 28.473 1.00 22.22 C ATOM 952 C VAL A 62 -4.785 -21.351 28.404 1.00 13.54 C ATOM 953 O VAL A 62 -4.646 -20.150 28.639 1.00 74.11 O ATOM 954 CB VAL A 62 -6.890 -21.783 27.136 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.289 -22.379 27.185 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.945 -20.300 26.802 1.00 33.21 C ATOM 0 H VAL A 62 -6.715 -20.530 29.852 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.039 -23.079 28.638 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.333 -22.289 26.348 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.790 -22.210 26.232 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.222 -23.450 27.375 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.859 -21.904 27.984 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.465 -20.160 25.854 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.478 -19.769 27.591 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -5.931 -19.907 26.721 1.00 33.21 H new ATOM 966 N THR A 63 -3.769 -22.146 28.081 1.00 11.33 N ATOM 967 CA THR A 63 -2.405 -21.642 27.983 1.00 11.40 C ATOM 968 C THR A 63 -1.792 -21.974 26.627 1.00 54.21 C ATOM 969 O THR A 63 -1.839 -23.119 26.177 1.00 35.44 O ATOM 970 CB THR A 63 -1.510 -22.222 29.094 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.570 -23.652 29.074 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.943 -21.710 30.460 1.00 60.11 C ATOM 0 H THR A 63 -3.866 -23.142 27.883 1.00 11.33 H new ATOM 0 HA THR A 63 -2.459 -20.560 28.099 1.00 11.40 H new ATOM 0 HB THR A 63 -0.485 -21.899 28.911 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.580 -23.966 28.146 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.296 -22.133 31.229 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.869 -20.623 30.481 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.974 -22.007 30.650 1.00 60.11 H new ATOM 980 N VAL A 64 -1.217 -20.967 25.979 1.00 54.51 N ATOM 981 CA VAL A 64 -0.593 -21.153 24.675 1.00 53.21 C ATOM 982 C VAL A 64 0.507 -20.124 24.440 1.00 13.32 C ATOM 983 O VAL A 64 0.534 -19.071 25.077 1.00 10.04 O ATOM 984 CB VAL A 64 -1.628 -21.050 23.538 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.476 -22.311 23.473 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.502 -19.819 23.722 1.00 14.45 C ATOM 0 H VAL A 64 -1.170 -20.013 26.336 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.158 -22.153 24.672 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.095 -20.950 22.593 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.201 -22.220 22.664 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -1.834 -23.172 23.290 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.002 -22.445 24.418 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.227 -19.763 22.910 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.028 -19.885 24.674 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.878 -18.925 23.714 1.00 14.45 H new ATOM 996 N LYS A 65 1.413 -20.434 23.520 1.00 23.50 N ATOM 997 CA LYS A 65 2.516 -19.537 23.197 1.00 33.44 C ATOM 998 C LYS A 65 2.023 -18.333 22.402 1.00 51.13 C ATOM 999 O LYS A 65 0.975 -18.389 21.759 1.00 14.12 O ATOM 1000 CB LYS A 65 3.592 -20.283 22.403 1.00 53.40 C ATOM 1001 CG LYS A 65 4.356 -21.305 23.225 1.00 44.43 C ATOM 1002 CD LYS A 65 5.564 -21.836 22.471 1.00 43.14 C ATOM 1003 CE LYS A 65 5.187 -22.994 21.559 1.00 1.42 C ATOM 1004 NZ LYS A 65 6.387 -23.660 20.984 1.00 70.32 N1+ ATOM 0 H LYS A 65 1.405 -21.302 22.984 1.00 23.50 H new ATOM 0 HA LYS A 65 2.947 -19.180 24.132 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.124 -20.786 21.557 1.00 53.40 H new ATOM 0 HB3 LYS A 65 4.296 -19.559 21.993 1.00 53.40 H new ATOM 0 HG2 LYS A 65 4.681 -20.851 24.161 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.695 -22.132 23.484 1.00 44.43 H new ATOM 0 HD2 LYS A 65 6.006 -21.034 21.879 1.00 43.14 H new ATOM 0 HD3 LYS A 65 6.323 -22.163 23.182 1.00 43.14 H new ATOM 0 HE2 LYS A 65 4.601 -23.722 22.120 1.00 1.42 H new ATOM 0 HE3 LYS A 65 4.553 -22.629 20.752 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 6.088 -24.443 20.369 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 6.933 -22.972 20.428 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 6.980 -24.031 21.753 1.00 70.32 H new ATOM 1018 N ALA A 66 2.787 -17.246 22.447 1.00 25.33 N ATOM 1019 CA ALA A 66 2.430 -16.030 21.728 1.00 72.41 C ATOM 1020 C ALA A 66 2.616 -16.207 20.225 1.00 62.14 C ATOM 1021 O ALA A 66 3.601 -16.794 19.776 1.00 13.22 O ATOM 1022 CB ALA A 66 3.257 -14.856 22.230 1.00 71.52 C ATOM 0 H ALA A 66 3.658 -17.183 22.975 1.00 25.33 H new ATOM 0 HA ALA A 66 1.376 -15.823 21.916 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.979 -13.955 21.683 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.070 -14.708 23.294 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.316 -15.063 22.073 1.00 71.52 H new ATOM 1028 N ALA A 67 1.665 -15.696 19.451 1.00 60.43 N ATOM 1029 CA ALA A 67 1.726 -15.796 17.997 1.00 33.34 C ATOM 1030 C ALA A 67 0.834 -14.750 17.337 1.00 63.13 C ATOM 1031 O ALA A 67 0.013 -14.115 17.997 1.00 55.04 O ATOM 1032 CB ALA A 67 1.325 -17.193 17.548 1.00 32.31 C ATOM 0 H ALA A 67 0.842 -15.208 19.806 1.00 60.43 H new ATOM 0 HA ALA A 67 2.754 -15.607 17.687 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.375 -17.254 16.461 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.005 -17.925 17.984 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.307 -17.403 17.877 1.00 32.31 H new ATOM 1038 N ALA A 68 1.003 -14.576 16.031 1.00 60.23 N ATOM 1039 CA ALA A 68 0.213 -13.607 15.281 1.00 73.13 C ATOM 1040 C ALA A 68 -1.280 -13.874 15.443 1.00 2.42 C ATOM 1041 O ALA A 68 -2.031 -13.001 15.879 1.00 53.41 O ATOM 1042 CB ALA A 68 0.599 -13.637 13.809 1.00 13.31 C ATOM 0 H ALA A 68 1.680 -15.093 15.470 1.00 60.23 H new ATOM 0 HA ALA A 68 0.425 -12.615 15.681 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.001 -12.909 13.261 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.656 -13.391 13.705 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.417 -14.633 13.405 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.702 -15.082 15.089 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.106 -15.463 15.196 1.00 43.13 C ATOM 1050 C ILE A 69 -3.281 -16.664 16.118 1.00 23.51 C ATOM 1051 O ILE A 69 -2.533 -17.639 16.035 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.706 -15.796 13.817 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.464 -14.644 12.839 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.194 -16.088 13.943 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.864 -14.965 11.417 1.00 23.11 C ATOM 0 H ILE A 69 -1.093 -15.815 14.725 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.634 -14.607 15.615 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.213 -16.687 13.428 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.020 -13.769 13.176 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.407 -14.377 12.859 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.603 -16.322 12.960 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.343 -16.938 14.609 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.703 -15.214 14.350 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.665 -14.104 10.780 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.289 -15.820 11.062 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.927 -15.203 11.383 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.275 -16.590 16.997 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.551 -17.671 17.934 1.00 74.42 C ATOM 1069 C VAL A 70 -6.045 -17.787 18.217 1.00 52.51 C ATOM 1070 O VAL A 70 -6.671 -16.841 18.693 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.803 -17.468 19.264 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.132 -16.108 19.860 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.139 -18.583 20.242 1.00 74.33 C ATOM 0 H VAL A 70 -4.903 -15.791 17.079 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.200 -18.591 17.466 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.732 -17.502 19.066 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.594 -15.983 20.800 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.834 -15.324 19.164 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.204 -16.041 20.044 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.601 -18.422 21.176 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.211 -18.585 20.437 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.846 -19.542 19.815 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.610 -18.952 17.919 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.032 -19.191 18.141 1.00 11.52 C ATOM 1085 C ASN A 71 -8.243 -20.353 19.107 1.00 55.40 C ATOM 1086 O ASN A 71 -7.990 -21.509 18.769 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.735 -19.482 16.814 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.773 -18.270 15.902 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.296 -18.317 14.768 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.343 -17.177 16.396 1.00 50.40 N ATOM 0 H ASN A 71 -6.106 -19.745 17.523 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.462 -18.292 18.582 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.223 -20.299 16.306 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.753 -19.817 17.011 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.399 -16.330 15.830 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.725 -17.184 17.342 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.710 -20.037 20.311 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.959 -21.054 21.326 1.00 24.20 C ATOM 1099 C VAL A 72 -10.403 -21.004 21.812 1.00 31.43 C ATOM 1100 O VAL A 72 -10.943 -19.930 22.079 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.016 -20.885 22.532 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.194 -22.032 23.515 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.571 -20.788 22.069 1.00 24.11 C ATOM 0 H VAL A 72 -8.924 -19.085 20.607 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.770 -22.021 20.859 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.272 -19.957 23.044 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.519 -21.895 24.360 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.224 -22.049 23.872 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.967 -22.975 23.019 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.919 -20.669 22.934 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.299 -21.697 21.532 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.458 -19.929 21.408 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.023 -22.174 21.925 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.406 -22.265 22.381 1.00 72.02 C ATOM 1115 C LEU A 73 -12.470 -22.475 23.890 1.00 3.23 C ATOM 1116 O LEU A 73 -11.615 -23.145 24.472 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.125 -23.409 21.664 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.539 -24.806 21.875 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -13.134 -25.453 23.116 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -12.782 -25.675 20.650 1.00 64.32 C ATOM 0 H LEU A 73 -10.590 -23.072 21.707 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.904 -21.325 22.143 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -14.165 -23.420 21.991 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.129 -23.196 20.595 1.00 3.23 H new ATOM 0 HG LEU A 73 -11.463 -24.710 22.021 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.705 -26.446 23.250 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -12.909 -24.840 23.989 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -14.215 -25.537 23.000 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -12.359 -26.666 20.817 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.854 -25.763 20.473 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -12.308 -25.219 19.781 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.489 -21.901 24.520 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.666 -22.026 25.962 1.00 22.25 C ATOM 1134 C LEU A 74 -14.466 -23.279 26.305 1.00 10.24 C ATOM 1135 O LEU A 74 -15.602 -23.442 25.861 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.372 -20.789 26.519 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.613 -20.010 27.594 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.249 -19.579 27.078 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.419 -18.802 28.047 1.00 34.41 C ATOM 0 H LEU A 74 -14.206 -21.344 24.054 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.680 -22.110 26.418 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.585 -20.113 25.691 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.332 -21.098 26.932 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.464 -20.665 28.452 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.724 -19.026 27.857 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.669 -20.460 26.804 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.376 -18.942 26.203 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.863 -18.260 28.812 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.600 -18.145 27.196 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.372 -19.134 28.458 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.865 -24.159 27.100 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.522 -25.396 27.504 1.00 73.42 C ATOM 1153 C GLU A 75 -15.151 -25.253 28.887 1.00 44.11 C ATOM 1154 O GLU A 75 -14.544 -24.695 29.800 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.524 -26.555 27.503 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.747 -26.688 26.203 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.860 -27.918 26.177 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.025 -28.788 27.058 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -11.003 -28.012 25.274 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.925 -24.038 27.477 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.313 -25.607 26.785 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.821 -26.419 28.325 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -14.060 -27.485 27.693 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.447 -26.732 25.369 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.133 -25.799 26.058 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.370 -25.761 29.032 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.081 -25.688 30.304 1.00 55.40 C ATOM 1168 C GLU A 76 -16.247 -26.295 31.429 1.00 52.44 C ATOM 1169 O GLU A 76 -15.593 -27.321 31.247 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.426 -26.410 30.204 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.197 -26.087 28.936 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.687 -26.335 29.080 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.450 -25.349 29.138 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -21.088 -27.516 29.134 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.886 -26.227 28.286 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.258 -24.637 30.533 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.256 -27.486 30.252 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.036 -26.145 31.068 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.030 -25.043 28.670 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.809 -26.691 28.116 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.276 -25.651 32.590 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.523 -26.127 33.746 1.00 14.13 C ATOM 1183 C ASP A 77 -16.459 -26.716 34.798 1.00 2.45 C ATOM 1184 O ASP A 77 -17.428 -26.077 35.210 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.706 -24.986 34.354 1.00 0.41 C ATOM 1186 CG ASP A 77 -13.838 -25.447 35.508 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.297 -26.571 35.431 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -13.697 -24.684 36.486 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.812 -24.799 32.757 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.844 -26.910 33.410 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.075 -24.544 33.583 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.381 -24.204 34.701 1.00 0.41 H new