USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 151:sc= -0.0628 (180deg=-0.962) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 66 THR OG1 : rot 130:sc= -0.0826 USER MOD Set 3.2: A 108 HIS : no HE2:sc= -5.02! C(o=-5.1!,f=-9.2!) USER MOD Set 4.1: A 51 ASN : amide:sc= 0.0205 X(o=0.02,f=0) USER MOD Set 4.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.44) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.7!) USER MOD Single : A 23 THR OG1 : rot 70:sc= -0.847 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 0.0645 (180deg=-1.15) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -1:sc= -0.136 USER MOD Single : A 43 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.012) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -114:sc= -0.0388 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.66) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 73 TYR OH : rot -17:sc= 1.02 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.081 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 146:sc= -0.165 (180deg=-0.769) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -2.05 F(o=-5!,f=-2) USER MOD Single : A 100 TYR OH : rot 130:sc= -0.0846 USER MOD Single : A 101 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 107 SER OG : rot -53:sc= 0.223 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.22) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.310 1.301 -15.474 1.00 0.00 N ATOM 168 CA PRO A 14 -2.124 1.223 -14.616 1.00 0.00 C ATOM 169 C PRO A 14 -2.483 1.026 -13.147 1.00 0.00 C ATOM 170 O PRO A 14 -1.982 0.111 -12.492 1.00 0.00 O ATOM 171 CB PRO A 14 -1.446 2.579 -14.824 1.00 0.00 C ATOM 172 CG PRO A 14 -2.548 3.495 -15.231 1.00 0.00 C ATOM 173 CD PRO A 14 -3.517 2.655 -16.015 1.00 0.00 C ATOM 0 HA PRO A 14 -1.492 0.372 -14.870 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.962 2.924 -13.910 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.674 2.522 -15.592 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.031 3.936 -14.359 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.168 4.318 -15.835 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.545 2.991 -15.875 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.311 2.696 -17.085 1.00 0.00 H new ATOM 181 N LEU A 15 -3.354 1.889 -12.635 1.00 0.00 N ATOM 182 CA LEU A 15 -3.781 1.810 -11.242 1.00 0.00 C ATOM 183 C LEU A 15 -5.300 1.717 -11.143 1.00 0.00 C ATOM 184 O LEU A 15 -6.012 2.720 -11.196 1.00 0.00 O ATOM 185 CB LEU A 15 -3.281 3.029 -10.465 1.00 0.00 C ATOM 186 CG LEU A 15 -1.923 2.876 -9.778 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.004 1.848 -8.660 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.855 2.486 -10.788 1.00 0.00 C ATOM 0 H LEU A 15 -3.778 2.651 -13.163 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.351 0.908 -10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.226 3.874 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.023 3.281 -9.707 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.647 3.836 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.029 1.752 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.739 2.170 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.302 0.884 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.104 2.382 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.124 1.538 -11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.779 3.258 -11.553 1.00 0.00 H new ATOM 200 N PRO A 16 -5.809 0.485 -10.994 1.00 0.00 N ATOM 201 CA PRO A 16 -7.249 0.232 -10.881 1.00 0.00 C ATOM 202 C PRO A 16 -7.824 0.737 -9.562 1.00 0.00 C ATOM 203 O PRO A 16 -7.093 0.951 -8.596 1.00 0.00 O ATOM 204 CB PRO A 16 -7.348 -1.293 -10.959 1.00 0.00 C ATOM 205 CG PRO A 16 -6.024 -1.784 -10.483 1.00 0.00 C ATOM 206 CD PRO A 16 -5.019 -0.755 -10.923 1.00 0.00 C ATOM 0 HA PRO A 16 -7.816 0.750 -11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.158 -1.670 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.550 -1.625 -11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.017 -1.898 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.794 -2.761 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.197 -0.667 -10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.581 -1.008 -11.888 1.00 0.00 H new ATOM 214 N ASN A 17 -9.140 0.924 -9.528 1.00 0.00 N ATOM 215 CA ASN A 17 -9.813 1.403 -8.327 1.00 0.00 C ATOM 216 C ASN A 17 -10.113 0.250 -7.374 1.00 0.00 C ATOM 217 O ASN A 17 -11.114 0.267 -6.658 1.00 0.00 O ATOM 218 CB ASN A 17 -11.111 2.124 -8.698 1.00 0.00 C ATOM 219 CG ASN A 17 -10.964 2.976 -9.943 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.916 3.580 -10.175 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.016 3.029 -10.752 1.00 0.00 N ATOM 0 H ASN A 17 -9.761 0.751 -10.319 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.147 2.103 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.900 1.388 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.424 2.754 -7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.976 3.586 -11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.864 2.512 -10.520 1.00 0.00 H new ATOM 228 N SER A 18 -9.238 -0.751 -7.372 1.00 0.00 N ATOM 229 CA SER A 18 -9.410 -1.914 -6.510 1.00 0.00 C ATOM 230 C SER A 18 -8.336 -1.952 -5.427 1.00 0.00 C ATOM 231 O SER A 18 -8.615 -2.265 -4.270 1.00 0.00 O ATOM 232 CB SER A 18 -9.362 -3.200 -7.337 1.00 0.00 C ATOM 233 OG SER A 18 -10.592 -3.425 -8.003 1.00 0.00 O ATOM 0 H SER A 18 -8.403 -0.780 -7.958 1.00 0.00 H new ATOM 0 HA SER A 18 -10.385 -1.837 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.556 -3.136 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.137 -4.046 -6.687 1.00 0.00 H new ATOM 0 HG SER A 18 -10.534 -4.252 -8.526 1.00 0.00 H new ATOM 239 N VAL A 19 -7.105 -1.630 -5.812 1.00 0.00 N ATOM 240 CA VAL A 19 -5.988 -1.626 -4.876 1.00 0.00 C ATOM 241 C VAL A 19 -6.214 -0.618 -3.755 1.00 0.00 C ATOM 242 O VAL A 19 -5.982 -0.914 -2.582 1.00 0.00 O ATOM 243 CB VAL A 19 -4.661 -1.297 -5.586 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.365 -2.326 -6.667 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.704 0.106 -6.172 1.00 0.00 C ATOM 0 H VAL A 19 -6.857 -1.369 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.927 -2.629 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.857 -1.335 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.424 -2.078 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.289 -3.316 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.170 -2.323 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.759 0.322 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.518 0.174 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.866 0.829 -5.373 1.00 0.00 H new ATOM 255 N PHE A 20 -6.671 0.575 -4.122 1.00 0.00 N ATOM 256 CA PHE A 20 -6.929 1.628 -3.147 1.00 0.00 C ATOM 257 C PHE A 20 -8.065 1.234 -2.209 1.00 0.00 C ATOM 258 O PHE A 20 -9.240 1.316 -2.569 1.00 0.00 O ATOM 259 CB PHE A 20 -7.272 2.939 -3.860 1.00 0.00 C ATOM 260 CG PHE A 20 -6.253 3.348 -4.884 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.318 2.859 -6.179 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.231 4.223 -4.553 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.382 3.234 -7.125 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.293 4.602 -5.494 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.368 4.106 -6.781 1.00 0.00 C ATOM 0 H PHE A 20 -6.870 0.836 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.025 1.770 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.242 2.836 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.369 3.732 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.109 2.177 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.167 4.613 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.444 2.846 -8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.502 5.286 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.635 4.400 -7.517 1.00 0.00 H new ATOM 275 N VAL A 21 -7.707 0.805 -1.003 1.00 0.00 N ATOM 276 CA VAL A 21 -8.695 0.398 -0.011 1.00 0.00 C ATOM 277 C VAL A 21 -8.955 1.513 0.996 1.00 0.00 C ATOM 278 O VAL A 21 -8.082 2.338 1.262 1.00 0.00 O ATOM 279 CB VAL A 21 -8.245 -0.866 0.744 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.966 -0.597 1.522 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.348 -1.355 1.670 1.00 0.00 C ATOM 0 H VAL A 21 -6.739 0.730 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.615 0.180 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.040 -1.649 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.664 -1.502 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.177 -0.298 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.140 0.202 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.012 -2.249 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.587 -0.576 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.237 -1.590 1.085 1.00 0.00 H new ATOM 291 N ASN A 22 -10.161 1.531 1.554 1.00 0.00 N ATOM 292 CA ASN A 22 -10.536 2.545 2.532 1.00 0.00 C ATOM 293 C ASN A 22 -10.330 2.031 3.954 1.00 0.00 C ATOM 294 O ASN A 22 -11.012 2.459 4.886 1.00 0.00 O ATOM 295 CB ASN A 22 -11.996 2.959 2.334 1.00 0.00 C ATOM 296 CG ASN A 22 -12.331 4.253 3.051 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.450 5.062 3.341 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.612 4.454 3.339 1.00 0.00 N ATOM 0 H ASN A 22 -10.895 0.855 1.345 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.895 3.414 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.197 3.074 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.649 2.165 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.899 5.307 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.309 3.756 3.079 1.00 0.00 H new ATOM 305 N THR A 23 -9.385 1.110 4.114 1.00 0.00 N ATOM 306 CA THR A 23 -9.088 0.537 5.421 1.00 0.00 C ATOM 307 C THR A 23 -7.770 1.072 5.969 1.00 0.00 C ATOM 308 O THR A 23 -6.713 0.886 5.366 1.00 0.00 O ATOM 309 CB THR A 23 -9.020 -1.000 5.358 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.013 -1.545 6.682 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.776 -1.456 4.610 1.00 0.00 C ATOM 0 H THR A 23 -8.812 0.745 3.354 1.00 0.00 H new ATOM 0 HA THR A 23 -9.900 0.830 6.087 1.00 0.00 H new ATOM 0 HB THR A 23 -9.899 -1.359 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.892 -1.414 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.749 -2.545 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.799 -1.064 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.888 -1.086 5.122 1.00 0.00 H new ATOM 319 N THR A 24 -7.839 1.736 7.119 1.00 0.00 N ATOM 320 CA THR A 24 -6.651 2.298 7.749 1.00 0.00 C ATOM 321 C THR A 24 -6.128 1.383 8.850 1.00 0.00 C ATOM 322 O THR A 24 -5.563 1.849 9.839 1.00 0.00 O ATOM 323 CB THR A 24 -6.936 3.690 8.345 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.921 3.587 9.378 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.419 4.650 7.269 1.00 0.00 C ATOM 0 H THR A 24 -8.705 1.897 7.633 1.00 0.00 H new ATOM 0 HA THR A 24 -5.895 2.393 6.970 1.00 0.00 H new ATOM 0 HB THR A 24 -6.009 4.079 8.766 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.096 4.475 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.614 5.626 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.654 4.748 6.499 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.336 4.265 6.823 1.00 0.00 H new ATOM 333 N GLU A 25 -6.320 0.080 8.672 1.00 0.00 N ATOM 334 CA GLU A 25 -5.867 -0.899 9.652 1.00 0.00 C ATOM 335 C GLU A 25 -5.018 -1.981 8.989 1.00 0.00 C ATOM 336 O GLU A 25 -5.546 -2.932 8.413 1.00 0.00 O ATOM 337 CB GLU A 25 -7.064 -1.537 10.360 1.00 0.00 C ATOM 338 CG GLU A 25 -8.001 -0.528 11.001 1.00 0.00 C ATOM 339 CD GLU A 25 -7.619 -0.205 12.433 1.00 0.00 C ATOM 340 OE1 GLU A 25 -7.561 -1.141 13.257 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.377 0.984 12.728 1.00 0.00 O ATOM 0 H GLU A 25 -6.786 -0.322 7.858 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.253 -0.380 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.624 -2.135 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.700 -2.220 11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.999 0.389 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.019 -0.918 10.979 1.00 0.00 H new ATOM 348 N SER A 26 -3.701 -1.826 9.075 1.00 0.00 N ATOM 349 CA SER A 26 -2.779 -2.786 8.479 1.00 0.00 C ATOM 350 C SER A 26 -3.271 -4.215 8.690 1.00 0.00 C ATOM 351 O SER A 26 -3.322 -5.011 7.752 1.00 0.00 O ATOM 352 CB SER A 26 -1.381 -2.623 9.080 1.00 0.00 C ATOM 353 OG SER A 26 -0.929 -1.285 8.962 1.00 0.00 O ATOM 0 H SER A 26 -3.249 -1.046 9.551 1.00 0.00 H new ATOM 0 HA SER A 26 -2.732 -2.590 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.397 -2.914 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.684 -3.292 8.575 1.00 0.00 H new ATOM 0 HG SER A 26 -0.035 -1.206 9.355 1.00 0.00 H new ATOM 359 N CYS A 27 -3.632 -4.533 9.929 1.00 0.00 N ATOM 360 CA CYS A 27 -4.120 -5.866 10.265 1.00 0.00 C ATOM 361 C CYS A 27 -5.259 -6.277 9.338 1.00 0.00 C ATOM 362 O CYS A 27 -5.327 -7.423 8.894 1.00 0.00 O ATOM 363 CB CYS A 27 -4.588 -5.908 11.720 1.00 0.00 C ATOM 364 SG CYS A 27 -3.290 -6.339 12.901 1.00 0.00 S ATOM 0 H CYS A 27 -3.596 -3.886 10.717 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.299 -6.571 10.135 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.998 -4.934 11.987 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.399 -6.630 11.809 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.783 -6.346 14.104 1.00 0.00 H new ATOM 370 N GLU A 28 -6.153 -5.335 9.054 1.00 0.00 N ATOM 371 CA GLU A 28 -7.291 -5.602 8.182 1.00 0.00 C ATOM 372 C GLU A 28 -6.825 -6.001 6.785 1.00 0.00 C ATOM 373 O GLU A 28 -7.290 -6.992 6.222 1.00 0.00 O ATOM 374 CB GLU A 28 -8.197 -4.371 8.098 1.00 0.00 C ATOM 375 CG GLU A 28 -9.317 -4.508 7.080 1.00 0.00 C ATOM 376 CD GLU A 28 -10.231 -5.682 7.373 1.00 0.00 C ATOM 377 OE1 GLU A 28 -9.739 -6.830 7.383 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.439 -5.452 7.593 1.00 0.00 O ATOM 0 H GLU A 28 -6.111 -4.382 9.414 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.856 -6.432 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.631 -4.182 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.591 -3.501 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.904 -3.590 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.887 -4.627 6.086 1.00 0.00 H new ATOM 385 N VAL A 29 -5.903 -5.221 6.230 1.00 0.00 N ATOM 386 CA VAL A 29 -5.373 -5.492 4.899 1.00 0.00 C ATOM 387 C VAL A 29 -5.029 -6.968 4.734 1.00 0.00 C ATOM 388 O VAL A 29 -5.505 -7.626 3.811 1.00 0.00 O ATOM 389 CB VAL A 29 -4.116 -4.648 4.613 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.535 -4.999 3.252 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.441 -3.164 4.697 1.00 0.00 C ATOM 0 H VAL A 29 -5.508 -4.396 6.682 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.153 -5.222 4.187 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.366 -4.876 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.648 -4.393 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.263 -6.054 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.277 -4.802 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.542 -2.583 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.208 -2.917 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.806 -2.928 5.696 1.00 0.00 H new ATOM 401 N GLU A 30 -4.199 -7.481 5.637 1.00 0.00 N ATOM 402 CA GLU A 30 -3.791 -8.880 5.591 1.00 0.00 C ATOM 403 C GLU A 30 -5.006 -9.798 5.497 1.00 0.00 C ATOM 404 O GLU A 30 -5.007 -10.769 4.740 1.00 0.00 O ATOM 405 CB GLU A 30 -2.965 -9.234 6.829 1.00 0.00 C ATOM 406 CG GLU A 30 -2.171 -10.522 6.683 1.00 0.00 C ATOM 407 CD GLU A 30 -1.416 -10.888 7.946 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.883 -10.521 9.045 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.358 -11.542 7.835 1.00 0.00 O ATOM 0 H GLU A 30 -3.796 -6.949 6.409 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.179 -9.024 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.278 -8.416 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.631 -9.323 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.849 -11.334 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.465 -10.418 5.859 1.00 0.00 H new ATOM 416 N ARG A 31 -6.039 -9.484 6.273 1.00 0.00 N ATOM 417 CA ARG A 31 -7.260 -10.281 6.279 1.00 0.00 C ATOM 418 C ARG A 31 -7.943 -10.239 4.915 1.00 0.00 C ATOM 419 O ARG A 31 -8.355 -11.271 4.384 1.00 0.00 O ATOM 420 CB ARG A 31 -8.219 -9.774 7.357 1.00 0.00 C ATOM 421 CG ARG A 31 -9.516 -10.563 7.438 1.00 0.00 C ATOM 422 CD ARG A 31 -10.193 -10.386 8.788 1.00 0.00 C ATOM 423 NE ARG A 31 -11.441 -11.138 8.878 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.216 -11.150 9.957 1.00 0.00 C ATOM 425 NH1 ARG A 31 -11.873 -10.453 11.031 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.337 -11.860 9.962 1.00 0.00 N ATOM 0 H ARG A 31 -6.054 -8.684 6.905 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.989 -11.314 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.718 -9.814 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.452 -8.727 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.191 -10.238 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.311 -11.620 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.516 -10.711 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.394 -9.328 8.956 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.734 -11.684 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.012 -9.906 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.470 -10.464 11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.604 -12.397 9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.931 -11.869 10.791 1.00 0.00 H new ATOM 440 N LEU A 32 -8.060 -9.041 4.354 1.00 0.00 N ATOM 441 CA LEU A 32 -8.694 -8.864 3.052 1.00 0.00 C ATOM 442 C LEU A 32 -7.997 -9.705 1.988 1.00 0.00 C ATOM 443 O LEU A 32 -8.648 -10.368 1.181 1.00 0.00 O ATOM 444 CB LEU A 32 -8.671 -7.389 2.648 1.00 0.00 C ATOM 445 CG LEU A 32 -9.244 -6.404 3.668 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.022 -4.971 3.210 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.726 -6.671 3.893 1.00 0.00 C ATOM 0 H LEU A 32 -7.724 -8.177 4.780 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.729 -9.197 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.639 -7.106 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.226 -7.280 1.716 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.722 -6.546 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.436 -4.285 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.953 -4.785 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.517 -4.815 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.117 -5.961 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.263 -6.558 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.860 -7.686 4.267 1.00 0.00 H new ATOM 459 N PHE A 33 -6.668 -9.676 1.995 1.00 0.00 N ATOM 460 CA PHE A 33 -5.882 -10.437 1.031 1.00 0.00 C ATOM 461 C PHE A 33 -6.222 -11.922 1.103 1.00 0.00 C ATOM 462 O PHE A 33 -6.656 -12.520 0.118 1.00 0.00 O ATOM 463 CB PHE A 33 -4.387 -10.232 1.286 1.00 0.00 C ATOM 464 CG PHE A 33 -3.869 -8.913 0.788 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.715 -7.821 0.671 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.537 -8.764 0.437 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.241 -6.607 0.211 1.00 0.00 C ATOM 468 CE2 PHE A 33 -2.057 -7.552 -0.023 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.910 -6.472 -0.134 1.00 0.00 C ATOM 0 H PHE A 33 -6.113 -9.134 2.657 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.127 -10.074 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.195 -10.308 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.831 -11.037 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.756 -7.920 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.865 -9.605 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.911 -5.764 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.017 -7.450 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.537 -5.523 -0.490 1.00 0.00 H new ATOM 479 N LYS A 34 -6.023 -12.513 2.277 1.00 0.00 N ATOM 480 CA LYS A 34 -6.309 -13.928 2.480 1.00 0.00 C ATOM 481 C LYS A 34 -7.808 -14.198 2.396 1.00 0.00 C ATOM 482 O LYS A 34 -8.239 -15.349 2.351 1.00 0.00 O ATOM 483 CB LYS A 34 -5.773 -14.388 3.838 1.00 0.00 C ATOM 484 CG LYS A 34 -4.259 -14.323 3.948 1.00 0.00 C ATOM 485 CD LYS A 34 -3.813 -14.093 5.382 1.00 0.00 C ATOM 486 CE LYS A 34 -2.298 -14.021 5.490 1.00 0.00 C ATOM 487 NZ LYS A 34 -1.675 -15.373 5.455 1.00 0.00 N ATOM 0 H LYS A 34 -5.664 -12.033 3.103 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.811 -14.490 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.213 -13.770 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.099 -15.412 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.826 -15.252 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.882 -13.520 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.250 -13.167 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.186 -14.899 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.904 -13.418 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.023 -13.518 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.130 -15.527 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.419 -16.096 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.041 -15.442 4.634 1.00 0.00 H new ATOM 501 N ALA A 35 -8.597 -13.128 2.375 1.00 0.00 N ATOM 502 CA ALA A 35 -10.047 -13.250 2.292 1.00 0.00 C ATOM 503 C ALA A 35 -10.504 -13.399 0.845 1.00 0.00 C ATOM 504 O ALA A 35 -11.174 -14.370 0.491 1.00 0.00 O ATOM 505 CB ALA A 35 -10.715 -12.045 2.938 1.00 0.00 C ATOM 0 H ALA A 35 -8.256 -12.167 2.414 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.343 -14.149 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.798 -12.149 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.422 -11.985 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.404 -11.137 2.422 1.00 0.00 H new ATOM 511 N THR A 36 -10.138 -12.430 0.011 1.00 0.00 N ATOM 512 CA THR A 36 -10.512 -12.453 -1.397 1.00 0.00 C ATOM 513 C THR A 36 -10.210 -13.808 -2.025 1.00 0.00 C ATOM 514 O THR A 36 -10.839 -14.202 -3.007 1.00 0.00 O ATOM 515 CB THR A 36 -9.777 -11.357 -2.191 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.122 -11.441 -3.578 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.270 -11.491 -2.030 1.00 0.00 C ATOM 0 H THR A 36 -9.583 -11.620 0.287 1.00 0.00 H new ATOM 0 HA THR A 36 -11.585 -12.267 -1.441 1.00 0.00 H new ATOM 0 HB THR A 36 -10.084 -10.388 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.652 -10.740 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.772 -10.706 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.007 -11.397 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.950 -12.466 -2.399 1.00 0.00 H new ATOM 525 N SER A 37 -9.244 -14.519 -1.452 1.00 0.00 N ATOM 526 CA SER A 37 -8.857 -15.831 -1.957 1.00 0.00 C ATOM 527 C SER A 37 -9.904 -16.881 -1.601 1.00 0.00 C ATOM 528 O SER A 37 -10.430 -16.919 -0.488 1.00 0.00 O ATOM 529 CB SER A 37 -7.496 -16.238 -1.390 1.00 0.00 C ATOM 530 OG SER A 37 -7.494 -16.176 0.026 1.00 0.00 O ATOM 0 H SER A 37 -8.715 -14.208 -0.637 1.00 0.00 H new ATOM 0 HA SER A 37 -8.786 -15.768 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.252 -17.250 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.722 -15.581 -1.787 1.00 0.00 H new ATOM 0 HG SER A 37 -8.366 -15.859 0.341 1.00 0.00 H new ATOM 536 N PRO A 38 -10.216 -17.757 -2.568 1.00 0.00 N ATOM 537 CA PRO A 38 -11.202 -18.825 -2.382 1.00 0.00 C ATOM 538 C PRO A 38 -10.711 -19.907 -1.426 1.00 0.00 C ATOM 539 O PRO A 38 -11.488 -20.461 -0.648 1.00 0.00 O ATOM 540 CB PRO A 38 -11.378 -19.396 -3.791 1.00 0.00 C ATOM 541 CG PRO A 38 -10.100 -19.080 -4.489 1.00 0.00 C ATOM 542 CD PRO A 38 -9.629 -17.771 -3.919 1.00 0.00 C ATOM 0 HA PRO A 38 -12.126 -18.453 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.559 -20.471 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.229 -18.942 -4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.362 -19.865 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.252 -19.005 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.541 -17.716 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.973 -16.926 -4.515 1.00 0.00 H new ATOM 550 N ARG A 39 -9.417 -20.202 -1.489 1.00 0.00 N ATOM 551 CA ARG A 39 -8.822 -21.218 -0.629 1.00 0.00 C ATOM 552 C ARG A 39 -8.379 -20.614 0.701 1.00 0.00 C ATOM 553 O ARG A 39 -8.334 -21.300 1.721 1.00 0.00 O ATOM 554 CB ARG A 39 -7.629 -21.873 -1.327 1.00 0.00 C ATOM 555 CG ARG A 39 -8.018 -22.745 -2.509 1.00 0.00 C ATOM 556 CD ARG A 39 -6.895 -23.695 -2.895 1.00 0.00 C ATOM 557 NE ARG A 39 -7.236 -24.501 -4.064 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.283 -24.018 -5.301 1.00 0.00 C ATOM 559 NH1 ARG A 39 -7.011 -22.741 -5.528 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.602 -24.815 -6.313 1.00 0.00 N ATOM 0 H ARG A 39 -8.760 -19.752 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.578 -21.977 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.947 -21.095 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.083 -22.479 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.911 -23.318 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.270 -22.113 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.991 -23.122 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.671 -24.352 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.450 -25.488 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.765 -22.126 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.048 -22.373 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.811 -25.798 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.638 -24.444 -7.262 1.00 0.00 H new ATOM 574 N GLY A 40 -8.053 -19.326 0.680 1.00 0.00 N ATOM 575 CA GLY A 40 -7.617 -18.651 1.889 1.00 0.00 C ATOM 576 C GLY A 40 -6.120 -18.409 1.910 1.00 0.00 C ATOM 577 O GLY A 40 -5.500 -18.416 2.972 1.00 0.00 O ATOM 0 H GLY A 40 -8.083 -18.737 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.137 -17.697 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.898 -19.248 2.756 1.00 0.00 H new ATOM 581 N GLU A 41 -5.540 -18.195 0.733 1.00 0.00 N ATOM 582 CA GLU A 41 -4.107 -17.952 0.622 1.00 0.00 C ATOM 583 C GLU A 41 -3.800 -17.041 -0.563 1.00 0.00 C ATOM 584 O GLU A 41 -4.011 -17.397 -1.723 1.00 0.00 O ATOM 585 CB GLU A 41 -3.353 -19.275 0.471 1.00 0.00 C ATOM 586 CG GLU A 41 -3.760 -20.071 -0.758 1.00 0.00 C ATOM 587 CD GLU A 41 -3.130 -21.450 -0.796 1.00 0.00 C ATOM 588 OE1 GLU A 41 -3.578 -22.328 -0.030 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.188 -21.650 -1.591 1.00 0.00 O ATOM 0 H GLU A 41 -6.040 -18.185 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.777 -17.456 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.283 -19.070 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.522 -19.883 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.845 -20.171 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.474 -19.520 -1.654 1.00 0.00 H new ATOM 596 N PRO A 42 -3.290 -15.837 -0.267 1.00 0.00 N ATOM 597 CA PRO A 42 -2.942 -14.850 -1.293 1.00 0.00 C ATOM 598 C PRO A 42 -1.729 -15.270 -2.115 1.00 0.00 C ATOM 599 O PRO A 42 -0.903 -16.060 -1.658 1.00 0.00 O ATOM 600 CB PRO A 42 -2.629 -13.590 -0.482 1.00 0.00 C ATOM 601 CG PRO A 42 -2.212 -14.095 0.857 1.00 0.00 C ATOM 602 CD PRO A 42 -3.012 -15.347 1.094 1.00 0.00 C ATOM 0 HA PRO A 42 -3.744 -14.718 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.836 -13.005 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.501 -12.941 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.143 -14.305 0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.408 -13.354 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.452 -16.078 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.931 -15.139 1.642 1.00 0.00 H new ATOM 610 N GLN A 43 -1.628 -14.737 -3.328 1.00 0.00 N ATOM 611 CA GLN A 43 -0.514 -15.058 -4.213 1.00 0.00 C ATOM 612 C GLN A 43 0.613 -14.041 -4.060 1.00 0.00 C ATOM 613 O GLN A 43 0.366 -12.852 -3.856 1.00 0.00 O ATOM 614 CB GLN A 43 -0.986 -15.099 -5.667 1.00 0.00 C ATOM 615 CG GLN A 43 -1.945 -16.241 -5.963 1.00 0.00 C ATOM 616 CD GLN A 43 -3.397 -15.847 -5.778 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.096 -16.392 -4.924 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.859 -14.894 -6.579 1.00 0.00 N ATOM 0 H GLN A 43 -2.303 -14.081 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.133 -16.040 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.473 -14.154 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.118 -15.186 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.793 -16.582 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.715 -17.082 -5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.244 -14.469 -7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.828 -14.587 -6.500 1.00 0.00 H new ATOM 627 N ASP A 44 1.849 -14.517 -4.160 1.00 0.00 N ATOM 628 CA ASP A 44 3.015 -13.649 -4.034 1.00 0.00 C ATOM 629 C ASP A 44 2.899 -12.445 -4.963 1.00 0.00 C ATOM 630 O ASP A 44 2.572 -12.586 -6.141 1.00 0.00 O ATOM 631 CB ASP A 44 4.293 -14.429 -4.346 1.00 0.00 C ATOM 632 CG ASP A 44 5.538 -13.721 -3.850 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.614 -12.483 -3.995 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.438 -14.404 -3.318 1.00 0.00 O ATOM 0 H ASP A 44 2.070 -15.499 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 44 3.060 -13.289 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.233 -15.417 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.369 -14.581 -5.423 1.00 0.00 H new ATOM 639 N GLY A 45 3.167 -11.260 -4.424 1.00 0.00 N ATOM 640 CA GLY A 45 3.087 -10.048 -5.219 1.00 0.00 C ATOM 641 C GLY A 45 1.860 -9.220 -4.890 1.00 0.00 C ATOM 642 O GLY A 45 1.818 -8.021 -5.170 1.00 0.00 O ATOM 0 H GLY A 45 3.438 -11.117 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.982 -9.448 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.071 -10.311 -6.277 1.00 0.00 H new ATOM 646 N LEU A 46 0.859 -9.859 -4.295 1.00 0.00 N ATOM 647 CA LEU A 46 -0.376 -9.174 -3.928 1.00 0.00 C ATOM 648 C LEU A 46 -0.078 -7.851 -3.230 1.00 0.00 C ATOM 649 O LEU A 46 0.258 -7.825 -2.045 1.00 0.00 O ATOM 650 CB LEU A 46 -1.225 -10.064 -3.020 1.00 0.00 C ATOM 651 CG LEU A 46 -2.737 -9.845 -3.089 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.223 -9.925 -4.528 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.464 -10.863 -2.222 1.00 0.00 C ATOM 0 H LEU A 46 0.878 -10.850 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.932 -8.964 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.017 -11.105 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.902 -9.911 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.958 -8.848 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.301 -9.767 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.727 -9.158 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.989 -10.908 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.539 -10.692 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.236 -11.869 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.138 -10.758 -1.187 1.00 0.00 H new ATOM 665 N TYR A 47 -0.205 -6.756 -3.970 1.00 0.00 N ATOM 666 CA TYR A 47 0.050 -5.429 -3.421 1.00 0.00 C ATOM 667 C TYR A 47 -1.207 -4.566 -3.475 1.00 0.00 C ATOM 668 O TYR A 47 -2.130 -4.841 -4.243 1.00 0.00 O ATOM 669 CB TYR A 47 1.184 -4.747 -4.189 1.00 0.00 C ATOM 670 CG TYR A 47 0.825 -4.395 -5.614 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.030 -5.301 -6.647 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.279 -3.156 -5.929 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.703 -4.984 -7.952 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.051 -2.831 -7.230 1.00 0.00 C ATOM 675 CZ TYR A 47 0.163 -3.747 -8.238 1.00 0.00 C ATOM 676 OH TYR A 47 -0.164 -3.428 -9.535 1.00 0.00 O ATOM 0 H TYR A 47 -0.483 -6.760 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 47 0.344 -5.545 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.474 -3.838 -3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.054 -5.404 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.452 -6.270 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.110 -2.435 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.869 -5.700 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.475 -1.864 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.534 -2.521 -9.566 1.00 0.00 H new ATOM 686 N CYS A 48 -1.234 -3.521 -2.656 1.00 0.00 N ATOM 687 CA CYS A 48 -2.377 -2.615 -2.609 1.00 0.00 C ATOM 688 C CYS A 48 -1.970 -1.255 -2.052 1.00 0.00 C ATOM 689 O CYS A 48 -0.792 -1.005 -1.797 1.00 0.00 O ATOM 690 CB CYS A 48 -3.495 -3.216 -1.756 1.00 0.00 C ATOM 691 SG CYS A 48 -3.330 -2.888 0.015 1.00 0.00 S ATOM 0 H CYS A 48 -0.478 -3.280 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.742 -2.476 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.451 -2.822 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.519 -4.294 -1.914 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.122 -4.006 0.646 1.00 0.00 H new ATOM 697 N ILE A 49 -2.953 -0.380 -1.867 1.00 0.00 N ATOM 698 CA ILE A 49 -2.697 0.955 -1.341 1.00 0.00 C ATOM 699 C ILE A 49 -3.763 1.361 -0.329 1.00 0.00 C ATOM 700 O ILE A 49 -4.904 1.644 -0.693 1.00 0.00 O ATOM 701 CB ILE A 49 -2.650 2.005 -2.468 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.545 1.660 -3.469 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.432 3.394 -1.888 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.682 2.381 -4.792 1.00 0.00 C ATOM 0 H ILE A 49 -3.933 -0.572 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.726 0.919 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.605 1.998 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.578 1.905 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.551 0.585 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.401 4.125 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.250 3.637 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.489 3.416 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.865 2.089 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.634 2.117 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.646 3.458 -4.625 1.00 0.00 H new ATOM 716 N ARG A 50 -3.382 1.388 0.944 1.00 0.00 N ATOM 717 CA ARG A 50 -4.304 1.760 2.010 1.00 0.00 C ATOM 718 C ARG A 50 -4.080 3.205 2.444 1.00 0.00 C ATOM 719 O ARG A 50 -3.159 3.870 1.971 1.00 0.00 O ATOM 720 CB ARG A 50 -4.136 0.824 3.209 1.00 0.00 C ATOM 721 CG ARG A 50 -2.899 1.118 4.042 1.00 0.00 C ATOM 722 CD ARG A 50 -2.770 0.150 5.207 1.00 0.00 C ATOM 723 NE ARG A 50 -2.105 0.761 6.355 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.809 1.051 6.385 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.043 0.787 5.336 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.277 1.607 7.466 1.00 0.00 N ATOM 0 H ARG A 50 -2.441 1.157 1.262 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.320 1.668 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.018 0.900 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.087 -0.205 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.011 1.053 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.947 2.139 4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.761 -0.195 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.209 -0.728 4.888 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.666 0.977 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.448 0.360 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.952 1.011 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.863 1.812 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.718 1.829 7.488 1.00 0.00 H new ATOM 740 N ASN A 51 -4.929 3.685 3.347 1.00 0.00 N ATOM 741 CA ASN A 51 -4.823 5.052 3.845 1.00 0.00 C ATOM 742 C ASN A 51 -4.013 5.100 5.136 1.00 0.00 C ATOM 743 O ASN A 51 -4.168 4.248 6.011 1.00 0.00 O ATOM 744 CB ASN A 51 -6.216 5.640 4.081 1.00 0.00 C ATOM 745 CG ASN A 51 -6.853 6.149 2.802 1.00 0.00 C ATOM 746 OD1 ASN A 51 -7.007 7.355 2.610 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.228 5.229 1.921 1.00 0.00 N ATOM 0 H ASN A 51 -5.698 3.148 3.749 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.307 5.647 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.858 4.879 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.146 6.457 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.663 5.511 1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.081 4.240 2.122 1.00 0.00 H new ATOM 830 N LYS A 58 -0.129 8.085 1.637 1.00 0.00 N ATOM 831 CA LYS A 58 -0.523 6.687 1.511 1.00 0.00 C ATOM 832 C LYS A 58 0.646 5.761 1.835 1.00 0.00 C ATOM 833 O LYS A 58 1.769 6.216 2.052 1.00 0.00 O ATOM 834 CB LYS A 58 -1.033 6.405 0.096 1.00 0.00 C ATOM 835 CG LYS A 58 -2.311 7.150 -0.249 1.00 0.00 C ATOM 836 CD LYS A 58 -3.544 6.337 0.106 1.00 0.00 C ATOM 837 CE LYS A 58 -4.707 6.655 -0.821 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.376 7.933 -0.454 1.00 0.00 N ATOM 0 HA LYS A 58 -1.324 6.496 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.259 6.677 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.206 5.334 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.335 8.100 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.322 7.382 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.310 5.274 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.832 6.543 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.347 6.716 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.432 5.842 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.163 8.114 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.743 7.867 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.691 8.713 -0.513 1.00 0.00 H new ATOM 852 N VAL A 59 0.374 4.460 1.865 1.00 0.00 N ATOM 853 CA VAL A 59 1.403 3.471 2.159 1.00 0.00 C ATOM 854 C VAL A 59 1.189 2.197 1.349 1.00 0.00 C ATOM 855 O VAL A 59 0.222 1.465 1.566 1.00 0.00 O ATOM 856 CB VAL A 59 1.427 3.115 3.658 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.435 2.008 3.928 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.739 4.348 4.493 1.00 0.00 C ATOM 0 H VAL A 59 -0.551 4.067 1.689 1.00 0.00 H new ATOM 0 HA VAL A 59 2.359 3.917 1.883 1.00 0.00 H new ATOM 0 HB VAL A 59 0.440 2.751 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.438 1.770 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.161 1.120 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.429 2.340 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.752 4.078 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.714 4.744 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.975 5.106 4.321 1.00 0.00 H new ATOM 868 N LEU A 60 2.097 1.938 0.415 1.00 0.00 N ATOM 869 CA LEU A 60 2.008 0.751 -0.429 1.00 0.00 C ATOM 870 C LEU A 60 2.253 -0.515 0.385 1.00 0.00 C ATOM 871 O LEU A 60 3.357 -0.745 0.878 1.00 0.00 O ATOM 872 CB LEU A 60 3.019 0.839 -1.574 1.00 0.00 C ATOM 873 CG LEU A 60 3.328 -0.472 -2.299 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.152 -0.892 -3.166 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.590 -0.333 -3.138 1.00 0.00 C ATOM 0 H LEU A 60 2.903 2.533 0.223 1.00 0.00 H new ATOM 0 HA LEU A 60 1.001 0.704 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.648 1.557 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.952 1.241 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 60 3.497 -1.247 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.390 -1.827 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.271 -1.033 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.951 -0.118 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.794 -1.275 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.450 0.456 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.430 -0.080 -2.492 1.00 0.00 H new ATOM 887 N VAL A 61 1.216 -1.336 0.519 1.00 0.00 N ATOM 888 CA VAL A 61 1.319 -2.582 1.270 1.00 0.00 C ATOM 889 C VAL A 61 1.395 -3.783 0.335 1.00 0.00 C ATOM 890 O VAL A 61 0.444 -4.081 -0.389 1.00 0.00 O ATOM 891 CB VAL A 61 0.124 -2.762 2.225 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.076 -4.186 2.757 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.199 -1.760 3.367 1.00 0.00 C ATOM 0 H VAL A 61 0.295 -1.161 0.117 1.00 0.00 H new ATOM 0 HA VAL A 61 2.236 -2.524 1.856 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.795 -2.576 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.775 -4.295 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.029 -4.882 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.997 -4.403 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.653 -1.902 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.123 -1.912 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.181 -0.747 2.964 1.00 0.00 H new ATOM 903 N VAL A 62 2.532 -4.471 0.354 1.00 0.00 N ATOM 904 CA VAL A 62 2.731 -5.642 -0.492 1.00 0.00 C ATOM 905 C VAL A 62 2.729 -6.923 0.334 1.00 0.00 C ATOM 906 O VAL A 62 3.127 -6.923 1.499 1.00 0.00 O ATOM 907 CB VAL A 62 4.055 -5.551 -1.273 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.095 -6.593 -2.380 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.244 -4.152 -1.840 1.00 0.00 C ATOM 0 H VAL A 62 3.329 -4.238 0.946 1.00 0.00 H new ATOM 0 HA VAL A 62 1.901 -5.667 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 62 4.876 -5.754 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.038 -6.513 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.009 -7.589 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.267 -6.425 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.185 -4.106 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.419 -3.918 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.264 -3.429 -1.025 1.00 0.00 H new ATOM 919 N TRP A 63 2.277 -8.013 -0.276 1.00 0.00 N ATOM 920 CA TRP A 63 2.223 -9.302 0.403 1.00 0.00 C ATOM 921 C TRP A 63 3.501 -10.098 0.164 1.00 0.00 C ATOM 922 O TRP A 63 3.845 -10.409 -0.977 1.00 0.00 O ATOM 923 CB TRP A 63 1.011 -10.104 -0.075 1.00 0.00 C ATOM 924 CG TRP A 63 1.060 -11.548 0.321 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.329 -12.612 -0.491 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.832 -12.087 1.628 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.282 -13.780 0.232 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.980 -13.484 1.535 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.519 -11.524 2.868 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.824 -14.324 2.634 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.364 -12.359 3.959 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.517 -13.746 3.836 1.00 0.00 C ATOM 0 H TRP A 63 1.943 -8.030 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 63 2.128 -9.116 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.104 -9.654 0.330 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.944 -10.035 -1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.547 -12.546 -1.547 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.445 -14.715 -0.141 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.400 -10.456 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.941 -15.394 2.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.121 -11.935 4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.390 -14.372 4.707 1.00 0.00 H new ATOM 943 N ASP A 64 4.201 -10.425 1.244 1.00 0.00 N ATOM 944 CA ASP A 64 5.441 -11.186 1.151 1.00 0.00 C ATOM 945 C ASP A 64 5.177 -12.679 1.322 1.00 0.00 C ATOM 946 O ASP A 64 5.322 -13.222 2.416 1.00 0.00 O ATOM 947 CB ASP A 64 6.439 -10.708 2.207 1.00 0.00 C ATOM 948 CG ASP A 64 6.695 -9.215 2.128 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.777 -8.477 1.712 1.00 0.00 O ATOM 950 OD2 ASP A 64 7.812 -8.786 2.484 1.00 0.00 O ATOM 0 H ASP A 64 3.931 -10.175 2.195 1.00 0.00 H new ATOM 0 HA ASP A 64 5.865 -11.021 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.061 -10.957 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.381 -11.242 2.081 1.00 0.00 H new ATOM 955 N GLU A 65 4.788 -13.335 0.233 1.00 0.00 N ATOM 956 CA GLU A 65 4.502 -14.764 0.265 1.00 0.00 C ATOM 957 C GLU A 65 5.639 -15.532 0.932 1.00 0.00 C ATOM 958 O GLU A 65 5.406 -16.465 1.702 1.00 0.00 O ATOM 959 CB GLU A 65 4.277 -15.293 -1.154 1.00 0.00 C ATOM 960 CG GLU A 65 3.764 -16.723 -1.196 1.00 0.00 C ATOM 961 CD GLU A 65 2.250 -16.799 -1.193 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.606 -15.820 -1.626 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.708 -17.837 -0.759 1.00 0.00 O ATOM 0 H GLU A 65 4.664 -12.900 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 65 3.594 -14.914 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.565 -14.645 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.215 -15.236 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.147 -17.217 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.153 -17.270 -0.338 1.00 0.00 H new ATOM 970 N THR A 66 6.871 -15.134 0.631 1.00 0.00 N ATOM 971 CA THR A 66 8.045 -15.784 1.199 1.00 0.00 C ATOM 972 C THR A 66 8.036 -15.702 2.721 1.00 0.00 C ATOM 973 O THR A 66 8.547 -16.590 3.403 1.00 0.00 O ATOM 974 CB THR A 66 9.347 -15.156 0.669 1.00 0.00 C ATOM 975 OG1 THR A 66 9.379 -13.759 0.982 1.00 0.00 O ATOM 976 CG2 THR A 66 9.467 -15.346 -0.835 1.00 0.00 C ATOM 0 H THR A 66 7.082 -14.364 -0.004 1.00 0.00 H new ATOM 0 HA THR A 66 8.006 -16.830 0.894 1.00 0.00 H new ATOM 0 HB THR A 66 10.188 -15.656 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.235 -13.538 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.395 -14.894 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.471 -16.411 -1.068 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.621 -14.870 -1.331 1.00 0.00 H new ATOM 984 N SER A 67 7.453 -14.630 3.248 1.00 0.00 N ATOM 985 CA SER A 67 7.381 -14.430 4.691 1.00 0.00 C ATOM 986 C SER A 67 5.973 -14.707 5.208 1.00 0.00 C ATOM 987 O SER A 67 5.750 -14.798 6.414 1.00 0.00 O ATOM 988 CB SER A 67 7.797 -13.002 5.050 1.00 0.00 C ATOM 989 OG SER A 67 8.387 -12.952 6.338 1.00 0.00 O ATOM 0 H SER A 67 7.024 -13.886 2.697 1.00 0.00 H new ATOM 0 HA SER A 67 8.068 -15.131 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.503 -12.628 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.926 -12.347 5.020 1.00 0.00 H new ATOM 0 HG SER A 67 8.646 -12.029 6.544 1.00 0.00 H new ATOM 995 N ASN A 68 5.026 -14.841 4.285 1.00 0.00 N ATOM 996 CA ASN A 68 3.639 -15.107 4.646 1.00 0.00 C ATOM 997 C ASN A 68 3.053 -13.948 5.447 1.00 0.00 C ATOM 998 O ASN A 68 2.111 -14.125 6.220 1.00 0.00 O ATOM 999 CB ASN A 68 3.540 -16.402 5.456 1.00 0.00 C ATOM 1000 CG ASN A 68 2.106 -16.856 5.648 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.579 -16.831 6.760 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.468 -17.275 4.561 1.00 0.00 N ATOM 0 H ASN A 68 5.194 -14.770 3.282 1.00 0.00 H new ATOM 0 HA ASN A 68 3.065 -15.217 3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.102 -17.187 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.005 -16.254 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.501 -17.593 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.945 -17.278 3.659 1.00 0.00 H new ATOM 1009 N LYS A 69 3.616 -12.760 5.256 1.00 0.00 N ATOM 1010 CA LYS A 69 3.150 -11.569 5.957 1.00 0.00 C ATOM 1011 C LYS A 69 3.064 -10.378 5.009 1.00 0.00 C ATOM 1012 O LYS A 69 3.447 -10.471 3.843 1.00 0.00 O ATOM 1013 CB LYS A 69 4.086 -11.240 7.123 1.00 0.00 C ATOM 1014 CG LYS A 69 5.544 -11.114 6.716 1.00 0.00 C ATOM 1015 CD LYS A 69 6.290 -10.138 7.610 1.00 0.00 C ATOM 1016 CE LYS A 69 6.414 -10.666 9.031 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.630 -10.143 9.713 1.00 0.00 N ATOM 0 H LYS A 69 4.397 -12.596 4.621 1.00 0.00 H new ATOM 0 HA LYS A 69 2.152 -11.774 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.764 -10.306 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.995 -12.018 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.022 -12.092 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.606 -10.780 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.284 -9.955 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.768 -9.181 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.529 -10.385 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.448 -11.755 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.678 -10.526 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.477 -10.432 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.585 -9.105 9.754 1.00 0.00 H new ATOM 1031 N VAL A 70 2.560 -9.258 5.518 1.00 0.00 N ATOM 1032 CA VAL A 70 2.426 -8.047 4.717 1.00 0.00 C ATOM 1033 C VAL A 70 3.430 -6.986 5.153 1.00 0.00 C ATOM 1034 O VAL A 70 3.885 -6.980 6.297 1.00 0.00 O ATOM 1035 CB VAL A 70 1.004 -7.464 4.814 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.029 -8.506 4.414 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.736 -6.948 6.220 1.00 0.00 C ATOM 0 H VAL A 70 2.238 -9.164 6.481 1.00 0.00 H new ATOM 0 HA VAL A 70 2.625 -8.328 3.683 1.00 0.00 H new ATOM 0 HB VAL A 70 0.925 -6.626 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.028 -8.076 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.153 -8.824 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.046 -9.367 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.273 -6.539 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.833 -7.767 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.456 -6.167 6.465 1.00 0.00 H new ATOM 1047 N ARG A 71 3.770 -6.088 4.234 1.00 0.00 N ATOM 1048 CA ARG A 71 4.721 -5.021 4.524 1.00 0.00 C ATOM 1049 C ARG A 71 4.085 -3.652 4.305 1.00 0.00 C ATOM 1050 O ARG A 71 3.003 -3.544 3.730 1.00 0.00 O ATOM 1051 CB ARG A 71 5.964 -5.164 3.643 1.00 0.00 C ATOM 1052 CG ARG A 71 6.608 -6.539 3.718 1.00 0.00 C ATOM 1053 CD ARG A 71 7.445 -6.694 4.979 1.00 0.00 C ATOM 1054 NE ARG A 71 6.635 -6.589 6.189 1.00 0.00 N ATOM 1055 CZ ARG A 71 7.123 -6.226 7.370 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.410 -5.935 7.499 1.00 0.00 N ATOM 1057 NH2 ARG A 71 6.323 -6.153 8.426 1.00 0.00 N ATOM 0 H ARG A 71 3.401 -6.078 3.283 1.00 0.00 H new ATOM 0 HA ARG A 71 5.014 -5.104 5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.692 -4.955 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.696 -4.412 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.834 -7.306 3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.236 -6.696 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.949 -7.660 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.222 -5.929 4.995 1.00 0.00 H new ATOM 0 HE ARG A 71 5.640 -6.806 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.029 -5.989 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.781 -5.657 8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.332 -6.376 8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.699 -5.874 9.332 1.00 0.00 H new ATOM 1071 N ASN A 72 4.765 -2.608 4.770 1.00 0.00 N ATOM 1072 CA ASN A 72 4.265 -1.245 4.626 1.00 0.00 C ATOM 1073 C ASN A 72 5.301 -0.356 3.946 1.00 0.00 C ATOM 1074 O ASN A 72 6.434 -0.236 4.412 1.00 0.00 O ATOM 1075 CB ASN A 72 3.900 -0.667 5.995 1.00 0.00 C ATOM 1076 CG ASN A 72 3.275 -1.701 6.911 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.082 -2.164 6.555 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 3.858 -2.080 7.927 1.00 0.00 N flip ATOM 0 H ASN A 72 5.663 -2.680 5.249 1.00 0.00 H new ATOM 0 HA ASN A 72 3.372 -1.275 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.796 -0.262 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.207 0.164 5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.774 -1.697 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.425 -2.777 8.533 1.00 0.00 H new ATOM 1085 N TYR A 73 4.904 0.267 2.841 1.00 0.00 N ATOM 1086 CA TYR A 73 5.798 1.144 2.095 1.00 0.00 C ATOM 1087 C TYR A 73 5.183 2.530 1.925 1.00 0.00 C ATOM 1088 O TYR A 73 4.479 2.794 0.950 1.00 0.00 O ATOM 1089 CB TYR A 73 6.112 0.542 0.725 1.00 0.00 C ATOM 1090 CG TYR A 73 6.962 -0.707 0.793 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.349 -0.630 0.765 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.377 -1.964 0.886 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.129 -1.768 0.826 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.149 -3.108 0.949 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.524 -3.005 0.919 1.00 0.00 C ATOM 1096 OH TYR A 73 9.298 -4.141 0.981 1.00 0.00 O ATOM 0 H TYR A 73 3.969 0.180 2.443 1.00 0.00 H new ATOM 0 HA TYR A 73 6.724 1.243 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.176 0.307 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.625 1.288 0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.825 0.337 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.301 -2.048 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.206 -1.690 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.678 -4.077 1.021 1.00 0.00 H new ATOM 0 HH TYR A 73 10.207 -3.934 0.680 1.00 0.00 H new ATOM 1106 N ARG A 74 5.456 3.413 2.881 1.00 0.00 N ATOM 1107 CA ARG A 74 4.930 4.772 2.838 1.00 0.00 C ATOM 1108 C ARG A 74 5.278 5.448 1.515 1.00 0.00 C ATOM 1109 O ARG A 74 6.389 5.303 1.006 1.00 0.00 O ATOM 1110 CB ARG A 74 5.485 5.593 4.004 1.00 0.00 C ATOM 1111 CG ARG A 74 6.954 5.951 3.852 1.00 0.00 C ATOM 1112 CD ARG A 74 7.844 4.727 4.003 1.00 0.00 C ATOM 1113 NE ARG A 74 9.147 5.065 4.569 1.00 0.00 N ATOM 1114 CZ ARG A 74 9.959 4.174 5.128 1.00 0.00 C ATOM 1115 NH1 ARG A 74 9.603 2.899 5.195 1.00 0.00 N ATOM 1116 NH2 ARG A 74 11.129 4.559 5.621 1.00 0.00 N ATOM 0 H ARG A 74 6.038 3.211 3.694 1.00 0.00 H new ATOM 0 HA ARG A 74 3.845 4.718 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.904 6.510 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.350 5.032 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.120 6.405 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.227 6.696 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.350 3.996 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.982 4.257 3.029 1.00 0.00 H new ATOM 0 HE ARG A 74 9.450 6.038 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.704 2.600 4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.228 2.217 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.406 5.539 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.752 3.875 6.050 1.00 0.00 H new ATOM 1130 N ILE A 75 4.320 6.187 0.965 1.00 0.00 N ATOM 1131 CA ILE A 75 4.525 6.885 -0.298 1.00 0.00 C ATOM 1132 C ILE A 75 4.620 8.392 -0.084 1.00 0.00 C ATOM 1133 O ILE A 75 3.635 9.043 0.266 1.00 0.00 O ATOM 1134 CB ILE A 75 3.390 6.590 -1.296 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.260 5.083 -1.524 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.641 7.311 -2.612 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.850 4.640 -1.847 1.00 0.00 C ATOM 0 H ILE A 75 3.395 6.318 1.374 1.00 0.00 H new ATOM 0 HA ILE A 75 5.465 6.519 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 75 2.453 6.957 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.920 4.789 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.602 4.558 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.830 7.093 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.688 8.386 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.585 6.972 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.833 3.560 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.188 4.903 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.512 5.137 -2.756 1.00 0.00 H new ATOM 1149 N PHE A 76 5.811 8.941 -0.298 1.00 0.00 N ATOM 1150 CA PHE A 76 6.035 10.372 -0.129 1.00 0.00 C ATOM 1151 C PHE A 76 5.674 11.133 -1.402 1.00 0.00 C ATOM 1152 O PHE A 76 5.426 10.532 -2.447 1.00 0.00 O ATOM 1153 CB PHE A 76 7.495 10.641 0.242 1.00 0.00 C ATOM 1154 CG PHE A 76 7.938 9.927 1.487 1.00 0.00 C ATOM 1155 CD1 PHE A 76 8.392 8.619 1.427 1.00 0.00 C ATOM 1156 CD2 PHE A 76 7.900 10.563 2.717 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.800 7.960 2.571 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.307 9.908 3.865 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.758 8.605 3.791 1.00 0.00 C ATOM 0 H PHE A 76 6.636 8.417 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 76 5.392 10.722 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.134 10.339 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.635 11.713 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.427 8.109 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.548 11.582 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.152 6.941 2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.272 10.415 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.077 8.091 4.686 1.00 0.00 H new ATOM 1169 N GLU A 77 5.646 12.458 -1.304 1.00 0.00 N ATOM 1170 CA GLU A 77 5.314 13.301 -2.446 1.00 0.00 C ATOM 1171 C GLU A 77 6.386 14.363 -2.669 1.00 0.00 C ATOM 1172 O GLU A 77 6.491 15.326 -1.908 1.00 0.00 O ATOM 1173 CB GLU A 77 3.954 13.970 -2.237 1.00 0.00 C ATOM 1174 CG GLU A 77 3.408 14.644 -3.484 1.00 0.00 C ATOM 1175 CD GLU A 77 2.394 15.725 -3.167 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.209 15.386 -2.964 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.784 16.911 -3.122 1.00 0.00 O ATOM 0 H GLU A 77 5.849 12.971 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 77 5.266 12.666 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.239 13.221 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.042 14.711 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.233 15.079 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.945 13.894 -4.125 1.00 0.00 H new ATOM 1184 N LYS A 78 7.182 14.182 -3.717 1.00 0.00 N ATOM 1185 CA LYS A 78 8.247 15.123 -4.042 1.00 0.00 C ATOM 1186 C LYS A 78 8.238 15.463 -5.529 1.00 0.00 C ATOM 1187 O LYS A 78 8.063 14.585 -6.375 1.00 0.00 O ATOM 1188 CB LYS A 78 9.607 14.542 -3.649 1.00 0.00 C ATOM 1189 CG LYS A 78 10.784 15.279 -4.265 1.00 0.00 C ATOM 1190 CD LYS A 78 12.097 14.875 -3.615 1.00 0.00 C ATOM 1191 CE LYS A 78 12.413 15.748 -2.409 1.00 0.00 C ATOM 1192 NZ LYS A 78 11.847 15.184 -1.153 1.00 0.00 N ATOM 0 H LYS A 78 7.109 13.391 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 78 8.073 16.039 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.703 14.565 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.646 13.495 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.827 15.070 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.639 16.354 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.046 13.831 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.904 14.953 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.493 15.849 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.013 16.749 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.439 15.469 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.880 15.542 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.826 14.146 -1.217 1.00 0.00 H new ATOM 1206 N ASP A 79 8.429 16.740 -5.841 1.00 0.00 N ATOM 1207 CA ASP A 79 8.445 17.194 -7.227 1.00 0.00 C ATOM 1208 C ASP A 79 7.291 16.582 -8.013 1.00 0.00 C ATOM 1209 O ASP A 79 7.389 16.379 -9.223 1.00 0.00 O ATOM 1210 CB ASP A 79 9.777 16.835 -7.888 1.00 0.00 C ATOM 1211 CG ASP A 79 10.890 17.788 -7.502 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.595 18.975 -7.249 1.00 0.00 O ATOM 1213 OD2 ASP A 79 12.058 17.347 -7.453 1.00 0.00 O ATOM 0 H ASP A 79 8.575 17.479 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 79 8.327 18.278 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.057 15.820 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.655 16.843 -8.971 1.00 0.00 H new ATOM 1218 N SER A 80 6.197 16.287 -7.317 1.00 0.00 N ATOM 1219 CA SER A 80 5.025 15.693 -7.949 1.00 0.00 C ATOM 1220 C SER A 80 5.337 14.289 -8.460 1.00 0.00 C ATOM 1221 O SER A 80 4.874 13.887 -9.528 1.00 0.00 O ATOM 1222 CB SER A 80 4.541 16.573 -9.103 1.00 0.00 C ATOM 1223 OG SER A 80 4.270 17.891 -8.660 1.00 0.00 O ATOM 0 H SER A 80 6.098 16.450 -6.315 1.00 0.00 H new ATOM 0 HA SER A 80 4.236 15.621 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.297 16.598 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.641 16.141 -9.541 1.00 0.00 H new ATOM 0 HG SER A 80 3.964 18.434 -9.416 1.00 0.00 H new ATOM 1229 N LYS A 81 6.126 13.548 -7.690 1.00 0.00 N ATOM 1230 CA LYS A 81 6.500 12.189 -8.062 1.00 0.00 C ATOM 1231 C LYS A 81 6.636 11.304 -6.826 1.00 0.00 C ATOM 1232 O LYS A 81 7.518 11.515 -5.994 1.00 0.00 O ATOM 1233 CB LYS A 81 7.816 12.196 -8.844 1.00 0.00 C ATOM 1234 CG LYS A 81 7.833 13.185 -9.996 1.00 0.00 C ATOM 1235 CD LYS A 81 8.717 12.701 -11.134 1.00 0.00 C ATOM 1236 CE LYS A 81 8.921 13.785 -12.181 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.210 13.211 -13.524 1.00 0.00 N ATOM 0 H LYS A 81 6.519 13.866 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 81 5.711 11.782 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.633 12.431 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.003 11.195 -9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.817 13.336 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.191 14.152 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.684 12.390 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.266 11.825 -11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.029 14.409 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.744 14.432 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.343 13.982 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.076 12.636 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.414 12.613 -13.825 1.00 0.00 H new ATOM 1251 N PHE A 82 5.757 10.314 -6.714 1.00 0.00 N ATOM 1252 CA PHE A 82 5.780 9.397 -5.580 1.00 0.00 C ATOM 1253 C PHE A 82 7.123 8.679 -5.487 1.00 0.00 C ATOM 1254 O PHE A 82 7.667 8.224 -6.494 1.00 0.00 O ATOM 1255 CB PHE A 82 4.649 8.373 -5.703 1.00 0.00 C ATOM 1256 CG PHE A 82 3.319 8.986 -6.035 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.686 9.829 -5.136 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.701 8.719 -7.246 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.461 10.394 -5.439 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.477 9.281 -7.555 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.857 10.120 -6.651 1.00 0.00 C ATOM 0 H PHE A 82 5.020 10.126 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 82 5.637 9.980 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.909 7.648 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.563 7.824 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.155 10.047 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.182 8.064 -7.957 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.977 11.049 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.006 9.064 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.099 10.562 -6.891 1.00 0.00 H new ATOM 1271 N TYR A 83 7.653 8.584 -4.273 1.00 0.00 N ATOM 1272 CA TYR A 83 8.934 7.925 -4.048 1.00 0.00 C ATOM 1273 C TYR A 83 8.958 7.230 -2.689 1.00 0.00 C ATOM 1274 O TYR A 83 8.235 7.615 -1.769 1.00 0.00 O ATOM 1275 CB TYR A 83 10.075 8.939 -4.134 1.00 0.00 C ATOM 1276 CG TYR A 83 10.203 9.814 -2.907 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.918 9.384 -1.796 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.608 11.068 -2.859 1.00 0.00 C ATOM 1279 CE1 TYR A 83 11.037 10.179 -0.672 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.722 11.870 -1.740 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.438 11.421 -0.650 1.00 0.00 C ATOM 1282 OH TYR A 83 10.553 12.217 0.467 1.00 0.00 O ATOM 0 H TYR A 83 7.216 8.955 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 83 9.067 7.171 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 83 11.013 8.405 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.921 9.573 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.389 8.412 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 83 9.047 11.422 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.596 9.830 0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.253 12.843 -1.719 1.00 0.00 H new ATOM 0 HH TYR A 83 10.074 13.059 0.319 1.00 0.00 H new ATOM 1292 N LEU A 84 9.794 6.205 -2.572 1.00 0.00 N ATOM 1293 CA LEU A 84 9.915 5.455 -1.326 1.00 0.00 C ATOM 1294 C LEU A 84 11.325 5.568 -0.757 1.00 0.00 C ATOM 1295 O LEU A 84 11.514 5.590 0.459 1.00 0.00 O ATOM 1296 CB LEU A 84 9.562 3.985 -1.556 1.00 0.00 C ATOM 1297 CG LEU A 84 8.318 3.718 -2.404 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.059 2.223 -2.517 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.108 4.427 -1.813 1.00 0.00 C ATOM 0 H LEU A 84 10.398 5.874 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 84 9.217 5.881 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.413 3.498 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.424 3.509 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 84 8.493 4.112 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.170 2.053 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.916 1.740 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.905 1.804 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.232 4.226 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.931 4.063 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.293 5.501 -1.785 1.00 0.00 H new ATOM 1311 N GLU A 85 12.312 5.642 -1.644 1.00 0.00 N ATOM 1312 CA GLU A 85 13.706 5.755 -1.229 1.00 0.00 C ATOM 1313 C GLU A 85 14.164 7.210 -1.251 1.00 0.00 C ATOM 1314 O GLU A 85 14.914 7.649 -0.380 1.00 0.00 O ATOM 1315 CB GLU A 85 14.602 4.913 -2.140 1.00 0.00 C ATOM 1316 CG GLU A 85 14.438 5.230 -3.617 1.00 0.00 C ATOM 1317 CD GLU A 85 15.450 4.507 -4.485 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.663 4.653 -4.230 1.00 0.00 O ATOM 1319 OE2 GLU A 85 15.027 3.794 -5.419 1.00 0.00 O ATOM 0 H GLU A 85 12.173 5.626 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 85 13.786 5.383 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.643 5.069 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.382 3.858 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.432 4.956 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.538 6.305 -3.767 1.00 0.00 H new ATOM 1326 N GLY A 86 13.707 7.954 -2.254 1.00 0.00 N ATOM 1327 CA GLY A 86 14.080 9.351 -2.371 1.00 0.00 C ATOM 1328 C GLY A 86 14.449 9.735 -3.791 1.00 0.00 C ATOM 1329 O GLY A 86 13.579 9.856 -4.653 1.00 0.00 O ATOM 0 H GLY A 86 13.085 7.614 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.253 9.975 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.924 9.555 -1.712 1.00 0.00 H new ATOM 1333 N GLU A 87 15.741 9.930 -4.033 1.00 0.00 N ATOM 1334 CA GLU A 87 16.221 10.306 -5.357 1.00 0.00 C ATOM 1335 C GLU A 87 15.393 9.632 -6.448 1.00 0.00 C ATOM 1336 O GLU A 87 15.173 10.201 -7.517 1.00 0.00 O ATOM 1337 CB GLU A 87 17.696 9.928 -5.516 1.00 0.00 C ATOM 1338 CG GLU A 87 17.941 8.429 -5.542 1.00 0.00 C ATOM 1339 CD GLU A 87 19.405 8.081 -5.729 1.00 0.00 C ATOM 1340 OE1 GLU A 87 20.045 8.667 -6.627 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.910 7.221 -4.978 1.00 0.00 O ATOM 0 H GLU A 87 16.474 9.834 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 87 16.116 11.386 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.077 10.366 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.265 10.366 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.583 7.990 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.359 7.983 -6.349 1.00 0.00 H new ATOM 1348 N VAL A 88 14.936 8.416 -6.169 1.00 0.00 N ATOM 1349 CA VAL A 88 14.131 7.664 -7.124 1.00 0.00 C ATOM 1350 C VAL A 88 12.642 7.902 -6.896 1.00 0.00 C ATOM 1351 O VAL A 88 12.061 7.393 -5.937 1.00 0.00 O ATOM 1352 CB VAL A 88 14.418 6.153 -7.034 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.546 5.384 -8.014 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.892 5.875 -7.287 1.00 0.00 C ATOM 0 H VAL A 88 15.109 7.930 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 88 14.405 8.020 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 88 14.176 5.814 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.763 4.319 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.496 5.558 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.753 5.723 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.077 4.803 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.163 6.228 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.494 6.394 -6.541 1.00 0.00 H new ATOM 1364 N LEU A 89 12.030 8.678 -7.784 1.00 0.00 N ATOM 1365 CA LEU A 89 10.608 8.984 -7.681 1.00 0.00 C ATOM 1366 C LEU A 89 9.864 8.543 -8.937 1.00 0.00 C ATOM 1367 O LEU A 89 10.452 7.956 -9.846 1.00 0.00 O ATOM 1368 CB LEU A 89 10.403 10.482 -7.453 1.00 0.00 C ATOM 1369 CG LEU A 89 11.454 11.179 -6.587 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.572 11.740 -7.452 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.814 12.282 -5.756 1.00 0.00 C ATOM 0 H LEU A 89 12.497 9.107 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 89 10.205 8.435 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.375 10.977 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.426 10.629 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 89 11.884 10.443 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.310 12.232 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.049 10.928 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.159 12.462 -8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.576 12.767 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.357 13.017 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.050 11.853 -5.108 1.00 0.00 H new ATOM 1383 N PHE A 90 8.567 8.831 -8.983 1.00 0.00 N ATOM 1384 CA PHE A 90 7.742 8.466 -10.128 1.00 0.00 C ATOM 1385 C PHE A 90 6.594 9.455 -10.310 1.00 0.00 C ATOM 1386 O PHE A 90 5.787 9.659 -9.403 1.00 0.00 O ATOM 1387 CB PHE A 90 7.188 7.050 -9.954 1.00 0.00 C ATOM 1388 CG PHE A 90 8.254 6.003 -9.806 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.757 5.679 -8.556 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.754 5.342 -10.916 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.739 4.716 -8.417 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.735 4.378 -10.784 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.228 4.064 -9.532 1.00 0.00 C ATOM 0 H PHE A 90 8.065 9.316 -8.240 1.00 0.00 H new ATOM 0 HA PHE A 90 8.369 8.497 -11.019 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.543 7.026 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.565 6.804 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.377 6.185 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.372 5.583 -11.897 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.123 4.474 -7.437 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.116 3.871 -11.658 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.994 3.310 -9.426 1.00 0.00 H new ATOM 1403 N VAL A 91 6.529 10.067 -11.488 1.00 0.00 N ATOM 1404 CA VAL A 91 5.481 11.035 -11.789 1.00 0.00 C ATOM 1405 C VAL A 91 4.111 10.507 -11.377 1.00 0.00 C ATOM 1406 O VAL A 91 3.177 11.279 -11.161 1.00 0.00 O ATOM 1407 CB VAL A 91 5.455 11.384 -13.289 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.845 10.244 -14.092 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.690 12.678 -13.521 1.00 0.00 C ATOM 0 H VAL A 91 7.189 9.910 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 91 5.707 11.935 -11.218 1.00 0.00 H new ATOM 0 HB VAL A 91 6.481 11.528 -13.629 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.835 10.508 -15.149 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.438 9.341 -13.950 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.825 10.065 -13.753 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.681 12.910 -14.586 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.666 12.564 -13.166 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.174 13.489 -12.977 1.00 0.00 H new ATOM 1419 N SER A 92 3.999 9.187 -11.270 1.00 0.00 N ATOM 1420 CA SER A 92 2.742 8.555 -10.887 1.00 0.00 C ATOM 1421 C SER A 92 2.969 7.107 -10.464 1.00 0.00 C ATOM 1422 O SER A 92 3.854 6.428 -10.984 1.00 0.00 O ATOM 1423 CB SER A 92 1.745 8.611 -12.046 1.00 0.00 C ATOM 1424 OG SER A 92 2.337 8.154 -13.250 1.00 0.00 O ATOM 0 H SER A 92 4.764 8.534 -11.443 1.00 0.00 H new ATOM 0 HA SER A 92 2.332 9.102 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.874 8.000 -11.810 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.391 9.634 -12.176 1.00 0.00 H new ATOM 0 HG SER A 92 1.679 8.198 -13.975 1.00 0.00 H new ATOM 1430 N VAL A 93 2.162 6.640 -9.517 1.00 0.00 N ATOM 1431 CA VAL A 93 2.272 5.273 -9.024 1.00 0.00 C ATOM 1432 C VAL A 93 2.479 4.290 -10.171 1.00 0.00 C ATOM 1433 O VAL A 93 3.304 3.382 -10.083 1.00 0.00 O ATOM 1434 CB VAL A 93 1.019 4.860 -8.229 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.151 3.430 -7.728 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.782 5.819 -7.073 1.00 0.00 C ATOM 0 H VAL A 93 1.424 7.189 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 93 3.138 5.244 -8.363 1.00 0.00 H new ATOM 0 HB VAL A 93 0.156 4.908 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.256 3.156 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.268 2.756 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.023 3.351 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.107 5.512 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.644 5.806 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.639 6.828 -7.461 1.00 0.00 H new ATOM 1446 N GLY A 94 1.725 4.479 -11.249 1.00 0.00 N ATOM 1447 CA GLY A 94 1.841 3.602 -12.399 1.00 0.00 C ATOM 1448 C GLY A 94 3.281 3.260 -12.724 1.00 0.00 C ATOM 1449 O GLY A 94 3.688 2.102 -12.630 1.00 0.00 O ATOM 0 H GLY A 94 1.035 5.224 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.287 2.683 -12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.380 4.079 -13.264 1.00 0.00 H new ATOM 1453 N SER A 95 4.056 4.269 -13.109 1.00 0.00 N ATOM 1454 CA SER A 95 5.458 4.068 -13.455 1.00 0.00 C ATOM 1455 C SER A 95 6.184 3.302 -12.353 1.00 0.00 C ATOM 1456 O SER A 95 6.881 2.323 -12.620 1.00 0.00 O ATOM 1457 CB SER A 95 6.145 5.414 -13.693 1.00 0.00 C ATOM 1458 OG SER A 95 7.188 5.294 -14.644 1.00 0.00 O ATOM 0 H SER A 95 3.736 5.234 -13.189 1.00 0.00 H new ATOM 0 HA SER A 95 5.500 3.480 -14.372 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.413 6.143 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.548 5.791 -12.753 1.00 0.00 H new ATOM 0 HG SER A 95 7.610 6.168 -14.779 1.00 0.00 H new ATOM 1464 N MET A 96 6.015 3.755 -11.116 1.00 0.00 N ATOM 1465 CA MET A 96 6.653 3.111 -9.973 1.00 0.00 C ATOM 1466 C MET A 96 6.402 1.607 -9.986 1.00 0.00 C ATOM 1467 O MET A 96 7.322 0.812 -9.795 1.00 0.00 O ATOM 1468 CB MET A 96 6.136 3.716 -8.666 1.00 0.00 C ATOM 1469 CG MET A 96 6.901 3.251 -7.437 1.00 0.00 C ATOM 1470 SD MET A 96 6.383 4.102 -5.934 1.00 0.00 S ATOM 1471 CE MET A 96 4.640 3.694 -5.897 1.00 0.00 C ATOM 0 H MET A 96 5.442 4.565 -10.879 1.00 0.00 H new ATOM 0 HA MET A 96 7.727 3.282 -10.044 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.194 4.803 -8.730 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.083 3.459 -8.548 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.759 2.178 -7.310 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.967 3.415 -7.594 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.313 3.587 -4.863 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.070 4.489 -6.377 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.474 2.757 -6.429 1.00 0.00 H new ATOM 1481 N VAL A 97 5.149 1.223 -10.211 1.00 0.00 N ATOM 1482 CA VAL A 97 4.777 -0.187 -10.250 1.00 0.00 C ATOM 1483 C VAL A 97 5.521 -0.921 -11.360 1.00 0.00 C ATOM 1484 O VAL A 97 6.080 -1.995 -11.140 1.00 0.00 O ATOM 1485 CB VAL A 97 3.262 -0.361 -10.459 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.896 -1.837 -10.514 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.487 0.348 -9.358 1.00 0.00 C ATOM 0 H VAL A 97 4.375 1.868 -10.369 1.00 0.00 H new ATOM 0 HA VAL A 97 5.055 -0.615 -9.287 1.00 0.00 H new ATOM 0 HB VAL A 97 2.990 0.092 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.821 -1.940 -10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.424 -2.312 -11.341 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.181 -2.318 -9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.418 0.214 -9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.761 -0.073 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.726 1.411 -9.372 1.00 0.00 H new ATOM 1497 N GLU A 98 5.523 -0.334 -12.552 1.00 0.00 N ATOM 1498 CA GLU A 98 6.198 -0.934 -13.697 1.00 0.00 C ATOM 1499 C GLU A 98 7.709 -0.958 -13.486 1.00 0.00 C ATOM 1500 O GLU A 98 8.404 -1.839 -13.993 1.00 0.00 O ATOM 1501 CB GLU A 98 5.862 -0.164 -14.976 1.00 0.00 C ATOM 1502 CG GLU A 98 4.504 0.515 -14.939 1.00 0.00 C ATOM 1503 CD GLU A 98 3.869 0.626 -16.312 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.078 -0.286 -17.138 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.163 1.626 -16.559 1.00 0.00 O ATOM 0 H GLU A 98 5.065 0.556 -12.750 1.00 0.00 H new ATOM 0 HA GLU A 98 5.846 -1.961 -13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.631 0.589 -15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.892 -0.851 -15.822 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.840 -0.045 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.612 1.512 -14.511 1.00 0.00 H new ATOM 1512 N HIS A 99 8.212 0.018 -12.736 1.00 0.00 N ATOM 1513 CA HIS A 99 9.641 0.110 -12.458 1.00 0.00 C ATOM 1514 C HIS A 99 10.073 -0.970 -11.471 1.00 0.00 C ATOM 1515 O HIS A 99 11.038 -1.696 -11.712 1.00 0.00 O ATOM 1516 CB HIS A 99 9.986 1.492 -11.903 1.00 0.00 C ATOM 1517 CG HIS A 99 11.237 1.512 -11.080 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.484 1.044 -9.834 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.420 2.064 -11.522 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.799 1.318 -9.550 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.342 1.934 -10.585 1.00 0.00 N flip ATOM 0 H HIS A 99 7.651 0.756 -12.310 1.00 0.00 H new ATOM 0 HA HIS A 99 10.179 -0.042 -13.394 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.096 2.191 -12.733 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.155 1.848 -11.294 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.817 0.575 -9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.570 2.530 -12.485 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.307 1.070 -8.630 1.00 0.00 H new ATOM 1530 N TYR A 100 9.353 -1.071 -10.359 1.00 0.00 N ATOM 1531 CA TYR A 100 9.663 -2.060 -9.334 1.00 0.00 C ATOM 1532 C TYR A 100 9.504 -3.476 -9.878 1.00 0.00 C ATOM 1533 O TYR A 100 10.184 -4.404 -9.436 1.00 0.00 O ATOM 1534 CB TYR A 100 8.759 -1.864 -8.116 1.00 0.00 C ATOM 1535 CG TYR A 100 9.135 -0.671 -7.268 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.465 -0.393 -6.976 1.00 0.00 C ATOM 1537 CD2 TYR A 100 8.161 0.178 -6.756 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.814 0.696 -6.201 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.501 1.270 -5.981 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.829 1.525 -5.706 1.00 0.00 C ATOM 1541 OH TYR A 100 10.171 2.610 -4.933 1.00 0.00 O ATOM 0 H TYR A 100 8.550 -0.479 -10.145 1.00 0.00 H new ATOM 0 HA TYR A 100 10.701 -1.921 -9.033 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.729 -1.749 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.794 -2.762 -7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.239 -1.040 -7.362 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.120 -0.019 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.853 0.897 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.732 1.921 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 100 9.724 3.411 -5.277 1.00 0.00 H new ATOM 1551 N HIS A 101 8.601 -3.636 -10.840 1.00 0.00 N ATOM 1552 CA HIS A 101 8.352 -4.939 -11.446 1.00 0.00 C ATOM 1553 C HIS A 101 9.658 -5.696 -11.664 1.00 0.00 C ATOM 1554 O HIS A 101 9.681 -6.927 -11.680 1.00 0.00 O ATOM 1555 CB HIS A 101 7.617 -4.774 -12.777 1.00 0.00 C ATOM 1556 CG HIS A 101 6.125 -4.794 -12.643 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.277 -5.017 -13.708 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.330 -4.621 -11.562 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.026 -4.977 -13.287 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.030 -4.738 -11.988 1.00 0.00 N ATOM 0 H HIS A 101 8.030 -2.880 -11.217 1.00 0.00 H new ATOM 0 HA HIS A 101 7.728 -5.516 -10.763 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.920 -3.833 -13.236 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.924 -5.572 -13.454 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.657 -4.427 -10.551 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.148 -5.116 -13.901 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.202 -4.654 -11.398 1.00 0.00 H new ATOM 1569 N THR A 102 10.747 -4.951 -11.833 1.00 0.00 N ATOM 1570 CA THR A 102 12.057 -5.551 -12.052 1.00 0.00 C ATOM 1571 C THR A 102 13.003 -5.241 -10.898 1.00 0.00 C ATOM 1572 O THR A 102 13.947 -5.988 -10.638 1.00 0.00 O ATOM 1573 CB THR A 102 12.689 -5.056 -13.366 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.918 -3.644 -13.298 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.789 -5.372 -14.552 1.00 0.00 C ATOM 0 H THR A 102 10.747 -3.931 -11.822 1.00 0.00 H new ATOM 0 HA THR A 102 11.905 -6.629 -12.114 1.00 0.00 H new ATOM 0 HB THR A 102 13.639 -5.572 -13.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.321 -3.337 -14.137 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.256 -5.013 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.640 -6.450 -14.619 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.826 -4.880 -14.419 1.00 0.00 H new ATOM 1583 N HIS A 103 12.745 -4.135 -10.207 1.00 0.00 N ATOM 1584 CA HIS A 103 13.574 -3.727 -9.079 1.00 0.00 C ATOM 1585 C HIS A 103 12.872 -4.017 -7.756 1.00 0.00 C ATOM 1586 O HIS A 103 12.094 -3.201 -7.261 1.00 0.00 O ATOM 1587 CB HIS A 103 13.908 -2.238 -9.176 1.00 0.00 C ATOM 1588 CG HIS A 103 15.154 -1.953 -9.957 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.106 -1.043 -9.548 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.602 -2.465 -11.127 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.085 -1.006 -10.435 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.804 -1.860 -11.402 1.00 0.00 N ATOM 0 H HIS A 103 11.968 -3.505 -10.409 1.00 0.00 H new ATOM 0 HA HIS A 103 14.499 -4.302 -9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.071 -1.716 -9.640 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.019 -1.833 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.107 -3.210 -11.732 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.965 -0.383 -10.378 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.385 -2.041 -12.220 1.00 0.00 H new ATOM 1601 N VAL A 104 13.152 -5.186 -7.187 1.00 0.00 N ATOM 1602 CA VAL A 104 12.548 -5.585 -5.921 1.00 0.00 C ATOM 1603 C VAL A 104 12.495 -4.415 -4.945 1.00 0.00 C ATOM 1604 O VAL A 104 13.397 -3.577 -4.913 1.00 0.00 O ATOM 1605 CB VAL A 104 13.323 -6.746 -5.271 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.823 -6.520 -5.388 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.912 -6.911 -3.816 1.00 0.00 C ATOM 0 H VAL A 104 13.793 -5.873 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 104 11.533 -5.915 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 104 13.077 -7.666 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.354 -7.351 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.100 -6.456 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.091 -5.591 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.469 -7.736 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.127 -5.992 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.844 -7.123 -3.761 1.00 0.00 H new ATOM 1617 N LEU A 105 11.432 -4.363 -4.151 1.00 0.00 N ATOM 1618 CA LEU A 105 11.260 -3.295 -3.172 1.00 0.00 C ATOM 1619 C LEU A 105 12.263 -3.435 -2.032 1.00 0.00 C ATOM 1620 O LEU A 105 12.774 -4.519 -1.751 1.00 0.00 O ATOM 1621 CB LEU A 105 9.834 -3.310 -2.616 1.00 0.00 C ATOM 1622 CG LEU A 105 8.722 -3.575 -3.631 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.434 -3.965 -2.922 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.499 -2.353 -4.510 1.00 0.00 C ATOM 0 H LEU A 105 10.676 -5.048 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 105 11.438 -2.344 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.777 -4.071 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.641 -2.349 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 105 9.028 -4.405 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.654 -4.150 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.601 -4.869 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.123 -3.156 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.704 -2.560 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.215 -1.504 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.418 -2.118 -5.046 1.00 0.00 H new ATOM 1636 N PRO A 106 12.552 -2.312 -1.356 1.00 0.00 N ATOM 1637 CA PRO A 106 13.494 -2.284 -0.234 1.00 0.00 C ATOM 1638 C PRO A 106 12.951 -3.002 0.997 1.00 0.00 C ATOM 1639 O PRO A 106 11.744 -3.201 1.129 1.00 0.00 O ATOM 1640 CB PRO A 106 13.664 -0.789 0.050 1.00 0.00 C ATOM 1641 CG PRO A 106 12.407 -0.164 -0.451 1.00 0.00 C ATOM 1642 CD PRO A 106 11.980 -0.984 -1.636 1.00 0.00 C ATOM 0 HA PRO A 106 14.427 -2.795 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.803 -0.601 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.538 -0.386 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.637 -0.163 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.574 0.875 -0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.895 -1.025 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.362 -0.571 -2.569 1.00 0.00 H new ATOM 1650 N SER A 107 13.851 -3.387 1.897 1.00 0.00 N ATOM 1651 CA SER A 107 13.461 -4.086 3.116 1.00 0.00 C ATOM 1652 C SER A 107 13.076 -5.531 2.815 1.00 0.00 C ATOM 1653 O SER A 107 12.311 -6.149 3.556 1.00 0.00 O ATOM 1654 CB SER A 107 12.293 -3.365 3.791 1.00 0.00 C ATOM 1655 OG SER A 107 12.140 -3.789 5.135 1.00 0.00 O ATOM 0 H SER A 107 14.854 -3.227 1.805 1.00 0.00 H new ATOM 0 HA SER A 107 14.316 -4.090 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.461 -2.288 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.374 -3.559 3.238 1.00 0.00 H new ATOM 0 HG SER A 107 12.083 -4.767 5.165 1.00 0.00 H new ATOM 1661 N HIS A 108 13.613 -6.064 1.722 1.00 0.00 N ATOM 1662 CA HIS A 108 13.326 -7.437 1.321 1.00 0.00 C ATOM 1663 C HIS A 108 14.433 -7.983 0.424 1.00 0.00 C ATOM 1664 O HIS A 108 15.447 -7.322 0.202 1.00 0.00 O ATOM 1665 CB HIS A 108 11.983 -7.509 0.595 1.00 0.00 C ATOM 1666 CG HIS A 108 11.206 -8.754 0.894 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.265 -9.885 0.109 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.350 -9.042 1.902 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.477 -10.815 0.619 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.910 -10.328 1.709 1.00 0.00 N ATOM 0 H HIS A 108 14.249 -5.567 1.099 1.00 0.00 H new ATOM 0 HA HIS A 108 13.276 -8.050 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.383 -6.641 0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.156 -7.448 -0.479 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.829 -9.988 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.066 -8.382 2.709 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.323 -11.804 0.214 1.00 0.00 H new ATOM 1679 N GLN A 109 14.231 -9.193 -0.087 1.00 0.00 N ATOM 1680 CA GLN A 109 15.213 -9.828 -0.958 1.00 0.00 C ATOM 1681 C GLN A 109 14.688 -9.930 -2.386 1.00 0.00 C ATOM 1682 O GLN A 109 15.309 -9.430 -3.323 1.00 0.00 O ATOM 1683 CB GLN A 109 15.569 -11.220 -0.432 1.00 0.00 C ATOM 1684 CG GLN A 109 14.363 -12.128 -0.250 1.00 0.00 C ATOM 1685 CD GLN A 109 14.648 -13.300 0.669 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.624 -14.027 0.482 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.796 -13.488 1.669 1.00 0.00 N ATOM 0 H GLN A 109 13.397 -9.753 0.087 1.00 0.00 H new ATOM 0 HA GLN A 109 16.110 -9.209 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.268 -11.692 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.084 -11.118 0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.534 -11.548 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.045 -12.503 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.000 -12.860 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.937 -14.260 2.321 1.00 0.00 H new ATOM 1696 N SER A 110 13.541 -10.583 -2.544 1.00 0.00 N ATOM 1697 CA SER A 110 12.935 -10.754 -3.860 1.00 0.00 C ATOM 1698 C SER A 110 11.438 -10.463 -3.810 1.00 0.00 C ATOM 1699 O SER A 110 10.621 -11.270 -4.256 1.00 0.00 O ATOM 1700 CB SER A 110 13.172 -12.176 -4.373 1.00 0.00 C ATOM 1701 OG SER A 110 14.544 -12.393 -4.655 1.00 0.00 O ATOM 0 H SER A 110 13.013 -11.002 -1.778 1.00 0.00 H new ATOM 0 HA SER A 110 13.403 -10.046 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.832 -12.896 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.581 -12.345 -5.273 1.00 0.00 H new ATOM 0 HG SER A 110 14.670 -13.309 -4.980 1.00 0.00 H new ATOM 1707 N LEU A 111 11.085 -9.305 -3.263 1.00 0.00 N ATOM 1708 CA LEU A 111 9.686 -8.905 -3.154 1.00 0.00 C ATOM 1709 C LEU A 111 9.305 -7.946 -4.277 1.00 0.00 C ATOM 1710 O LEU A 111 9.579 -6.747 -4.204 1.00 0.00 O ATOM 1711 CB LEU A 111 9.427 -8.249 -1.797 1.00 0.00 C ATOM 1712 CG LEU A 111 8.072 -7.561 -1.632 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.940 -8.541 -1.902 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.942 -6.966 -0.237 1.00 0.00 C ATOM 0 H LEU A 111 11.748 -8.627 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 111 9.070 -9.800 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.522 -9.011 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.210 -7.513 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 111 8.006 -6.751 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.983 -8.034 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.022 -8.920 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.003 -9.372 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.971 -6.480 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.029 -7.759 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.733 -6.232 -0.079 1.00 0.00 H new ATOM 1726 N LEU A 112 8.669 -8.480 -5.314 1.00 0.00 N ATOM 1727 CA LEU A 112 8.247 -7.671 -6.452 1.00 0.00 C ATOM 1728 C LEU A 112 6.726 -7.621 -6.551 1.00 0.00 C ATOM 1729 O LEU A 112 6.026 -8.421 -5.928 1.00 0.00 O ATOM 1730 CB LEU A 112 8.835 -8.233 -7.748 1.00 0.00 C ATOM 1731 CG LEU A 112 10.354 -8.404 -7.777 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.739 -9.614 -8.613 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.023 -7.147 -8.315 1.00 0.00 C ATOM 0 H LEU A 112 8.434 -9.470 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 112 8.616 -6.657 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.377 -9.203 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.548 -7.576 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 112 10.701 -8.567 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.824 -9.720 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.291 -10.510 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.379 -9.481 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.104 -7.287 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.670 -6.952 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.775 -6.300 -7.675 1.00 0.00 H new ATOM 1745 N LEU A 113 6.220 -6.678 -7.338 1.00 0.00 N ATOM 1746 CA LEU A 113 4.781 -6.525 -7.520 1.00 0.00 C ATOM 1747 C LEU A 113 4.292 -7.346 -8.709 1.00 0.00 C ATOM 1748 O LEU A 113 4.477 -6.957 -9.862 1.00 0.00 O ATOM 1749 CB LEU A 113 4.427 -5.051 -7.724 1.00 0.00 C ATOM 1750 CG LEU A 113 5.039 -4.069 -6.725 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.981 -2.649 -7.267 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.326 -4.159 -5.383 1.00 0.00 C ATOM 0 H LEU A 113 6.785 -6.008 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 113 4.285 -6.891 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.738 -4.759 -8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.342 -4.950 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 113 6.085 -4.337 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.421 -1.965 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.538 -2.594 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.943 -2.370 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.775 -3.453 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.271 -3.918 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.421 -5.170 -4.988 1.00 0.00 H new ATOM 1764 N ARG A 114 3.666 -8.482 -8.419 1.00 0.00 N ATOM 1765 CA ARG A 114 3.149 -9.358 -9.464 1.00 0.00 C ATOM 1766 C ARG A 114 1.722 -8.971 -9.841 1.00 0.00 C ATOM 1767 O ARG A 114 1.443 -8.628 -10.990 1.00 0.00 O ATOM 1768 CB ARG A 114 3.190 -10.816 -9.003 1.00 0.00 C ATOM 1769 CG ARG A 114 4.597 -11.346 -8.782 1.00 0.00 C ATOM 1770 CD ARG A 114 5.062 -11.115 -7.353 1.00 0.00 C ATOM 1771 NE ARG A 114 6.500 -11.319 -7.205 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.087 -12.507 -7.293 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.362 -13.592 -7.528 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.401 -12.612 -7.147 1.00 0.00 N ATOM 0 H ARG A 114 3.505 -8.817 -7.469 1.00 0.00 H new ATOM 0 HA ARG A 114 3.782 -9.245 -10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.625 -10.911 -8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.689 -11.437 -9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.625 -12.412 -9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.284 -10.857 -9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.807 -10.100 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.529 -11.792 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 114 7.086 -10.504 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.351 -13.515 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.815 -14.503 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.962 -11.780 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.850 -13.525 -7.215 1.00 0.00 H new ATOM 1788 N HIS A 115 0.821 -9.031 -8.865 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.578 -8.687 -9.093 1.00 0.00 C ATOM 1790 C HIS A 115 -1.106 -7.789 -7.979 1.00 0.00 C ATOM 1791 O HIS A 115 -0.823 -7.993 -6.798 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.427 -9.955 -9.189 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.703 -11.117 -9.794 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.594 -11.310 -11.156 1.00 0.00 N ATOM 1795 CD2 HIS A 115 -0.047 -12.151 -9.216 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.096 -12.412 -11.388 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.440 -12.941 -10.228 1.00 0.00 N ATOM 0 H HIS A 115 1.035 -9.315 -7.909 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.644 -8.142 -10.035 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.768 -10.230 -8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.316 -9.743 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.071 -12.322 -8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.338 -12.813 -12.361 1.00 0.00 H new ATOM 0 HE2 HIS A 115 0.980 -13.797 -10.104 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.891 -6.771 -8.361 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.475 -5.822 -7.408 1.00 0.00 C ATOM 1808 C PRO A 116 -3.556 -6.460 -6.542 1.00 0.00 C ATOM 1809 O PRO A 116 -3.906 -7.626 -6.728 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.080 -4.742 -8.310 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.352 -5.435 -9.600 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.271 -6.469 -9.751 1.00 0.00 C ATOM 0 HA PRO A 116 -1.734 -5.444 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.994 -4.333 -7.880 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.391 -3.908 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.338 -5.900 -9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.337 -4.731 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.633 -7.356 -10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.427 -6.087 -10.324 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.082 -5.689 -5.597 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.122 -6.180 -4.701 1.00 0.00 C ATOM 1822 C TYR A 117 -6.509 -5.887 -5.265 1.00 0.00 C ATOM 1823 O TYR A 117 -6.702 -4.919 -5.999 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.976 -5.542 -3.318 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.218 -5.659 -2.464 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.686 -6.899 -2.049 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.922 -4.528 -2.070 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.821 -7.010 -1.269 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -8.057 -4.629 -1.288 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.502 -5.872 -0.891 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.632 -5.979 -0.113 1.00 0.00 O ATOM 0 H TYR A 117 -3.805 -4.721 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 117 -5.007 -7.260 -4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.141 -6.011 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.725 -4.488 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.153 -7.792 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.576 -3.553 -2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.173 -7.982 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.592 -3.740 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.992 -5.085 0.066 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.474 -6.732 -4.914 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.832 -6.548 -5.392 1.00 0.00 C ATOM 1843 C GLY A 118 -9.004 -6.991 -6.831 1.00 0.00 C ATOM 1844 O GLY A 118 -9.971 -7.676 -7.166 1.00 0.00 O ATOM 0 H GLY A 118 -7.339 -7.541 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.517 -7.111 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.106 -5.497 -5.303 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.066 -6.598 -7.686 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.121 -6.956 -9.098 1.00 0.00 C ATOM 1850 C TYR A 119 -8.415 -8.443 -9.273 1.00 0.00 C ATOM 1851 O TYR A 119 -8.185 -9.245 -8.367 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.802 -6.601 -9.788 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.832 -6.794 -11.287 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.568 -5.943 -12.102 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.122 -7.826 -11.888 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.598 -6.116 -13.473 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.145 -8.006 -13.258 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.885 -7.149 -14.045 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.911 -7.324 -15.410 1.00 0.00 O ATOM 0 H TYR A 119 -7.259 -6.032 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.929 -6.388 -9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.555 -5.562 -9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.005 -7.214 -9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.126 -5.133 -11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.542 -8.499 -11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.176 -5.446 -14.093 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.587 -8.813 -13.709 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.356 -8.095 -15.652 1.00 0.00 H new