USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 38 HIS : no HD1:sc= 0 X(o=-0.38,f=-0.41) USER MOD Set 1.2: A 80 SER OG : rot 110:sc= -0.382 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 MET CE :methyl -120:sc= -0.797 (180deg=-1.79) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 25 ASN : amide:sc= 1.17 K(o=1.2,f=-0.028) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.394 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= 1.13 (180deg=0.372) USER MOD Single : A 43 THR OG1 : rot -50:sc= 1.03 USER MOD Single : A 44 GLN : amide:sc= 0.00103 X(o=0.001,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -22:sc= -0.764 USER MOD Single : A 56 SER OG : rot 180:sc= -0.899 USER MOD Single : A 57 GLN : amide:sc= 0.173 K(o=0.17,f=-2.4!) USER MOD Single : A 62 SER OG : rot 38:sc= 0.239 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 0.0439 (180deg=0.0027) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -137:sc= -0.588 (180deg=-1.51) USER MOD Single : A 68 TYR OH : rot -50:sc= -1.15 USER MOD Single : A 71 GLN : amide:sc= -0.941 K(o=-0.94,f=-4.1!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.764 USER MOD Single : A 85 ASN : amide:sc=-0.000406 K(o=-0.00041,f=-1.4) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 130:sc= -0.0875 USER MOD Single : A 94 ASN : amide:sc= -0.801 K(o=-0.8,f=-3.3!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.391 4.273 8.618 1.00 0.00 N ATOM 149 CA ALA A 13 -7.026 4.595 9.016 1.00 0.00 C ATOM 150 C ALA A 13 -6.775 6.098 8.945 1.00 0.00 C ATOM 151 O ALA A 13 -7.094 6.745 7.949 1.00 0.00 O ATOM 152 CB ALA A 13 -6.031 3.851 8.138 1.00 0.00 C ATOM 0 HA ALA A 13 -6.890 4.278 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.016 4.101 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.187 2.777 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.176 4.141 7.097 1.00 0.00 H new ATOM 158 N ASN A 14 -6.200 6.647 10.011 1.00 0.00 N ATOM 159 CA ASN A 14 -5.906 8.074 10.070 1.00 0.00 C ATOM 160 C ASN A 14 -4.507 8.364 9.535 1.00 0.00 C ATOM 161 O ASN A 14 -4.262 9.417 8.948 1.00 0.00 O ATOM 162 CB ASN A 14 -6.029 8.583 11.508 1.00 0.00 C ATOM 163 CG ASN A 14 -7.460 8.921 11.879 1.00 0.00 C ATOM 164 OD1 ASN A 14 -8.391 8.190 11.541 1.00 0.00 O ATOM 165 ND2 ASN A 14 -7.641 10.034 12.580 1.00 0.00 N ATOM 0 H ASN A 14 -5.929 6.125 10.845 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.631 8.594 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.648 7.826 12.193 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.405 9.468 11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.581 10.313 12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.840 10.610 12.838 1.00 0.00 H new ATOM 172 N SER A 15 -3.592 7.422 9.741 1.00 0.00 N ATOM 173 CA SER A 15 -2.218 7.577 9.280 1.00 0.00 C ATOM 174 C SER A 15 -1.953 6.701 8.057 1.00 0.00 C ATOM 175 O SER A 15 -2.493 5.602 7.942 1.00 0.00 O ATOM 176 CB SER A 15 -1.237 7.220 10.398 1.00 0.00 C ATOM 177 OG SER A 15 -1.198 8.236 11.386 1.00 0.00 O ATOM 0 H SER A 15 -3.778 6.543 10.224 1.00 0.00 H new ATOM 0 HA SER A 15 -2.072 8.620 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.530 6.275 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.241 7.077 9.980 1.00 0.00 H new ATOM 0 HG SER A 15 -0.565 7.983 12.090 1.00 0.00 H new ATOM 183 N PRO A 16 -1.111 7.179 7.123 1.00 0.00 N ATOM 184 CA PRO A 16 -0.778 6.433 5.906 1.00 0.00 C ATOM 185 C PRO A 16 0.159 5.262 6.183 1.00 0.00 C ATOM 186 O PRO A 16 0.047 4.204 5.563 1.00 0.00 O ATOM 187 CB PRO A 16 -0.084 7.478 5.033 1.00 0.00 C ATOM 188 CG PRO A 16 0.517 8.437 6.002 1.00 0.00 C ATOM 189 CD PRO A 16 -0.420 8.482 7.178 1.00 0.00 C ATOM 0 HA PRO A 16 -1.659 5.988 5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.678 7.023 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.793 7.975 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.511 8.111 6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.629 9.425 5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.120 8.610 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.122 9.312 7.099 1.00 0.00 H new ATOM 197 N GLN A 17 1.084 5.459 7.117 1.00 0.00 N ATOM 198 CA GLN A 17 2.042 4.420 7.476 1.00 0.00 C ATOM 199 C GLN A 17 1.330 3.187 8.024 1.00 0.00 C ATOM 200 O GLN A 17 1.772 2.058 7.813 1.00 0.00 O ATOM 201 CB GLN A 17 3.036 4.950 8.511 1.00 0.00 C ATOM 202 CG GLN A 17 3.981 6.007 7.960 1.00 0.00 C ATOM 203 CD GLN A 17 4.135 7.193 8.892 1.00 0.00 C ATOM 204 OE1 GLN A 17 3.457 8.210 8.739 1.00 0.00 O ATOM 205 NE2 GLN A 17 5.030 7.070 9.865 1.00 0.00 N ATOM 0 H GLN A 17 1.190 6.329 7.639 1.00 0.00 H new ATOM 0 HA GLN A 17 2.583 4.134 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.484 5.371 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.622 4.117 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.959 5.559 7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.610 6.353 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.570 6.210 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.177 7.836 10.522 1.00 0.00 H new ATOM 214 N GLU A 18 0.225 3.412 8.728 1.00 0.00 N ATOM 215 CA GLU A 18 -0.548 2.319 9.305 1.00 0.00 C ATOM 216 C GLU A 18 -1.438 1.665 8.253 1.00 0.00 C ATOM 217 O GLU A 18 -1.707 0.465 8.311 1.00 0.00 O ATOM 218 CB GLU A 18 -1.400 2.830 10.470 1.00 0.00 C ATOM 219 CG GLU A 18 -1.023 2.221 11.812 1.00 0.00 C ATOM 220 CD GLU A 18 -0.530 3.254 12.806 1.00 0.00 C ATOM 221 OE1 GLU A 18 0.020 4.286 12.365 1.00 0.00 O ATOM 222 OE2 GLU A 18 -0.693 3.032 14.023 1.00 0.00 O ATOM 0 H GLU A 18 -0.155 4.341 8.912 1.00 0.00 H new ATOM 0 HA GLU A 18 0.150 1.569 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.303 3.914 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.449 2.615 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.889 1.706 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.248 1.470 11.660 1.00 0.00 H new ATOM 229 N ALA A 19 -1.892 2.461 7.290 1.00 0.00 N ATOM 230 CA ALA A 19 -2.751 1.960 6.225 1.00 0.00 C ATOM 231 C ALA A 19 -1.977 1.057 5.273 1.00 0.00 C ATOM 232 O ALA A 19 -2.465 0.002 4.867 1.00 0.00 O ATOM 233 CB ALA A 19 -3.378 3.119 5.464 1.00 0.00 C ATOM 0 H ALA A 19 -1.679 3.456 7.226 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.544 1.367 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.017 2.730 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.974 3.723 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.592 3.735 5.027 1.00 0.00 H new ATOM 239 N LEU A 20 -0.767 1.477 4.919 1.00 0.00 N ATOM 240 CA LEU A 20 0.076 0.705 4.013 1.00 0.00 C ATOM 241 C LEU A 20 0.522 -0.600 4.665 1.00 0.00 C ATOM 242 O LEU A 20 0.461 -1.664 4.049 1.00 0.00 O ATOM 243 CB LEU A 20 1.298 1.526 3.597 1.00 0.00 C ATOM 244 CG LEU A 20 2.146 0.908 2.484 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.474 1.100 1.133 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.540 1.515 2.478 1.00 0.00 C ATOM 0 H LEU A 20 -0.348 2.348 5.246 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.510 0.465 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.962 2.511 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.930 1.678 4.472 1.00 0.00 H new ATOM 0 HG LEU A 20 2.237 -0.162 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.091 0.654 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.496 0.619 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.352 2.165 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.130 1.064 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.468 2.590 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.023 1.327 3.437 1.00 0.00 H new ATOM 258 N LEU A 21 0.971 -0.510 5.913 1.00 0.00 N ATOM 259 CA LEU A 21 1.427 -1.685 6.647 1.00 0.00 C ATOM 260 C LEU A 21 0.298 -2.696 6.811 1.00 0.00 C ATOM 261 O LEU A 21 0.482 -3.891 6.578 1.00 0.00 O ATOM 262 CB LEU A 21 1.966 -1.276 8.020 1.00 0.00 C ATOM 263 CG LEU A 21 2.425 -2.435 8.906 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.574 -3.185 8.251 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.834 -1.923 10.280 1.00 0.00 C ATOM 0 H LEU A 21 1.029 0.363 6.437 1.00 0.00 H new ATOM 0 HA LEU A 21 2.228 -2.153 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.804 -0.594 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.190 -0.720 8.547 1.00 0.00 H new ATOM 0 HG LEU A 21 1.592 -3.126 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.887 -4.006 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.248 -3.583 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.412 -2.505 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.158 -2.760 10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.653 -1.212 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.984 -1.430 10.752 1.00 0.00 H new ATOM 277 N TRP A 22 -0.872 -2.209 7.214 1.00 0.00 N ATOM 278 CA TRP A 22 -2.032 -3.070 7.409 1.00 0.00 C ATOM 279 C TRP A 22 -2.500 -3.665 6.084 1.00 0.00 C ATOM 280 O TRP A 22 -3.036 -4.772 6.044 1.00 0.00 O ATOM 281 CB TRP A 22 -3.173 -2.286 8.059 1.00 0.00 C ATOM 282 CG TRP A 22 -4.312 -3.151 8.502 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.479 -3.721 9.731 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.443 -3.548 7.719 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.645 -4.446 9.761 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.255 -4.355 8.538 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.850 -3.297 6.405 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.448 -4.914 8.085 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.034 -3.852 5.957 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.821 -4.652 6.795 1.00 0.00 C ATOM 0 H TRP A 22 -1.041 -1.223 7.412 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.738 -3.886 8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.785 -1.740 8.919 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.544 -1.544 7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.794 -3.617 10.559 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.999 -4.967 10.563 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.250 -2.681 5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.056 -5.532 8.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.358 -3.666 4.944 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.741 -5.071 6.415 1.00 0.00 H new ATOM 301 N ALA A 23 -2.292 -2.922 5.001 1.00 0.00 N ATOM 302 CA ALA A 23 -2.692 -3.376 3.675 1.00 0.00 C ATOM 303 C ALA A 23 -1.745 -4.450 3.153 1.00 0.00 C ATOM 304 O ALA A 23 -2.149 -5.335 2.399 1.00 0.00 O ATOM 305 CB ALA A 23 -2.745 -2.201 2.711 1.00 0.00 C ATOM 0 H ALA A 23 -1.849 -2.003 5.017 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.687 -3.814 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.045 -2.553 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.468 -1.468 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.760 -1.738 2.647 1.00 0.00 H new ATOM 311 N LEU A 24 -0.482 -4.366 3.557 1.00 0.00 N ATOM 312 CA LEU A 24 0.524 -5.331 3.128 1.00 0.00 C ATOM 313 C LEU A 24 0.393 -6.636 3.908 1.00 0.00 C ATOM 314 O LEU A 24 0.695 -7.711 3.391 1.00 0.00 O ATOM 315 CB LEU A 24 1.928 -4.752 3.312 1.00 0.00 C ATOM 316 CG LEU A 24 2.276 -3.590 2.381 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.587 -2.944 2.801 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.353 -4.069 0.939 1.00 0.00 C ATOM 0 H LEU A 24 -0.131 -3.640 4.181 1.00 0.00 H new ATOM 0 HA LEU A 24 0.362 -5.542 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.033 -4.415 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.656 -5.549 3.161 1.00 0.00 H new ATOM 0 HG LEU A 24 1.487 -2.841 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.818 -2.119 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.497 -2.566 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.387 -3.683 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.602 -3.230 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.122 -4.836 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.390 -4.485 0.642 1.00 0.00 H new ATOM 330 N ASN A 25 -0.058 -6.533 5.154 1.00 0.00 N ATOM 331 CA ASN A 25 -0.228 -7.707 6.004 1.00 0.00 C ATOM 332 C ASN A 25 -1.418 -8.542 5.545 1.00 0.00 C ATOM 333 O ASN A 25 -1.391 -9.771 5.617 1.00 0.00 O ATOM 334 CB ASN A 25 -0.420 -7.282 7.461 1.00 0.00 C ATOM 335 CG ASN A 25 0.898 -7.112 8.191 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.467 -8.076 8.703 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.391 -5.880 8.243 1.00 0.00 N ATOM 0 H ASN A 25 -0.312 -5.650 5.597 1.00 0.00 H new ATOM 0 HA ASN A 25 0.672 -8.316 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.974 -6.344 7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.025 -8.027 7.977 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.275 -5.704 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.886 -5.110 7.805 1.00 0.00 H new ATOM 344 N ASP A 26 -2.462 -7.869 5.073 1.00 0.00 N ATOM 345 CA ASP A 26 -3.663 -8.550 4.602 1.00 0.00 C ATOM 346 C ASP A 26 -3.357 -9.418 3.385 1.00 0.00 C ATOM 347 O ASP A 26 -4.026 -10.422 3.143 1.00 0.00 O ATOM 348 CB ASP A 26 -4.750 -7.531 4.255 1.00 0.00 C ATOM 349 CG ASP A 26 -6.146 -8.071 4.495 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.367 -9.276 4.252 1.00 0.00 O ATOM 351 OD2 ASP A 26 -7.019 -7.289 4.928 1.00 0.00 O ATOM 0 H ASP A 26 -2.501 -6.852 5.006 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.021 -9.195 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.604 -6.631 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.651 -7.240 3.209 1.00 0.00 H new ATOM 356 N LEU A 27 -2.342 -9.024 2.622 1.00 0.00 N ATOM 357 CA LEU A 27 -1.949 -9.768 1.429 1.00 0.00 C ATOM 358 C LEU A 27 -1.619 -11.218 1.772 1.00 0.00 C ATOM 359 O LEU A 27 -0.974 -11.496 2.782 1.00 0.00 O ATOM 360 CB LEU A 27 -0.741 -9.103 0.765 1.00 0.00 C ATOM 361 CG LEU A 27 -1.078 -7.956 -0.191 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.186 -7.223 -0.611 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.821 -8.482 -1.411 1.00 0.00 C ATOM 0 H LEU A 27 -1.777 -8.195 2.808 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.789 -9.761 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.080 -8.724 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.184 -9.862 0.216 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.726 -7.251 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.073 -6.411 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.680 -6.815 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.859 -7.917 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.053 -7.654 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.196 -9.207 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.747 -8.963 -1.094 1.00 0.00 H new ATOM 375 N GLU A 28 -2.066 -12.137 0.922 1.00 0.00 N ATOM 376 CA GLU A 28 -1.820 -13.557 1.134 1.00 0.00 C ATOM 377 C GLU A 28 -0.356 -13.900 0.877 1.00 0.00 C ATOM 378 O GLU A 28 0.441 -13.032 0.522 1.00 0.00 O ATOM 379 CB GLU A 28 -2.719 -14.394 0.222 1.00 0.00 C ATOM 380 CG GLU A 28 -4.060 -14.744 0.845 1.00 0.00 C ATOM 381 CD GLU A 28 -4.107 -16.167 1.367 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.095 -17.103 0.541 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.154 -16.345 2.603 1.00 0.00 O ATOM 0 H GLU A 28 -2.600 -11.923 0.080 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.052 -13.789 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.890 -13.848 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.199 -15.315 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.268 -14.054 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.848 -14.607 0.104 1.00 0.00 H new ATOM 390 N GLU A 29 -0.010 -15.170 1.059 1.00 0.00 N ATOM 391 CA GLU A 29 1.358 -15.628 0.847 1.00 0.00 C ATOM 392 C GLU A 29 1.668 -15.745 -0.642 1.00 0.00 C ATOM 393 O GLU A 29 2.807 -15.549 -1.066 1.00 0.00 O ATOM 394 CB GLU A 29 1.579 -16.977 1.533 1.00 0.00 C ATOM 395 CG GLU A 29 3.044 -17.312 1.758 1.00 0.00 C ATOM 396 CD GLU A 29 3.244 -18.707 2.318 1.00 0.00 C ATOM 397 OE1 GLU A 29 3.144 -18.872 3.552 1.00 0.00 O ATOM 398 OE2 GLU A 29 3.499 -19.635 1.522 1.00 0.00 O ATOM 0 H GLU A 29 -0.658 -15.901 1.353 1.00 0.00 H new ATOM 0 HA GLU A 29 2.033 -14.892 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.064 -16.976 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.124 -17.762 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.582 -17.223 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.478 -16.584 2.443 1.00 0.00 H new ATOM 405 N ASN A 30 0.647 -16.068 -1.430 1.00 0.00 N ATOM 406 CA ASN A 30 0.810 -16.211 -2.873 1.00 0.00 C ATOM 407 C ASN A 30 0.933 -14.847 -3.545 1.00 0.00 C ATOM 408 O ASN A 30 1.673 -14.688 -4.516 1.00 0.00 O ATOM 409 CB ASN A 30 -0.370 -16.981 -3.467 1.00 0.00 C ATOM 410 CG ASN A 30 -0.624 -18.293 -2.750 1.00 0.00 C ATOM 411 OD1 ASN A 30 0.312 -18.989 -2.355 1.00 0.00 O ATOM 412 ND2 ASN A 30 -1.895 -18.638 -2.578 1.00 0.00 N ATOM 0 H ASN A 30 -0.301 -16.236 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 30 1.728 -16.770 -3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.266 -16.363 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.178 -17.178 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.127 -19.510 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.639 -18.031 -2.922 1.00 0.00 H new ATOM 419 N SER A 31 0.203 -13.868 -3.024 1.00 0.00 N ATOM 420 CA SER A 31 0.229 -12.518 -3.574 1.00 0.00 C ATOM 421 C SER A 31 1.495 -11.781 -3.147 1.00 0.00 C ATOM 422 O SER A 31 2.076 -11.023 -3.924 1.00 0.00 O ATOM 423 CB SER A 31 -1.006 -11.737 -3.124 1.00 0.00 C ATOM 424 OG SER A 31 -2.129 -12.049 -3.930 1.00 0.00 O ATOM 0 H SER A 31 -0.415 -13.984 -2.221 1.00 0.00 H new ATOM 0 HA SER A 31 0.224 -12.596 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.227 -11.969 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.803 -10.667 -3.177 1.00 0.00 H new ATOM 0 HG SER A 31 -2.906 -11.538 -3.621 1.00 0.00 H new ATOM 430 N PHE A 32 1.916 -12.008 -1.907 1.00 0.00 N ATOM 431 CA PHE A 32 3.113 -11.366 -1.376 1.00 0.00 C ATOM 432 C PHE A 32 4.368 -11.908 -2.053 1.00 0.00 C ATOM 433 O PHE A 32 5.355 -11.192 -2.219 1.00 0.00 O ATOM 434 CB PHE A 32 3.203 -11.576 0.136 1.00 0.00 C ATOM 435 CG PHE A 32 3.966 -10.496 0.849 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.657 -9.161 0.642 1.00 0.00 C ATOM 437 CD2 PHE A 32 4.991 -10.817 1.724 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.357 -8.166 1.297 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.695 -9.824 2.381 1.00 0.00 C ATOM 440 CZ PHE A 32 5.377 -8.498 2.167 1.00 0.00 C ATOM 0 H PHE A 32 1.446 -12.632 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 32 3.043 -10.298 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.195 -11.629 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.679 -12.536 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.861 -8.896 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.243 -11.853 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.107 -7.129 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.492 -10.086 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.925 -7.721 2.679 1.00 0.00 H new ATOM 450 N LYS A 33 4.322 -13.179 -2.443 1.00 0.00 N ATOM 451 CA LYS A 33 5.455 -13.817 -3.101 1.00 0.00 C ATOM 452 C LYS A 33 5.654 -13.257 -4.507 1.00 0.00 C ATOM 453 O LYS A 33 6.752 -12.837 -4.868 1.00 0.00 O ATOM 454 CB LYS A 33 5.247 -15.332 -3.166 1.00 0.00 C ATOM 455 CG LYS A 33 5.892 -16.084 -2.013 1.00 0.00 C ATOM 456 CD LYS A 33 6.132 -17.543 -2.363 1.00 0.00 C ATOM 457 CE LYS A 33 7.471 -18.031 -1.835 1.00 0.00 C ATOM 458 NZ LYS A 33 8.516 -18.046 -2.895 1.00 0.00 N ATOM 0 H LYS A 33 3.512 -13.786 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 33 6.350 -13.605 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.178 -15.544 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.653 -15.706 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.839 -15.611 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.252 -16.021 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.331 -18.154 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.099 -17.669 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.794 -17.388 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.355 -19.035 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.413 -18.385 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.220 -18.679 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.645 -17.084 -3.268 1.00 0.00 H new ATOM 472 N THR A 34 4.583 -13.256 -5.294 1.00 0.00 N ATOM 473 CA THR A 34 4.640 -12.748 -6.659 1.00 0.00 C ATOM 474 C THR A 34 4.969 -11.259 -6.674 1.00 0.00 C ATOM 475 O THR A 34 5.676 -10.777 -7.559 1.00 0.00 O ATOM 476 CB THR A 34 3.309 -12.994 -7.373 1.00 0.00 C ATOM 477 OG1 THR A 34 2.922 -14.352 -7.258 1.00 0.00 O ATOM 478 CG2 THR A 34 3.346 -12.650 -8.845 1.00 0.00 C ATOM 0 H THR A 34 3.666 -13.601 -5.010 1.00 0.00 H new ATOM 0 HA THR A 34 5.432 -13.282 -7.185 1.00 0.00 H new ATOM 0 HB THR A 34 2.592 -12.336 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.513 -14.502 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.371 -12.848 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.593 -11.595 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.102 -13.258 -9.342 1.00 0.00 H new ATOM 486 N LEU A 35 4.451 -10.534 -5.687 1.00 0.00 N ATOM 487 CA LEU A 35 4.690 -9.099 -5.586 1.00 0.00 C ATOM 488 C LEU A 35 6.147 -8.812 -5.245 1.00 0.00 C ATOM 489 O LEU A 35 6.691 -7.773 -5.624 1.00 0.00 O ATOM 490 CB LEU A 35 3.775 -8.483 -4.526 1.00 0.00 C ATOM 491 CG LEU A 35 3.968 -6.982 -4.299 1.00 0.00 C ATOM 492 CD1 LEU A 35 3.276 -6.183 -5.393 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.442 -6.579 -2.930 1.00 0.00 C ATOM 0 H LEU A 35 3.863 -10.917 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 35 4.468 -8.650 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.739 -8.661 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.937 -9.002 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 35 5.035 -6.763 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.424 -5.118 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.698 -6.451 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.209 -6.407 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.587 -5.508 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.379 -6.813 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.982 -7.126 -2.157 1.00 0.00 H new ATOM 505 N LYS A 36 6.777 -9.736 -4.526 1.00 0.00 N ATOM 506 CA LYS A 36 8.173 -9.581 -4.133 1.00 0.00 C ATOM 507 C LYS A 36 9.069 -9.410 -5.357 1.00 0.00 C ATOM 508 O LYS A 36 9.863 -8.472 -5.430 1.00 0.00 O ATOM 509 CB LYS A 36 8.630 -10.790 -3.314 1.00 0.00 C ATOM 510 CG LYS A 36 9.457 -10.420 -2.092 1.00 0.00 C ATOM 511 CD LYS A 36 8.576 -10.164 -0.880 1.00 0.00 C ATOM 512 CE LYS A 36 8.556 -11.361 0.057 1.00 0.00 C ATOM 513 NZ LYS A 36 7.325 -12.181 -0.115 1.00 0.00 N ATOM 0 H LYS A 36 6.342 -10.601 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 36 8.255 -8.684 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.754 -11.353 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.216 -11.451 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.159 -11.224 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.049 -9.530 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.939 -9.287 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.561 -9.940 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.434 -11.981 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.621 -11.015 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.564 -13.189 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.631 -11.923 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.919 -12.004 -1.056 1.00 0.00 H new ATOM 527 N PHE A 37 8.935 -10.322 -6.314 1.00 0.00 N ATOM 528 CA PHE A 37 9.732 -10.270 -7.535 1.00 0.00 C ATOM 529 C PHE A 37 9.348 -9.063 -8.385 1.00 0.00 C ATOM 530 O PHE A 37 10.181 -8.501 -9.096 1.00 0.00 O ATOM 531 CB PHE A 37 9.551 -11.560 -8.342 1.00 0.00 C ATOM 532 CG PHE A 37 10.836 -12.299 -8.588 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.786 -11.791 -9.459 1.00 0.00 C ATOM 534 CD2 PHE A 37 11.092 -13.500 -7.948 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.969 -12.468 -9.687 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.272 -14.183 -8.172 1.00 0.00 C ATOM 537 CZ PHE A 37 13.212 -13.666 -9.043 1.00 0.00 C ATOM 0 H PHE A 37 8.283 -11.105 -6.268 1.00 0.00 H new ATOM 0 HA PHE A 37 10.780 -10.171 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.860 -12.216 -7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.091 -11.318 -9.300 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.600 -10.855 -9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.361 -13.908 -7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.702 -12.061 -10.368 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.459 -15.119 -7.667 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.135 -14.198 -9.220 1.00 0.00 H new ATOM 547 N HIS A 38 8.081 -8.669 -8.305 1.00 0.00 N ATOM 548 CA HIS A 38 7.585 -7.528 -9.066 1.00 0.00 C ATOM 549 C HIS A 38 8.259 -6.234 -8.615 1.00 0.00 C ATOM 550 O HIS A 38 8.361 -5.277 -9.382 1.00 0.00 O ATOM 551 CB HIS A 38 6.067 -7.409 -8.913 1.00 0.00 C ATOM 552 CG HIS A 38 5.351 -7.185 -10.209 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.739 -6.259 -11.151 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.249 -7.794 -10.715 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.879 -6.330 -12.176 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.956 -7.248 -11.961 1.00 0.00 N ATOM 0 H HIS A 38 7.379 -9.123 -7.721 1.00 0.00 H new ATOM 0 HA HIS A 38 7.826 -7.691 -10.116 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.684 -8.318 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.842 -6.585 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.688 -8.578 -10.228 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.934 -5.716 -13.063 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.187 -7.504 -12.580 1.00 0.00 H new ATOM 564 N LEU A 39 8.716 -6.211 -7.366 1.00 0.00 N ATOM 565 CA LEU A 39 9.379 -5.033 -6.814 1.00 0.00 C ATOM 566 C LEU A 39 10.565 -4.615 -7.678 1.00 0.00 C ATOM 567 O LEU A 39 10.726 -3.439 -8.000 1.00 0.00 O ATOM 568 CB LEU A 39 9.848 -5.312 -5.384 1.00 0.00 C ATOM 569 CG LEU A 39 8.727 -5.518 -4.364 1.00 0.00 C ATOM 570 CD1 LEU A 39 9.235 -6.298 -3.162 1.00 0.00 C ATOM 571 CD2 LEU A 39 8.152 -4.178 -3.930 1.00 0.00 C ATOM 0 H LEU A 39 8.639 -6.994 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 39 8.659 -4.215 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.479 -6.200 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.471 -4.481 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 39 7.933 -6.097 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.423 -6.435 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.599 -7.272 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.047 -5.747 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.355 -4.342 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.938 -3.575 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.750 -3.656 -4.798 1.00 0.00 H new ATOM 583 N ARG A 40 11.391 -5.587 -8.051 1.00 0.00 N ATOM 584 CA ARG A 40 12.563 -5.320 -8.878 1.00 0.00 C ATOM 585 C ARG A 40 12.165 -4.650 -10.190 1.00 0.00 C ATOM 586 O ARG A 40 12.938 -3.885 -10.766 1.00 0.00 O ATOM 587 CB ARG A 40 13.317 -6.620 -9.163 1.00 0.00 C ATOM 588 CG ARG A 40 14.829 -6.458 -9.164 1.00 0.00 C ATOM 589 CD ARG A 40 15.512 -7.618 -9.871 1.00 0.00 C ATOM 590 NE ARG A 40 15.663 -7.374 -11.304 1.00 0.00 N ATOM 591 CZ ARG A 40 16.511 -8.040 -12.084 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.286 -8.990 -11.575 1.00 0.00 N ATOM 593 NH2 ARG A 40 16.584 -7.755 -13.377 1.00 0.00 N ATOM 0 H ARG A 40 11.271 -6.567 -7.794 1.00 0.00 H new ATOM 0 HA ARG A 40 13.216 -4.641 -8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.040 -7.363 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.001 -7.009 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.096 -5.523 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.190 -6.392 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.493 -7.786 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.932 -8.528 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 40 15.084 -6.651 -11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.233 -9.213 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.934 -9.497 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.991 -7.026 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.234 -8.265 -13.976 1.00 0.00 H new ATOM 607 N ASP A 41 10.956 -4.944 -10.657 1.00 0.00 N ATOM 608 CA ASP A 41 10.458 -4.370 -11.901 1.00 0.00 C ATOM 609 C ASP A 41 9.928 -2.957 -11.676 1.00 0.00 C ATOM 610 O ASP A 41 10.458 -1.991 -12.223 1.00 0.00 O ATOM 611 CB ASP A 41 9.354 -5.253 -12.488 1.00 0.00 C ATOM 612 CG ASP A 41 9.412 -5.320 -14.002 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.974 -4.389 -14.616 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.893 -6.302 -14.573 1.00 0.00 O ATOM 0 H ASP A 41 10.304 -5.576 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 41 11.288 -4.319 -12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.441 -6.259 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.382 -4.867 -12.181 1.00 0.00 H new ATOM 619 N VAL A 42 8.879 -2.846 -10.867 1.00 0.00 N ATOM 620 CA VAL A 42 8.278 -1.551 -10.570 1.00 0.00 C ATOM 621 C VAL A 42 9.288 -0.609 -9.925 1.00 0.00 C ATOM 622 O VAL A 42 9.379 0.563 -10.289 1.00 0.00 O ATOM 623 CB VAL A 42 7.062 -1.697 -9.637 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.934 -2.437 -10.340 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.456 -2.408 -8.351 1.00 0.00 C ATOM 0 H VAL A 42 8.428 -3.636 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 42 7.950 -1.131 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 42 6.705 -0.700 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.084 -2.530 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.633 -1.882 -11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.276 -3.430 -10.632 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.583 -2.502 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.841 -3.400 -8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.227 -1.832 -7.838 1.00 0.00 H new ATOM 635 N THR A 43 10.045 -1.129 -8.964 1.00 0.00 N ATOM 636 CA THR A 43 11.049 -0.333 -8.267 1.00 0.00 C ATOM 637 C THR A 43 12.455 -0.840 -8.573 1.00 0.00 C ATOM 638 O THR A 43 12.686 -2.046 -8.651 1.00 0.00 O ATOM 639 CB THR A 43 10.800 -0.366 -6.759 1.00 0.00 C ATOM 640 OG1 THR A 43 10.945 -1.682 -6.255 1.00 0.00 O ATOM 641 CG2 THR A 43 9.420 0.125 -6.370 1.00 0.00 C ATOM 0 H THR A 43 9.982 -2.098 -8.650 1.00 0.00 H new ATOM 0 HA THR A 43 10.969 0.695 -8.619 1.00 0.00 H new ATOM 0 HB THR A 43 11.543 0.306 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.411 -2.300 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.308 0.076 -5.287 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.294 1.156 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.664 -0.503 -6.842 1.00 0.00 H new ATOM 649 N GLN A 44 13.389 0.089 -8.746 1.00 0.00 N ATOM 650 CA GLN A 44 14.772 -0.263 -9.044 1.00 0.00 C ATOM 651 C GLN A 44 15.738 0.722 -8.394 1.00 0.00 C ATOM 652 O GLN A 44 16.746 1.102 -8.989 1.00 0.00 O ATOM 653 CB GLN A 44 14.997 -0.295 -10.557 1.00 0.00 C ATOM 654 CG GLN A 44 16.187 -1.141 -10.979 1.00 0.00 C ATOM 655 CD GLN A 44 16.131 -1.538 -12.441 1.00 0.00 C ATOM 656 OE1 GLN A 44 16.816 -0.955 -13.281 1.00 0.00 O ATOM 657 NE2 GLN A 44 15.312 -2.536 -12.752 1.00 0.00 N ATOM 0 H GLN A 44 13.213 1.092 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 44 14.964 -1.254 -8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.099 -0.679 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.141 0.724 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.107 -0.587 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.226 -2.040 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.763 -2.991 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.232 -2.848 -13.720 1.00 0.00 H new ATOM 666 N PHE A 45 15.423 1.131 -7.169 1.00 0.00 N ATOM 667 CA PHE A 45 16.264 2.073 -6.439 1.00 0.00 C ATOM 668 C PHE A 45 17.593 1.431 -6.056 1.00 0.00 C ATOM 669 O PHE A 45 18.656 1.882 -6.482 1.00 0.00 O ATOM 670 CB PHE A 45 15.541 2.566 -5.184 1.00 0.00 C ATOM 671 CG PHE A 45 16.167 3.787 -4.571 1.00 0.00 C ATOM 672 CD1 PHE A 45 15.804 5.055 -4.997 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.119 3.666 -3.572 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.379 6.180 -4.436 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.697 4.786 -3.008 1.00 0.00 C ATOM 676 CZ PHE A 45 17.326 6.045 -3.440 1.00 0.00 C ATOM 0 H PHE A 45 14.593 0.825 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 45 16.467 2.923 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.504 2.787 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.526 1.765 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.064 5.165 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.412 2.684 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.088 7.163 -4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.438 4.678 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.776 6.922 -2.999 1.00 0.00 H new ATOM 686 N HIS A 46 17.525 0.379 -5.246 1.00 0.00 N ATOM 687 CA HIS A 46 18.724 -0.324 -4.806 1.00 0.00 C ATOM 688 C HIS A 46 18.407 -1.775 -4.456 1.00 0.00 C ATOM 689 O HIS A 46 19.032 -2.361 -3.572 1.00 0.00 O ATOM 690 CB HIS A 46 19.339 0.384 -3.596 1.00 0.00 C ATOM 691 CG HIS A 46 20.828 0.523 -3.678 1.00 0.00 C ATOM 692 ND1 HIS A 46 21.691 -0.538 -3.837 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.606 1.634 -3.619 1.00 0.00 C ATOM 694 CE1 HIS A 46 22.939 -0.051 -3.868 1.00 0.00 C ATOM 695 NE2 HIS A 46 22.942 1.262 -3.740 1.00 0.00 N ATOM 0 H HIS A 46 16.653 -0.005 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 46 19.442 -0.317 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 46 18.894 1.375 -3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.083 -0.169 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 46 21.246 2.645 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.827 -0.655 -3.983 1.00 0.00 H new ATOM 0 HE2 HIS A 46 23.755 1.878 -3.731 1.00 0.00 H new ATOM 703 N LEU A 47 17.434 -2.347 -5.155 1.00 0.00 N ATOM 704 CA LEU A 47 17.034 -3.730 -4.918 1.00 0.00 C ATOM 705 C LEU A 47 17.597 -4.652 -5.995 1.00 0.00 C ATOM 706 O LEU A 47 17.469 -4.379 -7.188 1.00 0.00 O ATOM 707 CB LEU A 47 15.508 -3.843 -4.880 1.00 0.00 C ATOM 708 CG LEU A 47 14.799 -2.758 -4.069 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.457 -2.414 -4.695 1.00 0.00 C ATOM 710 CD2 LEU A 47 14.618 -3.205 -2.626 1.00 0.00 C ATOM 0 H LEU A 47 16.907 -1.875 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 47 17.438 -4.038 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.131 -3.816 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.241 -4.816 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 47 15.419 -1.862 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.967 -1.640 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.612 -2.051 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.828 -3.304 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.112 -2.421 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.019 -4.115 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.593 -3.400 -2.180 1.00 0.00 H new ATOM 722 N ALA A 48 18.220 -5.745 -5.565 1.00 0.00 N ATOM 723 CA ALA A 48 18.802 -6.706 -6.493 1.00 0.00 C ATOM 724 C ALA A 48 18.995 -8.064 -5.828 1.00 0.00 C ATOM 725 O ALA A 48 18.345 -9.044 -6.192 1.00 0.00 O ATOM 726 CB ALA A 48 20.128 -6.187 -7.029 1.00 0.00 C ATOM 0 H ALA A 48 18.334 -5.986 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 48 18.110 -6.833 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 48 20.551 -6.915 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.966 -5.243 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.819 -6.030 -6.201 1.00 0.00 H new ATOM 732 N ARG A 49 19.893 -8.115 -4.849 1.00 0.00 N ATOM 733 CA ARG A 49 20.172 -9.353 -4.132 1.00 0.00 C ATOM 734 C ARG A 49 20.410 -9.081 -2.650 1.00 0.00 C ATOM 735 O ARG A 49 21.304 -8.319 -2.285 1.00 0.00 O ATOM 736 CB ARG A 49 21.389 -10.056 -4.737 1.00 0.00 C ATOM 737 CG ARG A 49 21.254 -11.568 -4.792 1.00 0.00 C ATOM 738 CD ARG A 49 20.875 -12.045 -6.185 1.00 0.00 C ATOM 739 NE ARG A 49 21.958 -11.846 -7.145 1.00 0.00 N ATOM 740 CZ ARG A 49 21.978 -12.385 -8.361 1.00 0.00 C ATOM 741 NH1 ARG A 49 20.979 -13.156 -8.771 1.00 0.00 N ATOM 742 NH2 ARG A 49 23.003 -12.153 -9.172 1.00 0.00 N ATOM 0 H ARG A 49 20.439 -7.313 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 49 19.302 -10.003 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 49 21.552 -9.677 -5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 49 22.273 -9.800 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.195 -12.029 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.498 -11.893 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.614 -13.103 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.988 -11.509 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 49 22.745 -11.260 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.189 -13.339 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.001 -13.566 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.774 -11.562 -8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.019 -12.566 -10.105 1.00 0.00 H new ATOM 756 N GLY A 50 19.605 -9.712 -1.800 1.00 0.00 N ATOM 757 CA GLY A 50 19.746 -9.525 -0.368 1.00 0.00 C ATOM 758 C GLY A 50 18.660 -8.640 0.212 1.00 0.00 C ATOM 759 O GLY A 50 18.058 -8.971 1.233 1.00 0.00 O ATOM 0 H GLY A 50 18.858 -10.349 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.721 -10.496 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.720 -9.085 -0.157 1.00 0.00 H new ATOM 763 N GLU A 51 18.410 -7.510 -0.441 1.00 0.00 N ATOM 764 CA GLU A 51 17.391 -6.573 0.015 1.00 0.00 C ATOM 765 C GLU A 51 15.996 -7.051 -0.377 1.00 0.00 C ATOM 766 O GLU A 51 15.022 -6.811 0.337 1.00 0.00 O ATOM 767 CB GLU A 51 17.648 -5.181 -0.568 1.00 0.00 C ATOM 768 CG GLU A 51 17.285 -4.049 0.378 1.00 0.00 C ATOM 769 CD GLU A 51 17.791 -2.702 -0.104 1.00 0.00 C ATOM 770 OE1 GLU A 51 18.986 -2.608 -0.453 1.00 0.00 O ATOM 771 OE2 GLU A 51 16.991 -1.743 -0.133 1.00 0.00 O ATOM 0 H GLU A 51 18.900 -7.221 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 51 17.445 -6.519 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.702 -5.097 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.076 -5.071 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.202 -4.007 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.700 -4.257 1.364 1.00 0.00 H new ATOM 778 N LEU A 52 15.908 -7.730 -1.516 1.00 0.00 N ATOM 779 CA LEU A 52 14.633 -8.243 -2.003 1.00 0.00 C ATOM 780 C LEU A 52 14.118 -9.362 -1.104 1.00 0.00 C ATOM 781 O LEU A 52 12.910 -9.529 -0.933 1.00 0.00 O ATOM 782 CB LEU A 52 14.779 -8.752 -3.439 1.00 0.00 C ATOM 783 CG LEU A 52 13.504 -8.684 -4.282 1.00 0.00 C ATOM 784 CD1 LEU A 52 13.106 -7.238 -4.532 1.00 0.00 C ATOM 785 CD2 LEU A 52 13.697 -9.421 -5.598 1.00 0.00 C ATOM 0 H LEU A 52 16.704 -7.938 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 52 13.911 -7.427 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.557 -8.173 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 52 15.122 -9.786 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 52 12.699 -9.170 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.197 -7.209 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.927 -6.740 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.909 -6.726 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.781 -9.363 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.515 -8.963 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.934 -10.466 -5.398 1.00 0.00 H new ATOM 797 N GLU A 53 15.041 -10.127 -0.532 1.00 0.00 N ATOM 798 CA GLU A 53 14.680 -11.231 0.351 1.00 0.00 C ATOM 799 C GLU A 53 14.512 -10.747 1.786 1.00 0.00 C ATOM 800 O GLU A 53 13.643 -11.225 2.516 1.00 0.00 O ATOM 801 CB GLU A 53 15.745 -12.328 0.291 1.00 0.00 C ATOM 802 CG GLU A 53 15.922 -12.929 -1.093 1.00 0.00 C ATOM 803 CD GLU A 53 16.735 -14.209 -1.073 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.915 -14.158 -0.666 1.00 0.00 O ATOM 805 OE2 GLU A 53 16.191 -15.265 -1.464 1.00 0.00 O ATOM 0 H GLU A 53 16.045 -10.003 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 53 13.728 -11.639 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.698 -11.916 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.478 -13.120 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.942 -13.132 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.412 -12.202 -1.741 1.00 0.00 H new ATOM 812 N SER A 54 15.349 -9.795 2.186 1.00 0.00 N ATOM 813 CA SER A 54 15.293 -9.246 3.537 1.00 0.00 C ATOM 814 C SER A 54 13.993 -8.480 3.760 1.00 0.00 C ATOM 815 O SER A 54 13.488 -8.407 4.881 1.00 0.00 O ATOM 816 CB SER A 54 16.490 -8.326 3.785 1.00 0.00 C ATOM 817 OG SER A 54 16.415 -7.162 2.980 1.00 0.00 O ATOM 0 H SER A 54 16.074 -9.388 1.595 1.00 0.00 H new ATOM 0 HA SER A 54 15.329 -10.077 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.523 -8.043 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.415 -8.861 3.570 1.00 0.00 H new ATOM 0 HG SER A 54 15.840 -7.336 2.206 1.00 0.00 H new ATOM 823 N LEU A 55 13.456 -7.907 2.687 1.00 0.00 N ATOM 824 CA LEU A 55 12.214 -7.145 2.767 1.00 0.00 C ATOM 825 C LEU A 55 11.076 -8.010 3.301 1.00 0.00 C ATOM 826 O LEU A 55 10.832 -9.109 2.804 1.00 0.00 O ATOM 827 CB LEU A 55 11.844 -6.587 1.392 1.00 0.00 C ATOM 828 CG LEU A 55 12.448 -5.220 1.064 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.028 -4.771 -0.327 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.035 -4.193 2.106 1.00 0.00 C ATOM 0 H LEU A 55 13.861 -7.956 1.752 1.00 0.00 H new ATOM 0 HA LEU A 55 12.370 -6.317 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.161 -7.299 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.758 -6.513 1.327 1.00 0.00 H new ATOM 0 HG LEU A 55 13.534 -5.309 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.467 -3.797 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.374 -5.496 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.941 -4.698 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.473 -3.226 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.949 -4.106 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.387 -4.509 3.088 1.00 0.00 H new ATOM 842 N SER A 56 10.383 -7.504 4.316 1.00 0.00 N ATOM 843 CA SER A 56 9.271 -8.228 4.918 1.00 0.00 C ATOM 844 C SER A 56 8.009 -7.372 4.933 1.00 0.00 C ATOM 845 O SER A 56 8.031 -6.209 4.525 1.00 0.00 O ATOM 846 CB SER A 56 9.626 -8.657 6.343 1.00 0.00 C ATOM 847 OG SER A 56 10.572 -7.774 6.920 1.00 0.00 O ATOM 0 H SER A 56 10.573 -6.595 4.738 1.00 0.00 H new ATOM 0 HA SER A 56 9.080 -9.116 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.724 -8.679 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.029 -9.670 6.332 1.00 0.00 H new ATOM 0 HG SER A 56 10.781 -8.069 7.831 1.00 0.00 H new ATOM 853 N GLN A 57 6.910 -7.951 5.405 1.00 0.00 N ATOM 854 CA GLN A 57 5.638 -7.239 5.473 1.00 0.00 C ATOM 855 C GLN A 57 5.760 -5.989 6.340 1.00 0.00 C ATOM 856 O GLN A 57 5.061 -5.001 6.122 1.00 0.00 O ATOM 857 CB GLN A 57 4.545 -8.159 6.024 1.00 0.00 C ATOM 858 CG GLN A 57 3.421 -8.426 5.037 1.00 0.00 C ATOM 859 CD GLN A 57 3.017 -9.887 4.993 1.00 0.00 C ATOM 860 OE1 GLN A 57 3.780 -10.767 5.392 1.00 0.00 O ATOM 861 NE2 GLN A 57 1.810 -10.153 4.505 1.00 0.00 N ATOM 0 H GLN A 57 6.874 -8.912 5.746 1.00 0.00 H new ATOM 0 HA GLN A 57 5.366 -6.930 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.994 -9.108 6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.127 -7.713 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.555 -7.822 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.734 -8.109 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.210 -9.392 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.483 -11.118 4.450 1.00 0.00 H new ATOM 870 N VAL A 58 6.651 -6.042 7.325 1.00 0.00 N ATOM 871 CA VAL A 58 6.862 -4.915 8.226 1.00 0.00 C ATOM 872 C VAL A 58 7.918 -3.962 7.675 1.00 0.00 C ATOM 873 O VAL A 58 7.716 -2.748 7.643 1.00 0.00 O ATOM 874 CB VAL A 58 7.296 -5.388 9.625 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.317 -4.223 10.602 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.380 -6.496 10.123 1.00 0.00 C ATOM 0 H VAL A 58 7.238 -6.853 7.519 1.00 0.00 H new ATOM 0 HA VAL A 58 5.909 -4.392 8.307 1.00 0.00 H new ATOM 0 HB VAL A 58 8.307 -5.789 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.626 -4.578 11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.020 -3.467 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.320 -3.788 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.703 -6.817 11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.357 -6.125 10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.424 -7.341 9.435 1.00 0.00 H new ATOM 886 N ASP A 59 9.045 -4.519 7.245 1.00 0.00 N ATOM 887 CA ASP A 59 10.134 -3.718 6.698 1.00 0.00 C ATOM 888 C ASP A 59 9.729 -3.075 5.375 1.00 0.00 C ATOM 889 O ASP A 59 10.199 -1.990 5.031 1.00 0.00 O ATOM 890 CB ASP A 59 11.382 -4.583 6.500 1.00 0.00 C ATOM 891 CG ASP A 59 12.395 -4.399 7.613 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.277 -5.095 8.644 1.00 0.00 O ATOM 893 OD2 ASP A 59 13.305 -3.559 7.455 1.00 0.00 O ATOM 0 H ASP A 59 9.228 -5.522 7.265 1.00 0.00 H new ATOM 0 HA ASP A 59 10.360 -2.924 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.089 -5.632 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.846 -4.334 5.545 1.00 0.00 H new ATOM 898 N LEU A 60 8.855 -3.749 4.637 1.00 0.00 N ATOM 899 CA LEU A 60 8.388 -3.242 3.351 1.00 0.00 C ATOM 900 C LEU A 60 7.668 -1.907 3.520 1.00 0.00 C ATOM 901 O LEU A 60 7.980 -0.933 2.837 1.00 0.00 O ATOM 902 CB LEU A 60 7.455 -4.257 2.687 1.00 0.00 C ATOM 903 CG LEU A 60 6.857 -3.810 1.352 1.00 0.00 C ATOM 904 CD1 LEU A 60 7.921 -3.812 0.264 1.00 0.00 C ATOM 905 CD2 LEU A 60 5.693 -4.709 0.962 1.00 0.00 C ATOM 0 H LEU A 60 8.455 -4.648 4.906 1.00 0.00 H new ATOM 0 HA LEU A 60 9.258 -3.087 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.005 -5.184 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.640 -4.483 3.375 1.00 0.00 H new ATOM 0 HG LEU A 60 6.483 -2.792 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.478 -3.491 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.724 -3.128 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.325 -4.818 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.280 -4.376 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.043 -5.737 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.921 -4.659 1.730 1.00 0.00 H new ATOM 917 N ALA A 61 6.705 -1.872 4.434 1.00 0.00 N ATOM 918 CA ALA A 61 5.940 -0.657 4.693 1.00 0.00 C ATOM 919 C ALA A 61 6.851 0.487 5.125 1.00 0.00 C ATOM 920 O ALA A 61 6.549 1.657 4.888 1.00 0.00 O ATOM 921 CB ALA A 61 4.880 -0.919 5.751 1.00 0.00 C ATOM 0 H ALA A 61 6.435 -2.671 5.008 1.00 0.00 H new ATOM 0 HA ALA A 61 5.449 -0.362 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.316 -0.005 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.203 -1.699 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.360 -1.242 6.675 1.00 0.00 H new ATOM 927 N SER A 62 7.966 0.145 5.762 1.00 0.00 N ATOM 928 CA SER A 62 8.919 1.146 6.229 1.00 0.00 C ATOM 929 C SER A 62 9.936 1.480 5.142 1.00 0.00 C ATOM 930 O SER A 62 10.435 2.603 5.071 1.00 0.00 O ATOM 931 CB SER A 62 9.641 0.647 7.482 1.00 0.00 C ATOM 932 OG SER A 62 10.000 -0.717 7.355 1.00 0.00 O ATOM 0 H SER A 62 8.232 -0.818 5.967 1.00 0.00 H new ATOM 0 HA SER A 62 8.365 2.052 6.473 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.535 1.247 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.998 0.777 8.352 1.00 0.00 H new ATOM 0 HG SER A 62 10.286 -0.896 6.435 1.00 0.00 H new ATOM 938 N LYS A 63 10.240 0.499 4.298 1.00 0.00 N ATOM 939 CA LYS A 63 11.199 0.691 3.217 1.00 0.00 C ATOM 940 C LYS A 63 10.588 1.509 2.084 1.00 0.00 C ATOM 941 O LYS A 63 11.233 2.402 1.533 1.00 0.00 O ATOM 942 CB LYS A 63 11.677 -0.663 2.686 1.00 0.00 C ATOM 943 CG LYS A 63 12.992 -1.124 3.293 1.00 0.00 C ATOM 944 CD LYS A 63 14.182 -0.506 2.577 1.00 0.00 C ATOM 945 CE LYS A 63 15.498 -0.956 3.192 1.00 0.00 C ATOM 946 NZ LYS A 63 16.645 -0.140 2.709 1.00 0.00 N ATOM 0 H LYS A 63 9.836 -0.437 4.342 1.00 0.00 H new ATOM 0 HA LYS A 63 12.052 1.240 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.912 -1.413 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.788 -0.601 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.021 -0.855 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.058 -2.211 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.158 -0.783 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.111 0.581 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.434 -0.885 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.672 -2.005 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.435 -0.219 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.948 -0.485 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.355 0.856 2.632 1.00 0.00 H new ATOM 960 N LEU A 64 9.343 1.198 1.739 1.00 0.00 N ATOM 961 CA LEU A 64 8.646 1.905 0.670 1.00 0.00 C ATOM 962 C LEU A 64 8.536 3.394 0.982 1.00 0.00 C ATOM 963 O LEU A 64 8.551 4.230 0.079 1.00 0.00 O ATOM 964 CB LEU A 64 7.252 1.311 0.461 1.00 0.00 C ATOM 965 CG LEU A 64 7.232 -0.133 -0.040 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.817 -0.691 -0.003 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.802 -0.214 -1.448 1.00 0.00 C ATOM 0 H LEU A 64 8.796 0.461 2.184 1.00 0.00 H new ATOM 0 HA LEU A 64 9.225 1.787 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.708 1.360 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.711 1.934 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 64 7.856 -0.736 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.822 -1.720 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.443 -0.667 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.171 -0.087 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.781 -1.249 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.204 0.402 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.831 0.146 -1.445 1.00 0.00 H new ATOM 979 N ILE A 65 8.426 3.720 2.266 1.00 0.00 N ATOM 980 CA ILE A 65 8.314 5.109 2.695 1.00 0.00 C ATOM 981 C ILE A 65 9.691 5.736 2.892 1.00 0.00 C ATOM 982 O ILE A 65 9.887 6.922 2.626 1.00 0.00 O ATOM 983 CB ILE A 65 7.513 5.230 4.006 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.195 4.462 3.897 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.254 6.694 4.334 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.441 4.369 5.206 1.00 0.00 C ATOM 0 H ILE A 65 8.412 3.041 3.027 1.00 0.00 H new ATOM 0 HA ILE A 65 7.785 5.642 1.905 1.00 0.00 H new ATOM 0 HB ILE A 65 8.099 4.794 4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.561 4.948 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.399 3.455 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.687 6.764 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.205 7.215 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.684 7.153 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.517 3.812 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.057 3.857 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.206 5.372 5.562 1.00 0.00 H new ATOM 998 N SER A 66 10.639 4.932 3.360 1.00 0.00 N ATOM 999 CA SER A 66 11.997 5.408 3.594 1.00 0.00 C ATOM 1000 C SER A 66 12.753 5.569 2.279 1.00 0.00 C ATOM 1001 O SER A 66 13.651 6.404 2.166 1.00 0.00 O ATOM 1002 CB SER A 66 12.748 4.441 4.511 1.00 0.00 C ATOM 1003 OG SER A 66 12.541 4.767 5.875 1.00 0.00 O ATOM 0 H SER A 66 10.492 3.948 3.585 1.00 0.00 H new ATOM 0 HA SER A 66 11.934 6.383 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.412 3.421 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.814 4.473 4.284 1.00 0.00 H new ATOM 0 HG SER A 66 13.030 4.133 6.441 1.00 0.00 H new ATOM 1009 N MET A 67 12.386 4.763 1.287 1.00 0.00 N ATOM 1010 CA MET A 67 13.032 4.816 -0.019 1.00 0.00 C ATOM 1011 C MET A 67 12.406 5.896 -0.896 1.00 0.00 C ATOM 1012 O MET A 67 13.094 6.545 -1.684 1.00 0.00 O ATOM 1013 CB MET A 67 12.933 3.457 -0.715 1.00 0.00 C ATOM 1014 CG MET A 67 13.822 2.391 -0.095 1.00 0.00 C ATOM 1015 SD MET A 67 13.899 0.889 -1.089 1.00 0.00 S ATOM 1016 CE MET A 67 12.160 0.475 -1.213 1.00 0.00 C ATOM 0 H MET A 67 11.645 4.066 1.363 1.00 0.00 H new ATOM 0 HA MET A 67 14.082 5.064 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.898 3.117 -0.686 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.200 3.575 -1.765 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.828 2.791 0.031 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.449 2.146 0.899 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.030 -0.597 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.602 1.016 -0.449 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.789 0.754 -2.199 1.00 0.00 H new ATOM 1026 N TYR A 68 11.097 6.083 -0.755 1.00 0.00 N ATOM 1027 CA TYR A 68 10.381 7.084 -1.537 1.00 0.00 C ATOM 1028 C TYR A 68 9.529 7.973 -0.636 1.00 0.00 C ATOM 1029 O TYR A 68 9.800 9.164 -0.488 1.00 0.00 O ATOM 1030 CB TYR A 68 9.500 6.406 -2.587 1.00 0.00 C ATOM 1031 CG TYR A 68 10.201 5.300 -3.343 1.00 0.00 C ATOM 1032 CD1 TYR A 68 11.054 5.589 -4.400 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.010 3.968 -2.998 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.696 4.580 -5.094 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.649 2.954 -3.687 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.492 3.265 -4.733 1.00 0.00 C ATOM 1037 OH TYR A 68 12.130 2.259 -5.421 1.00 0.00 O ATOM 0 H TYR A 68 10.512 5.555 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 68 11.117 7.710 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.616 5.997 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.153 7.156 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.219 6.618 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.352 3.721 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.355 4.821 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.489 1.923 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 68 11.995 2.384 -6.384 1.00 0.00 H new ATOM 1047 N GLY A 69 8.497 7.387 -0.037 1.00 0.00 N ATOM 1048 CA GLY A 69 7.621 8.143 0.840 1.00 0.00 C ATOM 1049 C GLY A 69 6.295 7.448 1.074 1.00 0.00 C ATOM 1050 O GLY A 69 6.066 6.346 0.574 1.00 0.00 O ATOM 0 H GLY A 69 8.252 6.403 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.119 8.301 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.441 9.127 0.408 1.00 0.00 H new ATOM 1054 N ALA A 70 5.418 8.090 1.838 1.00 0.00 N ATOM 1055 CA ALA A 70 4.108 7.527 2.139 1.00 0.00 C ATOM 1056 C ALA A 70 3.154 7.693 0.961 1.00 0.00 C ATOM 1057 O ALA A 70 2.260 6.872 0.753 1.00 0.00 O ATOM 1058 CB ALA A 70 3.528 8.178 3.386 1.00 0.00 C ATOM 0 H ALA A 70 5.592 9.002 2.260 1.00 0.00 H new ATOM 0 HA ALA A 70 4.233 6.460 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.549 7.748 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.193 8.002 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.425 9.251 3.222 1.00 0.00 H new ATOM 1064 N GLN A 71 3.348 8.761 0.194 1.00 0.00 N ATOM 1065 CA GLN A 71 2.504 9.036 -0.962 1.00 0.00 C ATOM 1066 C GLN A 71 2.934 8.199 -2.164 1.00 0.00 C ATOM 1067 O GLN A 71 2.103 7.778 -2.968 1.00 0.00 O ATOM 1068 CB GLN A 71 2.555 10.525 -1.314 1.00 0.00 C ATOM 1069 CG GLN A 71 1.200 11.212 -1.248 1.00 0.00 C ATOM 1070 CD GLN A 71 0.899 12.028 -2.490 1.00 0.00 C ATOM 1071 OE1 GLN A 71 1.807 12.507 -3.168 1.00 0.00 O ATOM 1072 NE2 GLN A 71 -0.384 12.192 -2.793 1.00 0.00 N ATOM 0 H GLN A 71 4.083 9.450 0.353 1.00 0.00 H new ATOM 0 HA GLN A 71 1.480 8.766 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.242 11.028 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.962 10.639 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.422 10.461 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.169 11.862 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.105 11.777 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.648 12.733 -3.616 1.00 0.00 H new ATOM 1081 N GLU A 72 4.237 7.962 -2.278 1.00 0.00 N ATOM 1082 CA GLU A 72 4.777 7.177 -3.382 1.00 0.00 C ATOM 1083 C GLU A 72 4.691 5.683 -3.081 1.00 0.00 C ATOM 1084 O GLU A 72 4.446 4.873 -3.975 1.00 0.00 O ATOM 1085 CB GLU A 72 6.228 7.576 -3.657 1.00 0.00 C ATOM 1086 CG GLU A 72 6.450 8.143 -5.050 1.00 0.00 C ATOM 1087 CD GLU A 72 6.481 9.659 -5.064 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.501 10.235 -4.633 1.00 0.00 O ATOM 1089 OE2 GLU A 72 5.486 10.270 -5.508 1.00 0.00 O ATOM 0 H GLU A 72 4.938 8.302 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 72 4.179 7.383 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.539 8.316 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.868 6.704 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.390 7.760 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.657 7.793 -5.711 1.00 0.00 H new ATOM 1096 N ALA A 73 4.898 5.326 -1.817 1.00 0.00 N ATOM 1097 CA ALA A 73 4.846 3.930 -1.399 1.00 0.00 C ATOM 1098 C ALA A 73 3.493 3.305 -1.725 1.00 0.00 C ATOM 1099 O ALA A 73 3.419 2.167 -2.187 1.00 0.00 O ATOM 1100 CB ALA A 73 5.136 3.816 0.090 1.00 0.00 C ATOM 0 H ALA A 73 5.103 5.984 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 73 5.610 3.383 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.094 2.769 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.129 4.214 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.393 4.384 0.650 1.00 0.00 H new ATOM 1106 N VAL A 74 2.426 4.058 -1.481 1.00 0.00 N ATOM 1107 CA VAL A 74 1.075 3.578 -1.749 1.00 0.00 C ATOM 1108 C VAL A 74 0.815 3.471 -3.248 1.00 0.00 C ATOM 1109 O VAL A 74 0.009 2.653 -3.691 1.00 0.00 O ATOM 1110 CB VAL A 74 0.015 4.501 -1.118 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.378 3.915 -1.291 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.321 4.740 0.353 1.00 0.00 C ATOM 0 H VAL A 74 2.470 5.002 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 74 0.997 2.588 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 74 0.046 5.461 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.112 4.582 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.596 3.802 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.426 2.940 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.439 5.394 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.321 3.788 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.300 5.209 0.449 1.00 0.00 H new ATOM 1122 N ARG A 75 1.502 4.302 -4.025 1.00 0.00 N ATOM 1123 CA ARG A 75 1.342 4.299 -5.475 1.00 0.00 C ATOM 1124 C ARG A 75 2.031 3.089 -6.099 1.00 0.00 C ATOM 1125 O ARG A 75 1.596 2.581 -7.133 1.00 0.00 O ATOM 1126 CB ARG A 75 1.908 5.591 -6.072 1.00 0.00 C ATOM 1127 CG ARG A 75 0.946 6.299 -7.012 1.00 0.00 C ATOM 1128 CD ARG A 75 1.409 7.714 -7.320 1.00 0.00 C ATOM 1129 NE ARG A 75 1.291 8.593 -6.159 1.00 0.00 N ATOM 1130 CZ ARG A 75 1.935 9.752 -6.039 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.741 10.174 -7.005 1.00 0.00 N ATOM 1132 NH2 ARG A 75 1.772 10.491 -4.950 1.00 0.00 N ATOM 0 H ARG A 75 2.174 4.985 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 75 0.277 4.239 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.176 6.269 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.827 5.360 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.859 5.733 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.047 6.329 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.446 7.691 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.818 8.118 -8.142 1.00 0.00 H new ATOM 0 HE ARG A 75 0.680 8.302 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.870 9.610 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.232 11.063 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.153 10.171 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.265 11.379 -4.858 1.00 0.00 H new ATOM 1146 N VAL A 76 3.106 2.633 -5.466 1.00 0.00 N ATOM 1147 CA VAL A 76 3.854 1.484 -5.961 1.00 0.00 C ATOM 1148 C VAL A 76 3.063 0.193 -5.784 1.00 0.00 C ATOM 1149 O VAL A 76 3.197 -0.741 -6.575 1.00 0.00 O ATOM 1150 CB VAL A 76 5.210 1.344 -5.242 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.058 0.269 -5.906 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.944 2.677 -5.221 1.00 0.00 C ATOM 0 H VAL A 76 3.479 3.042 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 76 4.029 1.656 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 76 5.025 1.042 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.012 0.184 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.534 -0.686 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.236 0.538 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.899 2.558 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.119 3.012 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.340 3.417 -4.695 1.00 0.00 H new ATOM 1162 N VAL A 77 2.240 0.146 -4.741 1.00 0.00 N ATOM 1163 CA VAL A 77 1.429 -1.033 -4.462 1.00 0.00 C ATOM 1164 C VAL A 77 0.237 -1.120 -5.409 1.00 0.00 C ATOM 1165 O VAL A 77 -0.227 -2.211 -5.740 1.00 0.00 O ATOM 1166 CB VAL A 77 0.916 -1.031 -3.009 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.245 -2.354 -2.677 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.054 -0.744 -2.043 1.00 0.00 C ATOM 0 H VAL A 77 2.118 0.910 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 77 2.072 -1.900 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 77 0.174 -0.239 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.111 -2.333 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.598 -2.513 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.962 -3.166 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.674 -0.746 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.821 -1.511 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.484 0.232 -2.268 1.00 0.00 H new ATOM 1178 N SER A 78 -0.255 0.036 -5.841 1.00 0.00 N ATOM 1179 CA SER A 78 -1.396 0.089 -6.749 1.00 0.00 C ATOM 1180 C SER A 78 -0.999 -0.365 -8.150 1.00 0.00 C ATOM 1181 O SER A 78 -1.813 -0.923 -8.886 1.00 0.00 O ATOM 1182 CB SER A 78 -1.965 1.509 -6.803 1.00 0.00 C ATOM 1183 OG SER A 78 -3.344 1.493 -7.128 1.00 0.00 O ATOM 0 H SER A 78 0.118 0.948 -5.578 1.00 0.00 H new ATOM 0 HA SER A 78 -2.161 -0.589 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.821 1.999 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.420 2.095 -7.544 1.00 0.00 H new ATOM 0 HG SER A 78 -3.684 2.412 -7.155 1.00 0.00 H new ATOM 1189 N ARG A 79 0.256 -0.120 -8.515 1.00 0.00 N ATOM 1190 CA ARG A 79 0.759 -0.503 -9.829 1.00 0.00 C ATOM 1191 C ARG A 79 0.773 -2.021 -9.986 1.00 0.00 C ATOM 1192 O ARG A 79 0.312 -2.555 -10.995 1.00 0.00 O ATOM 1193 CB ARG A 79 2.166 0.059 -10.043 1.00 0.00 C ATOM 1194 CG ARG A 79 2.193 1.336 -10.869 1.00 0.00 C ATOM 1195 CD ARG A 79 3.209 1.256 -12.000 1.00 0.00 C ATOM 1196 NE ARG A 79 4.201 2.325 -11.921 1.00 0.00 N ATOM 1197 CZ ARG A 79 5.064 2.610 -12.895 1.00 0.00 C ATOM 1198 NH1 ARG A 79 5.060 1.907 -14.020 1.00 0.00 N ATOM 1199 NH2 ARG A 79 5.933 3.599 -12.741 1.00 0.00 N ATOM 0 H ARG A 79 0.943 0.342 -7.919 1.00 0.00 H new ATOM 0 HA ARG A 79 0.091 -0.086 -10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.622 0.255 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.778 -0.696 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.202 1.522 -11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.433 2.181 -10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.713 0.290 -11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.691 1.312 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 79 4.235 2.886 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.394 1.144 -14.142 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.723 2.129 -14.763 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.941 4.141 -11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.594 3.818 -13.486 1.00 0.00 H new ATOM 1213 N SER A 80 1.305 -2.711 -8.982 1.00 0.00 N ATOM 1214 CA SER A 80 1.380 -4.167 -9.011 1.00 0.00 C ATOM 1215 C SER A 80 0.008 -4.789 -8.769 1.00 0.00 C ATOM 1216 O SER A 80 -0.293 -5.869 -9.276 1.00 0.00 O ATOM 1217 CB SER A 80 2.375 -4.668 -7.961 1.00 0.00 C ATOM 1218 OG SER A 80 3.275 -5.609 -8.519 1.00 0.00 O ATOM 0 H SER A 80 1.690 -2.285 -8.139 1.00 0.00 H new ATOM 0 HA SER A 80 1.724 -4.469 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.932 -3.825 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.834 -5.125 -7.132 1.00 0.00 H new ATOM 0 HG SER A 80 4.169 -5.212 -8.577 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.821 -4.100 -7.991 1.00 0.00 N ATOM 1225 CA LEU A 81 -2.161 -4.585 -7.682 1.00 0.00 C ATOM 1226 C LEU A 81 -2.980 -4.774 -8.955 1.00 0.00 C ATOM 1227 O LEU A 81 -3.801 -5.687 -9.046 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.875 -3.610 -6.743 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.644 -3.861 -5.252 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.270 -2.751 -4.422 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -3.208 -5.215 -4.847 1.00 0.00 C ATOM 0 H LEU A 81 -0.588 -3.204 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.064 -5.552 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.550 -2.597 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.946 -3.656 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.570 -3.866 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.096 -2.946 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.821 -1.796 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.343 -2.715 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.035 -5.378 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.279 -5.238 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.714 -6.001 -5.419 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.752 -3.905 -9.934 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.470 -3.977 -11.201 1.00 0.00 C ATOM 1245 C LEU A 82 -2.938 -5.115 -12.066 1.00 0.00 C ATOM 1246 O LEU A 82 -3.679 -5.713 -12.846 1.00 0.00 O ATOM 1247 CB LEU A 82 -3.351 -2.650 -11.954 1.00 0.00 C ATOM 1248 CG LEU A 82 -4.358 -1.576 -11.537 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -4.135 -0.299 -12.331 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.780 -2.081 -11.723 1.00 0.00 C ATOM 0 H LEU A 82 -2.076 -3.143 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.520 -4.172 -10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.344 -2.258 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.469 -2.843 -13.020 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.208 -1.353 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.860 0.453 -12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.126 0.072 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.258 -0.505 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.484 -1.305 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.943 -2.332 -12.771 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.934 -2.969 -11.109 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.651 -5.410 -11.922 1.00 0.00 N ATOM 1263 CA ALA A 83 -1.020 -6.477 -12.690 1.00 0.00 C ATOM 1264 C ALA A 83 -1.485 -7.848 -12.211 1.00 0.00 C ATOM 1265 O ALA A 83 -1.561 -8.796 -12.992 1.00 0.00 O ATOM 1266 CB ALA A 83 0.494 -6.369 -12.599 1.00 0.00 C ATOM 0 H ALA A 83 -1.024 -4.925 -11.280 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.319 -6.365 -13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.951 -7.172 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.815 -5.407 -12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.803 -6.451 -11.557 1.00 0.00 H new ATOM 1272 N MET A 84 -1.792 -7.946 -10.921 1.00 0.00 N ATOM 1273 CA MET A 84 -2.249 -9.203 -10.338 1.00 0.00 C ATOM 1274 C MET A 84 -3.774 -9.245 -10.225 1.00 0.00 C ATOM 1275 O MET A 84 -4.341 -10.232 -9.755 1.00 0.00 O ATOM 1276 CB MET A 84 -1.620 -9.405 -8.958 1.00 0.00 C ATOM 1277 CG MET A 84 -0.108 -9.254 -8.951 1.00 0.00 C ATOM 1278 SD MET A 84 0.717 -10.541 -7.995 1.00 0.00 S ATOM 1279 CE MET A 84 0.130 -10.165 -6.345 1.00 0.00 C ATOM 0 H MET A 84 -1.733 -7.171 -10.260 1.00 0.00 H new ATOM 0 HA MET A 84 -1.936 -10.010 -11.000 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.052 -8.686 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.879 -10.398 -8.591 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.260 -9.277 -9.977 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.153 -8.279 -8.541 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.979 -9.943 -5.698 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.533 -9.300 -6.383 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.414 -11.022 -5.948 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.436 -8.173 -10.657 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.891 -8.102 -10.599 1.00 0.00 C ATOM 1291 C ASN A 85 -6.385 -8.205 -9.160 1.00 0.00 C ATOM 1292 O ASN A 85 -6.827 -9.266 -8.719 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.511 -9.216 -11.444 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.942 -8.910 -11.843 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -8.521 -7.915 -11.407 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -8.519 -9.768 -12.676 1.00 0.00 N ATOM 0 H ASN A 85 -3.988 -7.345 -11.050 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.198 -7.136 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.910 -9.365 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.485 -10.151 -10.884 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.481 -9.615 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.001 -10.580 -13.012 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.305 -7.096 -8.432 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.744 -7.061 -7.041 1.00 0.00 C ATOM 1305 C LEU A 86 -7.180 -5.654 -6.644 1.00 0.00 C ATOM 1306 O LEU A 86 -6.432 -4.921 -5.997 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.621 -7.540 -6.118 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.252 -9.017 -6.260 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.974 -9.323 -5.495 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.391 -9.900 -5.771 1.00 0.00 C ATOM 0 H LEU A 86 -5.940 -6.210 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.599 -7.729 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.732 -6.939 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.915 -7.352 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.080 -9.229 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.727 -10.379 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.160 -8.715 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.118 -9.095 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.111 -10.948 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.593 -9.685 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.285 -9.700 -6.361 1.00 0.00 H new ATOM 1322 N MET A 87 -8.395 -5.285 -7.035 1.00 0.00 N ATOM 1323 CA MET A 87 -8.933 -3.965 -6.721 1.00 0.00 C ATOM 1324 C MET A 87 -9.294 -3.848 -5.240 1.00 0.00 C ATOM 1325 O MET A 87 -9.597 -2.758 -4.754 1.00 0.00 O ATOM 1326 CB MET A 87 -10.165 -3.679 -7.581 1.00 0.00 C ATOM 1327 CG MET A 87 -9.853 -2.910 -8.855 1.00 0.00 C ATOM 1328 SD MET A 87 -10.223 -1.152 -8.715 1.00 0.00 S ATOM 1329 CE MET A 87 -9.240 -0.490 -10.058 1.00 0.00 C ATOM 0 H MET A 87 -9.027 -5.881 -7.570 1.00 0.00 H new ATOM 0 HA MET A 87 -8.160 -3.229 -6.941 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.641 -4.623 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.886 -3.112 -6.992 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.799 -3.037 -9.102 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.427 -3.333 -9.680 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.364 0.592 -10.101 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.189 -0.728 -9.892 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.567 -0.930 -11.000 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.262 -4.971 -4.526 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.589 -4.983 -3.104 1.00 0.00 C ATOM 1341 C GLU A 88 -8.707 -4.003 -2.333 1.00 0.00 C ATOM 1342 O GLU A 88 -9.193 -3.247 -1.491 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.427 -6.394 -2.535 1.00 0.00 C ATOM 1344 CG GLU A 88 -10.747 -7.113 -2.309 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.018 -8.177 -3.354 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -10.635 -7.971 -4.525 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -11.611 -9.218 -3.002 1.00 0.00 O ATOM 0 H GLU A 88 -9.013 -5.883 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.627 -4.671 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.814 -6.983 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.888 -6.336 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.741 -7.573 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.559 -6.386 -2.318 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.412 -4.025 -2.624 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.463 -3.139 -1.957 1.00 0.00 C ATOM 1356 C LEU A 89 -6.435 -1.769 -2.625 1.00 0.00 C ATOM 1357 O LEU A 89 -6.295 -0.744 -1.956 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.064 -3.756 -1.969 1.00 0.00 C ATOM 1359 CG LEU A 89 -4.800 -4.783 -0.867 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.385 -5.330 -0.975 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.031 -4.165 0.503 1.00 0.00 C ATOM 0 H LEU A 89 -6.994 -4.646 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.787 -3.011 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.902 -4.233 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.330 -2.955 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.498 -5.611 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.215 -6.059 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.254 -5.810 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.670 -4.513 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.839 -4.910 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.357 -3.319 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.063 -3.823 0.578 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.568 -1.756 -3.946 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.558 -0.511 -4.704 1.00 0.00 C ATOM 1375 C VAL A 90 -7.697 0.407 -4.272 1.00 0.00 C ATOM 1376 O VAL A 90 -7.592 1.629 -4.365 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.669 -0.773 -6.218 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.506 0.520 -7.001 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.640 -1.804 -6.657 1.00 0.00 C ATOM 0 H VAL A 90 -6.684 -2.595 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.605 -0.024 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.662 -1.171 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.588 0.312 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.285 1.224 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.528 0.953 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.733 -1.977 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.638 -1.436 -6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.811 -2.739 -6.123 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.786 -0.192 -3.796 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.943 0.573 -3.349 1.00 0.00 C ATOM 1391 C ASP A 91 -9.658 1.272 -2.024 1.00 0.00 C ATOM 1392 O ASP A 91 -9.989 2.444 -1.845 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.160 -0.343 -3.203 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.465 0.382 -3.469 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.495 1.237 -4.379 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.457 0.096 -2.765 1.00 0.00 O ATOM 0 H ASP A 91 -8.890 -1.203 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.155 1.333 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.066 -1.181 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.178 -0.761 -2.196 1.00 0.00 H new ATOM 1401 N TYR A 92 -9.041 0.545 -1.098 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.712 1.096 0.211 1.00 0.00 C ATOM 1403 C TYR A 92 -7.566 2.097 0.109 1.00 0.00 C ATOM 1404 O TYR A 92 -7.649 3.207 0.635 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.337 -0.026 1.182 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.148 0.442 2.607 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.232 0.860 3.369 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.887 0.467 3.189 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -9.064 1.290 4.672 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.711 0.895 4.491 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.802 1.305 5.228 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.631 1.732 6.525 1.00 0.00 O ATOM 0 H TYR A 92 -8.759 -0.426 -1.230 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.593 1.616 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.115 -0.789 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.417 -0.499 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.222 0.849 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.030 0.147 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.916 1.612 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.724 0.908 4.929 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.101 1.073 7.019 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.496 1.698 -0.572 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.333 2.560 -0.743 1.00 0.00 C ATOM 1424 C LEU A 93 -5.715 3.853 -1.457 1.00 0.00 C ATOM 1425 O LEU A 93 -5.111 4.902 -1.226 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.243 1.830 -1.531 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.721 0.549 -0.878 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.735 -0.154 -1.799 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.073 0.861 0.462 1.00 0.00 C ATOM 0 H LEU A 93 -6.411 0.783 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.949 2.812 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.633 1.584 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.405 2.511 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.564 -0.119 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.373 -1.063 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.231 -0.410 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.893 0.507 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.707 -0.062 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.239 1.547 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.807 1.321 1.123 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.718 3.772 -2.324 1.00 0.00 N ATOM 1442 CA ASN A 94 -7.179 4.938 -3.070 1.00 0.00 C ATOM 1443 C ASN A 94 -7.803 5.969 -2.135 1.00 0.00 C ATOM 1444 O ASN A 94 -7.710 7.174 -2.374 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.193 4.518 -4.136 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.546 4.277 -5.486 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -6.384 4.620 -5.699 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -8.298 3.684 -6.406 1.00 0.00 N ATOM 0 H ASN A 94 -7.227 2.912 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.316 5.392 -3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.701 3.610 -3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.955 5.292 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.916 3.496 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.257 3.416 -6.186 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.438 5.490 -1.071 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.077 6.371 -0.101 1.00 0.00 C ATOM 1457 C GLN A 95 -8.045 6.978 0.845 1.00 0.00 C ATOM 1458 O GLN A 95 -8.207 8.104 1.316 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.132 5.602 0.700 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.548 5.797 0.184 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.597 5.553 1.250 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -13.129 4.450 1.374 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.899 6.585 2.029 1.00 0.00 N ATOM 0 H GLN A 95 -8.524 4.496 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.563 7.180 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.889 4.540 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.087 5.918 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.654 6.812 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.722 5.121 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.433 7.482 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.597 6.481 2.766 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.985 6.226 1.119 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.927 6.690 2.007 1.00 0.00 C ATOM 1474 C VAL A 96 -5.072 7.758 1.332 1.00 0.00 C ATOM 1475 O VAL A 96 -3.883 7.554 1.086 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.021 5.527 2.458 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.056 5.989 3.538 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -5.860 4.356 2.946 1.00 0.00 C ATOM 0 H VAL A 96 -6.836 5.292 0.738 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.414 7.120 2.883 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.436 5.193 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.425 5.154 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.431 6.793 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.619 6.352 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.204 3.544 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.473 4.674 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.505 4.009 2.139 1.00 0.00 H new