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 67 MET CE :methyl -134:sc= -0.0472 (180deg=-1.65) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.89) 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) USER MOD Single : A 25 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0.038) USER MOD Single : A 43 THR OG1 : rot -1:sc= 1.12 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.28) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.045 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.387 USER MOD Single : A 80 SER OG : rot -14:sc= 0.886 USER MOD Single : A 84 MET CE :methyl -164:sc= -0.639 (180deg=-1.34!) USER MOD Single : A 85 ASN : amide:sc=-0.00621 X(o=-0.0062,f=-0.17) USER MOD Single : A 87 MET CE :methyl -179:sc= -1.92 (180deg=-1.92) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -1.84 F(o=-2.9!,f=-1.8) USER MOD Single : A 95 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.056 3.923 9.269 1.00 0.00 N ATOM 149 CA ALA A 13 -6.739 4.277 9.786 1.00 0.00 C ATOM 150 C ALA A 13 -6.547 5.789 9.809 1.00 0.00 C ATOM 151 O ALA A 13 -7.249 6.525 9.114 1.00 0.00 O ATOM 152 CB ALA A 13 -5.651 3.618 8.951 1.00 0.00 C ATOM 0 HA ALA A 13 -6.667 3.912 10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.673 3.890 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.769 2.535 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.731 3.956 7.918 1.00 0.00 H new ATOM 158 N ASN A 14 -5.593 6.248 10.612 1.00 0.00 N ATOM 159 CA ASN A 14 -5.309 7.674 10.725 1.00 0.00 C ATOM 160 C ASN A 14 -4.065 8.046 9.925 1.00 0.00 C ATOM 161 O ASN A 14 -4.128 8.863 9.005 1.00 0.00 O ATOM 162 CB ASN A 14 -5.121 8.062 12.193 1.00 0.00 C ATOM 163 CG ASN A 14 -5.783 9.383 12.531 1.00 0.00 C ATOM 164 OD1 ASN A 14 -6.859 9.700 12.023 1.00 0.00 O ATOM 165 ND2 ASN A 14 -5.142 10.165 13.392 1.00 0.00 N ATOM 0 H ASN A 14 -5.003 5.653 11.194 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.158 8.222 10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.534 7.279 12.829 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.056 8.125 12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.539 11.067 13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.252 9.864 13.790 1.00 0.00 H new ATOM 172 N SER A 15 -2.936 7.442 10.279 1.00 0.00 N ATOM 173 CA SER A 15 -1.678 7.711 9.593 1.00 0.00 C ATOM 174 C SER A 15 -1.578 6.901 8.302 1.00 0.00 C ATOM 175 O SER A 15 -2.201 5.848 8.170 1.00 0.00 O ATOM 176 CB SER A 15 -0.494 7.383 10.506 1.00 0.00 C ATOM 177 OG SER A 15 -0.236 5.991 10.528 1.00 0.00 O ATOM 0 H SER A 15 -2.866 6.763 11.037 1.00 0.00 H new ATOM 0 HA SER A 15 -1.651 8.771 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.393 7.915 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.703 7.733 11.517 1.00 0.00 H new ATOM 0 HG SER A 15 0.526 5.809 11.117 1.00 0.00 H new ATOM 183 N PRO A 16 -0.787 7.386 7.328 1.00 0.00 N ATOM 184 CA PRO A 16 -0.608 6.702 6.043 1.00 0.00 C ATOM 185 C PRO A 16 0.192 5.411 6.182 1.00 0.00 C ATOM 186 O PRO A 16 0.021 4.477 5.399 1.00 0.00 O ATOM 187 CB PRO A 16 0.163 7.722 5.202 1.00 0.00 C ATOM 188 CG PRO A 16 0.884 8.564 6.195 1.00 0.00 C ATOM 189 CD PRO A 16 -0.008 8.636 7.404 1.00 0.00 C ATOM 0 HA PRO A 16 -1.560 6.401 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.858 7.230 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.511 8.321 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.850 8.127 6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.079 9.559 5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.569 8.694 8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.653 9.514 7.376 1.00 0.00 H new ATOM 197 N GLN A 17 1.066 5.367 7.182 1.00 0.00 N ATOM 198 CA GLN A 17 1.894 4.191 7.423 1.00 0.00 C ATOM 199 C GLN A 17 1.031 2.976 7.753 1.00 0.00 C ATOM 200 O GLN A 17 1.221 1.896 7.192 1.00 0.00 O ATOM 201 CB GLN A 17 2.877 4.457 8.563 1.00 0.00 C ATOM 202 CG GLN A 17 4.118 5.219 8.130 1.00 0.00 C ATOM 203 CD GLN A 17 4.660 6.121 9.222 1.00 0.00 C ATOM 204 OE1 GLN A 17 4.840 7.321 9.019 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.922 5.546 10.390 1.00 0.00 N ATOM 0 H GLN A 17 1.219 6.132 7.839 1.00 0.00 H new ATOM 0 HA GLN A 17 2.454 3.980 6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.369 5.021 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.179 3.506 9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.890 4.509 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.883 5.820 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.758 4.547 10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.287 6.103 11.162 1.00 0.00 H new ATOM 214 N GLU A 18 0.082 3.161 8.665 1.00 0.00 N ATOM 215 CA GLU A 18 -0.810 2.081 9.069 1.00 0.00 C ATOM 216 C GLU A 18 -1.644 1.592 7.889 1.00 0.00 C ATOM 217 O GLU A 18 -2.000 0.416 7.813 1.00 0.00 O ATOM 218 CB GLU A 18 -1.730 2.549 10.199 1.00 0.00 C ATOM 219 CG GLU A 18 -2.394 1.408 10.953 1.00 0.00 C ATOM 220 CD GLU A 18 -3.110 1.876 12.206 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.424 2.164 13.209 1.00 0.00 O ATOM 222 OE2 GLU A 18 -4.356 1.956 12.182 1.00 0.00 O ATOM 0 H GLU A 18 -0.089 4.048 9.138 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.198 1.252 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.153 3.150 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.502 3.197 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.107 0.910 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.640 0.669 11.224 1.00 0.00 H new ATOM 229 N ALA A 19 -1.950 2.502 6.970 1.00 0.00 N ATOM 230 CA ALA A 19 -2.742 2.163 5.793 1.00 0.00 C ATOM 231 C ALA A 19 -1.938 1.309 4.818 1.00 0.00 C ATOM 232 O ALA A 19 -2.465 0.372 4.220 1.00 0.00 O ATOM 233 CB ALA A 19 -3.235 3.428 5.108 1.00 0.00 C ATOM 0 H ALA A 19 -1.662 3.479 7.017 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.603 1.581 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.825 3.161 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.853 4.000 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.381 4.032 4.801 1.00 0.00 H new ATOM 239 N LEU A 20 -0.661 1.640 4.664 1.00 0.00 N ATOM 240 CA LEU A 20 0.216 0.904 3.761 1.00 0.00 C ATOM 241 C LEU A 20 0.694 -0.394 4.404 1.00 0.00 C ATOM 242 O LEU A 20 0.850 -1.412 3.729 1.00 0.00 O ATOM 243 CB LEU A 20 1.419 1.766 3.369 1.00 0.00 C ATOM 244 CG LEU A 20 2.401 1.104 2.401 1.00 0.00 C ATOM 245 CD1 LEU A 20 2.024 1.418 0.962 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.824 1.559 2.692 1.00 0.00 C ATOM 0 H LEU A 20 -0.210 2.413 5.153 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.352 0.656 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.054 2.689 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.957 2.045 4.275 1.00 0.00 H new ATOM 0 HG LEU A 20 2.349 0.024 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.733 0.939 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.021 1.044 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.047 2.497 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.510 1.078 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.890 2.641 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.093 1.284 3.712 1.00 0.00 H new ATOM 258 N LEU A 21 0.926 -0.350 5.711 1.00 0.00 N ATOM 259 CA LEU A 21 1.386 -1.523 6.446 1.00 0.00 C ATOM 260 C LEU A 21 0.299 -2.592 6.502 1.00 0.00 C ATOM 261 O LEU A 21 0.588 -3.787 6.463 1.00 0.00 O ATOM 262 CB LEU A 21 1.804 -1.130 7.864 1.00 0.00 C ATOM 263 CG LEU A 21 2.326 -2.280 8.727 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.627 -2.825 8.161 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.519 -1.820 10.165 1.00 0.00 C ATOM 0 H LEU A 21 0.803 0.485 6.284 1.00 0.00 H new ATOM 0 HA LEU A 21 2.248 -1.935 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.577 -0.364 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.949 -0.678 8.366 1.00 0.00 H new ATOM 0 HG LEU A 21 1.587 -3.081 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.983 -3.642 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.458 -3.192 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.375 -2.032 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.891 -2.650 10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.239 -1.002 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.566 -1.478 10.569 1.00 0.00 H new ATOM 277 N TRP A 22 -0.952 -2.152 6.594 1.00 0.00 N ATOM 278 CA TRP A 22 -2.082 -3.072 6.656 1.00 0.00 C ATOM 279 C TRP A 22 -2.331 -3.720 5.298 1.00 0.00 C ATOM 280 O TRP A 22 -2.796 -4.858 5.218 1.00 0.00 O ATOM 281 CB TRP A 22 -3.340 -2.336 7.121 1.00 0.00 C ATOM 282 CG TRP A 22 -4.480 -3.254 7.441 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.610 -4.044 8.548 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.650 -3.479 6.647 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.789 -4.746 8.490 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.446 -4.416 7.334 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.103 -2.978 5.424 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.668 -4.862 6.835 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.316 -3.422 4.930 1.00 0.00 C ATOM 290 CH2 TRP A 22 -8.087 -4.355 5.635 1.00 0.00 C ATOM 0 H TRP A 22 -1.209 -1.165 6.627 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.841 -3.856 7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.100 -1.744 8.004 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.652 -1.638 6.344 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.891 -4.107 9.351 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.121 -5.406 9.193 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.516 -2.257 4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.263 -5.582 7.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.675 -3.043 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.031 -4.681 5.223 1.00 0.00 H new ATOM 301 N ALA A 23 -2.018 -2.990 4.232 1.00 0.00 N ATOM 302 CA ALA A 23 -2.209 -3.495 2.878 1.00 0.00 C ATOM 303 C ALA A 23 -1.318 -4.704 2.612 1.00 0.00 C ATOM 304 O ALA A 23 -1.677 -5.593 1.840 1.00 0.00 O ATOM 305 CB ALA A 23 -1.930 -2.398 1.862 1.00 0.00 C ATOM 0 H ALA A 23 -1.631 -2.047 4.280 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.247 -3.813 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.076 -2.789 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.612 -1.564 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.902 -2.054 1.972 1.00 0.00 H new ATOM 311 N LEU A 24 -0.156 -4.730 3.255 1.00 0.00 N ATOM 312 CA LEU A 24 0.787 -5.829 3.088 1.00 0.00 C ATOM 313 C LEU A 24 0.416 -7.005 3.985 1.00 0.00 C ATOM 314 O LEU A 24 0.471 -8.161 3.565 1.00 0.00 O ATOM 315 CB LEU A 24 2.209 -5.362 3.402 1.00 0.00 C ATOM 316 CG LEU A 24 2.617 -4.043 2.744 1.00 0.00 C ATOM 317 CD1 LEU A 24 4.065 -3.711 3.066 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.406 -4.111 1.239 1.00 0.00 C ATOM 0 H LEU A 24 0.156 -4.002 3.897 1.00 0.00 H new ATOM 0 HA LEU A 24 0.742 -6.158 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.311 -5.258 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.907 -6.138 3.089 1.00 0.00 H new ATOM 0 HG LEU A 24 1.986 -3.249 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.337 -2.769 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.186 -3.619 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.712 -4.506 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.701 -3.164 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.011 -4.916 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.354 -4.301 1.027 1.00 0.00 H new ATOM 330 N ASN A 25 0.039 -6.703 5.223 1.00 0.00 N ATOM 331 CA ASN A 25 -0.341 -7.736 6.180 1.00 0.00 C ATOM 332 C ASN A 25 -1.533 -8.539 5.670 1.00 0.00 C ATOM 333 O ASN A 25 -1.607 -9.752 5.866 1.00 0.00 O ATOM 334 CB ASN A 25 -0.677 -7.108 7.534 1.00 0.00 C ATOM 335 CG ASN A 25 0.528 -7.033 8.451 1.00 0.00 C ATOM 336 OD1 ASN A 25 0.701 -7.870 9.338 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.369 -6.026 8.244 1.00 0.00 N ATOM 0 H ASN A 25 -0.012 -5.752 5.587 1.00 0.00 H new ATOM 0 HA ASN A 25 0.505 -8.412 6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.074 -6.105 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.462 -7.690 8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.197 -5.924 8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.187 -5.355 7.498 1.00 0.00 H new ATOM 344 N ASP A 26 -2.464 -7.854 5.014 1.00 0.00 N ATOM 345 CA ASP A 26 -3.653 -8.504 4.475 1.00 0.00 C ATOM 346 C ASP A 26 -3.278 -9.530 3.411 1.00 0.00 C ATOM 347 O ASP A 26 -3.958 -10.542 3.244 1.00 0.00 O ATOM 348 CB ASP A 26 -4.605 -7.462 3.884 1.00 0.00 C ATOM 349 CG ASP A 26 -6.059 -7.771 4.183 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.342 -8.286 5.286 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.915 -7.499 3.315 1.00 0.00 O ATOM 0 H ASP A 26 -2.418 -6.850 4.843 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.155 -9.023 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.356 -6.479 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.461 -7.414 2.805 1.00 0.00 H new ATOM 356 N LEU A 27 -2.193 -9.260 2.693 1.00 0.00 N ATOM 357 CA LEU A 27 -1.728 -10.160 1.644 1.00 0.00 C ATOM 358 C LEU A 27 -1.336 -11.515 2.224 1.00 0.00 C ATOM 359 O LEU A 27 -0.744 -11.594 3.300 1.00 0.00 O ATOM 360 CB LEU A 27 -0.537 -9.544 0.906 1.00 0.00 C ATOM 361 CG LEU A 27 -0.854 -8.282 0.104 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.428 -7.586 -0.325 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.709 -8.623 -1.108 1.00 0.00 C ATOM 0 H LEU A 27 -1.620 -8.426 2.818 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.546 -10.310 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.239 -9.308 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.123 -10.291 0.229 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.417 -7.600 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.182 -6.690 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.004 -7.308 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.018 -8.260 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.926 -7.713 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.171 -9.323 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.643 -9.077 -0.778 1.00 0.00 H new ATOM 375 N GLU A 28 -1.668 -12.580 1.501 1.00 0.00 N ATOM 376 CA GLU A 28 -1.350 -13.933 1.943 1.00 0.00 C ATOM 377 C GLU A 28 0.059 -14.328 1.514 1.00 0.00 C ATOM 378 O GLU A 28 0.768 -13.544 0.882 1.00 0.00 O ATOM 379 CB GLU A 28 -2.366 -14.928 1.379 1.00 0.00 C ATOM 380 CG GLU A 28 -3.803 -14.613 1.759 1.00 0.00 C ATOM 381 CD GLU A 28 -4.327 -15.515 2.859 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.126 -16.744 2.764 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.939 -14.993 3.814 1.00 0.00 O ATOM 0 H GLU A 28 -2.157 -12.532 0.607 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.398 -13.954 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.282 -14.944 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.117 -15.928 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.870 -13.575 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.438 -14.713 0.879 1.00 0.00 H new ATOM 390 N GLU A 29 0.458 -15.547 1.860 1.00 0.00 N ATOM 391 CA GLU A 29 1.784 -16.045 1.510 1.00 0.00 C ATOM 392 C GLU A 29 1.928 -16.195 0.000 1.00 0.00 C ATOM 393 O GLU A 29 3.018 -16.036 -0.548 1.00 0.00 O ATOM 394 CB GLU A 29 2.044 -17.388 2.195 1.00 0.00 C ATOM 395 CG GLU A 29 2.324 -17.268 3.684 1.00 0.00 C ATOM 396 CD GLU A 29 1.075 -17.427 4.529 1.00 0.00 C ATOM 397 OE1 GLU A 29 0.317 -16.442 4.659 1.00 0.00 O ATOM 398 OE2 GLU A 29 0.853 -18.537 5.058 1.00 0.00 O ATOM 0 H GLU A 29 -0.117 -16.208 2.382 1.00 0.00 H new ATOM 0 HA GLU A 29 2.520 -15.320 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.179 -18.035 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.892 -17.874 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.053 -18.024 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.774 -16.296 3.888 1.00 0.00 H new ATOM 405 N ASN A 30 0.821 -16.503 -0.669 1.00 0.00 N ATOM 406 CA ASN A 30 0.826 -16.674 -2.117 1.00 0.00 C ATOM 407 C ASN A 30 0.921 -15.327 -2.825 1.00 0.00 C ATOM 408 O ASN A 30 1.733 -15.148 -3.734 1.00 0.00 O ATOM 409 CB ASN A 30 -0.436 -17.413 -2.567 1.00 0.00 C ATOM 410 CG ASN A 30 -0.416 -18.880 -2.183 1.00 0.00 C ATOM 411 OD1 ASN A 30 -0.162 -19.748 -3.017 1.00 0.00 O ATOM 412 ND2 ASN A 30 -0.683 -19.162 -0.913 1.00 0.00 N ATOM 0 H ASN A 30 -0.090 -16.639 -0.231 1.00 0.00 H new ATOM 0 HA ASN A 30 1.701 -17.266 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.310 -16.936 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.539 -17.325 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.683 -20.131 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.888 -18.409 -0.256 1.00 0.00 H new ATOM 419 N SER A 31 0.087 -14.382 -2.405 1.00 0.00 N ATOM 420 CA SER A 31 0.077 -13.051 -3.001 1.00 0.00 C ATOM 421 C SER A 31 1.421 -12.355 -2.802 1.00 0.00 C ATOM 422 O SER A 31 1.989 -11.800 -3.743 1.00 0.00 O ATOM 423 CB SER A 31 -1.043 -12.205 -2.391 1.00 0.00 C ATOM 424 OG SER A 31 -2.307 -12.592 -2.898 1.00 0.00 O ATOM 0 H SER A 31 -0.591 -14.513 -1.654 1.00 0.00 H new ATOM 0 HA SER A 31 -0.100 -13.161 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.034 -12.312 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.867 -11.152 -2.609 1.00 0.00 H new ATOM 0 HG SER A 31 -3.006 -12.038 -2.492 1.00 0.00 H new ATOM 430 N PHE A 32 1.923 -12.390 -1.572 1.00 0.00 N ATOM 431 CA PHE A 32 3.200 -11.763 -1.250 1.00 0.00 C ATOM 432 C PHE A 32 4.346 -12.454 -1.981 1.00 0.00 C ATOM 433 O PHE A 32 5.318 -11.813 -2.380 1.00 0.00 O ATOM 434 CB PHE A 32 3.444 -11.801 0.259 1.00 0.00 C ATOM 435 CG PHE A 32 4.350 -10.707 0.748 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.931 -9.386 0.736 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.620 -10.999 1.218 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.762 -8.378 1.185 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.456 -9.995 1.668 1.00 0.00 C ATOM 440 CZ PHE A 32 6.026 -8.682 1.652 1.00 0.00 C ATOM 0 H PHE A 32 1.466 -12.846 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 32 3.159 -10.724 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.487 -11.727 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.876 -12.766 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.944 -9.142 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.961 -12.024 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.424 -7.352 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.444 -10.236 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.677 -7.895 2.004 1.00 0.00 H new ATOM 450 N LYS A 33 4.227 -13.767 -2.151 1.00 0.00 N ATOM 451 CA LYS A 33 5.254 -14.546 -2.832 1.00 0.00 C ATOM 452 C LYS A 33 5.457 -14.050 -4.261 1.00 0.00 C ATOM 453 O LYS A 33 6.575 -13.725 -4.663 1.00 0.00 O ATOM 454 CB LYS A 33 4.876 -16.029 -2.842 1.00 0.00 C ATOM 455 CG LYS A 33 5.561 -16.838 -1.753 1.00 0.00 C ATOM 456 CD LYS A 33 5.280 -18.324 -1.903 1.00 0.00 C ATOM 457 CE LYS A 33 6.146 -19.153 -0.969 1.00 0.00 C ATOM 458 NZ LYS A 33 7.396 -19.615 -1.634 1.00 0.00 N ATOM 0 H LYS A 33 3.429 -14.313 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 33 6.190 -14.421 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.796 -16.121 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.130 -16.454 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.636 -16.664 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.218 -16.499 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.228 -18.519 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.462 -18.627 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.400 -18.562 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.580 -20.017 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.959 -20.177 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.154 -20.200 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.949 -18.791 -1.944 1.00 0.00 H new ATOM 472 N THR A 34 4.371 -13.996 -5.024 1.00 0.00 N ATOM 473 CA THR A 34 4.430 -13.541 -6.409 1.00 0.00 C ATOM 474 C THR A 34 4.733 -12.048 -6.480 1.00 0.00 C ATOM 475 O THR A 34 5.410 -11.585 -7.397 1.00 0.00 O ATOM 476 CB THR A 34 3.112 -13.841 -7.123 1.00 0.00 C ATOM 477 OG1 THR A 34 2.454 -14.941 -6.519 1.00 0.00 O ATOM 478 CG2 THR A 34 3.285 -14.159 -8.591 1.00 0.00 C ATOM 0 H THR A 34 3.439 -14.262 -4.707 1.00 0.00 H new ATOM 0 HA THR A 34 5.236 -14.080 -6.908 1.00 0.00 H new ATOM 0 HB THR A 34 2.521 -12.929 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.612 -15.117 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.311 -14.362 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.745 -13.309 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.924 -15.035 -8.701 1.00 0.00 H new ATOM 486 N LEU A 35 4.226 -11.300 -5.505 1.00 0.00 N ATOM 487 CA LEU A 35 4.442 -9.858 -5.458 1.00 0.00 C ATOM 488 C LEU A 35 5.915 -9.532 -5.236 1.00 0.00 C ATOM 489 O LEU A 35 6.400 -8.485 -5.666 1.00 0.00 O ATOM 490 CB LEU A 35 3.595 -9.232 -4.347 1.00 0.00 C ATOM 491 CG LEU A 35 3.614 -7.703 -4.303 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.517 -7.130 -5.187 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.459 -7.211 -2.872 1.00 0.00 C ATOM 0 H LEU A 35 3.663 -11.668 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 35 4.139 -9.440 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.564 -9.564 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.944 -9.612 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 35 4.576 -7.359 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.546 -6.041 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.671 -7.456 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.547 -7.482 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.475 -6.121 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.512 -7.566 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.280 -7.593 -2.265 1.00 0.00 H new ATOM 505 N LYS A 36 6.622 -10.432 -4.559 1.00 0.00 N ATOM 506 CA LYS A 36 8.042 -10.237 -4.279 1.00 0.00 C ATOM 507 C LYS A 36 8.832 -10.035 -5.569 1.00 0.00 C ATOM 508 O LYS A 36 9.617 -9.095 -5.687 1.00 0.00 O ATOM 509 CB LYS A 36 8.600 -11.436 -3.509 1.00 0.00 C ATOM 510 CG LYS A 36 8.288 -11.400 -2.021 1.00 0.00 C ATOM 511 CD LYS A 36 9.491 -11.812 -1.188 1.00 0.00 C ATOM 512 CE LYS A 36 9.293 -11.476 0.281 1.00 0.00 C ATOM 513 NZ LYS A 36 10.589 -11.255 0.981 1.00 0.00 N ATOM 0 H LYS A 36 6.236 -11.303 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 36 8.145 -9.340 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.193 -12.353 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.681 -11.474 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.976 -10.395 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.452 -12.066 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.661 -12.883 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.383 -11.308 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.676 -10.582 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.751 -12.286 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.410 -11.028 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.168 -12.117 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.096 -10.465 0.532 1.00 0.00 H new ATOM 527 N PHE A 37 8.621 -10.925 -6.533 1.00 0.00 N ATOM 528 CA PHE A 37 9.313 -10.843 -7.813 1.00 0.00 C ATOM 529 C PHE A 37 8.848 -9.627 -8.609 1.00 0.00 C ATOM 530 O PHE A 37 9.611 -9.048 -9.380 1.00 0.00 O ATOM 531 CB PHE A 37 9.082 -12.121 -8.624 1.00 0.00 C ATOM 532 CG PHE A 37 10.344 -12.718 -9.178 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.004 -12.116 -10.237 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.870 -13.881 -8.638 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.166 -12.664 -10.748 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.031 -14.433 -9.145 1.00 0.00 C ATOM 537 CZ PHE A 37 12.680 -13.824 -10.202 1.00 0.00 C ATOM 0 H PHE A 37 7.976 -11.711 -6.452 1.00 0.00 H new ATOM 0 HA PHE A 37 10.379 -10.735 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.588 -12.859 -7.991 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.402 -11.901 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.607 -11.209 -10.668 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.367 -14.361 -7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.672 -12.185 -11.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.431 -15.340 -8.715 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.587 -14.254 -10.600 1.00 0.00 H new ATOM 547 N HIS A 38 7.590 -9.246 -8.414 1.00 0.00 N ATOM 548 CA HIS A 38 7.020 -8.099 -9.112 1.00 0.00 C ATOM 549 C HIS A 38 7.649 -6.795 -8.628 1.00 0.00 C ATOM 550 O HIS A 38 7.665 -5.798 -9.350 1.00 0.00 O ATOM 551 CB HIS A 38 5.505 -8.054 -8.909 1.00 0.00 C ATOM 552 CG HIS A 38 4.738 -8.797 -9.959 1.00 0.00 C ATOM 553 ND1 HIS A 38 4.457 -8.289 -11.209 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.190 -10.039 -9.928 1.00 0.00 C ATOM 555 CE1 HIS A 38 3.761 -9.216 -11.882 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.573 -10.297 -11.149 1.00 0.00 N ATOM 0 H HIS A 38 6.945 -9.715 -7.778 1.00 0.00 H new ATOM 0 HA HIS A 38 7.235 -8.210 -10.175 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.265 -8.472 -7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.179 -7.014 -8.900 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.227 -10.719 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.401 -9.094 -12.893 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.078 -11.146 -11.421 1.00 0.00 H new ATOM 564 N LEU A 39 8.163 -6.807 -7.401 1.00 0.00 N ATOM 565 CA LEU A 39 8.789 -5.622 -6.822 1.00 0.00 C ATOM 566 C LEU A 39 9.906 -5.098 -7.720 1.00 0.00 C ATOM 567 O LEU A 39 9.998 -3.897 -7.975 1.00 0.00 O ATOM 568 CB LEU A 39 9.346 -5.942 -5.433 1.00 0.00 C ATOM 569 CG LEU A 39 8.290 -6.148 -4.344 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.954 -6.388 -2.997 1.00 0.00 C ATOM 571 CD2 LEU A 39 7.357 -4.949 -4.274 1.00 0.00 C ATOM 0 H LEU A 39 8.158 -7.623 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 39 8.027 -4.848 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.956 -6.843 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.008 -5.131 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 39 7.700 -7.029 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.189 -6.532 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.582 -7.277 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.568 -5.526 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.613 -5.112 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.933 -4.053 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.856 -4.821 -5.233 1.00 0.00 H new ATOM 583 N ARG A 40 10.753 -6.005 -8.194 1.00 0.00 N ATOM 584 CA ARG A 40 11.865 -5.633 -9.062 1.00 0.00 C ATOM 585 C ARG A 40 11.363 -4.961 -10.337 1.00 0.00 C ATOM 586 O ARG A 40 12.063 -4.147 -10.938 1.00 0.00 O ATOM 587 CB ARG A 40 12.698 -6.866 -9.416 1.00 0.00 C ATOM 588 CG ARG A 40 14.120 -6.539 -9.837 1.00 0.00 C ATOM 589 CD ARG A 40 15.055 -7.714 -9.598 1.00 0.00 C ATOM 590 NE ARG A 40 15.065 -8.643 -10.725 1.00 0.00 N ATOM 591 CZ ARG A 40 15.745 -8.436 -11.851 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.469 -7.334 -12.004 1.00 0.00 N ATOM 593 NH2 ARG A 40 15.700 -9.333 -12.827 1.00 0.00 N ATOM 0 H ARG A 40 10.691 -7.003 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 40 12.491 -4.922 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.727 -7.534 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.205 -7.408 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.135 -6.269 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.475 -5.671 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.065 -7.344 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.750 -8.243 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 40 14.519 -9.501 -10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.506 -6.641 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.988 -7.181 -12.869 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.145 -10.181 -12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.221 -9.175 -13.690 1.00 0.00 H new ATOM 607 N ASP A 41 10.147 -5.310 -10.747 1.00 0.00 N ATOM 608 CA ASP A 41 9.554 -4.741 -11.952 1.00 0.00 C ATOM 609 C ASP A 41 9.063 -3.318 -11.699 1.00 0.00 C ATOM 610 O ASP A 41 9.348 -2.406 -12.476 1.00 0.00 O ATOM 611 CB ASP A 41 8.394 -5.614 -12.434 1.00 0.00 C ATOM 612 CG ASP A 41 8.846 -6.692 -13.400 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.534 -6.355 -14.387 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.512 -7.873 -13.170 1.00 0.00 O ATOM 0 H ASP A 41 9.554 -5.984 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 41 10.322 -4.708 -12.724 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.911 -6.079 -11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.647 -4.986 -12.918 1.00 0.00 H new ATOM 619 N VAL A 42 8.322 -3.136 -10.612 1.00 0.00 N ATOM 620 CA VAL A 42 7.790 -1.824 -10.261 1.00 0.00 C ATOM 621 C VAL A 42 8.877 -0.921 -9.687 1.00 0.00 C ATOM 622 O VAL A 42 8.837 0.297 -9.855 1.00 0.00 O ATOM 623 CB VAL A 42 6.643 -1.938 -9.239 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.397 -2.512 -9.894 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.069 -2.789 -8.050 1.00 0.00 C ATOM 0 H VAL A 42 8.076 -3.880 -9.959 1.00 0.00 H new ATOM 0 HA VAL A 42 7.407 -1.384 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 42 6.406 -0.938 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.598 -2.585 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.081 -1.860 -10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.617 -3.504 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.246 -2.858 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.336 -3.788 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.931 -2.331 -7.565 1.00 0.00 H new ATOM 635 N THR A 43 9.848 -1.527 -9.011 1.00 0.00 N ATOM 636 CA THR A 43 10.946 -0.775 -8.413 1.00 0.00 C ATOM 637 C THR A 43 12.294 -1.334 -8.855 1.00 0.00 C ATOM 638 O THR A 43 12.435 -2.536 -9.079 1.00 0.00 O ATOM 639 CB THR A 43 10.842 -0.809 -6.887 1.00 0.00 C ATOM 640 OG1 THR A 43 10.830 -2.143 -6.415 1.00 0.00 O ATOM 641 CG2 THR A 43 9.603 -0.122 -6.356 1.00 0.00 C ATOM 0 H THR A 43 9.897 -2.535 -8.864 1.00 0.00 H new ATOM 0 HA THR A 43 10.873 0.258 -8.753 1.00 0.00 H new ATOM 0 HB THR A 43 11.718 -0.271 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.878 -2.759 -7.175 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.591 -0.183 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.608 0.924 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.715 -0.612 -6.756 1.00 0.00 H new ATOM 649 N GLN A 44 13.283 -0.454 -8.979 1.00 0.00 N ATOM 650 CA GLN A 44 14.620 -0.860 -9.394 1.00 0.00 C ATOM 651 C GLN A 44 15.682 0.039 -8.768 1.00 0.00 C ATOM 652 O GLN A 44 16.738 0.272 -9.357 1.00 0.00 O ATOM 653 CB GLN A 44 14.737 -0.821 -10.919 1.00 0.00 C ATOM 654 CG GLN A 44 14.059 -1.992 -11.610 1.00 0.00 C ATOM 655 CD GLN A 44 14.181 -1.928 -13.120 1.00 0.00 C ATOM 656 OE1 GLN A 44 13.336 -1.345 -13.800 1.00 0.00 O ATOM 657 NE2 GLN A 44 15.238 -2.530 -13.654 1.00 0.00 N ATOM 0 H GLN A 44 13.183 0.545 -8.798 1.00 0.00 H new ATOM 0 HA GLN A 44 14.785 -1.881 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.301 0.108 -11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.792 -0.808 -11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.498 -2.924 -11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.004 -2.010 -11.335 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.914 -3.002 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.374 -2.521 -14.665 1.00 0.00 H new ATOM 666 N PHE A 45 15.395 0.543 -7.572 1.00 0.00 N ATOM 667 CA PHE A 45 16.325 1.415 -6.868 1.00 0.00 C ATOM 668 C PHE A 45 17.578 0.652 -6.452 1.00 0.00 C ATOM 669 O PHE A 45 18.699 1.079 -6.730 1.00 0.00 O ATOM 670 CB PHE A 45 15.653 2.024 -5.635 1.00 0.00 C ATOM 671 CG PHE A 45 16.333 3.264 -5.130 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.033 4.504 -5.672 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.272 3.192 -4.114 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.656 5.648 -5.210 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.898 4.331 -3.648 1.00 0.00 C ATOM 676 CZ PHE A 45 17.591 5.561 -4.196 1.00 0.00 C ATOM 0 H PHE A 45 14.525 0.362 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 45 16.617 2.216 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.617 2.261 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.633 1.281 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.304 4.577 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.517 2.233 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.413 6.608 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.628 4.260 -2.855 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.080 6.453 -3.833 1.00 0.00 H new ATOM 686 N HIS A 46 17.381 -0.481 -5.786 1.00 0.00 N ATOM 687 CA HIS A 46 18.495 -1.306 -5.333 1.00 0.00 C ATOM 688 C HIS A 46 18.002 -2.671 -4.861 1.00 0.00 C ATOM 689 O HIS A 46 18.565 -3.261 -3.938 1.00 0.00 O ATOM 690 CB HIS A 46 19.252 -0.600 -4.205 1.00 0.00 C ATOM 691 CG HIS A 46 20.520 0.056 -4.657 1.00 0.00 C ATOM 692 ND1 HIS A 46 20.888 1.338 -4.311 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.519 -0.419 -5.445 1.00 0.00 C ATOM 694 CE1 HIS A 46 22.070 1.596 -4.886 1.00 0.00 C ATOM 695 NE2 HIS A 46 22.496 0.561 -5.585 1.00 0.00 N ATOM 0 H HIS A 46 16.460 -0.849 -5.548 1.00 0.00 H new ATOM 0 HA HIS A 46 19.172 -1.457 -6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 46 18.602 0.152 -3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.485 -1.325 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 46 21.550 -1.402 -5.892 1.00 0.00 H new ATOM 0 HE1 HIS A 46 22.605 2.529 -4.790 1.00 0.00 H new ATOM 0 HE2 HIS A 46 23.363 0.494 -6.118 1.00 0.00 H new ATOM 703 N LEU A 47 16.949 -3.168 -5.501 1.00 0.00 N ATOM 704 CA LEU A 47 16.380 -4.464 -5.148 1.00 0.00 C ATOM 705 C LEU A 47 16.572 -5.468 -6.281 1.00 0.00 C ATOM 706 O LEU A 47 15.990 -5.324 -7.356 1.00 0.00 O ATOM 707 CB LEU A 47 14.892 -4.320 -4.824 1.00 0.00 C ATOM 708 CG LEU A 47 14.531 -3.113 -3.957 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.143 -2.600 -4.308 1.00 0.00 C ATOM 710 CD2 LEU A 47 14.610 -3.474 -2.481 1.00 0.00 C ATOM 0 H LEU A 47 16.472 -2.693 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 47 16.902 -4.835 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.337 -4.255 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.557 -5.225 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 47 15.251 -2.319 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.903 -1.741 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.120 -2.302 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.410 -3.389 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.350 -2.603 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.913 -4.284 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.624 -3.793 -2.238 1.00 0.00 H new ATOM 722 N ALA A 48 17.391 -6.484 -6.031 1.00 0.00 N ATOM 723 CA ALA A 48 17.658 -7.512 -7.030 1.00 0.00 C ATOM 724 C ALA A 48 18.057 -8.828 -6.370 1.00 0.00 C ATOM 725 O ALA A 48 17.320 -9.812 -6.431 1.00 0.00 O ATOM 726 CB ALA A 48 18.747 -7.048 -7.985 1.00 0.00 C ATOM 0 H ALA A 48 17.881 -6.617 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 48 16.742 -7.682 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.937 -7.825 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.425 -6.137 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.661 -6.849 -7.426 1.00 0.00 H new ATOM 732 N ARG A 49 19.226 -8.836 -5.738 1.00 0.00 N ATOM 733 CA ARG A 49 19.722 -10.031 -5.065 1.00 0.00 C ATOM 734 C ARG A 49 20.316 -9.682 -3.705 1.00 0.00 C ATOM 735 O ARG A 49 21.430 -9.164 -3.617 1.00 0.00 O ATOM 736 CB ARG A 49 20.773 -10.729 -5.931 1.00 0.00 C ATOM 737 CG ARG A 49 20.192 -11.777 -6.866 1.00 0.00 C ATOM 738 CD ARG A 49 21.176 -12.154 -7.962 1.00 0.00 C ATOM 739 NE ARG A 49 21.115 -11.233 -9.094 1.00 0.00 N ATOM 740 CZ ARG A 49 22.024 -11.191 -10.065 1.00 0.00 C ATOM 741 NH1 ARG A 49 23.064 -12.014 -10.046 1.00 0.00 N ATOM 742 NH2 ARG A 49 21.892 -10.323 -11.059 1.00 0.00 N ATOM 0 H ARG A 49 19.847 -8.029 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 49 18.881 -10.707 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 49 21.301 -9.980 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.511 -11.202 -5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.923 -12.666 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.274 -11.397 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.187 -12.161 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.964 -13.166 -8.307 1.00 0.00 H new ATOM 0 HE ARG A 49 20.330 -10.584 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 49 23.170 -12.684 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.757 -11.977 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.094 -9.688 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.588 -10.290 -11.803 1.00 0.00 H new ATOM 756 N GLY A 50 19.566 -9.968 -2.646 1.00 0.00 N ATOM 757 CA GLY A 50 20.035 -9.678 -1.304 1.00 0.00 C ATOM 758 C GLY A 50 19.228 -8.585 -0.631 1.00 0.00 C ATOM 759 O GLY A 50 19.115 -8.553 0.594 1.00 0.00 O ATOM 0 H GLY A 50 18.641 -10.396 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.986 -10.585 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.082 -9.379 -1.345 1.00 0.00 H new ATOM 763 N GLU A 51 18.666 -7.688 -1.434 1.00 0.00 N ATOM 764 CA GLU A 51 17.866 -6.588 -0.909 1.00 0.00 C ATOM 765 C GLU A 51 16.378 -6.923 -0.962 1.00 0.00 C ATOM 766 O GLU A 51 15.621 -6.575 -0.055 1.00 0.00 O ATOM 767 CB GLU A 51 18.140 -5.307 -1.699 1.00 0.00 C ATOM 768 CG GLU A 51 19.362 -4.544 -1.217 1.00 0.00 C ATOM 769 CD GLU A 51 20.658 -5.278 -1.502 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.876 -5.664 -2.669 1.00 0.00 O ATOM 771 OE2 GLU A 51 21.454 -5.466 -0.558 1.00 0.00 O ATOM 0 H GLU A 51 18.750 -7.701 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 51 18.148 -6.432 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.272 -5.560 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.267 -4.657 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.389 -3.567 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.276 -4.368 -0.145 1.00 0.00 H new ATOM 778 N LEU A 52 15.967 -7.599 -2.029 1.00 0.00 N ATOM 779 CA LEU A 52 14.570 -7.981 -2.199 1.00 0.00 C ATOM 780 C LEU A 52 14.133 -8.950 -1.106 1.00 0.00 C ATOM 781 O LEU A 52 13.155 -8.705 -0.399 1.00 0.00 O ATOM 782 CB LEU A 52 14.358 -8.618 -3.575 1.00 0.00 C ATOM 783 CG LEU A 52 12.937 -8.503 -4.129 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.707 -7.124 -4.726 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.683 -9.585 -5.168 1.00 0.00 C ATOM 0 H LEU A 52 16.581 -7.894 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 52 13.962 -7.080 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.046 -8.156 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.624 -9.673 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 52 12.234 -8.642 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.691 -7.061 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.848 -6.366 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.417 -6.955 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.667 -9.489 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.393 -9.476 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.806 -10.566 -4.709 1.00 0.00 H new ATOM 797 N GLU A 53 14.864 -10.052 -0.971 1.00 0.00 N ATOM 798 CA GLU A 53 14.553 -11.057 0.038 1.00 0.00 C ATOM 799 C GLU A 53 14.736 -10.494 1.444 1.00 0.00 C ATOM 800 O GLU A 53 14.042 -10.894 2.378 1.00 0.00 O ATOM 801 CB GLU A 53 15.441 -12.289 -0.151 1.00 0.00 C ATOM 802 CG GLU A 53 16.926 -11.990 -0.045 1.00 0.00 C ATOM 803 CD GLU A 53 17.789 -13.156 -0.487 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.633 -13.605 -1.641 1.00 0.00 O ATOM 805 OE2 GLU A 53 18.621 -13.620 0.322 1.00 0.00 O ATOM 0 H GLU A 53 15.676 -10.271 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 53 13.509 -11.347 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.175 -13.036 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.236 -12.728 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.161 -11.117 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.168 -11.734 0.986 1.00 0.00 H new ATOM 812 N SER A 54 15.675 -9.565 1.585 1.00 0.00 N ATOM 813 CA SER A 54 15.949 -8.946 2.877 1.00 0.00 C ATOM 814 C SER A 54 14.710 -8.241 3.417 1.00 0.00 C ATOM 815 O SER A 54 14.487 -8.193 4.628 1.00 0.00 O ATOM 816 CB SER A 54 17.104 -7.951 2.755 1.00 0.00 C ATOM 817 OG SER A 54 17.265 -7.207 3.951 1.00 0.00 O ATOM 0 H SER A 54 16.259 -9.224 0.821 1.00 0.00 H new ATOM 0 HA SER A 54 16.230 -9.734 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.026 -8.486 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.917 -7.272 1.923 1.00 0.00 H new ATOM 0 HG SER A 54 18.010 -6.579 3.848 1.00 0.00 H new ATOM 823 N LEU A 55 13.905 -7.694 2.512 1.00 0.00 N ATOM 824 CA LEU A 55 12.686 -6.991 2.898 1.00 0.00 C ATOM 825 C LEU A 55 11.718 -7.931 3.609 1.00 0.00 C ATOM 826 O LEU A 55 11.890 -9.149 3.586 1.00 0.00 O ATOM 827 CB LEU A 55 12.014 -6.380 1.667 1.00 0.00 C ATOM 828 CG LEU A 55 12.431 -4.942 1.349 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.055 -4.581 -0.079 1.00 0.00 C ATOM 830 CD2 LEU A 55 11.791 -3.975 2.333 1.00 0.00 C ATOM 0 H LEU A 55 14.074 -7.724 1.507 1.00 0.00 H new ATOM 0 HA LEU A 55 12.959 -6.192 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.235 -7.006 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.934 -6.406 1.811 1.00 0.00 H new ATOM 0 HG LEU A 55 13.514 -4.866 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.359 -3.555 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.560 -5.256 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.976 -4.672 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.097 -2.957 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.706 -4.053 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.111 -4.222 3.345 1.00 0.00 H new ATOM 842 N SER A 56 10.701 -7.355 4.241 1.00 0.00 N ATOM 843 CA SER A 56 9.704 -8.140 4.960 1.00 0.00 C ATOM 844 C SER A 56 8.338 -7.465 4.909 1.00 0.00 C ATOM 845 O SER A 56 8.181 -6.404 4.305 1.00 0.00 O ATOM 846 CB SER A 56 10.133 -8.338 6.414 1.00 0.00 C ATOM 847 OG SER A 56 9.868 -7.180 7.187 1.00 0.00 O ATOM 0 H SER A 56 10.545 -6.347 4.270 1.00 0.00 H new ATOM 0 HA SER A 56 9.626 -9.113 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.605 -9.191 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.197 -8.570 6.454 1.00 0.00 H new ATOM 0 HG SER A 56 10.150 -7.333 8.113 1.00 0.00 H new ATOM 853 N GLN A 57 7.352 -8.087 5.547 1.00 0.00 N ATOM 854 CA GLN A 57 5.999 -7.545 5.575 1.00 0.00 C ATOM 855 C GLN A 57 5.952 -6.237 6.360 1.00 0.00 C ATOM 856 O GLN A 57 5.139 -5.359 6.075 1.00 0.00 O ATOM 857 CB GLN A 57 5.033 -8.562 6.189 1.00 0.00 C ATOM 858 CG GLN A 57 3.859 -8.906 5.287 1.00 0.00 C ATOM 859 CD GLN A 57 3.742 -10.394 5.019 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.477 -10.949 4.202 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.814 -11.048 5.708 1.00 0.00 N ATOM 0 H GLN A 57 7.465 -8.966 6.051 1.00 0.00 H new ATOM 0 HA GLN A 57 5.694 -7.340 4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.580 -9.475 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.653 -8.167 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.937 -8.550 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.967 -8.378 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.227 -10.548 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.688 -12.051 5.570 1.00 0.00 H new ATOM 870 N VAL A 58 6.831 -6.116 7.351 1.00 0.00 N ATOM 871 CA VAL A 58 6.889 -4.916 8.178 1.00 0.00 C ATOM 872 C VAL A 58 7.952 -3.948 7.670 1.00 0.00 C ATOM 873 O VAL A 58 7.797 -2.732 7.772 1.00 0.00 O ATOM 874 CB VAL A 58 7.188 -5.261 9.649 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.046 -4.028 10.527 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.275 -6.377 10.133 1.00 0.00 C ATOM 0 H VAL A 58 7.512 -6.834 7.600 1.00 0.00 H new ATOM 0 HA VAL A 58 5.909 -4.442 8.115 1.00 0.00 H new ATOM 0 HB VAL A 58 8.218 -5.611 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.261 -4.292 11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.747 -3.262 10.195 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.028 -3.645 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.501 -6.607 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.236 -6.059 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.433 -7.266 9.523 1.00 0.00 H new ATOM 886 N ASP A 59 9.033 -4.496 7.124 1.00 0.00 N ATOM 887 CA ASP A 59 10.122 -3.679 6.603 1.00 0.00 C ATOM 888 C ASP A 59 9.738 -3.040 5.272 1.00 0.00 C ATOM 889 O ASP A 59 10.162 -1.928 4.961 1.00 0.00 O ATOM 890 CB ASP A 59 11.384 -4.527 6.430 1.00 0.00 C ATOM 891 CG ASP A 59 12.281 -4.484 7.652 1.00 0.00 C ATOM 892 OD1 ASP A 59 11.763 -4.656 8.775 1.00 0.00 O ATOM 893 OD2 ASP A 59 13.501 -4.278 7.486 1.00 0.00 O ATOM 0 H ASP A 59 9.178 -5.501 7.031 1.00 0.00 H new ATOM 0 HA ASP A 59 10.321 -2.884 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.100 -5.560 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.940 -4.173 5.562 1.00 0.00 H new ATOM 898 N LEU A 60 8.932 -3.751 4.491 1.00 0.00 N ATOM 899 CA LEU A 60 8.490 -3.252 3.193 1.00 0.00 C ATOM 900 C LEU A 60 7.706 -1.953 3.347 1.00 0.00 C ATOM 901 O LEU A 60 8.003 -0.956 2.690 1.00 0.00 O ATOM 902 CB LEU A 60 7.630 -4.300 2.486 1.00 0.00 C ATOM 903 CG LEU A 60 7.136 -3.901 1.095 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.307 -3.741 0.138 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.149 -4.930 0.565 1.00 0.00 C ATOM 0 H LEU A 60 8.571 -4.674 4.733 1.00 0.00 H new ATOM 0 HA LEU A 60 9.375 -3.051 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.205 -5.222 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.766 -4.521 3.112 1.00 0.00 H new ATOM 0 HG LEU A 60 6.624 -2.942 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.936 -3.457 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.978 -2.967 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.848 -4.685 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.808 -4.630 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.636 -5.903 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.295 -4.995 1.239 1.00 0.00 H new ATOM 917 N ALA A 61 6.705 -1.972 4.220 1.00 0.00 N ATOM 918 CA ALA A 61 5.877 -0.795 4.460 1.00 0.00 C ATOM 919 C ALA A 61 6.720 0.384 4.936 1.00 0.00 C ATOM 920 O ALA A 61 6.379 1.542 4.692 1.00 0.00 O ATOM 921 CB ALA A 61 4.791 -1.114 5.477 1.00 0.00 C ATOM 0 H ALA A 61 6.447 -2.789 4.773 1.00 0.00 H new ATOM 0 HA ALA A 61 5.407 -0.514 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.180 -0.227 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.163 -1.920 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.251 -1.423 6.416 1.00 0.00 H new ATOM 927 N SER A 62 7.821 0.083 5.617 1.00 0.00 N ATOM 928 CA SER A 62 8.711 1.119 6.127 1.00 0.00 C ATOM 929 C SER A 62 9.744 1.518 5.078 1.00 0.00 C ATOM 930 O SER A 62 10.193 2.663 5.038 1.00 0.00 O ATOM 931 CB SER A 62 9.418 0.635 7.395 1.00 0.00 C ATOM 932 OG SER A 62 8.545 0.666 8.510 1.00 0.00 O ATOM 0 H SER A 62 8.118 -0.870 5.828 1.00 0.00 H new ATOM 0 HA SER A 62 8.106 1.994 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.785 -0.380 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.287 1.262 7.592 1.00 0.00 H new ATOM 0 HG SER A 62 9.021 0.350 9.307 1.00 0.00 H new ATOM 938 N LYS A 63 10.116 0.566 4.228 1.00 0.00 N ATOM 939 CA LYS A 63 11.096 0.819 3.178 1.00 0.00 C ATOM 940 C LYS A 63 10.510 1.713 2.088 1.00 0.00 C ATOM 941 O LYS A 63 11.161 2.647 1.622 1.00 0.00 O ATOM 942 CB LYS A 63 11.577 -0.502 2.572 1.00 0.00 C ATOM 943 CG LYS A 63 13.006 -0.859 2.949 1.00 0.00 C ATOM 944 CD LYS A 63 13.966 -0.616 1.794 1.00 0.00 C ATOM 945 CE LYS A 63 15.312 -0.111 2.287 1.00 0.00 C ATOM 946 NZ LYS A 63 16.367 -0.234 1.242 1.00 0.00 N ATOM 0 H LYS A 63 9.754 -0.387 4.246 1.00 0.00 H new ATOM 0 HA LYS A 63 11.946 1.335 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.913 -1.304 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.500 -0.444 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.315 -0.267 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.053 -1.906 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.106 -1.541 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.533 0.110 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.220 0.932 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.609 -0.674 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.270 0.121 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.473 -1.233 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.096 0.324 0.407 1.00 0.00 H new ATOM 960 N LEU A 64 9.278 1.419 1.689 1.00 0.00 N ATOM 961 CA LEU A 64 8.605 2.195 0.653 1.00 0.00 C ATOM 962 C LEU A 64 8.474 3.658 1.066 1.00 0.00 C ATOM 963 O LEU A 64 8.483 4.555 0.221 1.00 0.00 O ATOM 964 CB LEU A 64 7.221 1.610 0.365 1.00 0.00 C ATOM 965 CG LEU A 64 7.223 0.184 -0.188 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.799 -0.313 -0.388 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.000 0.121 -1.494 1.00 0.00 C ATOM 0 H LEU A 64 8.725 0.650 2.066 1.00 0.00 H new ATOM 0 HA LEU A 64 9.210 2.144 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.638 1.625 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.710 2.259 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 64 7.714 -0.466 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.820 -1.329 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.273 -0.305 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.282 0.338 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.991 -0.901 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.537 0.784 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.029 0.435 -1.320 1.00 0.00 H new ATOM 979 N ILE A 65 8.353 3.893 2.368 1.00 0.00 N ATOM 980 CA ILE A 65 8.220 5.247 2.891 1.00 0.00 C ATOM 981 C ILE A 65 9.584 5.904 3.071 1.00 0.00 C ATOM 982 O ILE A 65 9.752 7.094 2.803 1.00 0.00 O ATOM 983 CB ILE A 65 7.476 5.259 4.239 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.184 4.446 4.141 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.177 6.688 4.669 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.574 4.115 5.486 1.00 0.00 C ATOM 0 H ILE A 65 8.344 3.163 3.080 1.00 0.00 H new ATOM 0 HA ILE A 65 7.641 5.812 2.160 1.00 0.00 H new ATOM 0 HB ILE A 65 8.116 4.800 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.458 5.003 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.388 3.519 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.651 6.678 5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.111 7.239 4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.554 7.172 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.661 3.538 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.283 3.531 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.338 5.038 6.016 1.00 0.00 H new ATOM 998 N SER A 66 10.557 5.123 3.526 1.00 0.00 N ATOM 999 CA SER A 66 11.907 5.629 3.744 1.00 0.00 C ATOM 1000 C SER A 66 12.592 5.942 2.416 1.00 0.00 C ATOM 1001 O SER A 66 13.425 6.844 2.334 1.00 0.00 O ATOM 1002 CB SER A 66 12.736 4.611 4.530 1.00 0.00 C ATOM 1003 OG SER A 66 13.705 5.257 5.338 1.00 0.00 O ATOM 0 H SER A 66 10.436 4.136 3.751 1.00 0.00 H new ATOM 0 HA SER A 66 11.833 6.551 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.079 4.008 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.231 3.929 3.839 1.00 0.00 H new ATOM 0 HG SER A 66 14.220 4.585 5.831 1.00 0.00 H new ATOM 1009 N MET A 67 12.234 5.190 1.380 1.00 0.00 N ATOM 1010 CA MET A 67 12.814 5.388 0.057 1.00 0.00 C ATOM 1011 C MET A 67 12.140 6.550 -0.666 1.00 0.00 C ATOM 1012 O MET A 67 12.805 7.371 -1.296 1.00 0.00 O ATOM 1013 CB MET A 67 12.687 4.111 -0.775 1.00 0.00 C ATOM 1014 CG MET A 67 13.665 3.020 -0.370 1.00 0.00 C ATOM 1015 SD MET A 67 14.323 2.116 -1.785 1.00 0.00 S ATOM 1016 CE MET A 67 12.809 1.550 -2.558 1.00 0.00 C ATOM 0 H MET A 67 11.546 4.439 1.431 1.00 0.00 H new ATOM 0 HA MET A 67 13.870 5.627 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.671 3.728 -0.684 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.843 4.355 -1.826 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.489 3.465 0.187 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.166 2.322 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.906 0.497 -2.820 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.977 1.676 -1.865 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.621 2.133 -3.460 1.00 0.00 H new ATOM 1026 N TYR A 68 10.816 6.611 -0.571 1.00 0.00 N ATOM 1027 CA TYR A 68 10.051 7.672 -1.218 1.00 0.00 C ATOM 1028 C TYR A 68 9.227 8.450 -0.196 1.00 0.00 C ATOM 1029 O TYR A 68 9.479 9.629 0.052 1.00 0.00 O ATOM 1030 CB TYR A 68 9.133 7.086 -2.291 1.00 0.00 C ATOM 1031 CG TYR A 68 9.813 6.072 -3.183 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.612 6.477 -4.245 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.658 4.709 -2.961 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.235 5.552 -5.062 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.278 3.779 -3.773 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.065 4.206 -4.821 1.00 0.00 C ATOM 1037 OH TYR A 68 11.684 3.282 -5.632 1.00 0.00 O ATOM 0 H TYR A 68 10.250 5.939 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 68 10.755 8.358 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.277 6.615 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.745 7.897 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 68 10.749 7.531 -4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.043 4.371 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.852 5.883 -5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.147 2.723 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 68 11.463 2.378 -5.326 1.00 0.00 H new ATOM 1047 N GLY A 69 8.240 7.782 0.393 1.00 0.00 N ATOM 1048 CA GLY A 69 7.394 8.426 1.380 1.00 0.00 C ATOM 1049 C GLY A 69 6.083 7.694 1.588 1.00 0.00 C ATOM 1050 O GLY A 69 5.765 6.758 0.855 1.00 0.00 O ATOM 0 H GLY A 69 8.011 6.806 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.928 8.485 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.189 9.449 1.066 1.00 0.00 H new ATOM 1054 N ALA A 70 5.322 8.121 2.590 1.00 0.00 N ATOM 1055 CA ALA A 70 4.039 7.499 2.893 1.00 0.00 C ATOM 1056 C ALA A 70 3.019 7.778 1.794 1.00 0.00 C ATOM 1057 O ALA A 70 2.132 6.964 1.534 1.00 0.00 O ATOM 1058 CB ALA A 70 3.519 7.991 4.235 1.00 0.00 C ATOM 0 H ALA A 70 5.572 8.895 3.206 1.00 0.00 H new ATOM 0 HA ALA A 70 4.190 6.421 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.560 7.519 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.233 7.735 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.391 9.073 4.201 1.00 0.00 H new ATOM 1064 N GLN A 71 3.150 8.934 1.152 1.00 0.00 N ATOM 1065 CA GLN A 71 2.239 9.320 0.080 1.00 0.00 C ATOM 1066 C GLN A 71 2.627 8.649 -1.234 1.00 0.00 C ATOM 1067 O GLN A 71 1.765 8.248 -2.015 1.00 0.00 O ATOM 1068 CB GLN A 71 2.238 10.840 -0.093 1.00 0.00 C ATOM 1069 CG GLN A 71 1.752 11.591 1.136 1.00 0.00 C ATOM 1070 CD GLN A 71 1.104 12.918 0.790 1.00 0.00 C ATOM 1071 OE1 GLN A 71 1.616 13.981 1.140 1.00 0.00 O ATOM 1072 NE2 GLN A 71 -0.028 12.860 0.099 1.00 0.00 N ATOM 0 H GLN A 71 3.877 9.620 1.355 1.00 0.00 H new ATOM 0 HA GLN A 71 1.237 8.990 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.248 11.171 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.606 11.101 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.036 10.971 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.593 11.766 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.416 11.956 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.510 13.720 -0.163 1.00 0.00 H new ATOM 1081 N GLU A 72 3.929 8.531 -1.470 1.00 0.00 N ATOM 1082 CA GLU A 72 4.431 7.909 -2.691 1.00 0.00 C ATOM 1083 C GLU A 72 4.413 6.387 -2.574 1.00 0.00 C ATOM 1084 O GLU A 72 4.177 5.682 -3.554 1.00 0.00 O ATOM 1085 CB GLU A 72 5.851 8.397 -2.990 1.00 0.00 C ATOM 1086 CG GLU A 72 5.990 9.064 -4.349 1.00 0.00 C ATOM 1087 CD GLU A 72 6.188 10.564 -4.244 1.00 0.00 C ATOM 1088 OE1 GLU A 72 6.796 11.016 -3.251 1.00 0.00 O ATOM 1089 OE2 GLU A 72 5.734 11.288 -5.156 1.00 0.00 O ATOM 0 H GLU A 72 4.656 8.857 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 72 3.776 8.198 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.155 9.101 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.536 7.551 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.835 8.626 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.099 8.859 -4.943 1.00 0.00 H new ATOM 1096 N ALA A 73 4.665 5.888 -1.367 1.00 0.00 N ATOM 1097 CA ALA A 73 4.679 4.450 -1.122 1.00 0.00 C ATOM 1098 C ALA A 73 3.337 3.819 -1.477 1.00 0.00 C ATOM 1099 O ALA A 73 3.278 2.826 -2.202 1.00 0.00 O ATOM 1100 CB ALA A 73 5.030 4.166 0.331 1.00 0.00 C ATOM 0 H ALA A 73 4.862 6.458 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 73 5.440 4.005 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.037 3.089 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.016 4.575 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.289 4.631 0.982 1.00 0.00 H new ATOM 1106 N VAL A 74 2.260 4.401 -0.959 1.00 0.00 N ATOM 1107 CA VAL A 74 0.918 3.895 -1.221 1.00 0.00 C ATOM 1108 C VAL A 74 0.607 3.909 -2.714 1.00 0.00 C ATOM 1109 O VAL A 74 -0.157 3.078 -3.206 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.149 4.721 -0.476 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.528 4.096 -0.641 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.212 4.859 0.996 1.00 0.00 C ATOM 0 H VAL A 74 2.291 5.223 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 74 0.890 2.868 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.177 5.719 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.265 4.695 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.787 4.060 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.520 3.084 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.553 5.445 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.273 3.870 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.175 5.361 1.089 1.00 0.00 H new ATOM 1122 N ARG A 75 1.202 4.858 -3.429 1.00 0.00 N ATOM 1123 CA ARG A 75 0.987 4.981 -4.866 1.00 0.00 C ATOM 1124 C ARG A 75 1.687 3.855 -5.619 1.00 0.00 C ATOM 1125 O ARG A 75 1.156 3.321 -6.592 1.00 0.00 O ATOM 1126 CB ARG A 75 1.494 6.335 -5.363 1.00 0.00 C ATOM 1127 CG ARG A 75 0.863 6.776 -6.675 1.00 0.00 C ATOM 1128 CD ARG A 75 1.111 8.251 -6.944 1.00 0.00 C ATOM 1129 NE ARG A 75 0.854 8.604 -8.338 1.00 0.00 N ATOM 1130 CZ ARG A 75 1.704 8.360 -9.333 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.865 7.765 -9.092 1.00 0.00 N ATOM 1132 NH2 ARG A 75 1.391 8.712 -10.573 1.00 0.00 N ATOM 0 H ARG A 75 1.837 5.553 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.084 4.909 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.296 7.090 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.576 6.285 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.270 6.182 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.210 6.586 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.473 8.850 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.143 8.497 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.028 9.064 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.110 7.492 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.512 7.581 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.499 9.169 -10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.042 8.525 -11.336 1.00 0.00 H new ATOM 1146 N VAL A 76 2.884 3.499 -5.163 1.00 0.00 N ATOM 1147 CA VAL A 76 3.658 2.436 -5.795 1.00 0.00 C ATOM 1148 C VAL A 76 2.931 1.099 -5.705 1.00 0.00 C ATOM 1149 O VAL A 76 2.843 0.361 -6.687 1.00 0.00 O ATOM 1150 CB VAL A 76 5.050 2.294 -5.149 1.00 0.00 C ATOM 1151 CG1 VAL A 76 5.911 1.326 -5.945 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.725 3.652 -5.034 1.00 0.00 C ATOM 0 H VAL A 76 3.339 3.931 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 76 3.778 2.712 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 76 4.926 1.890 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.890 1.238 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.431 0.348 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.030 1.697 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.707 3.533 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.839 4.087 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.114 4.311 -4.417 1.00 0.00 H new ATOM 1162 N VAL A 77 2.410 0.792 -4.521 1.00 0.00 N ATOM 1163 CA VAL A 77 1.691 -0.457 -4.303 1.00 0.00 C ATOM 1164 C VAL A 77 0.484 -0.566 -5.229 1.00 0.00 C ATOM 1165 O VAL A 77 0.181 -1.640 -5.746 1.00 0.00 O ATOM 1166 CB VAL A 77 1.217 -0.585 -2.843 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.647 -1.971 -2.585 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.358 -0.282 -1.884 1.00 0.00 C ATOM 0 H VAL A 77 2.473 1.392 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 77 2.388 -1.265 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 77 0.425 0.144 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.318 -2.042 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.201 -2.145 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.415 -2.721 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.005 -0.377 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.173 -0.985 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.715 0.734 -2.052 1.00 0.00 H new ATOM 1178 N SER A 78 -0.202 0.554 -5.433 1.00 0.00 N ATOM 1179 CA SER A 78 -1.376 0.586 -6.297 1.00 0.00 C ATOM 1180 C SER A 78 -1.018 0.162 -7.717 1.00 0.00 C ATOM 1181 O SER A 78 -1.840 -0.418 -8.428 1.00 0.00 O ATOM 1182 CB SER A 78 -1.989 1.987 -6.310 1.00 0.00 C ATOM 1183 OG SER A 78 -3.279 1.975 -6.894 1.00 0.00 O ATOM 0 H SER A 78 0.035 1.452 -5.011 1.00 0.00 H new ATOM 0 HA SER A 78 -2.107 -0.118 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.052 2.369 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.341 2.665 -6.866 1.00 0.00 H new ATOM 0 HG SER A 78 -3.649 2.882 -6.889 1.00 0.00 H new ATOM 1189 N ARG A 79 0.212 0.454 -8.125 1.00 0.00 N ATOM 1190 CA ARG A 79 0.679 0.102 -9.461 1.00 0.00 C ATOM 1191 C ARG A 79 1.072 -1.370 -9.531 1.00 0.00 C ATOM 1192 O ARG A 79 0.917 -2.015 -10.568 1.00 0.00 O ATOM 1193 CB ARG A 79 1.869 0.980 -9.856 1.00 0.00 C ATOM 1194 CG ARG A 79 1.475 2.385 -10.279 1.00 0.00 C ATOM 1195 CD ARG A 79 2.688 3.201 -10.693 1.00 0.00 C ATOM 1196 NE ARG A 79 2.313 4.403 -11.433 1.00 0.00 N ATOM 1197 CZ ARG A 79 3.129 5.436 -11.634 1.00 0.00 C ATOM 1198 NH1 ARG A 79 4.365 5.418 -11.151 1.00 0.00 N ATOM 1199 NH2 ARG A 79 2.708 6.490 -12.319 1.00 0.00 N ATOM 0 H ARG A 79 0.904 0.934 -7.549 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.139 0.274 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.558 1.043 -9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.407 0.501 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.770 2.332 -11.109 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.963 2.884 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.255 3.484 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.345 2.587 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 79 1.370 4.454 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.694 4.610 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.986 6.212 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.759 6.510 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.333 7.281 -12.473 1.00 0.00 H new ATOM 1213 N SER A 80 1.581 -1.895 -8.422 1.00 0.00 N ATOM 1214 CA SER A 80 1.997 -3.291 -8.358 1.00 0.00 C ATOM 1215 C SER A 80 0.790 -4.212 -8.195 1.00 0.00 C ATOM 1216 O SER A 80 0.783 -5.335 -8.695 1.00 0.00 O ATOM 1217 CB SER A 80 2.973 -3.502 -7.200 1.00 0.00 C ATOM 1218 OG SER A 80 2.359 -3.211 -5.955 1.00 0.00 O ATOM 0 H SER A 80 1.715 -1.375 -7.555 1.00 0.00 H new ATOM 0 HA SER A 80 2.497 -3.538 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.327 -4.533 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.847 -2.865 -7.336 1.00 0.00 H new ATOM 0 HG SER A 80 1.518 -2.733 -6.109 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.227 -3.726 -7.492 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.438 -4.505 -7.262 1.00 0.00 C ATOM 1226 C LEU A 81 -2.213 -4.700 -8.561 1.00 0.00 C ATOM 1227 O LEU A 81 -2.801 -5.757 -8.792 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.325 -3.813 -6.225 1.00 0.00 C ATOM 1229 CG LEU A 81 -1.767 -3.804 -4.800 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -2.554 -2.841 -3.925 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -1.794 -5.206 -4.210 1.00 0.00 C ATOM 0 H LEU A 81 -0.237 -2.797 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.144 -5.484 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.491 -2.783 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.298 -4.304 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.732 -3.466 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.143 -2.848 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.485 -1.835 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.599 -3.149 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.394 -5.182 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.821 -5.571 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.187 -5.871 -4.824 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.211 -3.675 -9.407 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.914 -3.734 -10.682 1.00 0.00 C ATOM 1245 C LEU A 82 -2.370 -4.865 -11.550 1.00 0.00 C ATOM 1246 O LEU A 82 -3.133 -5.636 -12.132 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.786 -2.401 -11.422 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.661 -1.271 -10.875 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.321 0.044 -11.559 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.134 -1.604 -11.056 1.00 0.00 C ATOM 0 H LEU A 82 -1.730 -2.793 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.967 -3.929 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.744 -2.082 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.037 -2.559 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.462 -1.164 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.953 0.837 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.274 0.288 -11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.492 -0.049 -12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.742 -0.790 -10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.349 -1.737 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.368 -2.524 -10.520 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.047 -4.958 -11.632 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.400 -5.993 -12.428 1.00 0.00 C ATOM 1264 C ALA A 83 -0.764 -7.383 -11.918 1.00 0.00 C ATOM 1265 O ALA A 83 -0.855 -8.337 -12.692 1.00 0.00 O ATOM 1266 CB ALA A 83 1.109 -5.803 -12.417 1.00 0.00 C ATOM 0 H ALA A 83 -0.402 -4.328 -11.156 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.757 -5.905 -13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.578 -6.584 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.356 -4.827 -12.835 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.476 -5.862 -11.392 1.00 0.00 H new ATOM 1272 N MET A 84 -0.972 -7.492 -10.609 1.00 0.00 N ATOM 1273 CA MET A 84 -1.327 -8.766 -9.994 1.00 0.00 C ATOM 1274 C MET A 84 -2.828 -9.038 -10.099 1.00 0.00 C ATOM 1275 O MET A 84 -3.313 -10.068 -9.631 1.00 0.00 O ATOM 1276 CB MET A 84 -0.899 -8.780 -8.525 1.00 0.00 C ATOM 1277 CG MET A 84 0.609 -8.791 -8.332 1.00 0.00 C ATOM 1278 SD MET A 84 1.252 -10.436 -7.969 1.00 0.00 S ATOM 1279 CE MET A 84 0.371 -10.818 -6.457 1.00 0.00 C ATOM 0 H MET A 84 -0.901 -6.713 -9.954 1.00 0.00 H new ATOM 0 HA MET A 84 -0.801 -9.554 -10.533 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.315 -7.905 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.326 -9.657 -8.039 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.089 -8.408 -9.233 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.872 -8.115 -7.519 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.854 -11.657 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.382 -9.948 -5.800 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.660 -11.081 -6.693 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.563 -8.111 -10.712 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.005 -8.261 -10.871 1.00 0.00 C ATOM 1291 C ASN A 85 -5.703 -8.272 -9.514 1.00 0.00 C ATOM 1292 O ASN A 85 -6.243 -9.293 -9.089 1.00 0.00 O ATOM 1293 CB ASN A 85 -5.326 -9.547 -11.636 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.690 -9.501 -12.297 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -7.012 -8.556 -13.017 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -7.500 -10.525 -12.054 1.00 0.00 N ATOM 0 H ASN A 85 -3.182 -7.250 -11.105 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.373 -7.408 -11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.563 -9.715 -12.396 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.286 -10.394 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.431 -10.549 -12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.191 -11.287 -11.451 1.00 0.00 H new ATOM 1303 N LEU A 86 -5.688 -7.128 -8.838 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.319 -7.004 -7.530 1.00 0.00 C ATOM 1305 C LEU A 86 -6.864 -5.593 -7.321 1.00 0.00 C ATOM 1306 O LEU A 86 -6.118 -4.615 -7.376 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.318 -7.346 -6.424 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.780 -8.777 -6.459 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.567 -8.914 -5.554 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.864 -9.765 -6.054 1.00 0.00 C ATOM 0 H LEU A 86 -5.245 -6.273 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.152 -7.706 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.477 -6.656 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.794 -7.176 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.473 -9.004 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.198 -9.939 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.784 -8.234 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.847 -8.667 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.463 -10.778 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.203 -9.539 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.704 -9.686 -6.744 1.00 0.00 H new ATOM 1322 N MET A 87 -8.167 -5.498 -7.084 1.00 0.00 N ATOM 1323 CA MET A 87 -8.813 -4.208 -6.868 1.00 0.00 C ATOM 1324 C MET A 87 -9.152 -3.998 -5.394 1.00 0.00 C ATOM 1325 O MET A 87 -9.357 -2.868 -4.951 1.00 0.00 O ATOM 1326 CB MET A 87 -10.084 -4.106 -7.714 1.00 0.00 C ATOM 1327 CG MET A 87 -9.823 -3.723 -9.161 1.00 0.00 C ATOM 1328 SD MET A 87 -10.198 -1.991 -9.503 1.00 0.00 S ATOM 1329 CE MET A 87 -9.366 -1.189 -8.135 1.00 0.00 C ATOM 0 H MET A 87 -8.797 -6.299 -7.036 1.00 0.00 H new ATOM 0 HA MET A 87 -8.114 -3.428 -7.171 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.605 -5.063 -7.689 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.750 -3.369 -7.266 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.778 -3.918 -9.401 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.424 -4.356 -9.814 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.521 -0.112 -8.196 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.771 -1.561 -7.194 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.299 -1.405 -8.181 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.212 -5.092 -4.637 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.528 -5.024 -3.214 1.00 0.00 C ATOM 1341 C GLU A 88 -8.599 -4.053 -2.489 1.00 0.00 C ATOM 1342 O GLU A 88 -9.049 -3.071 -1.899 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.428 -6.413 -2.582 1.00 0.00 C ATOM 1344 CG GLU A 88 -10.767 -7.124 -2.460 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.478 -6.807 -1.160 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -10.805 -6.355 -0.210 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -12.709 -7.009 -1.092 1.00 0.00 O ATOM 0 H GLU A 88 -9.046 -6.036 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.550 -4.658 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.753 -7.027 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.983 -6.321 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.404 -6.838 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.611 -8.200 -2.531 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.301 -4.335 -2.539 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.310 -3.487 -1.886 1.00 0.00 C ATOM 1356 C LEU A 89 -6.233 -2.120 -2.558 1.00 0.00 C ATOM 1357 O LEU A 89 -6.033 -1.102 -1.896 1.00 0.00 O ATOM 1358 CB LEU A 89 -4.936 -4.160 -1.912 1.00 0.00 C ATOM 1359 CG LEU A 89 -4.728 -5.247 -0.854 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.307 -5.785 -0.917 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.034 -4.705 0.533 1.00 0.00 C ATOM 0 H LEU A 89 -6.911 -5.143 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.618 -3.344 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.782 -4.599 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.171 -3.395 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.415 -6.067 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.176 -6.557 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.123 -6.211 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.602 -4.974 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.881 -5.491 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.371 -3.868 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.070 -4.367 0.571 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.391 -2.105 -3.877 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.339 -0.863 -4.639 1.00 0.00 C ATOM 1375 C VAL A 90 -7.519 0.042 -4.294 1.00 0.00 C ATOM 1376 O VAL A 90 -7.416 1.267 -4.367 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.337 -1.131 -6.157 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.152 0.165 -6.933 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.255 -2.137 -6.519 1.00 0.00 C ATOM 0 H VAL A 90 -6.556 -2.939 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.409 -0.364 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.303 -1.554 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.154 -0.048 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.967 0.849 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.202 0.623 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.268 -2.314 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.281 -1.744 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.440 -3.075 -5.995 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.637 -0.569 -3.918 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.835 0.183 -3.560 1.00 0.00 C ATOM 1391 C ASP A 91 -9.616 0.976 -2.276 1.00 0.00 C ATOM 1392 O ASP A 91 -10.211 2.037 -2.082 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.026 -0.765 -3.397 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.043 -0.612 -4.512 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.455 0.534 -4.785 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -12.427 -1.640 -5.108 1.00 0.00 O ATOM 0 H ASP A 91 -8.739 -1.582 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.049 0.886 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.667 -1.794 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.510 -0.575 -2.439 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.763 0.456 -1.401 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.469 1.116 -0.136 1.00 0.00 C ATOM 1403 C TYR A 92 -7.312 2.099 -0.288 1.00 0.00 C ATOM 1404 O TYR A 92 -7.310 3.171 0.319 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.134 0.081 0.940 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.868 0.684 2.300 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.876 1.330 3.004 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.607 0.609 2.880 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.637 1.883 4.248 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.359 1.159 4.123 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.377 1.795 4.803 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.134 2.345 6.041 1.00 0.00 O ATOM 0 H TYR A 92 -8.263 -0.421 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.357 1.671 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.959 -0.626 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.258 -0.486 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.863 1.401 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.808 0.112 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.432 2.381 4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.374 1.091 4.560 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.197 2.195 6.287 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.329 1.727 -1.101 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.165 2.575 -1.333 1.00 0.00 C ATOM 1424 C LEU A 93 -5.493 3.701 -2.309 1.00 0.00 C ATOM 1425 O LEU A 93 -4.840 4.745 -2.305 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.000 1.741 -1.870 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.573 0.575 -0.976 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.560 -0.303 -1.694 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.000 1.091 0.335 1.00 0.00 C ATOM 0 H LEU A 93 -6.315 0.844 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.877 3.020 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.276 1.347 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.142 2.397 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.453 -0.028 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.267 -1.127 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.005 -0.701 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.681 0.289 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.702 0.248 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.131 1.717 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.756 1.678 0.856 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.504 3.485 -3.145 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.916 4.483 -4.127 1.00 0.00 C ATOM 1443 C ASN A 94 -7.183 5.832 -3.462 1.00 0.00 C ATOM 1444 O ASN A 94 -7.027 6.883 -4.084 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.166 4.009 -4.871 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.862 3.565 -6.288 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -8.439 2.440 -6.692 1.00 0.00 O flip ATOM 1448 ND2 ASN A 94 -7.115 4.225 -7.012 1.00 0.00 N flip ATOM 0 H ASN A 94 -7.054 2.626 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.102 4.610 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.620 3.183 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.899 4.816 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.693 5.084 -6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.919 3.912 -7.963 1.00 0.00 H new ATOM 1455 N GLN A 95 -7.587 5.794 -2.196 1.00 0.00 N ATOM 1456 CA GLN A 95 -7.876 7.013 -1.450 1.00 0.00 C ATOM 1457 C GLN A 95 -6.639 7.502 -0.700 1.00 0.00 C ATOM 1458 O GLN A 95 -6.477 8.700 -0.466 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.021 6.773 -0.464 1.00 0.00 C ATOM 1460 CG GLN A 95 -10.393 7.083 -1.039 1.00 0.00 C ATOM 1461 CD GLN A 95 -10.850 8.494 -0.727 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -11.696 8.707 0.143 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -10.293 9.468 -1.436 1.00 0.00 N ATOM 0 H GLN A 95 -7.721 4.933 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.173 7.782 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.999 5.732 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -8.861 7.386 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.370 6.943 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.119 6.374 -0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.596 9.247 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.562 10.438 -1.270 1.00 0.00 H new ATOM 1472 N VAL A 96 -5.771 6.567 -0.326 1.00 0.00 N ATOM 1473 CA VAL A 96 -4.551 6.906 0.398 1.00 0.00 C ATOM 1474 C VAL A 96 -3.482 7.446 -0.544 1.00 0.00 C ATOM 1475 O VAL A 96 -2.668 8.285 -0.159 1.00 0.00 O ATOM 1476 CB VAL A 96 -3.988 5.684 1.148 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -2.838 6.097 2.055 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -5.084 4.996 1.947 1.00 0.00 C ATOM 0 H VAL A 96 -5.889 5.571 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.816 7.678 1.120 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.606 4.975 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.453 5.221 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.043 6.541 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.193 6.826 2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.667 4.135 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.499 5.695 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.872 4.664 1.272 1.00 0.00 H new