USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 70 HIS : no HD1:sc= -0.482 K(o=-1.1,f=0.1) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.618 USER MOD Set 2.1: A 17 MET CE :methyl 173:sc= -0.913 (180deg=-1.23) USER MOD Set 2.2: A 62 TYR OH : rot 128:sc= -4.6! USER MOD Set 3.1: A 18 MET CE :methyl -172:sc= -0.449 (180deg=-0.546) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -2.29! USER MOD Single : A 8 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.5) USER MOD Single : A 11 GLN : amide:sc= -4.39! K(o=-4.4!,f=-0.16) USER MOD Single : A 15 SER OG : rot -89:sc= 1.25 USER MOD Single : A 28 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.3) USER MOD Single : A 30 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.00075) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -100:sc= 0.0254 USER MOD Single : A 56 THR OG1 : rot -20:sc= 0.561 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -158:sc= -0.0799 (180deg=-0.453) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.23) USER MOD Single : A 73 GLN : amide:sc= 0.573 K(o=0.57,f=-0.085) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.155 -6.624 6.213 1.00 0.00 N ATOM 93 CA TYR A 7 6.942 -5.914 6.592 1.00 0.00 C ATOM 94 C TYR A 7 5.800 -6.854 6.916 1.00 0.00 C ATOM 95 O TYR A 7 5.806 -8.034 6.549 1.00 0.00 O ATOM 96 CB TYR A 7 6.529 -4.935 5.489 1.00 0.00 C ATOM 97 CG TYR A 7 6.099 -5.577 4.194 1.00 0.00 C ATOM 98 CD1 TYR A 7 4.780 -5.936 3.990 1.00 0.00 C ATOM 99 CD2 TYR A 7 7.004 -5.797 3.170 1.00 0.00 C ATOM 100 CE1 TYR A 7 4.372 -6.499 2.803 1.00 0.00 C ATOM 101 CE2 TYR A 7 6.606 -6.363 1.978 1.00 0.00 C ATOM 102 CZ TYR A 7 5.290 -6.711 1.800 1.00 0.00 C ATOM 103 OH TYR A 7 4.890 -7.272 0.615 1.00 0.00 O ATOM 0 HA TYR A 7 7.168 -5.357 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.711 -4.318 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.366 -4.267 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.057 -5.772 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.039 -5.521 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.337 -6.773 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.324 -6.532 1.189 1.00 0.00 H new ATOM 0 HH TYR A 7 5.660 -7.352 0.014 1.00 0.00 H new ATOM 113 N GLN A 8 4.817 -6.301 7.605 1.00 0.00 N ATOM 114 CA GLN A 8 3.652 -7.041 8.031 1.00 0.00 C ATOM 115 C GLN A 8 2.408 -6.319 7.571 1.00 0.00 C ATOM 116 O GLN A 8 2.321 -5.090 7.627 1.00 0.00 O ATOM 117 CB GLN A 8 3.604 -7.227 9.555 1.00 0.00 C ATOM 118 CG GLN A 8 4.645 -8.186 10.109 1.00 0.00 C ATOM 119 CD GLN A 8 6.044 -7.610 10.105 1.00 0.00 C ATOM 120 OE1 GLN A 8 6.236 -6.401 10.248 1.00 0.00 O ATOM 121 NE2 GLN A 8 7.028 -8.471 9.932 1.00 0.00 N ATOM 0 H GLN A 8 4.809 -5.320 7.884 1.00 0.00 H new ATOM 0 HA GLN A 8 3.707 -8.033 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.735 -6.255 10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.613 -7.587 9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.373 -8.458 11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.635 -9.104 9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.823 -9.464 9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.994 -8.144 9.913 1.00 0.00 H new ATOM 130 N ILE A 9 1.467 -7.090 7.104 1.00 0.00 N ATOM 131 CA ILE A 9 0.217 -6.562 6.605 1.00 0.00 C ATOM 132 C ILE A 9 -0.909 -6.850 7.582 1.00 0.00 C ATOM 133 O ILE A 9 -1.092 -7.987 8.015 1.00 0.00 O ATOM 134 CB ILE A 9 -0.123 -7.152 5.225 1.00 0.00 C ATOM 135 CG1 ILE A 9 0.982 -6.784 4.231 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.478 -6.646 4.750 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.689 -7.172 2.802 1.00 0.00 C ATOM 0 H ILE A 9 1.540 -8.106 7.056 1.00 0.00 H new ATOM 0 HA ILE A 9 0.330 -5.483 6.499 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.183 -8.238 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.150 -5.708 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.909 -7.265 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.703 -7.073 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.248 -6.944 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.454 -5.559 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.523 -6.875 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.551 -8.251 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.219 -6.670 2.468 1.00 0.00 H new ATOM 149 N GLU A 10 -1.640 -5.810 7.937 1.00 0.00 N ATOM 150 CA GLU A 10 -2.746 -5.929 8.863 1.00 0.00 C ATOM 151 C GLU A 10 -4.042 -5.484 8.197 1.00 0.00 C ATOM 152 O GLU A 10 -4.030 -4.820 7.155 1.00 0.00 O ATOM 153 CB GLU A 10 -2.464 -5.078 10.100 1.00 0.00 C ATOM 154 CG GLU A 10 -2.596 -3.580 9.868 1.00 0.00 C ATOM 155 CD GLU A 10 -2.212 -2.771 11.087 1.00 0.00 C ATOM 156 OE1 GLU A 10 -3.034 -2.667 12.020 1.00 0.00 O ATOM 157 OE2 GLU A 10 -1.078 -2.252 11.125 1.00 0.00 O ATOM 0 H GLU A 10 -1.483 -4.863 7.592 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.856 -6.971 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.149 -5.373 10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.455 -5.292 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.965 -3.288 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.624 -3.347 9.590 1.00 0.00 H new ATOM 164 N GLN A 11 -5.158 -5.856 8.796 1.00 0.00 N ATOM 165 CA GLN A 11 -6.455 -5.476 8.282 1.00 0.00 C ATOM 166 C GLN A 11 -6.924 -4.191 8.943 1.00 0.00 C ATOM 167 O GLN A 11 -6.991 -4.090 10.167 1.00 0.00 O ATOM 168 CB GLN A 11 -7.457 -6.620 8.492 1.00 0.00 C ATOM 169 CG GLN A 11 -8.934 -6.229 8.405 1.00 0.00 C ATOM 170 CD GLN A 11 -9.435 -5.943 6.994 1.00 0.00 C ATOM 171 OE1 GLN A 11 -10.594 -6.192 6.681 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.588 -5.404 6.138 1.00 0.00 N ATOM 0 H GLN A 11 -5.189 -6.424 9.643 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.381 -5.289 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.260 -7.393 7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.274 -7.064 9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.534 -7.032 8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.099 -5.345 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.629 -5.207 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.892 -5.184 5.190 1.00 0.00 H new ATOM 181 N LEU A 12 -7.231 -3.208 8.106 1.00 0.00 N ATOM 182 CA LEU A 12 -7.575 -1.871 8.566 1.00 0.00 C ATOM 183 C LEU A 12 -8.933 -1.861 9.264 1.00 0.00 C ATOM 184 O LEU A 12 -9.097 -1.236 10.312 1.00 0.00 O ATOM 185 CB LEU A 12 -7.590 -0.921 7.376 1.00 0.00 C ATOM 186 CG LEU A 12 -7.193 0.528 7.655 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.721 0.716 9.092 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.100 0.937 6.692 1.00 0.00 C ATOM 0 H LEU A 12 -7.248 -3.316 7.092 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.827 -1.546 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.919 -1.318 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.593 -0.924 6.950 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.071 1.158 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.448 1.759 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.523 0.442 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.854 0.081 9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.812 1.970 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.235 0.288 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.465 0.848 5.669 1.00 0.00 H new ATOM 200 N GLY A 13 -9.902 -2.558 8.684 1.00 0.00 N ATOM 201 CA GLY A 13 -11.225 -2.599 9.272 1.00 0.00 C ATOM 202 C GLY A 13 -12.235 -3.302 8.392 1.00 0.00 C ATOM 203 O GLY A 13 -12.424 -4.511 8.503 1.00 0.00 O ATOM 0 H GLY A 13 -9.796 -3.093 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.174 -3.106 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.564 -1.581 9.465 1.00 0.00 H new ATOM 207 N ASP A 14 -12.879 -2.544 7.516 1.00 0.00 N ATOM 208 CA ASP A 14 -13.923 -3.088 6.651 1.00 0.00 C ATOM 209 C ASP A 14 -13.361 -3.546 5.311 1.00 0.00 C ATOM 210 O ASP A 14 -13.453 -4.720 4.955 1.00 0.00 O ATOM 211 CB ASP A 14 -15.015 -2.043 6.424 1.00 0.00 C ATOM 212 CG ASP A 14 -16.120 -2.528 5.506 1.00 0.00 C ATOM 213 OD1 ASP A 14 -17.085 -3.148 6.009 1.00 0.00 O ATOM 214 OD2 ASP A 14 -16.040 -2.274 4.283 1.00 0.00 O ATOM 0 H ASP A 14 -12.699 -1.549 7.383 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.348 -3.957 7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.446 -1.762 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.567 -1.144 6.000 1.00 0.00 H new ATOM 219 N SER A 15 -12.773 -2.615 4.574 1.00 0.00 N ATOM 220 CA SER A 15 -12.284 -2.904 3.236 1.00 0.00 C ATOM 221 C SER A 15 -11.077 -2.037 2.897 1.00 0.00 C ATOM 222 O SER A 15 -10.989 -1.447 1.819 1.00 0.00 O ATOM 223 CB SER A 15 -13.402 -2.693 2.221 1.00 0.00 C ATOM 224 OG SER A 15 -14.155 -1.529 2.526 1.00 0.00 O ATOM 0 H SER A 15 -12.623 -1.654 4.881 1.00 0.00 H new ATOM 0 HA SER A 15 -11.965 -3.945 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.978 -2.604 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.059 -3.563 2.212 1.00 0.00 H new ATOM 0 HG SER A 15 -14.890 -1.764 3.130 1.00 0.00 H new ATOM 230 N ALA A 16 -10.160 -1.955 3.835 1.00 0.00 N ATOM 231 CA ALA A 16 -8.922 -1.229 3.637 1.00 0.00 C ATOM 232 C ALA A 16 -7.775 -2.034 4.217 1.00 0.00 C ATOM 233 O ALA A 16 -7.983 -2.885 5.083 1.00 0.00 O ATOM 234 CB ALA A 16 -9.000 0.152 4.273 1.00 0.00 C ATOM 0 H ALA A 16 -10.249 -2.388 4.754 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.752 -1.087 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.060 0.680 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.815 0.716 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.181 0.050 5.343 1.00 0.00 H new ATOM 240 N MET A 17 -6.576 -1.784 3.737 1.00 0.00 N ATOM 241 CA MET A 17 -5.413 -2.544 4.196 1.00 0.00 C ATOM 242 C MET A 17 -4.288 -1.637 4.680 1.00 0.00 C ATOM 243 O MET A 17 -3.954 -0.652 4.032 1.00 0.00 O ATOM 244 CB MET A 17 -4.930 -3.466 3.074 1.00 0.00 C ATOM 245 CG MET A 17 -3.554 -4.057 3.284 1.00 0.00 C ATOM 246 SD MET A 17 -3.269 -5.513 2.264 1.00 0.00 S ATOM 247 CE MET A 17 -3.483 -4.819 0.632 1.00 0.00 C ATOM 0 H MET A 17 -6.373 -1.071 3.037 1.00 0.00 H new ATOM 0 HA MET A 17 -5.717 -3.146 5.053 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.646 -4.280 2.959 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.930 -2.907 2.138 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.800 -3.304 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.432 -4.323 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.217 -5.564 -0.118 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.523 -4.522 0.496 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.839 -3.946 0.520 1.00 0.00 H new ATOM 257 N MET A 18 -3.712 -1.976 5.828 1.00 0.00 N ATOM 258 CA MET A 18 -2.585 -1.222 6.364 1.00 0.00 C ATOM 259 C MET A 18 -1.357 -2.115 6.467 1.00 0.00 C ATOM 260 O MET A 18 -1.434 -3.246 6.940 1.00 0.00 O ATOM 261 CB MET A 18 -2.925 -0.614 7.728 1.00 0.00 C ATOM 262 CG MET A 18 -1.751 0.092 8.393 1.00 0.00 C ATOM 263 SD MET A 18 -2.197 0.909 9.937 1.00 0.00 S ATOM 264 CE MET A 18 -3.280 2.201 9.336 1.00 0.00 C ATOM 0 H MET A 18 -4.006 -2.765 6.404 1.00 0.00 H new ATOM 0 HA MET A 18 -2.367 -0.402 5.679 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.743 0.096 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.284 -1.403 8.388 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.962 -0.634 8.588 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.341 0.830 7.704 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.526 2.879 10.153 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.779 2.755 8.542 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.196 1.756 8.946 1.00 0.00 H new ATOM 274 N ILE A 19 -0.231 -1.617 5.995 1.00 0.00 N ATOM 275 CA ILE A 19 1.001 -2.394 5.985 1.00 0.00 C ATOM 276 C ILE A 19 2.135 -1.627 6.653 1.00 0.00 C ATOM 277 O ILE A 19 2.409 -0.489 6.291 1.00 0.00 O ATOM 278 CB ILE A 19 1.416 -2.730 4.540 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.275 -3.423 3.805 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.648 -3.612 4.529 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.140 -2.984 2.365 1.00 0.00 C ATOM 0 H ILE A 19 -0.140 -0.676 5.612 1.00 0.00 H new ATOM 0 HA ILE A 19 0.812 -3.314 6.538 1.00 0.00 H new ATOM 0 HB ILE A 19 1.650 -1.796 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.433 -4.501 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.660 -3.223 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.925 -3.838 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.471 -3.093 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.436 -4.540 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.690 -3.515 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.049 -1.911 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.062 -3.209 1.828 1.00 0.00 H new ATOM 293 N ARG A 20 2.799 -2.251 7.613 1.00 0.00 N ATOM 294 CA ARG A 20 3.940 -1.625 8.265 1.00 0.00 C ATOM 295 C ARG A 20 5.208 -2.379 7.885 1.00 0.00 C ATOM 296 O ARG A 20 5.241 -3.608 7.931 1.00 0.00 O ATOM 297 CB ARG A 20 3.764 -1.577 9.800 1.00 0.00 C ATOM 298 CG ARG A 20 4.178 -2.846 10.544 1.00 0.00 C ATOM 299 CD ARG A 20 3.179 -3.982 10.376 1.00 0.00 C ATOM 300 NE ARG A 20 1.893 -3.693 10.992 1.00 0.00 N ATOM 301 CZ ARG A 20 1.467 -4.248 12.127 1.00 0.00 C ATOM 302 NH1 ARG A 20 2.234 -5.122 12.771 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.280 -3.926 12.617 1.00 0.00 N ATOM 0 H ARG A 20 2.570 -3.184 7.957 1.00 0.00 H new ATOM 0 HA ARG A 20 4.015 -0.593 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.345 -0.741 10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.717 -1.370 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.154 -3.171 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.289 -2.620 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.033 -4.178 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.591 -4.891 10.814 1.00 0.00 H new ATOM 0 HE ARG A 20 1.279 -3.024 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.150 -5.369 12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.906 -5.545 13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.309 -3.253 12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.046 -4.351 13.485 1.00 0.00 H new ATOM 317 N PHE A 21 6.234 -1.653 7.472 1.00 0.00 N ATOM 318 CA PHE A 21 7.492 -2.278 7.083 1.00 0.00 C ATOM 319 C PHE A 21 8.489 -2.212 8.236 1.00 0.00 C ATOM 320 O PHE A 21 8.102 -2.230 9.406 1.00 0.00 O ATOM 321 CB PHE A 21 8.095 -1.591 5.849 1.00 0.00 C ATOM 322 CG PHE A 21 7.212 -1.549 4.624 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.056 -0.786 4.599 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.564 -2.249 3.482 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.270 -0.720 3.467 1.00 0.00 C ATOM 326 CE2 PHE A 21 6.779 -2.194 2.343 1.00 0.00 C ATOM 327 CZ PHE A 21 5.629 -1.428 2.337 1.00 0.00 C ATOM 0 H PHE A 21 6.223 -0.636 7.397 1.00 0.00 H new ATOM 0 HA PHE A 21 7.285 -3.319 6.835 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.360 -0.569 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.022 -2.102 5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.765 -0.234 5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.464 -2.846 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.375 -0.115 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.065 -2.748 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.013 -1.383 1.451 1.00 0.00 H new ATOM 422 N GLN A 28 15.195 1.323 2.597 1.00 0.00 N ATOM 423 CA GLN A 28 14.164 1.046 1.608 1.00 0.00 C ATOM 424 C GLN A 28 12.772 1.429 2.096 1.00 0.00 C ATOM 425 O GLN A 28 11.987 1.975 1.333 1.00 0.00 O ATOM 426 CB GLN A 28 14.195 -0.423 1.200 1.00 0.00 C ATOM 427 CG GLN A 28 14.991 -0.647 -0.067 1.00 0.00 C ATOM 428 CD GLN A 28 14.231 -0.228 -1.312 1.00 0.00 C ATOM 429 OE1 GLN A 28 14.299 0.927 -1.739 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.509 -1.163 -1.911 1.00 0.00 N ATOM 0 HA GLN A 28 14.383 1.666 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.627 -1.014 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.175 -0.780 1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.925 -0.087 -0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.256 -1.702 -0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.478 -2.107 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.984 -0.939 -2.756 1.00 0.00 H new ATOM 439 N VAL A 29 12.463 1.162 3.366 1.00 0.00 N ATOM 440 CA VAL A 29 11.128 1.466 3.878 1.00 0.00 C ATOM 441 C VAL A 29 10.857 2.959 3.806 1.00 0.00 C ATOM 442 O VAL A 29 9.881 3.380 3.201 1.00 0.00 O ATOM 443 CB VAL A 29 10.885 0.957 5.324 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.921 1.479 6.306 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.491 1.347 5.789 1.00 0.00 C ATOM 0 H VAL A 29 13.102 0.746 4.044 1.00 0.00 H new ATOM 0 HA VAL A 29 10.432 0.928 3.235 1.00 0.00 H new ATOM 0 HB VAL A 29 10.977 -0.129 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.705 1.093 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.913 1.150 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.889 2.568 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.332 0.985 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.392 2.432 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.749 0.904 5.125 1.00 0.00 H new ATOM 455 N ASN A 30 11.759 3.741 4.379 1.00 0.00 N ATOM 456 CA ASN A 30 11.610 5.194 4.445 1.00 0.00 C ATOM 457 C ASN A 30 11.363 5.789 3.066 1.00 0.00 C ATOM 458 O ASN A 30 10.488 6.638 2.893 1.00 0.00 O ATOM 459 CB ASN A 30 12.859 5.831 5.061 1.00 0.00 C ATOM 460 CG ASN A 30 12.931 5.650 6.566 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.461 6.499 7.322 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.532 4.556 7.012 1.00 0.00 N ATOM 0 H ASN A 30 12.614 3.391 4.811 1.00 0.00 H new ATOM 0 HA ASN A 30 10.745 5.408 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.747 5.394 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.871 6.895 4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.618 4.394 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.909 3.876 6.352 1.00 0.00 H new ATOM 469 N GLY A 31 12.121 5.326 2.085 1.00 0.00 N ATOM 470 CA GLY A 31 11.989 5.850 0.745 1.00 0.00 C ATOM 471 C GLY A 31 10.818 5.249 -0.011 1.00 0.00 C ATOM 472 O GLY A 31 10.119 5.952 -0.741 1.00 0.00 O ATOM 0 H GLY A 31 12.825 4.596 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.867 6.932 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.909 5.658 0.193 1.00 0.00 H new ATOM 476 N ILE A 32 10.582 3.954 0.171 1.00 0.00 N ATOM 477 CA ILE A 32 9.586 3.259 -0.627 1.00 0.00 C ATOM 478 C ILE A 32 8.174 3.424 -0.076 1.00 0.00 C ATOM 479 O ILE A 32 7.231 3.400 -0.839 1.00 0.00 O ATOM 480 CB ILE A 32 9.930 1.759 -0.828 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.028 1.447 -2.329 1.00 0.00 C ATOM 482 CG2 ILE A 32 8.920 0.836 -0.148 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.778 1.787 -3.129 1.00 0.00 C ATOM 0 H ILE A 32 11.063 3.372 0.857 1.00 0.00 H new ATOM 0 HA ILE A 32 9.610 3.736 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 32 10.894 1.572 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.872 1.996 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.246 0.386 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.204 -0.202 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.906 1.038 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.928 1.013 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.937 1.534 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.933 1.218 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.568 2.853 -3.041 1.00 0.00 H new ATOM 495 N VAL A 33 8.006 3.614 1.224 1.00 0.00 N ATOM 496 CA VAL A 33 6.667 3.863 1.750 1.00 0.00 C ATOM 497 C VAL A 33 6.205 5.233 1.266 1.00 0.00 C ATOM 498 O VAL A 33 5.019 5.469 1.030 1.00 0.00 O ATOM 499 CB VAL A 33 6.614 3.789 3.294 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.469 4.868 3.910 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.186 3.890 3.798 1.00 0.00 C ATOM 0 H VAL A 33 8.753 3.602 1.918 1.00 0.00 H new ATOM 0 HA VAL A 33 6.001 3.082 1.382 1.00 0.00 H new ATOM 0 HB VAL A 33 7.011 2.820 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.417 4.797 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.502 4.742 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.106 5.845 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.180 3.835 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.754 4.839 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.597 3.069 3.390 1.00 0.00 H new ATOM 511 N HIS A 34 7.179 6.112 1.081 1.00 0.00 N ATOM 512 CA HIS A 34 6.947 7.434 0.541 1.00 0.00 C ATOM 513 C HIS A 34 6.591 7.336 -0.940 1.00 0.00 C ATOM 514 O HIS A 34 5.711 8.039 -1.431 1.00 0.00 O ATOM 515 CB HIS A 34 8.212 8.276 0.733 1.00 0.00 C ATOM 516 CG HIS A 34 8.074 9.709 0.328 1.00 0.00 C ATOM 517 ND1 HIS A 34 8.481 10.195 -0.896 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.595 10.771 1.009 1.00 0.00 C ATOM 519 CE1 HIS A 34 8.258 11.493 -0.943 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.719 11.869 0.201 1.00 0.00 N ATOM 0 H HIS A 34 8.156 5.922 1.304 1.00 0.00 H new ATOM 0 HA HIS A 34 6.115 7.907 1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.504 8.235 1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.022 7.826 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.188 10.757 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.479 12.141 -1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.441 12.820 0.443 1.00 0.00 H new ATOM 529 N ALA A 35 7.281 6.448 -1.642 1.00 0.00 N ATOM 530 CA ALA A 35 7.085 6.290 -3.073 1.00 0.00 C ATOM 531 C ALA A 35 5.933 5.339 -3.391 1.00 0.00 C ATOM 532 O ALA A 35 5.367 5.400 -4.473 1.00 0.00 O ATOM 533 CB ALA A 35 8.369 5.805 -3.730 1.00 0.00 C ATOM 0 H ALA A 35 7.983 5.826 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 35 6.822 7.267 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.208 5.691 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.163 6.532 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.657 4.845 -3.302 1.00 0.00 H new ATOM 539 N ALA A 36 5.582 4.471 -2.446 1.00 0.00 N ATOM 540 CA ALA A 36 4.571 3.436 -2.673 1.00 0.00 C ATOM 541 C ALA A 36 3.208 4.041 -2.945 1.00 0.00 C ATOM 542 O ALA A 36 2.398 3.459 -3.662 1.00 0.00 O ATOM 543 CB ALA A 36 4.488 2.482 -1.489 1.00 0.00 C ATOM 0 H ALA A 36 5.985 4.462 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 36 4.879 2.875 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.730 1.724 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.454 1.999 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.221 3.039 -0.591 1.00 0.00 H new ATOM 549 N ALA A 37 2.969 5.218 -2.388 1.00 0.00 N ATOM 550 CA ALA A 37 1.726 5.926 -2.626 1.00 0.00 C ATOM 551 C ALA A 37 1.626 6.250 -4.105 1.00 0.00 C ATOM 552 O ALA A 37 0.569 6.157 -4.723 1.00 0.00 O ATOM 553 CB ALA A 37 1.688 7.202 -1.809 1.00 0.00 C ATOM 0 H ALA A 37 3.620 5.701 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 37 0.883 5.302 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.750 7.726 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.763 6.958 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.523 7.841 -2.094 1.00 0.00 H new ATOM 559 N ALA A 38 2.767 6.614 -4.662 1.00 0.00 N ATOM 560 CA ALA A 38 2.867 6.923 -6.070 1.00 0.00 C ATOM 561 C ALA A 38 3.079 5.658 -6.901 1.00 0.00 C ATOM 562 O ALA A 38 2.782 5.633 -8.092 1.00 0.00 O ATOM 563 CB ALA A 38 3.991 7.916 -6.312 1.00 0.00 C ATOM 0 H ALA A 38 3.645 6.702 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 38 1.926 7.374 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.055 8.140 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.791 8.834 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.934 7.487 -5.974 1.00 0.00 H new ATOM 569 N TYR A 39 3.601 4.616 -6.265 1.00 0.00 N ATOM 570 CA TYR A 39 3.866 3.351 -6.939 1.00 0.00 C ATOM 571 C TYR A 39 2.546 2.666 -7.294 1.00 0.00 C ATOM 572 O TYR A 39 2.379 2.134 -8.394 1.00 0.00 O ATOM 573 CB TYR A 39 4.715 2.438 -6.043 1.00 0.00 C ATOM 574 CG TYR A 39 5.578 1.448 -6.802 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.021 0.542 -7.695 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.956 1.415 -6.613 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.809 -0.367 -8.376 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.749 0.510 -7.293 1.00 0.00 C ATOM 579 CZ TYR A 39 7.171 -0.380 -8.173 1.00 0.00 C ATOM 580 OH TYR A 39 7.957 -1.294 -8.845 1.00 0.00 O ATOM 0 H TYR A 39 3.851 4.623 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 39 4.421 3.548 -7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.357 3.058 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.053 1.888 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.954 0.548 -7.860 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.414 2.108 -5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.358 -1.065 -9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.817 0.500 -7.136 1.00 0.00 H new ATOM 0 HH TYR A 39 8.895 -1.169 -8.590 1.00 0.00 H new ATOM 590 N ILE A 40 1.599 2.712 -6.362 1.00 0.00 N ATOM 591 CA ILE A 40 0.311 2.055 -6.542 1.00 0.00 C ATOM 592 C ILE A 40 -0.560 2.814 -7.533 1.00 0.00 C ATOM 593 O ILE A 40 -1.310 2.211 -8.296 1.00 0.00 O ATOM 594 CB ILE A 40 -0.432 1.927 -5.200 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.401 1.101 -4.226 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.801 1.287 -5.395 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.006 1.311 -2.785 1.00 0.00 C ATOM 0 H ILE A 40 1.701 3.199 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 40 0.508 1.059 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.580 2.926 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.299 0.045 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.453 1.357 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.306 1.208 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.398 1.902 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.680 0.292 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.635 0.696 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.135 2.361 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.038 1.028 -2.649 1.00 0.00 H new ATOM 609 N GLU A 41 -0.453 4.135 -7.537 1.00 0.00 N ATOM 610 CA GLU A 41 -1.269 4.945 -8.431 1.00 0.00 C ATOM 611 C GLU A 41 -0.827 4.748 -9.883 1.00 0.00 C ATOM 612 O GLU A 41 -1.607 4.956 -10.815 1.00 0.00 O ATOM 613 CB GLU A 41 -1.213 6.424 -8.037 1.00 0.00 C ATOM 614 CG GLU A 41 0.104 7.110 -8.361 1.00 0.00 C ATOM 615 CD GLU A 41 0.044 8.610 -8.154 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.356 9.326 -9.097 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.399 9.082 -7.056 1.00 0.00 O ATOM 0 H GLU A 41 0.182 4.664 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.304 4.617 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.019 6.954 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.400 6.510 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.892 6.691 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.374 6.900 -9.396 1.00 0.00 H new ATOM 624 N GLU A 42 0.425 4.333 -10.064 1.00 0.00 N ATOM 625 CA GLU A 42 0.950 4.019 -11.388 1.00 0.00 C ATOM 626 C GLU A 42 0.378 2.699 -11.894 1.00 0.00 C ATOM 627 O GLU A 42 0.102 2.541 -13.085 1.00 0.00 O ATOM 628 CB GLU A 42 2.476 3.929 -11.354 1.00 0.00 C ATOM 629 CG GLU A 42 3.174 5.262 -11.156 1.00 0.00 C ATOM 630 CD GLU A 42 2.900 6.233 -12.284 1.00 0.00 C ATOM 631 OE1 GLU A 42 3.447 6.036 -13.386 1.00 0.00 O ATOM 632 OE2 GLU A 42 2.143 7.204 -12.069 1.00 0.00 O ATOM 0 H GLU A 42 1.096 4.206 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 42 0.653 4.821 -12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.771 3.254 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.823 3.485 -12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.848 5.703 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.248 5.097 -11.076 1.00 0.00 H new ATOM 639 N GLN A 43 0.196 1.758 -10.976 1.00 0.00 N ATOM 640 CA GLN A 43 -0.304 0.432 -11.314 1.00 0.00 C ATOM 641 C GLN A 43 -1.470 0.058 -10.405 1.00 0.00 C ATOM 642 O GLN A 43 -1.336 -0.801 -9.532 1.00 0.00 O ATOM 643 CB GLN A 43 0.813 -0.598 -11.181 1.00 0.00 C ATOM 644 CG GLN A 43 1.871 -0.479 -12.258 1.00 0.00 C ATOM 645 CD GLN A 43 3.112 -1.279 -11.928 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.202 -2.462 -12.251 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.082 -0.639 -11.298 1.00 0.00 N ATOM 0 H GLN A 43 0.389 1.891 -9.983 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.655 0.444 -12.346 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.285 -0.488 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.381 -1.598 -11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.461 -0.822 -13.208 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.140 0.569 -12.387 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.967 0.343 -11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.946 -1.127 -11.062 1.00 0.00 H new ATOM 656 N PRO A 44 -2.625 0.711 -10.588 1.00 0.00 N ATOM 657 CA PRO A 44 -3.770 0.535 -9.721 1.00 0.00 C ATOM 658 C PRO A 44 -4.763 -0.503 -10.231 1.00 0.00 C ATOM 659 O PRO A 44 -4.609 -1.068 -11.314 1.00 0.00 O ATOM 660 CB PRO A 44 -4.400 1.922 -9.752 1.00 0.00 C ATOM 661 CG PRO A 44 -4.120 2.439 -11.128 1.00 0.00 C ATOM 662 CD PRO A 44 -2.917 1.686 -11.654 1.00 0.00 C ATOM 0 HA PRO A 44 -3.487 0.172 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.472 1.874 -9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.967 2.570 -8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.982 2.289 -11.778 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.922 3.511 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.136 1.192 -12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.073 2.352 -11.830 1.00 0.00 H new ATOM 670 N PHE A 45 -5.778 -0.734 -9.423 1.00 0.00 N ATOM 671 CA PHE A 45 -6.877 -1.614 -9.768 1.00 0.00 C ATOM 672 C PHE A 45 -8.155 -0.793 -9.843 1.00 0.00 C ATOM 673 O PHE A 45 -8.272 0.206 -9.142 1.00 0.00 O ATOM 674 CB PHE A 45 -7.010 -2.750 -8.746 1.00 0.00 C ATOM 675 CG PHE A 45 -6.588 -2.368 -7.356 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.489 -1.806 -6.473 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.281 -2.567 -6.939 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.099 -1.449 -5.200 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.884 -2.213 -5.667 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.795 -1.651 -4.795 1.00 0.00 C ATOM 0 H PHE A 45 -5.864 -0.312 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.686 -2.075 -10.737 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.047 -3.085 -8.722 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.410 -3.597 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.511 -1.644 -6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.565 -3.005 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.814 -1.011 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.863 -2.375 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.488 -1.370 -3.798 1.00 0.00 H new ATOM 690 N PRO A 46 -9.096 -1.171 -10.721 1.00 0.00 N ATOM 691 CA PRO A 46 -10.331 -0.412 -10.992 1.00 0.00 C ATOM 692 C PRO A 46 -10.966 0.264 -9.763 1.00 0.00 C ATOM 693 O PRO A 46 -11.464 1.384 -9.859 1.00 0.00 O ATOM 694 CB PRO A 46 -11.253 -1.495 -11.536 1.00 0.00 C ATOM 695 CG PRO A 46 -10.351 -2.422 -12.268 1.00 0.00 C ATOM 696 CD PRO A 46 -9.030 -2.397 -11.544 1.00 0.00 C ATOM 0 HA PRO A 46 -10.138 0.428 -11.659 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.780 -2.008 -10.731 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.011 -1.075 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.764 -3.431 -12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.231 -2.108 -13.305 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.896 -3.285 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.193 -2.365 -12.242 1.00 0.00 H new ATOM 704 N GLY A 47 -10.927 -0.403 -8.615 1.00 0.00 N ATOM 705 CA GLY A 47 -11.573 0.118 -7.424 1.00 0.00 C ATOM 706 C GLY A 47 -10.596 0.722 -6.436 1.00 0.00 C ATOM 707 O GLY A 47 -10.912 0.881 -5.264 1.00 0.00 O ATOM 0 H GLY A 47 -10.457 -1.299 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.302 0.875 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.125 -0.685 -6.936 1.00 0.00 H new ATOM 711 N PHE A 48 -9.399 1.028 -6.898 1.00 0.00 N ATOM 712 CA PHE A 48 -8.397 1.683 -6.061 1.00 0.00 C ATOM 713 C PHE A 48 -8.912 3.032 -5.561 1.00 0.00 C ATOM 714 O PHE A 48 -9.384 3.861 -6.343 1.00 0.00 O ATOM 715 CB PHE A 48 -7.095 1.865 -6.850 1.00 0.00 C ATOM 716 CG PHE A 48 -6.153 2.883 -6.269 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.464 2.626 -5.096 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.957 4.099 -6.906 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.596 3.567 -4.571 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.093 5.040 -6.385 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.413 4.774 -5.215 1.00 0.00 C ATOM 0 H PHE A 48 -9.090 0.835 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.199 1.053 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.582 0.905 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.341 2.157 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.605 1.684 -4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.488 4.312 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.061 3.357 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.949 5.983 -6.892 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.738 5.509 -4.803 1.00 0.00 H new ATOM 731 N ILE A 49 -8.813 3.249 -4.258 1.00 0.00 N ATOM 732 CA ILE A 49 -9.369 4.440 -3.639 1.00 0.00 C ATOM 733 C ILE A 49 -8.275 5.431 -3.248 1.00 0.00 C ATOM 734 O ILE A 49 -8.273 6.576 -3.703 1.00 0.00 O ATOM 735 CB ILE A 49 -10.201 4.067 -2.394 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.417 3.235 -2.802 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.636 5.301 -1.621 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.366 3.930 -3.750 1.00 0.00 C ATOM 0 H ILE A 49 -8.351 2.613 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.016 4.917 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.568 3.473 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.070 2.313 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.965 2.952 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.219 4.999 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.756 5.854 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.245 5.937 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.198 3.266 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.747 4.838 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.839 4.189 -4.668 1.00 0.00 H new ATOM 750 N GLU A 50 -7.338 4.988 -2.420 1.00 0.00 N ATOM 751 CA GLU A 50 -6.334 5.886 -1.861 1.00 0.00 C ATOM 752 C GLU A 50 -5.173 5.092 -1.276 1.00 0.00 C ATOM 753 O GLU A 50 -5.318 3.918 -0.952 1.00 0.00 O ATOM 754 CB GLU A 50 -6.977 6.753 -0.769 1.00 0.00 C ATOM 755 CG GLU A 50 -6.066 7.828 -0.203 1.00 0.00 C ATOM 756 CD GLU A 50 -5.630 8.826 -1.250 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.472 9.631 -1.693 1.00 0.00 O ATOM 758 OE2 GLU A 50 -4.441 8.813 -1.630 1.00 0.00 O ATOM 0 H GLU A 50 -7.252 4.017 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.949 6.525 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.869 7.228 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.305 6.106 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.583 8.352 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.186 7.359 0.237 1.00 0.00 H new ATOM 765 N CYS A 51 -4.026 5.731 -1.161 1.00 0.00 N ATOM 766 CA CYS A 51 -2.892 5.150 -0.471 1.00 0.00 C ATOM 767 C CYS A 51 -2.045 6.259 0.126 1.00 0.00 C ATOM 768 O CYS A 51 -1.533 7.118 -0.591 1.00 0.00 O ATOM 769 CB CYS A 51 -2.061 4.275 -1.410 1.00 0.00 C ATOM 770 SG CYS A 51 -1.714 5.020 -3.019 1.00 0.00 S ATOM 0 H CYS A 51 -3.854 6.662 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.258 4.507 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.115 4.037 -0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.585 3.332 -1.566 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.531 4.535 -3.907 1.00 0.00 H new ATOM 776 N ILE A 52 -1.918 6.259 1.440 1.00 0.00 N ATOM 777 CA ILE A 52 -1.184 7.313 2.117 1.00 0.00 C ATOM 778 C ILE A 52 0.004 6.770 2.907 1.00 0.00 C ATOM 779 O ILE A 52 -0.105 5.755 3.599 1.00 0.00 O ATOM 780 CB ILE A 52 -2.105 8.133 3.045 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.053 7.214 3.821 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.887 9.148 2.225 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.845 7.926 4.896 1.00 0.00 C ATOM 0 H ILE A 52 -2.310 5.547 2.056 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.797 7.970 1.338 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.490 8.665 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.746 6.747 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.474 6.413 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.536 9.725 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.193 9.820 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.493 8.627 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.494 7.212 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.160 8.370 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.452 8.709 4.442 1.00 0.00 H new ATOM 795 N PRO A 53 1.164 7.436 2.791 1.00 0.00 N ATOM 796 CA PRO A 53 2.383 7.037 3.480 1.00 0.00 C ATOM 797 C PRO A 53 2.407 7.508 4.928 1.00 0.00 C ATOM 798 O PRO A 53 2.345 8.706 5.208 1.00 0.00 O ATOM 799 CB PRO A 53 3.503 7.726 2.681 1.00 0.00 C ATOM 800 CG PRO A 53 2.831 8.492 1.583 1.00 0.00 C ATOM 801 CD PRO A 53 1.388 8.629 1.970 1.00 0.00 C ATOM 0 HA PRO A 53 2.481 5.952 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.083 8.392 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.197 6.991 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.292 9.472 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.928 7.969 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.203 9.546 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.734 8.650 1.098 1.00 0.00 H new ATOM 809 N ALA A 54 2.511 6.563 5.844 1.00 0.00 N ATOM 810 CA ALA A 54 2.564 6.866 7.264 1.00 0.00 C ATOM 811 C ALA A 54 3.956 6.595 7.818 1.00 0.00 C ATOM 812 O ALA A 54 4.120 5.839 8.780 1.00 0.00 O ATOM 813 CB ALA A 54 1.518 6.061 8.019 1.00 0.00 C ATOM 0 H ALA A 54 2.561 5.568 5.627 1.00 0.00 H new ATOM 0 HA ALA A 54 2.344 7.925 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.572 6.300 9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.526 6.308 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.706 4.997 7.877 1.00 0.00 H new ATOM 819 N PHE A 55 4.953 7.185 7.160 1.00 0.00 N ATOM 820 CA PHE A 55 6.349 7.165 7.609 1.00 0.00 C ATOM 821 C PHE A 55 6.999 5.791 7.422 1.00 0.00 C ATOM 822 O PHE A 55 8.025 5.673 6.761 1.00 0.00 O ATOM 823 CB PHE A 55 6.458 7.612 9.068 1.00 0.00 C ATOM 824 CG PHE A 55 7.864 7.925 9.484 1.00 0.00 C ATOM 825 CD1 PHE A 55 8.396 9.181 9.255 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.652 6.966 10.098 1.00 0.00 C ATOM 827 CE1 PHE A 55 9.689 9.479 9.630 1.00 0.00 C ATOM 828 CE2 PHE A 55 9.947 7.259 10.476 1.00 0.00 C ATOM 829 CZ PHE A 55 10.465 8.516 10.241 1.00 0.00 C ATOM 0 H PHE A 55 4.815 7.697 6.289 1.00 0.00 H new ATOM 0 HA PHE A 55 6.894 7.871 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.836 8.494 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.061 6.828 9.713 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.791 9.937 8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.250 5.981 10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.093 10.464 9.446 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.554 6.505 10.955 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.478 8.746 10.535 1.00 0.00 H new ATOM 839 N THR A 56 6.418 4.767 8.024 1.00 0.00 N ATOM 840 CA THR A 56 6.928 3.408 7.893 1.00 0.00 C ATOM 841 C THR A 56 5.783 2.444 7.571 1.00 0.00 C ATOM 842 O THR A 56 5.985 1.248 7.356 1.00 0.00 O ATOM 843 CB THR A 56 7.671 2.968 9.179 1.00 0.00 C ATOM 844 OG1 THR A 56 8.057 1.587 9.109 1.00 0.00 O ATOM 845 CG2 THR A 56 6.803 3.187 10.408 1.00 0.00 C ATOM 0 H THR A 56 5.588 4.850 8.612 1.00 0.00 H new ATOM 0 HA THR A 56 7.644 3.386 7.071 1.00 0.00 H new ATOM 0 HB THR A 56 8.569 3.581 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.508 1.127 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.346 2.871 11.298 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.552 4.244 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.887 2.603 10.315 1.00 0.00 H new ATOM 853 N SER A 57 4.575 2.982 7.521 1.00 0.00 N ATOM 854 CA SER A 57 3.401 2.190 7.204 1.00 0.00 C ATOM 855 C SER A 57 2.691 2.766 5.987 1.00 0.00 C ATOM 856 O SER A 57 2.612 3.977 5.829 1.00 0.00 O ATOM 857 CB SER A 57 2.452 2.168 8.402 1.00 0.00 C ATOM 858 OG SER A 57 3.138 1.780 9.582 1.00 0.00 O ATOM 0 H SER A 57 4.383 3.968 7.697 1.00 0.00 H new ATOM 0 HA SER A 57 3.713 1.171 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.011 3.155 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.632 1.477 8.209 1.00 0.00 H new ATOM 0 HG SER A 57 2.513 1.774 10.337 1.00 0.00 H new ATOM 864 N LEU A 58 2.200 1.905 5.122 1.00 0.00 N ATOM 865 CA LEU A 58 1.444 2.343 3.965 1.00 0.00 C ATOM 866 C LEU A 58 -0.028 2.041 4.186 1.00 0.00 C ATOM 867 O LEU A 58 -0.418 0.880 4.330 1.00 0.00 O ATOM 868 CB LEU A 58 1.946 1.651 2.699 1.00 0.00 C ATOM 869 CG LEU A 58 1.252 2.073 1.401 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.558 3.527 1.058 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.673 1.159 0.265 1.00 0.00 C ATOM 0 H LEU A 58 2.310 0.894 5.197 1.00 0.00 H new ATOM 0 HA LEU A 58 1.578 3.417 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.014 1.844 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.826 0.575 2.822 1.00 0.00 H new ATOM 0 HG LEU A 58 0.175 1.986 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.051 3.797 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.208 4.172 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.633 3.653 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.174 1.467 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.753 1.220 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.395 0.132 0.502 1.00 0.00 H new ATOM 883 N THR A 59 -0.832 3.083 4.253 1.00 0.00 N ATOM 884 CA THR A 59 -2.251 2.928 4.480 1.00 0.00 C ATOM 885 C THR A 59 -2.985 2.877 3.144 1.00 0.00 C ATOM 886 O THR A 59 -3.136 3.894 2.463 1.00 0.00 O ATOM 887 CB THR A 59 -2.778 4.085 5.342 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.850 4.341 6.407 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.137 3.759 5.933 1.00 0.00 C ATOM 0 H THR A 59 -0.523 4.050 4.153 1.00 0.00 H new ATOM 0 HA THR A 59 -2.429 1.994 5.013 1.00 0.00 H new ATOM 0 HB THR A 59 -2.883 4.965 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.181 5.080 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.482 4.598 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.849 3.575 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.058 2.870 6.558 1.00 0.00 H new ATOM 897 N VAL A 60 -3.435 1.687 2.772 1.00 0.00 N ATOM 898 CA VAL A 60 -4.024 1.464 1.463 1.00 0.00 C ATOM 899 C VAL A 60 -5.540 1.342 1.552 1.00 0.00 C ATOM 900 O VAL A 60 -6.074 0.505 2.279 1.00 0.00 O ATOM 901 CB VAL A 60 -3.443 0.196 0.801 1.00 0.00 C ATOM 902 CG1 VAL A 60 -4.032 -0.017 -0.584 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.926 0.283 0.728 1.00 0.00 C ATOM 0 H VAL A 60 -3.402 0.857 3.364 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.777 2.330 0.849 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.714 -0.661 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.605 -0.917 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.113 -0.129 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.801 0.842 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.532 -0.619 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.639 1.154 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.518 0.376 1.734 1.00 0.00 H new ATOM 913 N PHE A 61 -6.220 2.184 0.798 1.00 0.00 N ATOM 914 CA PHE A 61 -7.669 2.193 0.743 1.00 0.00 C ATOM 915 C PHE A 61 -8.129 1.800 -0.655 1.00 0.00 C ATOM 916 O PHE A 61 -7.486 2.141 -1.652 1.00 0.00 O ATOM 917 CB PHE A 61 -8.199 3.583 1.068 1.00 0.00 C ATOM 918 CG PHE A 61 -7.865 4.086 2.443 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.643 4.695 2.708 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.788 3.975 3.468 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.358 5.178 3.971 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.504 4.452 4.733 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.289 5.055 4.984 1.00 0.00 C ATOM 0 H PHE A 61 -5.780 2.885 0.203 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.052 1.481 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.804 4.286 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.283 3.578 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.911 4.791 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.743 3.509 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.407 5.652 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.232 4.353 5.524 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.066 5.431 5.972 1.00 0.00 H new ATOM 933 N TYR A 62 -9.249 1.110 -0.731 1.00 0.00 N ATOM 934 CA TYR A 62 -9.746 0.602 -1.998 1.00 0.00 C ATOM 935 C TYR A 62 -11.187 0.141 -1.869 1.00 0.00 C ATOM 936 O TYR A 62 -11.742 0.085 -0.770 1.00 0.00 O ATOM 937 CB TYR A 62 -8.868 -0.544 -2.509 1.00 0.00 C ATOM 938 CG TYR A 62 -8.446 -1.502 -1.428 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.372 -2.312 -0.795 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.122 -1.574 -1.027 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.986 -3.169 0.210 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.732 -2.434 -0.025 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.672 -3.225 0.586 1.00 0.00 C ATOM 944 OH TYR A 62 -7.300 -4.081 1.582 1.00 0.00 O ATOM 0 H TYR A 62 -9.836 0.886 0.073 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.707 1.417 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.411 -1.093 -3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.979 -0.127 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.409 -2.271 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.385 -0.947 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.717 -3.795 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.696 -2.485 0.277 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.553 -4.636 1.274 1.00 0.00 H new ATOM 954 N ASP A 63 -11.777 -0.167 -3.005 1.00 0.00 N ATOM 955 CA ASP A 63 -13.153 -0.584 -3.084 1.00 0.00 C ATOM 956 C ASP A 63 -13.216 -2.095 -3.188 1.00 0.00 C ATOM 957 O ASP A 63 -12.821 -2.675 -4.203 1.00 0.00 O ATOM 958 CB ASP A 63 -13.811 0.046 -4.306 1.00 0.00 C ATOM 959 CG ASP A 63 -15.316 0.123 -4.176 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.931 -0.863 -3.719 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.891 1.179 -4.519 1.00 0.00 O ATOM 0 H ASP A 63 -11.305 -0.133 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.683 -0.261 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.410 1.049 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.555 -0.534 -5.193 1.00 0.00 H new ATOM 966 N MET A 64 -13.712 -2.720 -2.139 1.00 0.00 N ATOM 967 CA MET A 64 -13.769 -4.175 -2.059 1.00 0.00 C ATOM 968 C MET A 64 -14.650 -4.757 -3.167 1.00 0.00 C ATOM 969 O MET A 64 -14.497 -5.915 -3.543 1.00 0.00 O ATOM 970 CB MET A 64 -14.289 -4.627 -0.685 1.00 0.00 C ATOM 971 CG MET A 64 -15.729 -4.223 -0.407 1.00 0.00 C ATOM 972 SD MET A 64 -15.936 -2.438 -0.231 1.00 0.00 S ATOM 973 CE MET A 64 -17.554 -2.220 -0.964 1.00 0.00 C ATOM 0 H MET A 64 -14.086 -2.241 -1.320 1.00 0.00 H new ATOM 0 HA MET A 64 -12.754 -4.550 -2.193 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.206 -5.712 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.648 -4.208 0.091 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.364 -4.579 -1.218 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.070 -4.715 0.504 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.669 -1.186 -1.290 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.657 -2.885 -1.822 1.00 0.00 H new ATOM 0 HE3 MET A 64 -18.322 -2.456 -0.227 1.00 0.00 H new ATOM 983 N TYR A 65 -15.545 -3.944 -3.713 1.00 0.00 N ATOM 984 CA TYR A 65 -16.478 -4.415 -4.728 1.00 0.00 C ATOM 985 C TYR A 65 -15.758 -4.682 -6.053 1.00 0.00 C ATOM 986 O TYR A 65 -16.225 -5.471 -6.876 1.00 0.00 O ATOM 987 CB TYR A 65 -17.641 -3.413 -4.870 1.00 0.00 C ATOM 988 CG TYR A 65 -17.785 -2.726 -6.216 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.943 -1.684 -6.589 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.789 -3.104 -7.098 1.00 0.00 C ATOM 991 CE1 TYR A 65 -17.098 -1.039 -7.802 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.946 -2.469 -8.315 1.00 0.00 C ATOM 993 CZ TYR A 65 -18.103 -1.438 -8.664 1.00 0.00 C ATOM 994 OH TYR A 65 -18.273 -0.800 -9.875 1.00 0.00 O ATOM 0 H TYR A 65 -15.645 -2.958 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.903 -5.369 -4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.571 -3.938 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.524 -2.645 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.154 -1.373 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.458 -3.908 -6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.438 -0.229 -8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -19.728 -2.781 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 65 -19.023 -1.207 -10.357 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.610 -4.040 -6.246 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.818 -4.246 -7.447 1.00 0.00 C ATOM 1006 C GLU A 66 -12.808 -5.350 -7.231 1.00 0.00 C ATOM 1007 O GLU A 66 -12.492 -6.110 -8.142 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.105 -2.966 -7.868 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.998 -2.005 -8.624 1.00 0.00 C ATOM 1010 CD GLU A 66 -14.616 -2.649 -9.845 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -13.941 -2.735 -10.883 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -15.782 -3.084 -9.765 1.00 0.00 O ATOM 0 H GLU A 66 -14.210 -3.374 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.500 -4.536 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.714 -2.467 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.249 -3.223 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.788 -1.648 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.418 -1.134 -8.928 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.300 -5.440 -6.014 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.293 -6.432 -5.693 1.00 0.00 C ATOM 1021 C VAL A 67 -11.914 -7.827 -5.686 1.00 0.00 C ATOM 1022 O VAL A 67 -11.246 -8.808 -5.989 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.606 -6.123 -4.343 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.238 -4.646 -4.273 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.483 -6.514 -3.166 1.00 0.00 C ATOM 0 H VAL A 67 -12.569 -4.839 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.522 -6.398 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.696 -6.720 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.754 -4.436 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.555 -4.402 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.141 -4.042 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.967 -6.282 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.420 -5.958 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.693 -7.583 -3.208 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.205 -7.895 -5.346 1.00 0.00 N ATOM 1036 CA TYR A 68 -13.990 -9.130 -5.443 1.00 0.00 C ATOM 1037 C TYR A 68 -13.949 -9.713 -6.845 1.00 0.00 C ATOM 1038 O TYR A 68 -14.141 -10.913 -7.027 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.446 -8.889 -5.048 1.00 0.00 C ATOM 1040 CG TYR A 68 -15.767 -9.286 -3.623 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.906 -10.625 -3.280 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -15.937 -8.334 -2.627 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.202 -11.005 -1.986 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.232 -8.706 -1.330 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.364 -10.043 -1.015 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.656 -10.418 0.276 1.00 0.00 O ATOM 0 H TYR A 68 -13.735 -7.097 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.539 -9.842 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.679 -7.833 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.093 -9.446 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.780 -11.383 -4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -15.837 -7.286 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.306 -12.051 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.359 -7.954 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.737 -9.619 0.838 1.00 0.00 H new ATOM 1056 N LYS A 69 -13.707 -8.863 -7.834 1.00 0.00 N ATOM 1057 CA LYS A 69 -13.577 -9.327 -9.205 1.00 0.00 C ATOM 1058 C LYS A 69 -12.328 -10.186 -9.343 1.00 0.00 C ATOM 1059 O LYS A 69 -12.216 -11.021 -10.239 1.00 0.00 O ATOM 1060 CB LYS A 69 -13.473 -8.149 -10.167 1.00 0.00 C ATOM 1061 CG LYS A 69 -14.523 -8.151 -11.267 1.00 0.00 C ATOM 1062 CD LYS A 69 -15.839 -7.545 -10.805 1.00 0.00 C ATOM 1063 CE LYS A 69 -15.651 -6.098 -10.390 1.00 0.00 C ATOM 1064 NZ LYS A 69 -16.941 -5.381 -10.248 1.00 0.00 N ATOM 0 H LYS A 69 -13.598 -7.856 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.463 -9.912 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.558 -7.222 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.483 -8.153 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.149 -7.593 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.694 -9.174 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.574 -7.605 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.235 -8.120 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.111 -6.061 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.034 -5.588 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.760 -4.374 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.491 -5.479 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.478 -5.787 -9.456 1.00 0.00 H new ATOM 1078 N HIS A 70 -11.386 -9.951 -8.445 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.112 -10.634 -8.468 1.00 0.00 C ATOM 1080 C HIS A 70 -10.086 -11.742 -7.413 1.00 0.00 C ATOM 1081 O HIS A 70 -9.440 -12.766 -7.615 1.00 0.00 O ATOM 1082 CB HIS A 70 -8.999 -9.610 -8.220 1.00 0.00 C ATOM 1083 CG HIS A 70 -7.608 -10.124 -8.434 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.109 -10.439 -9.676 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -6.598 -10.345 -7.561 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -5.858 -10.831 -9.561 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -5.522 -10.784 -8.287 1.00 0.00 N ATOM 0 H HIS A 70 -11.487 -9.281 -7.682 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.957 -11.101 -9.441 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.159 -8.755 -8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.082 -9.246 -7.196 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.633 -10.202 -6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.216 -11.139 -10.373 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.610 -11.034 -7.904 1.00 0.00 H new ATOM 1096 N LEU A 71 -10.800 -11.489 -6.300 1.00 0.00 N ATOM 1097 CA LEU A 71 -10.950 -12.405 -5.149 1.00 0.00 C ATOM 1098 C LEU A 71 -10.789 -13.880 -5.512 1.00 0.00 C ATOM 1099 O LEU A 71 -11.736 -14.538 -5.953 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.322 -12.207 -4.488 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.337 -11.462 -3.141 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.667 -12.277 -2.044 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.664 -10.111 -3.266 1.00 0.00 C ATOM 0 H LEU A 71 -11.306 -10.613 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.144 -12.150 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.961 -11.664 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.774 -13.188 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.381 -11.313 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.696 -11.720 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.194 -13.223 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.630 -12.473 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.687 -9.603 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.629 -10.248 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.191 -9.509 -4.006 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.574 -14.404 -5.341 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.270 -15.823 -5.531 1.00 0.00 C ATOM 1117 C PRO A 72 -9.887 -16.691 -4.434 1.00 0.00 C ATOM 1118 O PRO A 72 -10.232 -16.193 -3.361 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.734 -15.869 -5.479 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.312 -14.446 -5.648 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.379 -13.643 -4.989 1.00 0.00 C ATOM 0 HA PRO A 72 -9.679 -16.216 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.381 -16.278 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.329 -16.500 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.341 -14.265 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.217 -14.186 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.237 -13.578 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.417 -12.622 -5.367 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.013 -17.982 -4.699 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.713 -18.891 -3.796 1.00 0.00 C ATOM 1131 C GLN A 73 -10.034 -18.978 -2.426 1.00 0.00 C ATOM 1132 O GLN A 73 -10.710 -18.988 -1.392 1.00 0.00 O ATOM 1133 CB GLN A 73 -10.818 -20.280 -4.432 1.00 0.00 C ATOM 1134 CG GLN A 73 -11.610 -21.281 -3.608 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.016 -20.809 -3.297 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -13.948 -21.047 -4.062 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.179 -20.145 -2.165 1.00 0.00 N ATOM 0 H GLN A 73 -9.638 -18.429 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.714 -18.491 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.283 -20.184 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.813 -20.671 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.661 -22.227 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.082 -21.473 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.379 -19.968 -1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.105 -19.810 -1.899 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.706 -19.008 -2.417 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.975 -19.141 -1.168 1.00 0.00 C ATOM 1148 C GLY A 74 -7.994 -17.854 -0.377 1.00 0.00 C ATOM 1149 O GLY A 74 -7.790 -17.845 0.838 1.00 0.00 O ATOM 0 H GLY A 74 -8.122 -18.943 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.413 -19.942 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.944 -19.426 -1.377 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.243 -16.768 -1.083 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.362 -15.454 -0.476 1.00 0.00 C ATOM 1155 C ILE A 75 -9.761 -15.271 0.094 1.00 0.00 C ATOM 1156 O ILE A 75 -10.709 -14.981 -0.633 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.092 -14.363 -1.522 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -6.728 -14.584 -2.178 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.173 -12.986 -0.889 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.553 -14.164 -1.326 1.00 0.00 C ATOM 0 H ILE A 75 -8.369 -16.771 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.629 -15.372 0.327 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.858 -14.423 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.624 -15.641 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.696 -14.032 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.979 -12.226 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.168 -12.836 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.430 -12.906 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.625 -14.355 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.629 -13.100 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.555 -14.733 -0.397 1.00 0.00 H new ATOM 1172 N SER A 76 -9.884 -15.446 1.397 1.00 0.00 N ATOM 1173 CA SER A 76 -11.173 -15.377 2.061 1.00 0.00 C ATOM 1174 C SER A 76 -11.567 -13.931 2.354 1.00 0.00 C ATOM 1175 O SER A 76 -12.708 -13.652 2.724 1.00 0.00 O ATOM 1176 CB SER A 76 -11.108 -16.187 3.353 1.00 0.00 C ATOM 1177 OG SER A 76 -10.655 -17.510 3.094 1.00 0.00 O ATOM 0 H SER A 76 -9.100 -15.638 2.021 1.00 0.00 H new ATOM 0 HA SER A 76 -11.935 -15.795 1.403 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.437 -15.699 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.093 -16.219 3.818 1.00 0.00 H new ATOM 0 HG SER A 76 -10.618 -18.013 3.934 1.00 0.00 H new ATOM 1183 N SER A 77 -10.627 -13.017 2.160 1.00 0.00 N ATOM 1184 CA SER A 77 -10.833 -11.619 2.500 1.00 0.00 C ATOM 1185 C SER A 77 -10.431 -10.693 1.354 1.00 0.00 C ATOM 1186 O SER A 77 -9.341 -10.820 0.804 1.00 0.00 O ATOM 1187 CB SER A 77 -10.009 -11.278 3.731 1.00 0.00 C ATOM 1188 OG SER A 77 -10.383 -12.079 4.839 1.00 0.00 O ATOM 0 H SER A 77 -9.709 -13.222 1.766 1.00 0.00 H new ATOM 0 HA SER A 77 -11.895 -11.472 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.951 -11.424 3.515 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.141 -10.225 3.980 1.00 0.00 H new ATOM 0 HG SER A 77 -9.836 -11.839 5.616 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.314 -9.742 0.993 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.041 -8.736 -0.041 1.00 0.00 C ATOM 1196 C PRO A 78 -9.672 -8.076 0.099 1.00 0.00 C ATOM 1197 O PRO A 78 -8.917 -7.991 -0.869 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.144 -7.708 0.189 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.286 -8.510 0.698 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.678 -9.598 1.546 1.00 0.00 C ATOM 0 HA PRO A 78 -11.028 -9.179 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.838 -6.949 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.402 -7.187 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.967 -7.893 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.865 -8.932 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.657 -9.321 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.242 -10.528 1.472 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.360 -7.625 1.310 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.091 -6.953 1.586 1.00 0.00 C ATOM 1210 C PHE A 79 -6.895 -7.863 1.279 1.00 0.00 C ATOM 1211 O PHE A 79 -5.813 -7.392 0.932 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.061 -6.488 3.051 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.387 -7.432 4.003 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -8.071 -8.501 4.557 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -6.063 -7.237 4.347 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -7.438 -9.361 5.437 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.429 -8.087 5.221 1.00 0.00 C ATOM 1218 CZ PHE A 79 -6.114 -9.154 5.770 1.00 0.00 C ATOM 0 H PHE A 79 -9.972 -7.713 2.122 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.012 -6.084 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.555 -5.524 3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.086 -6.328 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.107 -8.665 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.519 -6.406 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.979 -10.193 5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.394 -7.921 5.479 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.616 -9.823 6.456 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.107 -9.166 1.377 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.032 -10.128 1.218 1.00 0.00 C ATOM 1230 C GLU A 80 -5.760 -10.401 -0.261 1.00 0.00 C ATOM 1231 O GLU A 80 -4.693 -10.900 -0.627 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.377 -11.413 1.972 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.224 -12.395 2.077 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.270 -13.195 3.360 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -6.122 -14.101 3.472 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -4.466 -12.900 4.270 1.00 0.00 O ATOM 0 H GLU A 80 -8.019 -9.581 1.567 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.117 -9.715 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.713 -11.154 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.213 -11.902 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.250 -13.075 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.280 -11.852 2.023 1.00 0.00 H new ATOM 1243 N SER A 81 -6.716 -10.053 -1.111 1.00 0.00 N ATOM 1244 CA SER A 81 -6.545 -10.214 -2.546 1.00 0.00 C ATOM 1245 C SER A 81 -5.698 -9.072 -3.078 1.00 0.00 C ATOM 1246 O SER A 81 -4.882 -9.244 -3.980 1.00 0.00 O ATOM 1247 CB SER A 81 -7.903 -10.234 -3.254 1.00 0.00 C ATOM 1248 OG SER A 81 -7.750 -10.376 -4.656 1.00 0.00 O ATOM 0 H SER A 81 -7.614 -9.659 -0.832 1.00 0.00 H new ATOM 0 HA SER A 81 -6.046 -11.164 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.506 -11.056 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.443 -9.312 -3.036 1.00 0.00 H new ATOM 0 HG SER A 81 -8.633 -10.387 -5.082 1.00 0.00 H new ATOM 1254 N VAL A 82 -5.901 -7.911 -2.481 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.164 -6.706 -2.827 1.00 0.00 C ATOM 1256 C VAL A 82 -3.703 -6.854 -2.442 1.00 0.00 C ATOM 1257 O VAL A 82 -2.827 -6.220 -3.027 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.765 -5.502 -2.091 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.060 -4.214 -2.476 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.258 -5.410 -2.360 1.00 0.00 C ATOM 0 H VAL A 82 -6.586 -7.776 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.235 -6.550 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.617 -5.648 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.509 -3.379 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.003 -4.286 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.161 -4.051 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.671 -4.551 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.428 -5.293 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.747 -6.320 -2.012 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.452 -7.710 -1.458 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.098 -8.009 -1.018 1.00 0.00 C ATOM 1272 C LYS A 83 -1.237 -8.391 -2.211 1.00 0.00 C ATOM 1273 O LYS A 83 -0.100 -7.958 -2.339 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.105 -9.168 -0.031 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.676 -8.855 1.337 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.428 -10.021 2.285 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.916 -9.736 3.694 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.693 -10.895 4.603 1.00 0.00 N ATOM 0 H LYS A 83 -4.178 -8.213 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.692 -7.120 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.676 -9.989 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.082 -9.523 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.217 -7.950 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.746 -8.661 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.930 -10.910 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.361 -10.244 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.399 -8.861 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.978 -9.494 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.993 -10.643 5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.247 -11.709 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.683 -11.143 4.608 1.00 0.00 H new ATOM 1292 N ARG A 84 -1.824 -9.187 -3.091 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.138 -9.696 -4.266 1.00 0.00 C ATOM 1294 C ARG A 84 -0.697 -8.547 -5.140 1.00 0.00 C ATOM 1295 O ARG A 84 0.464 -8.454 -5.527 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.063 -10.604 -5.074 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.747 -11.674 -4.251 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.740 -12.614 -3.604 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.517 -12.288 -2.199 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.358 -11.861 -1.700 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.706 -11.707 -2.484 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -0.266 -11.592 -0.406 1.00 0.00 N ATOM 0 H ARG A 84 -2.792 -9.498 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.270 -10.267 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.823 -9.992 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.486 -11.082 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.356 -11.205 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.423 -12.246 -4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.097 -13.641 -3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.795 -12.561 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.301 -12.394 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.640 -11.917 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.587 -11.379 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.078 -11.712 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.617 -11.265 -0.015 1.00 0.00 H new ATOM 1316 N ASP A 85 -1.645 -7.669 -5.419 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.425 -6.531 -6.289 1.00 0.00 C ATOM 1318 C ASP A 85 -0.418 -5.558 -5.701 1.00 0.00 C ATOM 1319 O ASP A 85 0.389 -4.974 -6.426 1.00 0.00 O ATOM 1320 CB ASP A 85 -2.749 -5.814 -6.552 1.00 0.00 C ATOM 1321 CG ASP A 85 -3.643 -6.606 -7.483 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -3.414 -6.552 -8.713 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -4.554 -7.301 -6.990 1.00 0.00 O ATOM 0 H ASP A 85 -2.592 -7.727 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.016 -6.905 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.266 -5.647 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.551 -4.833 -6.985 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.456 -5.383 -4.390 1.00 0.00 N ATOM 1329 CA VAL A 86 0.397 -4.401 -3.748 1.00 0.00 C ATOM 1330 C VAL A 86 1.799 -4.947 -3.481 1.00 0.00 C ATOM 1331 O VAL A 86 2.763 -4.290 -3.828 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.229 -3.829 -2.457 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.557 -3.173 -2.780 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.405 -4.891 -1.385 1.00 0.00 C ATOM 0 H VAL A 86 -1.063 -5.903 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 86 0.491 -3.576 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 86 0.458 -3.084 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.996 -2.771 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.399 -2.364 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.232 -3.912 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.848 -4.441 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.059 -5.679 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.566 -5.316 -1.131 1.00 0.00 H new ATOM 1344 N GLU A 87 1.911 -6.145 -2.903 1.00 0.00 N ATOM 1345 CA GLU A 87 3.213 -6.743 -2.581 1.00 0.00 C ATOM 1346 C GLU A 87 4.166 -6.696 -3.763 1.00 0.00 C ATOM 1347 O GLU A 87 5.284 -6.190 -3.652 1.00 0.00 O ATOM 1348 CB GLU A 87 3.068 -8.201 -2.137 1.00 0.00 C ATOM 1349 CG GLU A 87 2.438 -8.394 -0.770 1.00 0.00 C ATOM 1350 CD GLU A 87 2.287 -9.858 -0.408 1.00 0.00 C ATOM 1351 OE1 GLU A 87 2.787 -10.722 -1.160 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.637 -10.162 0.612 1.00 0.00 O ATOM 0 H GLU A 87 1.112 -6.725 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 87 3.622 -6.149 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.468 -8.732 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.055 -8.665 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.050 -7.897 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.459 -7.915 -0.753 1.00 0.00 H new