USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 558 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 Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.582 USER MOD Single : A 15 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.1!) USER MOD Single : A 16 HIS : no HD1:sc= -12.5! C(o=-13!,f=-13!) USER MOD Single : A 18 THR OG1 : rot 110:sc= -1.22 USER MOD Single : A 23 THR OG1 : rot 139:sc= 0.0156 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 28 CYS SG : rot -137:sc= -6.84! USER MOD Single : A 35 CYS SG : rot 86:sc= -8.57! USER MOD Single : A 36 LYS NZ :NH3+ -112:sc=-0.00885 (180deg=-1.72!) USER MOD Single : A 43 CYS SG : rot 23:sc= -0.171 USER MOD Single : A 44 HIS : no HE2:sc= -0.447 K(o=-0.45,f=-8.6!) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.198 USER MOD Single : A 52 SER OG : rot -160:sc= 0.338 USER MOD Single : A 59 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.1!) USER MOD Single : A 62 MET CE :methyl 180:sc= -13.9! (180deg=-13.9!) USER MOD Single : A 67 GLN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0541 K(o=-0.054,f=-0.65) USER MOD Single : A 74 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.334 -1.955 -11.400 1.00 0.00 N ATOM 77 CA MET A 4 -2.453 -2.844 -10.651 1.00 0.00 C ATOM 78 C MET A 4 -2.953 -3.019 -9.220 1.00 0.00 C ATOM 79 O MET A 4 -4.018 -2.520 -8.860 1.00 0.00 O ATOM 80 CB MET A 4 -1.025 -2.293 -10.641 1.00 0.00 C ATOM 81 CG MET A 4 -0.422 -2.137 -12.028 1.00 0.00 C ATOM 82 SD MET A 4 0.733 -0.758 -12.132 1.00 0.00 S ATOM 83 CE MET A 4 0.471 -0.225 -13.821 1.00 0.00 C ATOM 0 HA MET A 4 -2.454 -3.817 -11.142 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.022 -1.324 -10.142 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.393 -2.957 -10.052 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.092 -3.058 -12.302 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.222 -1.991 -12.753 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.117 0.625 -14.039 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.707 -1.043 -14.501 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.571 0.068 -13.953 1.00 0.00 H new ATOM 93 N PHE A 5 -2.178 -3.731 -8.409 1.00 0.00 N ATOM 94 CA PHE A 5 -2.547 -3.968 -7.018 1.00 0.00 C ATOM 95 C PHE A 5 -1.321 -3.923 -6.113 1.00 0.00 C ATOM 96 O PHE A 5 -0.198 -4.162 -6.556 1.00 0.00 O ATOM 97 CB PHE A 5 -3.245 -5.322 -6.878 1.00 0.00 C ATOM 98 CG PHE A 5 -2.363 -6.487 -7.227 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.940 -7.372 -6.249 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.955 -6.695 -8.535 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.128 -8.443 -6.569 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.142 -7.764 -8.861 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.728 -8.640 -7.876 1.00 0.00 C ATOM 0 H PHE A 5 -1.293 -4.153 -8.690 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.232 -3.178 -6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.597 -5.437 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.125 -5.337 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.248 -7.223 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.276 -6.014 -9.309 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.806 -9.126 -5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.831 -7.914 -9.884 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.093 -9.477 -8.128 1.00 0.00 H new ATOM 113 N LEU A 6 -1.551 -3.610 -4.844 1.00 0.00 N ATOM 114 CA LEU A 6 -0.471 -3.524 -3.868 1.00 0.00 C ATOM 115 C LEU A 6 -0.723 -4.451 -2.686 1.00 0.00 C ATOM 116 O LEU A 6 -1.856 -4.600 -2.227 1.00 0.00 O ATOM 117 CB LEU A 6 -0.311 -2.091 -3.375 1.00 0.00 C ATOM 118 CG LEU A 6 -1.589 -1.449 -2.854 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.712 -1.657 -1.351 1.00 0.00 C ATOM 120 CD2 LEU A 6 -1.622 0.034 -3.209 1.00 0.00 C ATOM 0 H LEU A 6 -2.477 -3.411 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 6 0.449 -3.837 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.436 -2.076 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.078 -1.482 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.443 -1.929 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.631 -1.192 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.736 -2.725 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.857 -1.203 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.542 0.479 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.765 0.535 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.583 0.150 -4.292 1.00 0.00 H new ATOM 132 N THR A 7 0.344 -5.072 -2.202 1.00 0.00 N ATOM 133 CA THR A 7 0.254 -5.989 -1.071 1.00 0.00 C ATOM 134 C THR A 7 0.569 -5.280 0.239 1.00 0.00 C ATOM 135 O THR A 7 1.709 -4.884 0.487 1.00 0.00 O ATOM 136 CB THR A 7 1.205 -7.171 -1.258 1.00 0.00 C ATOM 137 OG1 THR A 7 1.001 -7.787 -2.518 1.00 0.00 O ATOM 138 CG2 THR A 7 1.041 -8.232 -0.193 1.00 0.00 C ATOM 0 H THR A 7 1.286 -4.958 -2.576 1.00 0.00 H new ATOM 0 HA THR A 7 -0.771 -6.358 -1.028 1.00 0.00 H new ATOM 0 HB THR A 7 2.210 -6.754 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.621 -8.540 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.742 -9.045 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.240 -7.798 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.022 -8.619 -0.218 1.00 0.00 H new ATOM 146 N VAL A 8 -0.451 -5.131 1.078 1.00 0.00 N ATOM 147 CA VAL A 8 -0.296 -4.473 2.371 1.00 0.00 C ATOM 148 C VAL A 8 -0.023 -5.499 3.464 1.00 0.00 C ATOM 149 O VAL A 8 -0.321 -6.676 3.300 1.00 0.00 O ATOM 150 CB VAL A 8 -1.548 -3.654 2.744 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.225 -2.653 3.843 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.115 -2.944 1.520 1.00 0.00 C ATOM 0 H VAL A 8 -1.397 -5.458 0.885 1.00 0.00 H new ATOM 0 HA VAL A 8 0.552 -3.793 2.287 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.306 -4.342 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.121 -2.085 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.875 -3.185 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.448 -1.972 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.998 -2.373 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.363 -2.269 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.390 -3.682 0.766 1.00 0.00 H new ATOM 162 N TYR A 9 0.563 -5.054 4.570 1.00 0.00 N ATOM 163 CA TYR A 9 0.885 -5.954 5.670 1.00 0.00 C ATOM 164 C TYR A 9 0.035 -5.660 6.895 1.00 0.00 C ATOM 165 O TYR A 9 -0.153 -4.501 7.282 1.00 0.00 O ATOM 166 CB TYR A 9 2.374 -5.878 6.002 1.00 0.00 C ATOM 167 CG TYR A 9 3.225 -6.749 5.102 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.061 -6.724 3.722 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.187 -7.600 5.630 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.833 -7.520 2.896 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.962 -8.398 4.811 1.00 0.00 C ATOM 172 CZ TYR A 9 4.782 -8.355 3.445 1.00 0.00 C ATOM 173 OH TYR A 9 5.552 -9.147 2.626 1.00 0.00 O ATOM 0 H TYR A 9 0.823 -4.081 4.728 1.00 0.00 H new ATOM 0 HA TYR A 9 0.655 -6.971 5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.707 -4.844 5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.525 -6.179 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.318 -6.072 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.332 -7.639 6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.693 -7.488 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.706 -9.053 5.239 1.00 0.00 H new ATOM 0 HH TYR A 9 6.173 -9.675 3.171 1.00 0.00 H new ATOM 183 N LEU A 10 -0.492 -6.732 7.478 1.00 0.00 N ATOM 184 CA LEU A 10 -1.357 -6.641 8.648 1.00 0.00 C ATOM 185 C LEU A 10 -0.580 -6.746 9.954 1.00 0.00 C ATOM 186 O LEU A 10 0.260 -7.629 10.125 1.00 0.00 O ATOM 187 CB LEU A 10 -2.411 -7.749 8.599 1.00 0.00 C ATOM 188 CG LEU A 10 -3.318 -7.732 7.371 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.767 -8.644 6.283 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.735 -8.142 7.748 1.00 0.00 C ATOM 0 H LEU A 10 -0.332 -7.686 7.153 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.832 -5.660 8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.904 -8.713 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.033 -7.676 9.491 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.347 -6.715 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.428 -8.618 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.773 -8.304 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.705 -9.665 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.367 -8.124 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.724 -9.149 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.130 -7.447 8.489 1.00 0.00 H new ATOM 241 N GLU A 14 5.363 -9.105 8.203 1.00 0.00 N ATOM 242 CA GLU A 14 6.422 -10.083 8.001 1.00 0.00 C ATOM 243 C GLU A 14 5.964 -11.146 7.011 1.00 0.00 C ATOM 244 O GLU A 14 6.611 -11.384 5.991 1.00 0.00 O ATOM 245 CB GLU A 14 6.812 -10.733 9.330 1.00 0.00 C ATOM 246 CG GLU A 14 8.096 -11.543 9.256 1.00 0.00 C ATOM 247 CD GLU A 14 8.428 -12.228 10.567 1.00 0.00 C ATOM 248 OE1 GLU A 14 7.495 -12.733 11.227 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.621 -12.262 10.934 1.00 0.00 O ATOM 0 HA GLU A 14 7.297 -9.573 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.925 -9.956 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.001 -11.382 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.003 -12.294 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.920 -10.887 8.974 1.00 0.00 H new ATOM 256 N GLN A 15 4.836 -11.773 7.322 1.00 0.00 N ATOM 257 CA GLN A 15 4.271 -12.806 6.464 1.00 0.00 C ATOM 258 C GLN A 15 2.768 -12.634 6.303 1.00 0.00 C ATOM 259 O GLN A 15 2.164 -13.284 5.448 1.00 0.00 O ATOM 260 CB GLN A 15 4.586 -14.197 7.018 1.00 0.00 C ATOM 261 CG GLN A 15 4.112 -14.402 8.448 1.00 0.00 C ATOM 262 CD GLN A 15 3.052 -15.482 8.563 1.00 0.00 C ATOM 263 OE1 GLN A 15 2.450 -15.885 7.568 1.00 0.00 O ATOM 264 NE2 GLN A 15 2.819 -15.954 9.783 1.00 0.00 N ATOM 0 H GLN A 15 4.294 -11.583 8.165 1.00 0.00 H new ATOM 0 HA GLN A 15 4.730 -12.705 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.122 -14.948 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.663 -14.362 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.964 -14.666 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.712 -13.464 8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.342 -15.590 10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.117 -16.680 9.923 1.00 0.00 H new ATOM 273 N HIS A 16 2.153 -11.739 7.080 1.00 0.00 N ATOM 274 CA HIS A 16 0.728 -11.519 6.919 1.00 0.00 C ATOM 275 C HIS A 16 0.538 -10.254 6.108 1.00 0.00 C ATOM 276 O HIS A 16 0.994 -9.177 6.492 1.00 0.00 O ATOM 277 CB HIS A 16 0.066 -11.367 8.291 1.00 0.00 C ATOM 278 CG HIS A 16 -1.423 -11.238 8.252 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.162 -10.838 9.345 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.313 -11.444 7.252 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.441 -10.802 9.022 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.561 -11.166 7.758 1.00 0.00 N ATOM 0 H HIS A 16 2.606 -11.177 7.800 1.00 0.00 H new ATOM 0 HA HIS A 16 0.269 -12.366 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.327 -12.230 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.481 -10.488 8.785 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.085 -11.766 6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.251 -10.523 9.679 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.438 -11.230 7.241 1.00 0.00 H new ATOM 291 N PHE A 17 -0.133 -10.395 4.983 1.00 0.00 N ATOM 292 CA PHE A 17 -0.383 -9.272 4.106 1.00 0.00 C ATOM 293 C PHE A 17 -1.739 -9.370 3.447 1.00 0.00 C ATOM 294 O PHE A 17 -2.301 -10.456 3.308 1.00 0.00 O ATOM 295 CB PHE A 17 0.702 -9.173 3.044 1.00 0.00 C ATOM 296 CG PHE A 17 0.989 -10.484 2.395 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.058 -11.258 2.825 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.184 -10.950 1.361 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.328 -12.474 2.242 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.453 -12.172 0.769 1.00 0.00 C ATOM 301 CZ PHE A 17 1.527 -12.935 1.209 1.00 0.00 C ATOM 0 H PHE A 17 -0.516 -11.281 4.654 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.370 -8.371 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.397 -8.454 2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.615 -8.788 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.686 -10.901 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.652 -10.358 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.161 -13.068 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.172 -12.532 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.738 -13.888 0.746 1.00 0.00 H new ATOM 311 N THR A 18 -2.224 -8.242 2.978 1.00 0.00 N ATOM 312 CA THR A 18 -3.473 -8.208 2.257 1.00 0.00 C ATOM 313 C THR A 18 -3.295 -7.364 1.007 1.00 0.00 C ATOM 314 O THR A 18 -3.038 -6.163 1.087 1.00 0.00 O ATOM 315 CB THR A 18 -4.608 -7.665 3.126 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.856 -7.822 2.474 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.450 -6.198 3.467 1.00 0.00 C ATOM 0 H THR A 18 -1.770 -7.335 3.084 1.00 0.00 H new ATOM 0 HA THR A 18 -3.749 -9.224 1.976 1.00 0.00 H new ATOM 0 HB THR A 18 -4.569 -8.243 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.382 -8.508 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.288 -5.876 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.518 -6.050 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.430 -5.611 2.549 1.00 0.00 H new ATOM 325 N GLU A 19 -3.407 -8.004 -0.147 1.00 0.00 N ATOM 326 CA GLU A 19 -3.229 -7.312 -1.412 1.00 0.00 C ATOM 327 C GLU A 19 -4.561 -6.829 -1.959 1.00 0.00 C ATOM 328 O GLU A 19 -5.612 -7.391 -1.652 1.00 0.00 O ATOM 329 CB GLU A 19 -2.527 -8.221 -2.421 1.00 0.00 C ATOM 330 CG GLU A 19 -2.976 -9.673 -2.371 1.00 0.00 C ATOM 331 CD GLU A 19 -4.484 -9.821 -2.449 1.00 0.00 C ATOM 332 OE1 GLU A 19 -5.026 -9.796 -3.573 1.00 0.00 O ATOM 333 OE2 GLU A 19 -5.122 -9.962 -1.385 1.00 0.00 O ATOM 0 H GLU A 19 -3.620 -8.998 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.602 -6.438 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.701 -7.833 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.452 -8.179 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.518 -10.220 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.617 -10.129 -1.448 1.00 0.00 H new ATOM 340 N VAL A 20 -4.512 -5.759 -2.741 1.00 0.00 N ATOM 341 CA VAL A 20 -5.726 -5.174 -3.295 1.00 0.00 C ATOM 342 C VAL A 20 -5.502 -4.506 -4.652 1.00 0.00 C ATOM 343 O VAL A 20 -4.559 -3.732 -4.825 1.00 0.00 O ATOM 344 CB VAL A 20 -6.292 -4.112 -2.336 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.915 -4.769 -1.116 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.197 -3.129 -1.930 1.00 0.00 C ATOM 0 H VAL A 20 -3.651 -5.281 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.424 -6.001 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.075 -3.557 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.309 -4.001 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.725 -5.427 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.158 -5.351 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.611 -2.383 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.392 -3.667 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.805 -2.634 -2.818 1.00 0.00 H new ATOM 356 N PRO A 21 -6.396 -4.773 -5.626 1.00 0.00 N ATOM 357 CA PRO A 21 -6.331 -4.178 -6.953 1.00 0.00 C ATOM 358 C PRO A 21 -7.132 -2.882 -7.000 1.00 0.00 C ATOM 359 O PRO A 21 -8.362 -2.904 -6.968 1.00 0.00 O ATOM 360 CB PRO A 21 -6.985 -5.249 -7.817 1.00 0.00 C ATOM 361 CG PRO A 21 -8.027 -5.859 -6.933 1.00 0.00 C ATOM 362 CD PRO A 21 -7.570 -5.659 -5.503 1.00 0.00 C ATOM 0 HA PRO A 21 -5.322 -3.914 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.429 -4.818 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.259 -5.992 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.996 -5.387 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.147 -6.920 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.351 -5.205 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.308 -6.606 -5.031 1.00 0.00 H new ATOM 370 N VAL A 22 -6.434 -1.754 -7.042 1.00 0.00 N ATOM 371 CA VAL A 22 -7.098 -0.456 -7.052 1.00 0.00 C ATOM 372 C VAL A 22 -6.812 0.331 -8.324 1.00 0.00 C ATOM 373 O VAL A 22 -5.753 0.201 -8.938 1.00 0.00 O ATOM 374 CB VAL A 22 -6.686 0.398 -5.816 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.434 -0.164 -5.160 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.480 1.868 -6.183 1.00 0.00 C ATOM 0 H VAL A 22 -5.415 -1.711 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.168 -0.662 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.508 0.346 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.167 0.450 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.623 -1.186 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.614 -0.159 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.194 2.429 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.692 1.949 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.407 2.276 -6.586 1.00 0.00 H new ATOM 386 N THR A 23 -7.764 1.184 -8.672 1.00 0.00 N ATOM 387 CA THR A 23 -7.649 2.059 -9.825 1.00 0.00 C ATOM 388 C THR A 23 -7.289 3.448 -9.318 1.00 0.00 C ATOM 389 O THR A 23 -7.341 3.688 -8.113 1.00 0.00 O ATOM 390 CB THR A 23 -8.963 2.088 -10.610 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.888 2.977 -10.009 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.629 0.731 -10.708 1.00 0.00 C ATOM 0 H THR A 23 -8.640 1.288 -8.160 1.00 0.00 H new ATOM 0 HA THR A 23 -6.876 1.696 -10.503 1.00 0.00 H new ATOM 0 HB THR A 23 -8.694 2.418 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.348 3.490 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.555 0.820 -11.276 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.960 0.033 -11.211 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.852 0.362 -9.707 1.00 0.00 H new ATOM 400 N PRO A 24 -6.915 4.393 -10.188 1.00 0.00 N ATOM 401 CA PRO A 24 -6.557 5.731 -9.732 1.00 0.00 C ATOM 402 C PRO A 24 -7.775 6.522 -9.263 1.00 0.00 C ATOM 403 O PRO A 24 -8.104 7.573 -9.815 1.00 0.00 O ATOM 404 CB PRO A 24 -5.908 6.366 -10.952 1.00 0.00 C ATOM 405 CG PRO A 24 -6.499 5.650 -12.121 1.00 0.00 C ATOM 406 CD PRO A 24 -6.810 4.250 -11.653 1.00 0.00 C ATOM 0 HA PRO A 24 -5.895 5.711 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.116 7.435 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.824 6.253 -10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.402 6.153 -12.468 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.802 5.633 -12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.738 3.878 -12.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.024 3.549 -11.933 1.00 0.00 H new ATOM 414 N GLU A 25 -8.431 6.000 -8.229 1.00 0.00 N ATOM 415 CA GLU A 25 -9.611 6.631 -7.652 1.00 0.00 C ATOM 416 C GLU A 25 -9.597 6.464 -6.134 1.00 0.00 C ATOM 417 O GLU A 25 -9.669 7.443 -5.391 1.00 0.00 O ATOM 418 CB GLU A 25 -10.885 6.020 -8.240 1.00 0.00 C ATOM 419 CG GLU A 25 -11.601 6.937 -9.218 1.00 0.00 C ATOM 420 CD GLU A 25 -11.732 6.331 -10.601 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.018 5.119 -10.694 1.00 0.00 O ATOM 422 OE2 GLU A 25 -11.548 7.069 -11.592 1.00 0.00 O ATOM 0 H GLU A 25 -8.159 5.131 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.596 7.694 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.632 5.089 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.566 5.766 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.594 7.169 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.059 7.880 -9.289 1.00 0.00 H new ATOM 429 N THR A 26 -9.481 5.216 -5.683 1.00 0.00 N ATOM 430 CA THR A 26 -9.432 4.923 -4.254 1.00 0.00 C ATOM 431 C THR A 26 -8.000 5.025 -3.751 1.00 0.00 C ATOM 432 O THR A 26 -7.055 4.770 -4.499 1.00 0.00 O ATOM 433 CB THR A 26 -9.985 3.532 -3.959 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.454 2.573 -4.858 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.493 3.462 -4.041 1.00 0.00 C ATOM 0 H THR A 26 -9.419 4.395 -6.285 1.00 0.00 H new ATOM 0 HA THR A 26 -10.052 5.655 -3.737 1.00 0.00 H new ATOM 0 HB THR A 26 -9.683 3.313 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.822 1.689 -4.648 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.823 2.447 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.929 4.150 -3.317 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.816 3.739 -5.045 1.00 0.00 H new ATOM 443 N ILE A 27 -7.835 5.398 -2.489 1.00 0.00 N ATOM 444 CA ILE A 27 -6.493 5.522 -1.923 1.00 0.00 C ATOM 445 C ILE A 27 -6.389 4.977 -0.498 1.00 0.00 C ATOM 446 O ILE A 27 -7.139 5.373 0.392 1.00 0.00 O ATOM 447 CB ILE A 27 -6.088 7.009 -1.886 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.927 7.777 -0.848 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.240 7.636 -3.263 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.405 7.432 -0.837 1.00 0.00 C ATOM 0 H ILE A 27 -8.596 5.617 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.833 4.934 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.040 7.071 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.517 7.584 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.820 8.845 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.950 8.686 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.601 7.112 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.279 7.560 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.911 8.023 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.837 7.653 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.530 6.372 -0.616 1.00 0.00 H new ATOM 462 N CYS A 28 -5.410 4.106 -0.285 1.00 0.00 N ATOM 463 CA CYS A 28 -5.130 3.521 1.028 1.00 0.00 C ATOM 464 C CYS A 28 -6.411 3.211 1.808 1.00 0.00 C ATOM 465 O CYS A 28 -6.389 3.091 3.036 1.00 0.00 O ATOM 466 CB CYS A 28 -4.209 4.423 1.837 1.00 0.00 C ATOM 467 SG CYS A 28 -3.186 3.541 3.039 1.00 0.00 S ATOM 0 H CYS A 28 -4.782 3.781 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.622 2.572 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.559 4.969 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.812 5.163 2.362 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.177 4.194 4.163 1.00 0.00 H new ATOM 473 N ARG A 29 -7.510 3.045 1.089 1.00 0.00 N ATOM 474 CA ARG A 29 -8.786 2.715 1.699 1.00 0.00 C ATOM 475 C ARG A 29 -8.812 1.228 1.932 1.00 0.00 C ATOM 476 O ARG A 29 -9.184 0.745 3.000 1.00 0.00 O ATOM 477 CB ARG A 29 -9.943 3.125 0.785 1.00 0.00 C ATOM 478 CG ARG A 29 -10.173 4.625 0.730 1.00 0.00 C ATOM 479 CD ARG A 29 -11.148 5.072 1.801 1.00 0.00 C ATOM 480 NE ARG A 29 -12.527 4.727 1.462 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.543 4.795 2.320 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.340 5.197 3.568 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.764 4.461 1.928 1.00 0.00 N ATOM 0 H ARG A 29 -7.542 3.135 0.073 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.901 3.253 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.746 2.759 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.856 2.638 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.224 5.146 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.557 4.900 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.881 4.609 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.067 6.150 1.938 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.723 4.415 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.402 5.456 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.122 5.247 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.925 4.152 0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.543 4.513 2.585 1.00 0.00 H new ATOM 497 N ASP A 30 -8.363 0.517 0.915 1.00 0.00 N ATOM 498 CA ASP A 30 -8.273 -0.932 0.979 1.00 0.00 C ATOM 499 C ASP A 30 -7.088 -1.325 1.855 1.00 0.00 C ATOM 500 O ASP A 30 -7.109 -2.356 2.529 1.00 0.00 O ATOM 501 CB ASP A 30 -8.114 -1.521 -0.422 1.00 0.00 C ATOM 502 CG ASP A 30 -9.438 -1.953 -1.021 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.631 -1.756 -2.240 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.282 -2.488 -0.272 1.00 0.00 O ATOM 0 H ASP A 30 -8.053 0.920 0.031 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.191 -1.329 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.648 -0.782 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.441 -2.377 -0.379 1.00 0.00 H new ATOM 509 N VAL A 31 -6.056 -0.479 1.846 1.00 0.00 N ATOM 510 CA VAL A 31 -4.859 -0.715 2.640 1.00 0.00 C ATOM 511 C VAL A 31 -5.179 -0.649 4.132 1.00 0.00 C ATOM 512 O VAL A 31 -4.865 -1.573 4.884 1.00 0.00 O ATOM 513 CB VAL A 31 -3.771 0.332 2.297 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.532 0.175 3.172 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.396 0.248 0.827 1.00 0.00 C ATOM 0 H VAL A 31 -6.030 0.378 1.293 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.487 -1.712 2.403 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.192 1.317 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.795 0.929 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.808 0.301 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.107 -0.818 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.630 0.991 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.011 -0.748 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.277 0.440 0.215 1.00 0.00 H new ATOM 525 N VAL A 32 -5.814 0.442 4.554 1.00 0.00 N ATOM 526 CA VAL A 32 -6.180 0.611 5.957 1.00 0.00 C ATOM 527 C VAL A 32 -7.352 -0.291 6.338 1.00 0.00 C ATOM 528 O VAL A 32 -7.325 -0.956 7.373 1.00 0.00 O ATOM 529 CB VAL A 32 -6.536 2.076 6.277 1.00 0.00 C ATOM 530 CG1 VAL A 32 -6.990 2.213 7.723 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.346 2.978 5.998 1.00 0.00 C ATOM 0 H VAL A 32 -6.084 1.217 3.949 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.308 0.326 6.545 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.360 2.383 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.237 3.254 7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.870 1.592 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.189 1.891 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.610 4.010 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.504 2.672 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.069 2.900 4.947 1.00 0.00 H new ATOM 541 N ASP A 33 -8.383 -0.296 5.500 1.00 0.00 N ATOM 542 CA ASP A 33 -9.576 -1.100 5.751 1.00 0.00 C ATOM 543 C ASP A 33 -9.230 -2.567 5.998 1.00 0.00 C ATOM 544 O ASP A 33 -9.784 -3.196 6.901 1.00 0.00 O ATOM 545 CB ASP A 33 -10.546 -0.990 4.574 1.00 0.00 C ATOM 546 CG ASP A 33 -11.846 -1.732 4.820 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.291 -1.780 5.986 1.00 0.00 O ATOM 548 OD2 ASP A 33 -12.417 -2.268 3.847 1.00 0.00 O ATOM 0 H ASP A 33 -8.417 0.249 4.638 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.049 -0.709 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.762 0.061 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.070 -1.386 3.677 1.00 0.00 H new ATOM 553 N LEU A 34 -8.331 -3.116 5.187 1.00 0.00 N ATOM 554 CA LEU A 34 -7.945 -4.516 5.329 1.00 0.00 C ATOM 555 C LEU A 34 -6.897 -4.711 6.421 1.00 0.00 C ATOM 556 O LEU A 34 -6.902 -5.728 7.115 1.00 0.00 O ATOM 557 CB LEU A 34 -7.418 -5.058 3.999 1.00 0.00 C ATOM 558 CG LEU A 34 -8.499 -5.451 2.990 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.917 -5.528 1.588 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.133 -6.777 3.380 1.00 0.00 C ATOM 0 H LEU A 34 -7.860 -2.619 4.431 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.836 -5.071 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.775 -4.304 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.795 -5.929 4.200 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.274 -4.684 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.700 -5.809 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.510 -4.556 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.123 -6.274 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.900 -7.042 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.369 -7.554 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.586 -6.687 4.367 1.00 0.00 H new ATOM 572 N CYS A 35 -5.994 -3.746 6.573 1.00 0.00 N ATOM 573 CA CYS A 35 -4.951 -3.846 7.583 1.00 0.00 C ATOM 574 C CYS A 35 -5.277 -3.008 8.811 1.00 0.00 C ATOM 575 O CYS A 35 -4.393 -2.425 9.438 1.00 0.00 O ATOM 576 CB CYS A 35 -3.607 -3.418 7.001 1.00 0.00 C ATOM 577 SG CYS A 35 -2.986 -4.499 5.693 1.00 0.00 S ATOM 0 H CYS A 35 -5.965 -2.894 6.014 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.893 -4.889 7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.701 -2.406 6.606 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.872 -3.380 7.805 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.486 -4.130 4.551 1.00 0.00 H new ATOM 583 N LYS A 36 -6.553 -2.969 9.154 1.00 0.00 N ATOM 584 CA LYS A 36 -7.013 -2.218 10.316 1.00 0.00 C ATOM 585 C LYS A 36 -7.112 -3.126 11.538 1.00 0.00 C ATOM 586 O LYS A 36 -6.696 -4.284 11.498 1.00 0.00 O ATOM 587 CB LYS A 36 -8.370 -1.570 10.031 1.00 0.00 C ATOM 588 CG LYS A 36 -8.393 -0.072 10.291 1.00 0.00 C ATOM 589 CD LYS A 36 -9.812 0.438 10.484 1.00 0.00 C ATOM 590 CE LYS A 36 -10.599 0.394 9.185 1.00 0.00 C ATOM 591 NZ LYS A 36 -10.502 1.673 8.429 1.00 0.00 N ATOM 0 H LYS A 36 -7.294 -3.450 8.644 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.286 -1.433 10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.641 -1.755 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.130 -2.050 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.800 0.154 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.928 0.451 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.318 -0.165 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.785 1.461 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.229 -0.422 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.645 0.180 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.429 2.145 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.801 2.292 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.208 1.477 7.451 1.00 0.00 H new ATOM 679 N CYS A 43 -3.833 6.337 11.528 1.00 0.00 N ATOM 680 CA CYS A 43 -2.851 5.367 11.060 1.00 0.00 C ATOM 681 C CYS A 43 -2.454 5.646 9.613 1.00 0.00 C ATOM 682 O CYS A 43 -3.289 6.034 8.796 1.00 0.00 O ATOM 683 CB CYS A 43 -3.406 3.946 11.183 1.00 0.00 C ATOM 684 SG CYS A 43 -4.865 3.633 10.162 1.00 0.00 S ATOM 0 HA CYS A 43 -1.963 5.459 11.685 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.625 3.237 10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.658 3.755 12.226 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.891 4.475 9.172 1.00 0.00 H new ATOM 690 N HIS A 44 -1.177 5.447 9.306 1.00 0.00 N ATOM 691 CA HIS A 44 -0.669 5.678 7.957 1.00 0.00 C ATOM 692 C HIS A 44 -0.091 4.394 7.366 1.00 0.00 C ATOM 693 O HIS A 44 0.283 3.475 8.096 1.00 0.00 O ATOM 694 CB HIS A 44 0.386 6.795 7.964 1.00 0.00 C ATOM 695 CG HIS A 44 1.800 6.309 8.107 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.525 5.778 7.060 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.622 6.281 9.184 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.730 5.444 7.487 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.814 5.740 8.772 1.00 0.00 N ATOM 0 H HIS A 44 -0.474 5.126 9.972 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.502 5.994 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.302 7.364 7.038 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.166 7.482 8.781 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.184 5.662 6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.383 6.621 10.181 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.513 5.004 6.888 1.00 0.00 H new ATOM 708 N LEU A 45 -0.011 4.345 6.041 1.00 0.00 N ATOM 709 CA LEU A 45 0.532 3.184 5.353 1.00 0.00 C ATOM 710 C LEU A 45 1.999 3.435 5.029 1.00 0.00 C ATOM 711 O LEU A 45 2.397 4.575 4.829 1.00 0.00 O ATOM 712 CB LEU A 45 -0.287 2.901 4.086 1.00 0.00 C ATOM 713 CG LEU A 45 0.455 2.207 2.939 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.766 0.764 3.293 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.367 2.270 1.661 1.00 0.00 C ATOM 0 H LEU A 45 -0.316 5.097 5.423 1.00 0.00 H new ATOM 0 HA LEU A 45 0.468 2.303 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.143 2.285 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.682 3.847 3.715 1.00 0.00 H new ATOM 0 HG LEU A 45 1.397 2.731 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.293 0.291 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.392 0.735 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.164 0.228 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.174 1.773 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.323 1.771 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.542 3.312 1.392 1.00 0.00 H new ATOM 727 N ALA A 46 2.805 2.382 5.012 1.00 0.00 N ATOM 728 CA ALA A 46 4.233 2.524 4.740 1.00 0.00 C ATOM 729 C ALA A 46 4.634 1.856 3.427 1.00 0.00 C ATOM 730 O ALA A 46 3.992 0.896 2.984 1.00 0.00 O ATOM 731 CB ALA A 46 5.046 1.953 5.892 1.00 0.00 C ATOM 0 H ALA A 46 2.499 1.424 5.182 1.00 0.00 H new ATOM 0 HA ALA A 46 4.444 3.589 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.109 2.065 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.803 2.489 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.810 0.896 6.015 1.00 0.00 H new ATOM 737 N GLU A 47 5.712 2.362 2.817 1.00 0.00 N ATOM 738 CA GLU A 47 6.225 1.806 1.566 1.00 0.00 C ATOM 739 C GLU A 47 7.717 1.494 1.693 1.00 0.00 C ATOM 740 O GLU A 47 8.542 2.401 1.783 1.00 0.00 O ATOM 741 CB GLU A 47 6.013 2.789 0.421 1.00 0.00 C ATOM 742 CG GLU A 47 6.438 4.209 0.745 1.00 0.00 C ATOM 743 CD GLU A 47 5.767 5.236 -0.142 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.712 6.418 0.257 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.298 4.859 -1.236 1.00 0.00 O ATOM 0 H GLU A 47 6.244 3.156 3.172 1.00 0.00 H new ATOM 0 HA GLU A 47 5.681 0.885 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.570 2.443 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.958 2.789 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.203 4.426 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.519 4.294 0.638 1.00 0.00 H new ATOM 752 N VAL A 48 8.057 0.208 1.681 1.00 0.00 N ATOM 753 CA VAL A 48 9.452 -0.221 1.777 1.00 0.00 C ATOM 754 C VAL A 48 9.839 -1.103 0.603 1.00 0.00 C ATOM 755 O VAL A 48 9.213 -2.141 0.374 1.00 0.00 O ATOM 756 CB VAL A 48 9.756 -0.971 3.091 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.261 -1.088 3.297 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.098 -0.277 4.276 1.00 0.00 C ATOM 0 H VAL A 48 7.386 -0.557 1.606 1.00 0.00 H new ATOM 0 HA VAL A 48 10.045 0.693 1.762 1.00 0.00 H new ATOM 0 HB VAL A 48 9.339 -1.976 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.461 -1.619 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.701 -1.637 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.700 -0.092 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.326 -0.824 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.478 0.742 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.018 -0.251 4.129 1.00 0.00 H new ATOM 768 N TRP A 49 10.868 -0.714 -0.138 1.00 0.00 N ATOM 769 CA TRP A 49 11.303 -1.523 -1.265 1.00 0.00 C ATOM 770 C TRP A 49 12.817 -1.467 -1.463 1.00 0.00 C ATOM 771 O TRP A 49 13.388 -0.396 -1.661 1.00 0.00 O ATOM 772 CB TRP A 49 10.550 -1.108 -2.532 1.00 0.00 C ATOM 773 CG TRP A 49 11.408 -0.622 -3.645 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.131 -1.366 -4.525 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.612 0.729 -3.989 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.779 -0.539 -5.410 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.476 0.764 -5.093 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.134 1.911 -3.454 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.878 1.961 -5.677 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.528 3.106 -4.027 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.396 3.123 -5.130 1.00 0.00 C ATOM 0 H TRP A 49 11.406 0.138 0.017 1.00 0.00 H new ATOM 0 HA TRP A 49 11.062 -2.563 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.970 -1.960 -2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.839 -0.324 -2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.187 -2.445 -4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.383 -0.841 -6.174 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.466 1.901 -2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.543 1.975 -6.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.163 4.038 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.690 4.070 -5.557 1.00 0.00 H new ATOM 792 N CYS A 50 13.457 -2.635 -1.418 1.00 0.00 N ATOM 793 CA CYS A 50 14.905 -2.736 -1.605 1.00 0.00 C ATOM 794 C CYS A 50 15.652 -1.649 -0.832 1.00 0.00 C ATOM 795 O CYS A 50 16.482 -0.933 -1.393 1.00 0.00 O ATOM 796 CB CYS A 50 15.251 -2.646 -3.092 1.00 0.00 C ATOM 797 SG CYS A 50 15.073 -4.206 -3.988 1.00 0.00 S ATOM 0 H CYS A 50 12.994 -3.529 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 50 15.221 -3.703 -1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.611 -1.897 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.278 -2.296 -3.194 1.00 0.00 H new ATOM 0 HG CYS A 50 15.386 -4.027 -5.237 1.00 0.00 H new ATOM 803 N GLY A 51 15.357 -1.536 0.458 1.00 0.00 N ATOM 804 CA GLY A 51 16.016 -0.538 1.280 1.00 0.00 C ATOM 805 C GLY A 51 15.369 0.832 1.182 1.00 0.00 C ATOM 806 O GLY A 51 15.749 1.752 1.906 1.00 0.00 O ATOM 0 H GLY A 51 14.676 -2.115 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.004 -0.866 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.062 -0.462 0.982 1.00 0.00 H new ATOM 810 N SER A 52 14.386 0.972 0.296 1.00 0.00 N ATOM 811 CA SER A 52 13.694 2.244 0.128 1.00 0.00 C ATOM 812 C SER A 52 12.428 2.267 0.969 1.00 0.00 C ATOM 813 O SER A 52 11.382 1.780 0.543 1.00 0.00 O ATOM 814 CB SER A 52 13.341 2.479 -1.345 1.00 0.00 C ATOM 815 OG SER A 52 13.774 3.758 -1.775 1.00 0.00 O ATOM 0 H SER A 52 14.053 0.224 -0.313 1.00 0.00 H new ATOM 0 HA SER A 52 14.360 3.041 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.805 1.708 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.263 2.391 -1.483 1.00 0.00 H new ATOM 0 HG SER A 52 13.281 4.016 -2.581 1.00 0.00 H new ATOM 821 N GLU A 53 12.528 2.837 2.162 1.00 0.00 N ATOM 822 CA GLU A 53 11.386 2.921 3.061 1.00 0.00 C ATOM 823 C GLU A 53 10.905 4.365 3.189 1.00 0.00 C ATOM 824 O GLU A 53 11.691 5.266 3.485 1.00 0.00 O ATOM 825 CB GLU A 53 11.754 2.368 4.439 1.00 0.00 C ATOM 826 CG GLU A 53 10.619 2.432 5.447 1.00 0.00 C ATOM 827 CD GLU A 53 10.685 3.667 6.323 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.794 4.007 6.788 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.629 4.296 6.544 1.00 0.00 O ATOM 0 H GLU A 53 13.387 3.247 2.529 1.00 0.00 H new ATOM 0 HA GLU A 53 10.577 2.322 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.074 1.332 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.606 2.926 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.667 2.418 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.647 1.543 6.077 1.00 0.00 H new ATOM 836 N ARG A 54 9.615 4.577 2.960 1.00 0.00 N ATOM 837 CA ARG A 54 9.027 5.910 3.043 1.00 0.00 C ATOM 838 C ARG A 54 7.614 5.841 3.618 1.00 0.00 C ATOM 839 O ARG A 54 6.939 4.820 3.504 1.00 0.00 O ATOM 840 CB ARG A 54 8.992 6.569 1.660 1.00 0.00 C ATOM 841 CG ARG A 54 10.369 6.845 1.077 1.00 0.00 C ATOM 842 CD ARG A 54 10.434 6.483 -0.398 1.00 0.00 C ATOM 843 NE ARG A 54 11.792 6.585 -0.929 1.00 0.00 N ATOM 844 CZ ARG A 54 12.087 6.526 -2.226 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.125 6.364 -3.126 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.348 6.628 -2.623 1.00 0.00 N ATOM 0 H ARG A 54 8.953 3.841 2.714 1.00 0.00 H new ATOM 0 HA ARG A 54 9.648 6.512 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.440 5.925 0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.442 7.508 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.614 7.899 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.118 6.275 1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.066 5.467 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.774 7.142 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 54 12.558 6.709 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.154 6.284 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.357 6.320 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.091 6.752 -1.935 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.575 6.583 -3.616 1.00 0.00 H new ATOM 860 N PRO A 55 7.147 6.926 4.256 1.00 0.00 N ATOM 861 CA PRO A 55 5.812 6.976 4.848 1.00 0.00 C ATOM 862 C PRO A 55 4.737 7.336 3.822 1.00 0.00 C ATOM 863 O PRO A 55 4.752 8.429 3.254 1.00 0.00 O ATOM 864 CB PRO A 55 5.951 8.084 5.886 1.00 0.00 C ATOM 865 CG PRO A 55 6.946 9.026 5.295 1.00 0.00 C ATOM 866 CD PRO A 55 7.884 8.190 4.456 1.00 0.00 C ATOM 0 HA PRO A 55 5.500 6.015 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.997 8.578 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.296 7.691 6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.450 9.782 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.492 9.554 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.111 8.675 3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.834 8.023 4.964 1.00 0.00 H new ATOM 874 N VAL A 56 3.802 6.417 3.593 1.00 0.00 N ATOM 875 CA VAL A 56 2.718 6.652 2.640 1.00 0.00 C ATOM 876 C VAL A 56 1.441 7.095 3.357 1.00 0.00 C ATOM 877 O VAL A 56 0.992 6.465 4.324 1.00 0.00 O ATOM 878 CB VAL A 56 2.413 5.415 1.734 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.282 4.210 2.091 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.929 5.045 1.782 1.00 0.00 C ATOM 0 H VAL A 56 3.772 5.506 4.052 1.00 0.00 H new ATOM 0 HA VAL A 56 3.066 7.452 1.987 1.00 0.00 H new ATOM 0 HB VAL A 56 2.662 5.704 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.034 3.376 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.333 4.470 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.099 3.924 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.748 4.181 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.647 4.802 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.332 5.887 1.432 1.00 0.00 H new ATOM 890 N ALA A 57 0.853 8.177 2.860 1.00 0.00 N ATOM 891 CA ALA A 57 -0.374 8.717 3.424 1.00 0.00 C ATOM 892 C ALA A 57 -1.577 7.909 2.961 1.00 0.00 C ATOM 893 O ALA A 57 -1.597 7.391 1.843 1.00 0.00 O ATOM 894 CB ALA A 57 -0.532 10.172 3.024 1.00 0.00 C ATOM 0 H ALA A 57 1.211 8.700 2.061 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.316 8.653 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.453 10.569 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.317 10.746 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.573 10.248 1.937 1.00 0.00 H new ATOM 900 N ASP A 58 -2.578 7.794 3.824 1.00 0.00 N ATOM 901 CA ASP A 58 -3.768 7.031 3.485 1.00 0.00 C ATOM 902 C ASP A 58 -4.508 7.624 2.294 1.00 0.00 C ATOM 903 O ASP A 58 -5.408 6.993 1.745 1.00 0.00 O ATOM 904 CB ASP A 58 -4.722 6.930 4.672 1.00 0.00 C ATOM 905 CG ASP A 58 -4.008 6.595 5.967 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.440 5.486 6.062 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.017 7.442 6.885 1.00 0.00 O ATOM 0 H ASP A 58 -2.589 8.215 4.753 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.424 6.032 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.253 7.875 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.472 6.166 4.467 1.00 0.00 H new ATOM 912 N ASN A 59 -4.149 8.839 1.902 1.00 0.00 N ATOM 913 CA ASN A 59 -4.816 9.490 0.784 1.00 0.00 C ATOM 914 C ASN A 59 -4.023 9.348 -0.518 1.00 0.00 C ATOM 915 O ASN A 59 -4.260 10.087 -1.474 1.00 0.00 O ATOM 916 CB ASN A 59 -5.048 10.969 1.095 1.00 0.00 C ATOM 917 CG ASN A 59 -6.439 11.430 0.708 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.408 10.677 0.815 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.546 12.674 0.256 1.00 0.00 N ATOM 0 H ASN A 59 -3.408 9.389 2.336 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.776 8.993 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.894 11.142 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.309 11.569 0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.457 13.040 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.717 13.263 0.184 1.00 0.00 H new ATOM 926 N GLU A 60 -3.085 8.405 -0.558 1.00 0.00 N ATOM 927 CA GLU A 60 -2.275 8.192 -1.754 1.00 0.00 C ATOM 928 C GLU A 60 -2.902 7.141 -2.673 1.00 0.00 C ATOM 929 O GLU A 60 -3.187 6.021 -2.247 1.00 0.00 O ATOM 930 CB GLU A 60 -0.861 7.771 -1.357 1.00 0.00 C ATOM 931 CG GLU A 60 -0.180 8.740 -0.404 1.00 0.00 C ATOM 932 CD GLU A 60 1.158 9.229 -0.924 1.00 0.00 C ATOM 933 OE1 GLU A 60 2.027 9.572 -0.095 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.337 9.268 -2.159 1.00 0.00 O ATOM 0 H GLU A 60 -2.868 7.780 0.218 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.230 9.132 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.902 6.786 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.254 7.674 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.834 9.595 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.034 8.253 0.560 1.00 0.00 H new ATOM 941 N ARG A 61 -3.115 7.513 -3.935 1.00 0.00 N ATOM 942 CA ARG A 61 -3.711 6.609 -4.921 1.00 0.00 C ATOM 943 C ARG A 61 -2.769 5.445 -5.231 1.00 0.00 C ATOM 944 O ARG A 61 -1.550 5.615 -5.248 1.00 0.00 O ATOM 945 CB ARG A 61 -4.039 7.377 -6.208 1.00 0.00 C ATOM 946 CG ARG A 61 -5.515 7.369 -6.572 1.00 0.00 C ATOM 947 CD ARG A 61 -5.971 8.729 -7.076 1.00 0.00 C ATOM 948 NE ARG A 61 -6.508 9.559 -6.000 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.595 10.886 -6.058 1.00 0.00 C ATOM 950 NH1 ARG A 61 -6.188 11.538 -7.140 1.00 0.00 N ATOM 951 NH2 ARG A 61 -7.093 11.562 -5.032 1.00 0.00 N ATOM 0 H ARG A 61 -2.883 8.437 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.632 6.203 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.708 8.410 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.470 6.946 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.698 6.616 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.105 7.086 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.131 9.242 -7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.732 8.594 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.836 9.094 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.806 11.022 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.257 12.555 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.409 11.065 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.160 12.579 -5.076 1.00 0.00 H new ATOM 965 N MET A 62 -3.342 4.267 -5.493 1.00 0.00 N ATOM 966 CA MET A 62 -2.551 3.072 -5.813 1.00 0.00 C ATOM 967 C MET A 62 -1.285 3.452 -6.572 1.00 0.00 C ATOM 968 O MET A 62 -0.212 3.614 -5.988 1.00 0.00 O ATOM 969 CB MET A 62 -3.393 2.095 -6.640 1.00 0.00 C ATOM 970 CG MET A 62 -2.588 1.031 -7.378 1.00 0.00 C ATOM 971 SD MET A 62 -1.265 0.321 -6.378 1.00 0.00 S ATOM 972 CE MET A 62 -0.957 -1.193 -7.276 1.00 0.00 C ATOM 0 H MET A 62 -4.350 4.114 -5.490 1.00 0.00 H new ATOM 0 HA MET A 62 -2.258 2.588 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.105 1.600 -5.979 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.974 2.662 -7.367 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.259 0.235 -7.699 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.159 1.469 -8.279 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.161 -1.752 -6.785 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.865 -1.796 -7.295 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.657 -0.956 -8.297 1.00 0.00 H new ATOM 982 N PHE A 63 -1.433 3.610 -7.874 1.00 0.00 N ATOM 983 CA PHE A 63 -0.316 3.987 -8.736 1.00 0.00 C ATOM 984 C PHE A 63 0.329 5.284 -8.256 1.00 0.00 C ATOM 985 O PHE A 63 1.527 5.487 -8.447 1.00 0.00 O ATOM 986 CB PHE A 63 -0.778 4.154 -10.187 1.00 0.00 C ATOM 987 CG PHE A 63 -1.840 3.179 -10.599 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.170 3.443 -10.331 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.507 1.998 -11.239 1.00 0.00 C ATOM 990 CE1 PHE A 63 -4.154 2.546 -10.695 1.00 0.00 C ATOM 991 CE2 PHE A 63 -2.487 1.096 -11.609 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.813 1.371 -11.335 1.00 0.00 C ATOM 0 H PHE A 63 -2.318 3.484 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 63 0.421 3.185 -8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.155 5.167 -10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.082 4.042 -10.848 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.442 4.361 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.471 1.779 -11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.190 2.763 -10.479 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.217 0.179 -12.111 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.581 0.668 -11.621 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.455 6.160 -7.620 1.00 0.00 N ATOM 1003 CA ASP A 64 0.087 7.425 -7.134 1.00 0.00 C ATOM 1004 C ASP A 64 1.279 7.166 -6.231 1.00 0.00 C ATOM 1005 O ASP A 64 2.299 7.851 -6.308 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.972 8.239 -6.390 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.725 9.182 -7.309 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.701 8.959 -8.538 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.338 10.143 -6.800 1.00 0.00 O ATOM 0 H ASP A 64 -1.448 6.018 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 64 0.408 8.007 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.678 7.561 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.494 8.813 -5.596 1.00 0.00 H new ATOM 1014 N VAL A 65 1.153 6.141 -5.401 1.00 0.00 N ATOM 1015 CA VAL A 65 2.227 5.747 -4.506 1.00 0.00 C ATOM 1016 C VAL A 65 3.257 4.947 -5.289 1.00 0.00 C ATOM 1017 O VAL A 65 4.435 4.903 -4.941 1.00 0.00 O ATOM 1018 CB VAL A 65 1.710 4.874 -3.342 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.743 4.804 -2.229 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.378 5.391 -2.814 1.00 0.00 C ATOM 0 H VAL A 65 0.313 5.566 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 65 2.666 6.653 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 65 1.546 3.866 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.362 4.185 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.665 4.369 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.944 5.808 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.040 4.756 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.501 6.412 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.362 5.375 -3.615 1.00 0.00 H new ATOM 1030 N LEU A 66 2.775 4.311 -6.352 1.00 0.00 N ATOM 1031 CA LEU A 66 3.592 3.483 -7.221 1.00 0.00 C ATOM 1032 C LEU A 66 4.448 4.320 -8.173 1.00 0.00 C ATOM 1033 O LEU A 66 5.330 3.792 -8.850 1.00 0.00 O ATOM 1034 CB LEU A 66 2.656 2.570 -8.012 1.00 0.00 C ATOM 1035 CG LEU A 66 2.126 1.351 -7.250 1.00 0.00 C ATOM 1036 CD1 LEU A 66 1.433 0.395 -8.204 1.00 0.00 C ATOM 1037 CD2 LEU A 66 3.245 0.639 -6.503 1.00 0.00 C ATOM 0 H LEU A 66 1.796 4.359 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 66 4.283 2.899 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.806 3.160 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.182 2.221 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 66 1.402 1.701 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.061 -0.467 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.598 0.904 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.141 0.061 -8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.838 -0.222 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.000 0.303 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.699 1.325 -5.788 1.00 0.00 H new ATOM 1049 N GLN A 67 4.178 5.620 -8.231 1.00 0.00 N ATOM 1050 CA GLN A 67 4.917 6.516 -9.114 1.00 0.00 C ATOM 1051 C GLN A 67 6.206 7.023 -8.465 1.00 0.00 C ATOM 1052 O GLN A 67 7.120 7.466 -9.160 1.00 0.00 O ATOM 1053 CB GLN A 67 4.036 7.702 -9.516 1.00 0.00 C ATOM 1054 CG GLN A 67 3.561 7.643 -10.959 1.00 0.00 C ATOM 1055 CD GLN A 67 3.802 8.941 -11.706 1.00 0.00 C ATOM 1056 OE1 GLN A 67 2.860 9.599 -12.149 1.00 0.00 O ATOM 1057 NE2 GLN A 67 5.068 9.316 -11.849 1.00 0.00 N ATOM 0 H GLN A 67 3.453 6.077 -7.677 1.00 0.00 H new ATOM 0 HA GLN A 67 5.194 5.947 -10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.168 7.739 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.593 8.626 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.075 6.831 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.496 7.409 -10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.817 8.740 -11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.291 10.180 -12.342 1.00 0.00 H new ATOM 1066 N ARG A 68 6.276 6.973 -7.137 1.00 0.00 N ATOM 1067 CA ARG A 68 7.456 7.447 -6.427 1.00 0.00 C ATOM 1068 C ARG A 68 8.537 6.371 -6.344 1.00 0.00 C ATOM 1069 O ARG A 68 9.727 6.684 -6.314 1.00 0.00 O ATOM 1070 CB ARG A 68 7.079 7.923 -5.027 1.00 0.00 C ATOM 1071 CG ARG A 68 6.586 6.817 -4.114 1.00 0.00 C ATOM 1072 CD ARG A 68 7.187 6.949 -2.728 1.00 0.00 C ATOM 1073 NE ARG A 68 6.743 8.164 -2.050 1.00 0.00 N ATOM 1074 CZ ARG A 68 5.494 8.372 -1.638 1.00 0.00 C ATOM 1075 NH1 ARG A 68 4.564 7.444 -1.819 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.177 9.511 -1.037 1.00 0.00 N ATOM 0 H ARG A 68 5.535 6.612 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 68 7.864 8.285 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.947 8.399 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.304 8.685 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.499 6.853 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.848 5.847 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.913 6.080 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.274 6.953 -2.804 1.00 0.00 H new ATOM 0 HE ARG A 68 7.431 8.898 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.804 6.564 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.609 7.610 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.890 10.226 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.221 9.672 -0.721 1.00 0.00 H new ATOM 1090 N PHE A 69 8.128 5.105 -6.316 1.00 0.00 N ATOM 1091 CA PHE A 69 9.086 4.005 -6.245 1.00 0.00 C ATOM 1092 C PHE A 69 9.998 4.010 -7.473 1.00 0.00 C ATOM 1093 O PHE A 69 11.073 3.413 -7.461 1.00 0.00 O ATOM 1094 CB PHE A 69 8.366 2.657 -6.143 1.00 0.00 C ATOM 1095 CG PHE A 69 7.524 2.501 -4.907 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.065 2.001 -3.730 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.187 2.844 -4.929 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.285 1.850 -2.598 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.400 2.696 -3.804 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.947 2.201 -2.640 1.00 0.00 C ATOM 0 H PHE A 69 7.150 4.817 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 69 9.691 4.146 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.731 2.529 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.108 1.859 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.109 1.726 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.751 3.233 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.717 1.461 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.355 2.968 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.331 2.087 -1.760 1.00 0.00 H new ATOM 1110 N GLY A 70 9.558 4.684 -8.533 1.00 0.00 N ATOM 1111 CA GLY A 70 10.343 4.750 -9.750 1.00 0.00 C ATOM 1112 C GLY A 70 9.696 3.997 -10.894 1.00 0.00 C ATOM 1113 O GLY A 70 9.461 4.559 -11.964 1.00 0.00 O ATOM 0 H GLY A 70 8.671 5.185 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.479 5.793 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.335 4.339 -9.562 1.00 0.00 H new ATOM 1117 N SER A 71 9.407 2.721 -10.666 1.00 0.00 N ATOM 1118 CA SER A 71 8.781 1.880 -11.679 1.00 0.00 C ATOM 1119 C SER A 71 8.545 0.473 -11.142 1.00 0.00 C ATOM 1120 O SER A 71 7.523 -0.150 -11.428 1.00 0.00 O ATOM 1121 CB SER A 71 9.654 1.817 -12.936 1.00 0.00 C ATOM 1122 OG SER A 71 9.009 1.094 -13.970 1.00 0.00 O ATOM 0 H SER A 71 9.597 2.245 -9.784 1.00 0.00 H new ATOM 0 HA SER A 71 7.818 2.321 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.876 2.827 -13.279 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.607 1.344 -12.697 1.00 0.00 H new ATOM 0 HG SER A 71 9.586 1.070 -14.762 1.00 0.00 H new ATOM 1128 N GLN A 72 9.501 -0.021 -10.361 1.00 0.00 N ATOM 1129 CA GLN A 72 9.405 -1.354 -9.780 1.00 0.00 C ATOM 1130 C GLN A 72 8.311 -1.413 -8.718 1.00 0.00 C ATOM 1131 O GLN A 72 8.570 -1.201 -7.534 1.00 0.00 O ATOM 1132 CB GLN A 72 10.747 -1.762 -9.170 1.00 0.00 C ATOM 1133 CG GLN A 72 11.645 -2.526 -10.131 1.00 0.00 C ATOM 1134 CD GLN A 72 13.103 -2.487 -9.721 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.618 -1.444 -9.316 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.778 -3.625 -9.825 1.00 0.00 N ATOM 0 H GLN A 72 10.353 0.484 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 72 9.146 -2.051 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.269 -0.868 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.564 -2.378 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.314 -3.563 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.541 -2.106 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.311 -4.466 -10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.764 -3.659 -9.564 1.00 0.00 H new ATOM 1145 N ARG A 73 7.089 -1.705 -9.151 1.00 0.00 N ATOM 1146 CA ARG A 73 5.955 -1.797 -8.239 1.00 0.00 C ATOM 1147 C ARG A 73 5.917 -3.169 -7.563 1.00 0.00 C ATOM 1148 O ARG A 73 5.342 -3.323 -6.486 1.00 0.00 O ATOM 1149 CB ARG A 73 4.647 -1.517 -8.999 1.00 0.00 C ATOM 1150 CG ARG A 73 3.408 -2.186 -8.412 1.00 0.00 C ATOM 1151 CD ARG A 73 2.274 -2.238 -9.423 1.00 0.00 C ATOM 1152 NE ARG A 73 2.382 -3.397 -10.305 1.00 0.00 N ATOM 1153 CZ ARG A 73 2.031 -4.632 -9.955 1.00 0.00 C ATOM 1154 NH1 ARG A 73 1.542 -4.872 -8.744 1.00 0.00 N ATOM 1155 NH2 ARG A 73 2.170 -5.630 -10.817 1.00 0.00 N ATOM 0 H ARG A 73 6.859 -1.882 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 73 6.067 -1.045 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.483 -0.440 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.766 -1.847 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.657 -3.197 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.083 -1.640 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.320 -2.270 -8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.278 -1.326 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 73 2.748 -3.251 -11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.434 -4.108 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.274 -5.820 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.546 -5.451 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.901 -6.577 -10.549 1.00 0.00 H new ATOM 1169 N ASN A 74 6.536 -4.161 -8.197 1.00 0.00 N ATOM 1170 CA ASN A 74 6.572 -5.512 -7.648 1.00 0.00 C ATOM 1171 C ASN A 74 7.743 -5.684 -6.679 1.00 0.00 C ATOM 1172 O ASN A 74 8.020 -6.791 -6.216 1.00 0.00 O ATOM 1173 CB ASN A 74 6.669 -6.541 -8.778 1.00 0.00 C ATOM 1174 CG ASN A 74 5.360 -7.272 -9.005 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.532 -7.380 -8.102 1.00 0.00 O ATOM 1176 ND2 ASN A 74 5.168 -7.778 -10.218 1.00 0.00 N ATOM 0 H ASN A 74 7.018 -4.055 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 74 5.647 -5.675 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.967 -6.039 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.450 -7.264 -8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.306 -8.280 -10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.883 -7.664 -10.937 1.00 0.00 H new ATOM 1183 N GLU A 75 8.428 -4.583 -6.374 1.00 0.00 N ATOM 1184 CA GLU A 75 9.566 -4.613 -5.462 1.00 0.00 C ATOM 1185 C GLU A 75 9.242 -3.898 -4.151 1.00 0.00 C ATOM 1186 O GLU A 75 10.001 -3.987 -3.185 1.00 0.00 O ATOM 1187 CB GLU A 75 10.780 -3.943 -6.112 1.00 0.00 C ATOM 1188 CG GLU A 75 12.107 -4.571 -5.717 1.00 0.00 C ATOM 1189 CD GLU A 75 12.486 -5.738 -6.607 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.572 -6.387 -7.158 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.697 -6.004 -6.753 1.00 0.00 O ATOM 0 H GLU A 75 8.213 -3.658 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 75 9.791 -5.657 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.674 -3.991 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.792 -2.888 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.891 -3.815 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.051 -4.911 -4.683 1.00 0.00 H new ATOM 1198 N VAL A 76 8.121 -3.179 -4.129 1.00 0.00 N ATOM 1199 CA VAL A 76 7.706 -2.427 -2.944 1.00 0.00 C ATOM 1200 C VAL A 76 6.758 -3.235 -2.068 1.00 0.00 C ATOM 1201 O VAL A 76 6.078 -4.149 -2.533 1.00 0.00 O ATOM 1202 CB VAL A 76 7.035 -1.078 -3.320 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.666 -1.033 -4.797 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.812 -0.785 -2.445 1.00 0.00 C ATOM 0 H VAL A 76 7.482 -3.101 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 76 8.616 -2.220 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 76 7.770 -0.295 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.199 -0.075 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.566 -1.151 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.969 -1.840 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.373 0.168 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.076 -1.579 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.116 -0.735 -1.400 1.00 0.00 H new ATOM 1214 N ARG A 77 6.709 -2.861 -0.797 1.00 0.00 N ATOM 1215 CA ARG A 77 5.836 -3.506 0.167 1.00 0.00 C ATOM 1216 C ARG A 77 4.972 -2.462 0.860 1.00 0.00 C ATOM 1217 O ARG A 77 5.428 -1.351 1.132 1.00 0.00 O ATOM 1218 CB ARG A 77 6.659 -4.286 1.193 1.00 0.00 C ATOM 1219 CG ARG A 77 7.217 -5.594 0.655 1.00 0.00 C ATOM 1220 CD ARG A 77 7.472 -6.595 1.770 1.00 0.00 C ATOM 1221 NE ARG A 77 8.836 -7.120 1.732 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.896 -6.461 2.194 1.00 0.00 C ATOM 1223 NH1 ARG A 77 9.757 -5.254 2.727 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.101 -7.012 2.121 1.00 0.00 N ATOM 0 H ARG A 77 7.272 -2.104 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 77 5.188 -4.209 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.484 -3.662 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.036 -4.496 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.517 -6.020 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.146 -5.401 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.294 -6.118 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.764 -7.419 1.687 1.00 0.00 H new ATOM 0 HE ARG A 77 8.984 -8.045 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.833 -4.825 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.574 -4.755 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.214 -7.939 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.914 -6.508 2.475 1.00 0.00 H new ATOM 1238 N PHE A 78 3.728 -2.829 1.141 1.00 0.00 N ATOM 1239 CA PHE A 78 2.796 -1.939 1.817 1.00 0.00 C ATOM 1240 C PHE A 78 2.574 -2.458 3.227 1.00 0.00 C ATOM 1241 O PHE A 78 2.446 -3.661 3.427 1.00 0.00 O ATOM 1242 CB PHE A 78 1.475 -1.859 1.052 1.00 0.00 C ATOM 1243 CG PHE A 78 1.541 -0.983 -0.168 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.532 -1.171 -1.119 1.00 0.00 C ATOM 1245 CD2 PHE A 78 0.616 0.029 -0.361 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.596 -0.364 -2.240 1.00 0.00 C ATOM 1247 CE2 PHE A 78 0.676 0.838 -1.479 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.667 0.641 -2.420 1.00 0.00 C ATOM 0 H PHE A 78 3.340 -3.743 0.909 1.00 0.00 H new ATOM 0 HA PHE A 78 3.210 -0.931 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.176 -2.864 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.700 -1.482 1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.261 -1.956 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.162 0.188 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.372 -0.520 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.052 1.624 -1.617 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.715 1.272 -3.295 1.00 0.00 H new ATOM 1258 N PHE A 79 2.586 -1.568 4.209 1.00 0.00 N ATOM 1259 CA PHE A 79 2.435 -1.992 5.603 1.00 0.00 C ATOM 1260 C PHE A 79 1.600 -0.999 6.403 1.00 0.00 C ATOM 1261 O PHE A 79 1.730 0.213 6.236 1.00 0.00 O ATOM 1262 CB PHE A 79 3.824 -2.174 6.231 1.00 0.00 C ATOM 1263 CG PHE A 79 4.922 -2.132 5.203 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.714 -3.238 4.944 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.130 -0.980 4.472 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.692 -3.188 3.973 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.102 -0.918 3.500 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.884 -2.030 3.249 1.00 0.00 C ATOM 0 H PHE A 79 2.697 -0.563 4.076 1.00 0.00 H new ATOM 0 HA PHE A 79 1.903 -2.943 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.992 -1.392 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.860 -3.126 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.565 -4.147 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.519 -0.111 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.307 -4.055 3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.253 -0.008 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.646 -1.992 2.485 1.00 0.00 H new ATOM 1278 N LEU A 80 0.736 -1.519 7.270 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.124 -0.667 8.086 1.00 0.00 C ATOM 1280 C LEU A 80 0.524 -0.363 9.433 1.00 0.00 C ATOM 1281 O LEU A 80 0.765 -1.262 10.238 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.482 -1.341 8.293 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.703 -0.478 7.963 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.933 0.566 9.044 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.543 0.181 6.598 1.00 0.00 C ATOM 0 H LEU A 80 0.613 -2.520 7.425 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.269 0.277 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.519 -2.241 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.555 -1.661 9.333 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.579 -1.126 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.805 1.168 8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.102 0.069 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.057 1.210 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.421 0.790 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.655 0.813 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.438 -0.588 5.833 1.00 0.00 H new ATOM 1297 N ARG A 81 0.802 0.917 9.668 1.00 0.00 N ATOM 1298 CA ARG A 81 1.423 1.352 10.913 1.00 0.00 C ATOM 1299 C ARG A 81 0.394 1.987 11.844 1.00 0.00 C ATOM 1300 O ARG A 81 -0.497 2.711 11.398 1.00 0.00 O ATOM 1301 CB ARG A 81 2.546 2.348 10.626 1.00 0.00 C ATOM 1302 CG ARG A 81 3.809 1.701 10.083 1.00 0.00 C ATOM 1303 CD ARG A 81 4.896 2.731 9.826 1.00 0.00 C ATOM 1304 NE ARG A 81 5.252 3.465 11.037 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.062 2.991 11.982 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.599 1.784 11.859 1.00 0.00 N ATOM 1307 NH2 ARG A 81 6.334 3.726 13.052 1.00 0.00 N ATOM 0 H ARG A 81 0.606 1.671 9.010 1.00 0.00 H new ATOM 0 HA ARG A 81 1.840 0.474 11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.190 3.088 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.788 2.884 11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.172 0.957 10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.580 1.174 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.781 2.233 9.431 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.558 3.432 9.063 1.00 0.00 H new ATOM 0 HE ARG A 81 4.857 4.396 11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.392 1.215 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.219 1.425 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.923 4.654 13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.954 3.363 13.776 1.00 0.00 H new