USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 9 THR OG1 : rot -170:sc= 1.24 USER MOD Set 1.2: A 13 THR OG1 : rot 112:sc= 1.29 USER MOD Single : A 0 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 177:sc= -1.64 (180deg=-1.89) USER MOD Single : A 6 TYR OH : rot -167:sc= 0.00466 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0.97 (180deg=0.835) USER MOD Single : A 10 ASN : amide:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.791 K(o=-0.79,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= -0.0437 K(o=-0.044,f=-0.95) USER MOD Single : A 28 SER OG : rot 180:sc= -0.548 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -92:sc= 1.18 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 39:sc= -0.75 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -131:sc= -1.24 (180deg=-2.25!) USER MOD Single : A 49 CYS SG : rot -10:sc= -0.816 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 0.97 (180deg=0.00448!) USER MOD Single : A 59 THR OG1 : rot -26:sc= 0.123 USER MOD Single : A 61 MET CE :methyl 168:sc= -0.0117 (180deg=-0.31) USER MOD Single : A 69 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.3!) USER MOD Single : A 70 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 72 TYR OH : rot 30:sc= 0.437 USER MOD Single : A 73 MET CE :methyl -171:sc= 0 (180deg=-0.0881) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.39! C(o=-2.4!,f=-4.7!) USER MOD Single : A 82 GLN : amide:sc= 0.426 X(o=0.43,f=-0.012) USER MOD Single : A 90 SER OG : rot 88:sc= 1.23 USER MOD Single : A 91 SER OG : rot 118:sc= -0.44 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.857 8.803 5.503 1.00 0.00 N ATOM 91 CA PHE A 0 -6.471 9.212 5.335 1.00 0.00 C ATOM 92 C PHE A 0 -5.554 8.292 6.126 1.00 0.00 C ATOM 93 O PHE A 0 -5.759 8.072 7.319 1.00 0.00 O ATOM 94 CB PHE A 0 -6.283 10.665 5.785 1.00 0.00 C ATOM 95 CG PHE A 0 -4.879 11.175 5.611 1.00 0.00 C ATOM 96 CD1 PHE A 0 -4.402 11.514 4.355 1.00 0.00 C ATOM 97 CD2 PHE A 0 -4.041 11.322 6.706 1.00 0.00 C ATOM 98 CE1 PHE A 0 -3.113 11.985 4.193 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.751 11.791 6.550 1.00 0.00 C ATOM 100 CZ PHE A 0 -2.288 12.125 5.293 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.475 9.438 4.958 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.975 7.828 5.161 1.00 0.00 H new ATOM 0 H3 PHE A 0 -8.113 8.850 6.510 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.213 9.142 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.964 11.302 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.564 10.750 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -5.045 11.409 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.401 11.067 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.751 12.243 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -2.106 11.896 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 0 -1.281 12.496 5.169 1.00 0.00 H new ATOM 110 N MET A 1 -4.547 7.760 5.457 1.00 0.00 N ATOM 111 CA MET A 1 -3.607 6.847 6.088 1.00 0.00 C ATOM 112 C MET A 1 -2.181 7.211 5.698 1.00 0.00 C ATOM 113 O MET A 1 -1.927 7.567 4.549 1.00 0.00 O ATOM 114 CB MET A 1 -3.919 5.407 5.672 1.00 0.00 C ATOM 115 CG MET A 1 -2.944 4.380 6.221 1.00 0.00 C ATOM 116 SD MET A 1 -2.869 4.376 8.021 1.00 0.00 S ATOM 117 CE MET A 1 -1.570 3.176 8.282 1.00 0.00 C ATOM 0 H MET A 1 -4.357 7.945 4.472 1.00 0.00 H new ATOM 0 HA MET A 1 -3.704 6.930 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.925 5.153 6.006 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.920 5.346 4.584 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.234 3.389 5.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.950 4.580 5.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.360 3.093 9.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.888 2.207 7.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.669 3.496 7.759 1.00 0.00 H new ATOM 127 N GLU A 2 -1.259 7.118 6.649 1.00 0.00 N ATOM 128 CA GLU A 2 0.132 7.481 6.402 1.00 0.00 C ATOM 129 C GLU A 2 1.073 6.481 7.073 1.00 0.00 C ATOM 130 O GLU A 2 0.721 5.870 8.084 1.00 0.00 O ATOM 131 CB GLU A 2 0.409 8.902 6.913 1.00 0.00 C ATOM 132 CG GLU A 2 0.166 9.073 8.405 1.00 0.00 C ATOM 133 CD GLU A 2 0.376 10.498 8.879 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.360 11.135 8.450 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.446 10.986 9.689 1.00 0.00 O ATOM 0 H GLU A 2 -1.449 6.795 7.598 1.00 0.00 H new ATOM 0 HA GLU A 2 0.312 7.455 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.443 9.164 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.222 9.604 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.853 8.764 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.835 8.411 8.955 1.00 0.00 H new ATOM 142 N GLY A 3 2.253 6.302 6.493 1.00 0.00 N ATOM 143 CA GLY A 3 3.242 5.405 7.063 1.00 0.00 C ATOM 144 C GLY A 3 4.143 4.820 5.997 1.00 0.00 C ATOM 145 O GLY A 3 4.194 5.334 4.881 1.00 0.00 O ATOM 0 H GLY A 3 2.545 6.765 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.845 5.944 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.738 4.599 7.597 1.00 0.00 H new ATOM 149 N VAL A 4 4.858 3.749 6.325 1.00 0.00 N ATOM 150 CA VAL A 4 5.742 3.111 5.358 1.00 0.00 C ATOM 151 C VAL A 4 5.351 1.651 5.165 1.00 0.00 C ATOM 152 O VAL A 4 4.662 1.063 6.002 1.00 0.00 O ATOM 153 CB VAL A 4 7.244 3.188 5.765 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.555 4.470 6.518 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.675 1.967 6.567 1.00 0.00 C ATOM 0 H VAL A 4 4.843 3.308 7.245 1.00 0.00 H new ATOM 0 HA VAL A 4 5.624 3.662 4.425 1.00 0.00 H new ATOM 0 HB VAL A 4 7.822 3.197 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.612 4.488 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.326 5.328 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.951 4.515 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.728 2.059 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.077 1.899 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.528 1.068 5.968 1.00 0.00 H new ATOM 165 N LEU A 5 5.791 1.082 4.055 1.00 0.00 N ATOM 166 CA LEU A 5 5.586 -0.332 3.772 1.00 0.00 C ATOM 167 C LEU A 5 6.891 -0.954 3.312 1.00 0.00 C ATOM 168 O LEU A 5 7.778 -0.263 2.801 1.00 0.00 O ATOM 169 CB LEU A 5 4.523 -0.568 2.682 1.00 0.00 C ATOM 170 CG LEU A 5 3.054 -0.466 3.107 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.782 -1.289 4.364 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.650 0.984 3.291 1.00 0.00 C ATOM 0 H LEU A 5 6.299 1.583 3.326 1.00 0.00 H new ATOM 0 HA LEU A 5 5.234 -0.793 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.694 0.151 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.685 -1.560 2.260 1.00 0.00 H new ATOM 0 HG LEU A 5 2.440 -0.885 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.732 -1.196 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.015 -2.336 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.405 -0.923 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.604 1.035 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.272 1.440 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.783 1.521 2.352 1.00 0.00 H new ATOM 184 N TYR A 6 7.001 -2.251 3.521 1.00 0.00 N ATOM 185 CA TYR A 6 8.106 -3.028 3.003 1.00 0.00 C ATOM 186 C TYR A 6 8.052 -3.065 1.482 1.00 0.00 C ATOM 187 O TYR A 6 7.069 -3.509 0.894 1.00 0.00 O ATOM 188 CB TYR A 6 8.044 -4.431 3.619 1.00 0.00 C ATOM 189 CG TYR A 6 8.540 -5.576 2.756 1.00 0.00 C ATOM 190 CD1 TYR A 6 7.687 -6.232 1.875 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.847 -6.025 2.848 1.00 0.00 C ATOM 192 CE1 TYR A 6 8.125 -7.294 1.109 1.00 0.00 C ATOM 193 CE2 TYR A 6 10.295 -7.086 2.081 1.00 0.00 C ATOM 194 CZ TYR A 6 9.430 -7.718 1.215 1.00 0.00 C ATOM 195 OH TYR A 6 9.871 -8.780 0.456 1.00 0.00 O ATOM 0 H TYR A 6 6.324 -2.795 4.056 1.00 0.00 H new ATOM 0 HA TYR A 6 9.058 -2.572 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.625 -4.424 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.010 -4.636 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.662 -5.904 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.528 -5.539 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.447 -7.789 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.320 -7.418 2.161 1.00 0.00 H new ATOM 0 HH TYR A 6 10.739 -9.086 0.794 1.00 0.00 H new ATOM 205 N LYS A 7 9.093 -2.553 0.862 1.00 0.00 N ATOM 206 CA LYS A 7 9.205 -2.554 -0.587 1.00 0.00 C ATOM 207 C LYS A 7 10.364 -3.443 -1.011 1.00 0.00 C ATOM 208 O LYS A 7 11.519 -3.177 -0.669 1.00 0.00 O ATOM 209 CB LYS A 7 9.408 -1.126 -1.113 1.00 0.00 C ATOM 210 CG LYS A 7 9.670 -1.039 -2.614 1.00 0.00 C ATOM 211 CD LYS A 7 8.455 -1.448 -3.444 1.00 0.00 C ATOM 212 CE LYS A 7 8.745 -1.330 -4.936 1.00 0.00 C ATOM 213 NZ LYS A 7 7.541 -1.598 -5.774 1.00 0.00 N ATOM 0 H LYS A 7 9.884 -2.125 1.342 1.00 0.00 H new ATOM 0 HA LYS A 7 8.281 -2.946 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.523 -0.535 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.246 -0.672 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.955 -0.019 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.514 -1.680 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.176 -2.474 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.605 -0.818 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.119 -0.329 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.535 -2.031 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.699 -1.234 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.368 -2.623 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.715 -1.125 -5.356 1.00 0.00 H new ATOM 227 N TRP A 8 10.050 -4.507 -1.734 1.00 0.00 N ATOM 228 CA TRP A 8 11.074 -5.383 -2.273 1.00 0.00 C ATOM 229 C TRP A 8 11.730 -4.717 -3.473 1.00 0.00 C ATOM 230 O TRP A 8 11.046 -4.302 -4.413 1.00 0.00 O ATOM 231 CB TRP A 8 10.480 -6.737 -2.677 1.00 0.00 C ATOM 232 CG TRP A 8 11.501 -7.687 -3.232 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.766 -7.932 -4.550 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.399 -8.510 -2.484 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.777 -8.855 -4.663 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.180 -9.226 -3.409 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.618 -8.712 -1.120 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.163 -10.127 -3.012 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.595 -9.606 -0.728 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.357 -10.303 -1.670 1.00 0.00 C ATOM 0 H TRP A 8 9.094 -4.783 -1.960 1.00 0.00 H new ATOM 0 HA TRP A 8 11.823 -5.562 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.004 -7.192 -1.808 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.699 -6.577 -3.421 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.255 -7.468 -5.381 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.164 -9.207 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.034 -8.179 -0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.752 -10.668 -3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.773 -9.769 0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.114 -10.994 -1.331 1.00 0.00 H new ATOM 251 N THR A 9 13.045 -4.594 -3.418 1.00 0.00 N ATOM 252 CA THR A 9 13.804 -3.986 -4.496 1.00 0.00 C ATOM 253 C THR A 9 14.633 -5.041 -5.228 1.00 0.00 C ATOM 254 O THR A 9 14.305 -5.436 -6.346 1.00 0.00 O ATOM 255 CB THR A 9 14.714 -2.866 -3.957 1.00 0.00 C ATOM 256 OG1 THR A 9 15.381 -3.307 -2.765 1.00 0.00 O ATOM 257 CG2 THR A 9 13.901 -1.617 -3.652 1.00 0.00 C ATOM 0 H THR A 9 13.612 -4.910 -2.632 1.00 0.00 H new ATOM 0 HA THR A 9 13.101 -3.546 -5.203 1.00 0.00 H new ATOM 0 HB THR A 9 15.454 -2.627 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.831 -2.546 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.561 -0.837 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.414 -1.269 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.145 -1.849 -2.902 1.00 0.00 H new ATOM 265 N ASN A 10 15.692 -5.507 -4.583 1.00 0.00 N ATOM 266 CA ASN A 10 16.526 -6.570 -5.129 1.00 0.00 C ATOM 267 C ASN A 10 16.975 -7.486 -4.007 1.00 0.00 C ATOM 268 O ASN A 10 16.955 -7.099 -2.841 1.00 0.00 O ATOM 269 CB ASN A 10 17.761 -6.003 -5.841 1.00 0.00 C ATOM 270 CG ASN A 10 17.429 -5.243 -7.111 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.265 -4.022 -7.096 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.316 -5.961 -8.216 1.00 0.00 N ATOM 0 H ASN A 10 15.997 -5.163 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 10 15.934 -7.124 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.292 -5.340 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.439 -6.821 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.085 -5.505 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.460 -6.970 -8.185 1.00 0.00 H new ATOM 279 N TYR A 11 17.392 -8.696 -4.357 1.00 0.00 N ATOM 280 CA TYR A 11 17.854 -9.661 -3.362 1.00 0.00 C ATOM 281 C TYR A 11 19.185 -9.223 -2.757 1.00 0.00 C ATOM 282 O TYR A 11 19.568 -9.681 -1.683 1.00 0.00 O ATOM 283 CB TYR A 11 17.983 -11.059 -3.979 1.00 0.00 C ATOM 284 CG TYR A 11 18.994 -11.160 -5.099 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.689 -10.718 -6.379 1.00 0.00 C ATOM 286 CD2 TYR A 11 20.251 -11.706 -4.877 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.606 -10.815 -7.402 1.00 0.00 C ATOM 288 CE2 TYR A 11 21.174 -11.805 -5.897 1.00 0.00 C ATOM 289 CZ TYR A 11 20.847 -11.359 -7.157 1.00 0.00 C ATOM 290 OH TYR A 11 21.763 -11.456 -8.178 1.00 0.00 O ATOM 0 H TYR A 11 17.421 -9.034 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 11 17.112 -9.703 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.257 -11.764 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.008 -11.366 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.717 -10.291 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 11 20.510 -12.059 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.353 -10.466 -8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.148 -12.230 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 11 22.589 -11.861 -7.839 1.00 0.00 H new ATOM 300 N LEU A 12 19.888 -8.343 -3.463 1.00 0.00 N ATOM 301 CA LEU A 12 21.141 -7.786 -2.970 1.00 0.00 C ATOM 302 C LEU A 12 20.877 -6.781 -1.855 1.00 0.00 C ATOM 303 O LEU A 12 21.579 -6.758 -0.845 1.00 0.00 O ATOM 304 CB LEU A 12 21.905 -7.106 -4.110 1.00 0.00 C ATOM 305 CG LEU A 12 22.343 -8.030 -5.249 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.961 -7.222 -6.379 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.326 -9.076 -4.741 1.00 0.00 C ATOM 0 H LEU A 12 19.609 -8.000 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 12 21.745 -8.602 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.278 -6.317 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.790 -6.624 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 12 21.463 -8.545 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.267 -7.893 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.228 -6.511 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.831 -6.681 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.626 -9.724 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.205 -8.580 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.851 -9.674 -3.963 1.00 0.00 H new ATOM 319 N THR A 13 19.849 -5.965 -2.043 1.00 0.00 N ATOM 320 CA THR A 13 19.514 -4.918 -1.093 1.00 0.00 C ATOM 321 C THR A 13 18.596 -5.432 0.007 1.00 0.00 C ATOM 322 O THR A 13 18.666 -4.988 1.154 1.00 0.00 O ATOM 323 CB THR A 13 18.846 -3.739 -1.820 1.00 0.00 C ATOM 324 OG1 THR A 13 17.902 -4.238 -2.777 1.00 0.00 O ATOM 325 CG2 THR A 13 19.883 -2.888 -2.526 1.00 0.00 C ATOM 0 H THR A 13 19.229 -6.011 -2.852 1.00 0.00 H new ATOM 0 HA THR A 13 20.441 -4.583 -0.629 1.00 0.00 H new ATOM 0 HB THR A 13 18.333 -3.122 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.993 -4.008 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.389 -2.060 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.590 -2.496 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.416 -3.496 -3.257 1.00 0.00 H new ATOM 333 N GLY A 14 17.737 -6.369 -0.347 1.00 0.00 N ATOM 334 CA GLY A 14 16.813 -6.919 0.612 1.00 0.00 C ATOM 335 C GLY A 14 15.479 -6.212 0.557 1.00 0.00 C ATOM 336 O GLY A 14 14.701 -6.416 -0.374 1.00 0.00 O ATOM 0 H GLY A 14 17.664 -6.760 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.672 -7.982 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.232 -6.833 1.615 1.00 0.00 H new ATOM 340 N TRP A 15 15.222 -5.355 1.529 1.00 0.00 N ATOM 341 CA TRP A 15 13.970 -4.631 1.573 1.00 0.00 C ATOM 342 C TRP A 15 14.226 -3.175 1.930 1.00 0.00 C ATOM 343 O TRP A 15 15.200 -2.862 2.618 1.00 0.00 O ATOM 344 CB TRP A 15 13.012 -5.280 2.581 1.00 0.00 C ATOM 345 CG TRP A 15 13.197 -4.834 4.002 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.155 -5.242 4.886 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.381 -3.890 4.701 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.987 -4.597 6.090 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.902 -3.761 6.000 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.259 -3.139 4.347 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.337 -2.903 6.945 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.700 -2.293 5.280 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.237 -2.180 6.565 1.00 0.00 C ATOM 0 H TRP A 15 15.863 -5.146 2.295 1.00 0.00 H new ATOM 0 HA TRP A 15 13.502 -4.670 0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.987 -5.065 2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.137 -6.362 2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.929 -5.964 4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.574 -4.720 6.915 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.835 -3.220 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.751 -2.812 7.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.832 -1.708 5.014 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.775 -1.509 7.274 1.00 0.00 H new ATOM 364 N GLN A 16 13.377 -2.284 1.443 1.00 0.00 N ATOM 365 CA GLN A 16 13.496 -0.874 1.766 1.00 0.00 C ATOM 366 C GLN A 16 12.149 -0.324 2.215 1.00 0.00 C ATOM 367 O GLN A 16 11.154 -0.448 1.501 1.00 0.00 O ATOM 368 CB GLN A 16 14.009 -0.087 0.555 1.00 0.00 C ATOM 369 CG GLN A 16 15.354 -0.572 0.039 1.00 0.00 C ATOM 370 CD GLN A 16 15.875 0.276 -1.103 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.103 0.861 -1.859 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.189 0.346 -1.239 1.00 0.00 N ATOM 0 H GLN A 16 12.600 -2.513 0.824 1.00 0.00 H new ATOM 0 HA GLN A 16 14.213 -0.764 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.275 -0.154 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.091 0.966 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.078 -0.563 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.261 -1.606 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.796 -0.155 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.595 0.901 -1.993 1.00 0.00 H new ATOM 381 N PRO A 17 12.084 0.243 3.430 1.00 0.00 N ATOM 382 CA PRO A 17 10.883 0.925 3.919 1.00 0.00 C ATOM 383 C PRO A 17 10.587 2.186 3.119 1.00 0.00 C ATOM 384 O PRO A 17 11.298 3.187 3.226 1.00 0.00 O ATOM 385 CB PRO A 17 11.232 1.282 5.366 1.00 0.00 C ATOM 386 CG PRO A 17 12.720 1.298 5.403 1.00 0.00 C ATOM 387 CD PRO A 17 13.153 0.228 4.443 1.00 0.00 C ATOM 0 HA PRO A 17 9.992 0.303 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.819 2.251 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.826 0.549 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.110 2.272 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.090 1.097 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.127 0.448 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.234 -0.744 4.931 1.00 0.00 H new ATOM 395 N ARG A 18 9.544 2.133 2.313 1.00 0.00 N ATOM 396 CA ARG A 18 9.168 3.270 1.490 1.00 0.00 C ATOM 397 C ARG A 18 7.913 3.905 2.066 1.00 0.00 C ATOM 398 O ARG A 18 7.129 3.229 2.725 1.00 0.00 O ATOM 399 CB ARG A 18 8.941 2.826 0.040 1.00 0.00 C ATOM 400 CG ARG A 18 8.949 3.971 -0.970 1.00 0.00 C ATOM 401 CD ARG A 18 10.353 4.529 -1.199 1.00 0.00 C ATOM 402 NE ARG A 18 10.887 5.231 -0.031 1.00 0.00 N ATOM 403 CZ ARG A 18 12.120 5.046 0.445 1.00 0.00 C ATOM 404 NH1 ARG A 18 12.939 4.176 -0.141 1.00 0.00 N ATOM 405 NH2 ARG A 18 12.536 5.741 1.496 1.00 0.00 N ATOM 0 H ARG A 18 8.942 1.316 2.209 1.00 0.00 H new ATOM 0 HA ARG A 18 9.972 4.006 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.714 2.108 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.985 2.306 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.540 3.620 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.296 4.769 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.024 3.712 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.333 5.212 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 18 10.282 5.900 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.625 3.649 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.881 4.036 0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.913 6.416 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.478 5.600 1.860 1.00 0.00 H new ATOM 419 N TRP A 19 7.718 5.192 1.814 1.00 0.00 N ATOM 420 CA TRP A 19 6.628 5.930 2.437 1.00 0.00 C ATOM 421 C TRP A 19 5.407 5.940 1.531 1.00 0.00 C ATOM 422 O TRP A 19 5.506 6.215 0.336 1.00 0.00 O ATOM 423 CB TRP A 19 7.073 7.366 2.743 1.00 0.00 C ATOM 424 CG TRP A 19 6.078 8.157 3.539 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.052 8.914 3.052 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.024 8.282 4.965 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.359 9.491 4.088 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.934 9.117 5.270 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.789 7.765 6.014 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.591 9.447 6.577 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.447 8.092 7.311 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.354 8.924 7.583 1.00 0.00 C ATOM 0 H TRP A 19 8.299 5.746 1.184 1.00 0.00 H new ATOM 0 HA TRP A 19 6.361 5.436 3.371 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.016 7.335 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.265 7.884 1.803 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.819 9.041 2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.547 10.100 3.991 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.633 7.121 5.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.752 10.093 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.032 7.700 8.129 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.109 9.157 8.609 1.00 0.00 H new ATOM 443 N PHE A 20 4.260 5.626 2.110 1.00 0.00 N ATOM 444 CA PHE A 20 3.009 5.560 1.368 1.00 0.00 C ATOM 445 C PHE A 20 1.927 6.346 2.100 1.00 0.00 C ATOM 446 O PHE A 20 1.888 6.360 3.331 1.00 0.00 O ATOM 447 CB PHE A 20 2.552 4.103 1.197 1.00 0.00 C ATOM 448 CG PHE A 20 3.473 3.245 0.368 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.610 2.682 0.922 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.189 2.991 -0.964 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.447 1.886 0.163 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.024 2.197 -1.728 1.00 0.00 C ATOM 453 CZ PHE A 20 5.155 1.644 -1.163 1.00 0.00 C ATOM 0 H PHE A 20 4.168 5.410 3.103 1.00 0.00 H new ATOM 0 HA PHE A 20 3.175 5.995 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.448 3.651 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.563 4.099 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.846 2.867 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.304 3.419 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.330 1.453 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.791 2.010 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.809 1.024 -1.757 1.00 0.00 H new ATOM 463 N VAL A 21 1.066 7.012 1.345 1.00 0.00 N ATOM 464 CA VAL A 21 -0.075 7.715 1.921 1.00 0.00 C ATOM 465 C VAL A 21 -1.350 7.381 1.154 1.00 0.00 C ATOM 466 O VAL A 21 -1.356 7.330 -0.078 1.00 0.00 O ATOM 467 CB VAL A 21 0.119 9.257 1.968 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.265 9.632 2.893 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.345 9.836 0.579 1.00 0.00 C ATOM 0 H VAL A 21 1.135 7.082 0.330 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.159 7.370 2.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.801 9.688 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.380 10.716 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.051 9.275 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.187 9.174 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.476 10.916 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.238 9.391 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.517 9.617 -0.051 1.00 0.00 H new ATOM 479 N LEU A 22 -2.421 7.124 1.884 1.00 0.00 N ATOM 480 CA LEU A 22 -3.706 6.838 1.269 1.00 0.00 C ATOM 481 C LEU A 22 -4.562 8.086 1.367 1.00 0.00 C ATOM 482 O LEU A 22 -4.827 8.582 2.466 1.00 0.00 O ATOM 483 CB LEU A 22 -4.383 5.648 1.979 1.00 0.00 C ATOM 484 CG LEU A 22 -5.603 5.014 1.274 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.830 5.910 1.356 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.285 4.693 -0.181 1.00 0.00 C ATOM 0 H LEU A 22 -2.427 7.107 2.904 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.575 6.564 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.634 4.870 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.697 5.978 2.969 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.829 4.085 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.666 5.429 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.088 6.079 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.616 6.865 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.160 4.248 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.015 5.610 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.452 3.991 -0.225 1.00 0.00 H new ATOM 498 N ASP A 23 -4.971 8.596 0.220 1.00 0.00 N ATOM 499 CA ASP A 23 -5.751 9.820 0.167 1.00 0.00 C ATOM 500 C ASP A 23 -6.949 9.654 -0.756 1.00 0.00 C ATOM 501 O ASP A 23 -6.797 9.578 -1.976 1.00 0.00 O ATOM 502 CB ASP A 23 -4.876 10.983 -0.316 1.00 0.00 C ATOM 503 CG ASP A 23 -5.591 12.323 -0.256 1.00 0.00 C ATOM 504 OD1 ASP A 23 -6.245 12.702 -1.250 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.479 13.022 0.776 1.00 0.00 O ATOM 0 H ASP A 23 -4.775 8.180 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.114 10.039 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.974 11.030 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.558 10.791 -1.341 1.00 0.00 H new ATOM 510 N ASN A 24 -8.127 9.559 -0.146 1.00 0.00 N ATOM 511 CA ASN A 24 -9.409 9.542 -0.857 1.00 0.00 C ATOM 512 C ASN A 24 -9.399 8.571 -2.044 1.00 0.00 C ATOM 513 O ASN A 24 -9.562 8.971 -3.198 1.00 0.00 O ATOM 514 CB ASN A 24 -9.778 10.961 -1.315 1.00 0.00 C ATOM 515 CG ASN A 24 -11.210 11.070 -1.819 1.00 0.00 C ATOM 516 OD1 ASN A 24 -12.091 10.305 -1.416 1.00 0.00 O ATOM 517 ND2 ASN A 24 -11.460 12.039 -2.687 1.00 0.00 N ATOM 0 H ASN A 24 -8.223 9.491 0.867 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.168 9.184 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.637 11.653 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.096 11.270 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.406 12.172 -3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.707 12.652 -2.998 1.00 0.00 H new ATOM 524 N GLY A 25 -9.209 7.293 -1.749 1.00 0.00 N ATOM 525 CA GLY A 25 -9.253 6.270 -2.779 1.00 0.00 C ATOM 526 C GLY A 25 -7.964 6.121 -3.572 1.00 0.00 C ATOM 527 O GLY A 25 -7.843 5.204 -4.380 1.00 0.00 O ATOM 0 H GLY A 25 -9.024 6.943 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.492 5.314 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.065 6.501 -3.469 1.00 0.00 H new ATOM 531 N ILE A 26 -7.003 7.012 -3.374 1.00 0.00 N ATOM 532 CA ILE A 26 -5.744 6.930 -4.110 1.00 0.00 C ATOM 533 C ILE A 26 -4.568 6.700 -3.162 1.00 0.00 C ATOM 534 O ILE A 26 -4.434 7.382 -2.153 1.00 0.00 O ATOM 535 CB ILE A 26 -5.494 8.203 -4.958 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.653 8.434 -5.941 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.172 8.098 -5.710 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.975 7.229 -6.806 1.00 0.00 C ATOM 0 H ILE A 26 -7.066 7.792 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.825 6.079 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.438 9.057 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.544 8.713 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.406 9.277 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.016 9.002 -6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.356 7.984 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.198 7.233 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.803 7.470 -7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.099 6.961 -7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.254 6.389 -6.170 1.00 0.00 H new ATOM 550 N LEU A 27 -3.717 5.739 -3.497 1.00 0.00 N ATOM 551 CA LEU A 27 -2.574 5.391 -2.661 1.00 0.00 C ATOM 552 C LEU A 27 -1.295 5.883 -3.330 1.00 0.00 C ATOM 553 O LEU A 27 -0.895 5.363 -4.359 1.00 0.00 O ATOM 554 CB LEU A 27 -2.546 3.858 -2.449 1.00 0.00 C ATOM 555 CG LEU A 27 -1.567 3.306 -1.395 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.131 3.325 -1.896 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.691 4.079 -0.093 1.00 0.00 C ATOM 0 H LEU A 27 -3.797 5.183 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.655 5.870 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.551 3.537 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.311 3.390 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.836 2.266 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.529 2.928 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.050 2.711 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.159 4.349 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.992 3.674 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.462 5.130 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.708 3.988 0.289 1.00 0.00 H new ATOM 569 N SER A 28 -0.652 6.881 -2.756 1.00 0.00 N ATOM 570 CA SER A 28 0.541 7.445 -3.365 1.00 0.00 C ATOM 571 C SER A 28 1.795 7.050 -2.589 1.00 0.00 C ATOM 572 O SER A 28 1.753 6.854 -1.374 1.00 0.00 O ATOM 573 CB SER A 28 0.408 8.966 -3.471 1.00 0.00 C ATOM 574 OG SER A 28 -0.305 9.489 -2.368 1.00 0.00 O ATOM 0 H SER A 28 -0.931 7.316 -1.877 1.00 0.00 H new ATOM 0 HA SER A 28 0.642 7.038 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.398 9.419 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.105 9.226 -4.397 1.00 0.00 H new ATOM 0 HG SER A 28 -0.376 10.462 -2.456 1.00 0.00 H new ATOM 580 N TYR A 29 2.905 6.917 -3.305 1.00 0.00 N ATOM 581 CA TYR A 29 4.154 6.464 -2.710 1.00 0.00 C ATOM 582 C TYR A 29 5.255 7.498 -2.900 1.00 0.00 C ATOM 583 O TYR A 29 5.378 8.098 -3.971 1.00 0.00 O ATOM 584 CB TYR A 29 4.574 5.120 -3.316 1.00 0.00 C ATOM 585 CG TYR A 29 4.902 5.160 -4.800 1.00 0.00 C ATOM 586 CD1 TYR A 29 3.927 5.438 -5.757 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.194 4.906 -5.240 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.237 5.462 -7.107 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.509 4.929 -6.585 1.00 0.00 C ATOM 590 CZ TYR A 29 5.528 5.207 -7.513 1.00 0.00 C ATOM 591 OH TYR A 29 5.842 5.223 -8.854 1.00 0.00 O ATOM 0 H TYR A 29 2.964 7.118 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 29 3.994 6.333 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.446 4.752 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.772 4.399 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.914 5.638 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.967 4.687 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.471 5.679 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.520 4.730 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 29 6.795 5.024 -8.969 1.00 0.00 H new ATOM 601 N TYR A 30 6.048 7.697 -1.855 1.00 0.00 N ATOM 602 CA TYR A 30 7.118 8.686 -1.869 1.00 0.00 C ATOM 603 C TYR A 30 8.335 8.175 -1.111 1.00 0.00 C ATOM 604 O TYR A 30 8.307 7.077 -0.546 1.00 0.00 O ATOM 605 CB TYR A 30 6.646 10.009 -1.258 1.00 0.00 C ATOM 606 CG TYR A 30 5.510 10.646 -2.019 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.746 11.336 -3.199 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.203 10.547 -1.565 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.713 11.913 -3.908 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.160 11.119 -2.268 1.00 0.00 C ATOM 611 CZ TYR A 30 3.421 11.800 -3.441 1.00 0.00 C ATOM 612 OH TYR A 30 2.387 12.375 -4.145 1.00 0.00 O ATOM 0 H TYR A 30 5.969 7.181 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 30 7.397 8.859 -2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.332 9.834 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.485 10.704 -1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.757 11.423 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.997 10.015 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.915 12.450 -4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.147 11.034 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 30 1.541 12.203 -3.682 1.00 0.00 H new ATOM 622 N ASP A 31 9.399 8.963 -1.095 1.00 0.00 N ATOM 623 CA ASP A 31 10.619 8.573 -0.397 1.00 0.00 C ATOM 624 C ASP A 31 10.475 8.756 1.111 1.00 0.00 C ATOM 625 O ASP A 31 10.901 7.902 1.894 1.00 0.00 O ATOM 626 CB ASP A 31 11.807 9.398 -0.909 1.00 0.00 C ATOM 627 CG ASP A 31 12.994 9.375 0.040 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.769 8.397 0.016 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.160 10.346 0.812 1.00 0.00 O ATOM 0 H ASP A 31 9.445 9.873 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 31 10.798 7.517 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.117 9.015 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.489 10.429 -1.060 1.00 0.00 H new ATOM 634 N SER A 32 9.820 9.831 1.507 1.00 0.00 N ATOM 635 CA SER A 32 9.717 10.184 2.911 1.00 0.00 C ATOM 636 C SER A 32 8.509 11.081 3.163 1.00 0.00 C ATOM 637 O SER A 32 7.731 11.350 2.245 1.00 0.00 O ATOM 638 CB SER A 32 11.010 10.869 3.361 1.00 0.00 C ATOM 639 OG SER A 32 11.440 11.818 2.400 1.00 0.00 O ATOM 0 H SER A 32 9.349 10.477 0.874 1.00 0.00 H new ATOM 0 HA SER A 32 9.575 9.274 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.850 11.363 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.788 10.121 3.513 1.00 0.00 H new ATOM 0 HG SER A 32 12.066 11.393 1.777 1.00 0.00 H new ATOM 645 N GLN A 33 8.354 11.535 4.402 1.00 0.00 N ATOM 646 CA GLN A 33 7.200 12.336 4.790 1.00 0.00 C ATOM 647 C GLN A 33 7.159 13.666 4.036 1.00 0.00 C ATOM 648 O GLN A 33 6.140 14.016 3.446 1.00 0.00 O ATOM 649 CB GLN A 33 7.213 12.589 6.299 1.00 0.00 C ATOM 650 CG GLN A 33 5.963 13.281 6.816 1.00 0.00 C ATOM 651 CD GLN A 33 6.038 13.576 8.300 1.00 0.00 C ATOM 652 OE1 GLN A 33 5.665 12.749 9.131 1.00 0.00 O ATOM 653 NE2 GLN A 33 6.519 14.761 8.645 1.00 0.00 N ATOM 0 H GLN A 33 9.017 11.361 5.158 1.00 0.00 H new ATOM 0 HA GLN A 33 6.304 11.774 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.330 11.637 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.083 13.197 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.815 14.213 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.095 12.653 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.818 15.419 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.590 15.015 9.630 1.00 0.00 H new ATOM 662 N ASP A 34 8.262 14.406 4.051 1.00 0.00 N ATOM 663 CA ASP A 34 8.315 15.699 3.368 1.00 0.00 C ATOM 664 C ASP A 34 8.238 15.515 1.859 1.00 0.00 C ATOM 665 O ASP A 34 7.724 16.370 1.136 1.00 0.00 O ATOM 666 CB ASP A 34 9.589 16.462 3.738 1.00 0.00 C ATOM 667 CG ASP A 34 9.643 17.837 3.096 1.00 0.00 C ATOM 668 OD1 ASP A 34 8.976 18.756 3.608 1.00 0.00 O ATOM 669 OD2 ASP A 34 10.338 18.004 2.072 1.00 0.00 O ATOM 0 H ASP A 34 9.126 14.139 4.523 1.00 0.00 H new ATOM 0 HA ASP A 34 7.454 16.283 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.646 16.567 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.459 15.884 3.428 1.00 0.00 H new ATOM 674 N ASP A 35 8.706 14.365 1.400 1.00 0.00 N ATOM 675 CA ASP A 35 8.764 14.066 -0.025 1.00 0.00 C ATOM 676 C ASP A 35 7.366 13.820 -0.594 1.00 0.00 C ATOM 677 O ASP A 35 7.191 13.705 -1.798 1.00 0.00 O ATOM 678 CB ASP A 35 9.663 12.849 -0.264 1.00 0.00 C ATOM 679 CG ASP A 35 9.873 12.542 -1.736 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.467 13.385 -2.442 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.452 11.455 -2.186 1.00 0.00 O ATOM 0 H ASP A 35 9.054 13.616 1.999 1.00 0.00 H new ATOM 0 HA ASP A 35 9.186 14.928 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.631 13.022 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.223 11.979 0.223 1.00 0.00 H new ATOM 686 N VAL A 36 6.365 13.783 0.275 1.00 0.00 N ATOM 687 CA VAL A 36 4.986 13.561 -0.158 1.00 0.00 C ATOM 688 C VAL A 36 4.521 14.673 -1.096 1.00 0.00 C ATOM 689 O VAL A 36 3.824 14.426 -2.077 1.00 0.00 O ATOM 690 CB VAL A 36 4.020 13.452 1.043 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.568 13.462 0.585 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.312 12.192 1.840 1.00 0.00 C ATOM 0 H VAL A 36 6.478 13.903 1.282 1.00 0.00 H new ATOM 0 HA VAL A 36 4.970 12.613 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 36 4.177 14.321 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.912 13.384 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.360 14.392 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.391 12.617 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.624 12.127 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.184 11.319 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.337 12.224 2.209 1.00 0.00 H new ATOM 782 N SER A 43 1.513 8.246 -8.230 1.00 0.00 N ATOM 783 CA SER A 43 0.620 7.579 -7.286 1.00 0.00 C ATOM 784 C SER A 43 0.166 6.209 -7.792 1.00 0.00 C ATOM 785 O SER A 43 0.439 5.819 -8.927 1.00 0.00 O ATOM 786 CB SER A 43 -0.596 8.466 -7.001 1.00 0.00 C ATOM 787 OG SER A 43 -0.193 9.757 -6.578 1.00 0.00 O ATOM 0 HA SER A 43 1.178 7.416 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.209 8.548 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.216 8.004 -6.232 1.00 0.00 H new ATOM 0 HG SER A 43 0.593 10.039 -7.091 1.00 0.00 H new ATOM 793 N ILE A 44 -0.488 5.470 -6.915 1.00 0.00 N ATOM 794 CA ILE A 44 -1.113 4.213 -7.266 1.00 0.00 C ATOM 795 C ILE A 44 -2.620 4.361 -7.152 1.00 0.00 C ATOM 796 O ILE A 44 -3.151 4.682 -6.086 1.00 0.00 O ATOM 797 CB ILE A 44 -0.644 3.063 -6.351 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.864 2.843 -6.493 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.407 1.787 -6.671 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.417 1.828 -5.519 1.00 0.00 C ATOM 0 H ILE A 44 -0.600 5.728 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.825 3.965 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.851 3.337 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.082 2.516 -7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.378 3.793 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.065 0.985 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.473 1.952 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.231 1.508 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.490 1.721 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.230 2.163 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.930 0.866 -5.680 1.00 0.00 H new ATOM 812 N LYS A 45 -3.306 4.146 -8.252 1.00 0.00 N ATOM 813 CA LYS A 45 -4.744 4.305 -8.287 1.00 0.00 C ATOM 814 C LYS A 45 -5.430 3.052 -7.766 1.00 0.00 C ATOM 815 O LYS A 45 -5.474 2.044 -8.454 1.00 0.00 O ATOM 816 CB LYS A 45 -5.207 4.611 -9.711 1.00 0.00 C ATOM 817 CG LYS A 45 -6.709 4.640 -9.846 1.00 0.00 C ATOM 818 CD LYS A 45 -7.139 4.928 -11.262 1.00 0.00 C ATOM 819 CE LYS A 45 -8.626 5.207 -11.324 1.00 0.00 C ATOM 820 NZ LYS A 45 -9.079 5.528 -12.701 1.00 0.00 N ATOM 0 H LYS A 45 -2.890 3.859 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.017 5.141 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.801 5.574 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.801 3.860 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.121 3.682 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.119 5.399 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.587 5.785 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.896 4.079 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.173 4.338 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.866 6.038 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.103 5.712 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.577 6.372 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.875 4.725 -13.330 1.00 0.00 H new ATOM 834 N MET A 46 -5.982 3.131 -6.559 1.00 0.00 N ATOM 835 CA MET A 46 -6.610 1.971 -5.923 1.00 0.00 C ATOM 836 C MET A 46 -7.808 1.466 -6.720 1.00 0.00 C ATOM 837 O MET A 46 -8.153 0.300 -6.659 1.00 0.00 O ATOM 838 CB MET A 46 -7.056 2.300 -4.502 1.00 0.00 C ATOM 839 CG MET A 46 -5.909 2.565 -3.544 1.00 0.00 C ATOM 840 SD MET A 46 -4.720 1.218 -3.498 1.00 0.00 S ATOM 841 CE MET A 46 -5.753 -0.093 -2.858 1.00 0.00 C ATOM 0 H MET A 46 -6.009 3.984 -6.000 1.00 0.00 H new ATOM 0 HA MET A 46 -5.856 1.185 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.704 3.176 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.653 1.473 -4.118 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.401 3.483 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.307 2.727 -2.542 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.244 -0.586 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.696 0.326 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.950 -0.819 -3.647 1.00 0.00 H new ATOM 851 N ALA A 47 -8.442 2.353 -7.469 1.00 0.00 N ATOM 852 CA ALA A 47 -9.615 1.980 -8.253 1.00 0.00 C ATOM 853 C ALA A 47 -9.234 1.205 -9.513 1.00 0.00 C ATOM 854 O ALA A 47 -10.100 0.707 -10.229 1.00 0.00 O ATOM 855 CB ALA A 47 -10.435 3.209 -8.604 1.00 0.00 C ATOM 0 H ALA A 47 -8.169 3.332 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.224 1.318 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.305 2.911 -9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.764 3.701 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.825 3.899 -9.187 1.00 0.00 H new ATOM 861 N VAL A 48 -7.942 1.144 -9.803 1.00 0.00 N ATOM 862 CA VAL A 48 -7.450 0.338 -10.914 1.00 0.00 C ATOM 863 C VAL A 48 -6.386 -0.636 -10.410 1.00 0.00 C ATOM 864 O VAL A 48 -5.784 -1.391 -11.176 1.00 0.00 O ATOM 865 CB VAL A 48 -6.860 1.225 -12.032 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.509 1.783 -11.632 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.759 0.466 -13.340 1.00 0.00 C ATOM 0 H VAL A 48 -7.216 1.641 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.290 -0.217 -11.331 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.542 2.062 -12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.118 2.403 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.617 2.386 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.819 0.962 -11.439 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.340 1.117 -14.107 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.113 -0.402 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.751 0.136 -13.647 1.00 0.00 H new ATOM 877 N CYS A 49 -6.157 -0.594 -9.112 1.00 0.00 N ATOM 878 CA CYS A 49 -5.148 -1.412 -8.483 1.00 0.00 C ATOM 879 C CYS A 49 -5.728 -2.090 -7.262 1.00 0.00 C ATOM 880 O CYS A 49 -6.131 -1.432 -6.304 1.00 0.00 O ATOM 881 CB CYS A 49 -3.949 -0.557 -8.081 1.00 0.00 C ATOM 882 SG CYS A 49 -2.687 -1.447 -7.144 1.00 0.00 S ATOM 0 H CYS A 49 -6.667 0.009 -8.467 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.816 -2.170 -9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.494 -0.144 -8.981 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.301 0.286 -7.486 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.143 -2.616 -6.803 1.00 0.00 H new ATOM 888 N GLU A 50 -5.737 -3.401 -7.279 1.00 0.00 N ATOM 889 CA GLU A 50 -6.358 -4.149 -6.216 1.00 0.00 C ATOM 890 C GLU A 50 -5.385 -4.359 -5.068 1.00 0.00 C ATOM 891 O GLU A 50 -4.206 -4.659 -5.270 1.00 0.00 O ATOM 892 CB GLU A 50 -6.855 -5.506 -6.724 1.00 0.00 C ATOM 893 CG GLU A 50 -8.043 -5.430 -7.675 1.00 0.00 C ATOM 894 CD GLU A 50 -7.705 -4.818 -9.022 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.619 -5.128 -9.557 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.526 -4.027 -9.539 1.00 0.00 O ATOM 0 H GLU A 50 -5.322 -3.970 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.211 -3.573 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.033 -6.013 -7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.131 -6.121 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.438 -6.434 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.835 -4.845 -7.208 1.00 0.00 H new ATOM 903 N ILE A 51 -5.896 -4.183 -3.865 1.00 0.00 N ATOM 904 CA ILE A 51 -5.156 -4.482 -2.659 1.00 0.00 C ATOM 905 C ILE A 51 -5.585 -5.855 -2.183 1.00 0.00 C ATOM 906 O ILE A 51 -6.761 -6.092 -1.896 1.00 0.00 O ATOM 907 CB ILE A 51 -5.401 -3.417 -1.553 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.966 -3.911 -0.165 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.862 -2.997 -1.525 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.470 -4.006 0.021 1.00 0.00 C ATOM 0 H ILE A 51 -6.838 -3.828 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.088 -4.466 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.785 -2.553 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.372 -3.239 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.405 -4.893 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.011 -2.251 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.137 -2.572 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.487 -3.867 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.250 -4.362 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.056 -4.702 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.022 -3.022 -0.121 1.00 0.00 H new ATOM 922 N LYS A 52 -4.642 -6.769 -2.133 1.00 0.00 N ATOM 923 CA LYS A 52 -4.962 -8.145 -1.830 1.00 0.00 C ATOM 924 C LYS A 52 -5.037 -8.326 -0.323 1.00 0.00 C ATOM 925 O LYS A 52 -4.027 -8.286 0.380 1.00 0.00 O ATOM 926 CB LYS A 52 -3.910 -9.085 -2.438 1.00 0.00 C ATOM 927 CG LYS A 52 -3.664 -8.884 -3.936 1.00 0.00 C ATOM 928 CD LYS A 52 -4.909 -9.136 -4.770 1.00 0.00 C ATOM 929 CE LYS A 52 -4.571 -9.754 -6.121 1.00 0.00 C ATOM 930 NZ LYS A 52 -3.713 -10.961 -5.999 1.00 0.00 N ATOM 0 H LYS A 52 -3.652 -6.586 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.929 -8.395 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.968 -8.947 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.222 -10.116 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.314 -7.866 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.870 -9.555 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.583 -9.798 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.440 -8.196 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.494 -10.020 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.063 -9.013 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.983 -11.654 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.717 -10.693 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.838 -11.382 -5.056 1.00 0.00 H new ATOM 944 N VAL A 53 -6.254 -8.506 0.159 1.00 0.00 N ATOM 945 CA VAL A 53 -6.507 -8.694 1.573 1.00 0.00 C ATOM 946 C VAL A 53 -7.240 -10.010 1.781 1.00 0.00 C ATOM 947 O VAL A 53 -8.405 -10.154 1.405 1.00 0.00 O ATOM 948 CB VAL A 53 -7.315 -7.511 2.174 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.714 -7.801 3.614 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.494 -6.228 2.100 1.00 0.00 C ATOM 0 H VAL A 53 -7.093 -8.526 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.551 -8.724 2.096 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.226 -7.384 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.278 -6.958 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.331 -8.699 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.818 -7.954 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.068 -5.404 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.570 -6.354 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.256 -6.008 1.059 1.00 0.00 H new ATOM 1025 N THR A 59 0.725 -9.078 8.409 1.00 0.00 N ATOM 1026 CA THR A 59 1.356 -8.092 7.512 1.00 0.00 C ATOM 1027 C THR A 59 1.473 -8.598 6.075 1.00 0.00 C ATOM 1028 O THR A 59 2.545 -8.546 5.476 1.00 0.00 O ATOM 1029 CB THR A 59 2.755 -7.652 8.005 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.571 -8.780 8.347 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.634 -6.744 9.200 1.00 0.00 C ATOM 0 HA THR A 59 0.689 -7.230 7.528 1.00 0.00 H new ATOM 0 HB THR A 59 3.232 -7.114 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.998 -9.534 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.628 -6.445 9.532 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.061 -5.858 8.927 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.125 -7.271 10.007 1.00 0.00 H new ATOM 1039 N ARG A 60 0.374 -9.077 5.517 1.00 0.00 N ATOM 1040 CA ARG A 60 0.404 -9.639 4.174 1.00 0.00 C ATOM 1041 C ARG A 60 -0.603 -8.955 3.256 1.00 0.00 C ATOM 1042 O ARG A 60 -1.804 -9.219 3.334 1.00 0.00 O ATOM 1043 CB ARG A 60 0.127 -11.139 4.245 1.00 0.00 C ATOM 1044 CG ARG A 60 1.166 -11.890 5.053 1.00 0.00 C ATOM 1045 CD ARG A 60 2.537 -11.770 4.401 1.00 0.00 C ATOM 1046 NE ARG A 60 3.579 -12.438 5.167 1.00 0.00 N ATOM 1047 CZ ARG A 60 4.865 -12.435 4.824 1.00 0.00 C ATOM 1048 NH1 ARG A 60 5.255 -11.835 3.704 1.00 0.00 N ATOM 1049 NH2 ARG A 60 5.754 -13.049 5.594 1.00 0.00 N ATOM 0 H ARG A 60 -0.542 -9.089 5.966 1.00 0.00 H new ATOM 0 HA ARG A 60 1.395 -9.469 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.857 -11.302 4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.095 -11.546 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.203 -11.493 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.885 -12.940 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.498 -12.196 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.792 -10.716 4.289 1.00 0.00 H new ATOM 0 HE ARG A 60 3.308 -12.937 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.568 -11.376 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.241 -11.834 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.451 -13.521 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.740 -13.049 5.334 1.00 0.00 H new ATOM 1063 N MET A 61 -0.118 -8.046 2.418 1.00 0.00 N ATOM 1064 CA MET A 61 -0.960 -7.397 1.420 1.00 0.00 C ATOM 1065 C MET A 61 -0.188 -7.243 0.110 1.00 0.00 C ATOM 1066 O MET A 61 1.029 -7.066 0.110 1.00 0.00 O ATOM 1067 CB MET A 61 -1.444 -6.020 1.901 1.00 0.00 C ATOM 1068 CG MET A 61 -1.869 -5.992 3.355 1.00 0.00 C ATOM 1069 SD MET A 61 -0.573 -5.387 4.451 1.00 0.00 S ATOM 1070 CE MET A 61 -0.757 -3.621 4.212 1.00 0.00 C ATOM 0 H MET A 61 0.855 -7.741 2.410 1.00 0.00 H new ATOM 0 HA MET A 61 -1.836 -8.026 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.646 -5.293 1.752 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.283 -5.704 1.281 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.751 -5.359 3.459 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.159 -6.996 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.181 -3.089 4.970 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.393 -3.348 3.222 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.809 -3.350 4.299 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.898 -7.320 -0.999 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.294 -7.167 -2.314 1.00 0.00 C ATOM 1082 C GLU A 62 -1.030 -6.093 -3.100 1.00 0.00 C ATOM 1083 O GLU A 62 -2.256 -6.074 -3.134 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.325 -8.502 -3.071 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.065 -8.377 -4.566 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.070 -9.720 -5.268 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.167 -10.233 -5.584 1.00 0.00 O ATOM 1088 OE2 GLU A 62 1.021 -10.277 -5.502 1.00 0.00 O ATOM 0 H GLU A 62 -1.904 -7.489 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 62 0.746 -6.863 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.420 -9.170 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.298 -8.970 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.824 -7.734 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.897 -7.891 -4.725 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.287 -5.185 -3.705 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.890 -4.177 -4.553 1.00 0.00 C ATOM 1097 C LEU A 63 -0.665 -4.560 -6.001 1.00 0.00 C ATOM 1098 O LEU A 63 0.475 -4.670 -6.459 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.290 -2.792 -4.274 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.942 -1.990 -3.139 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.324 -1.503 -3.547 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.034 -2.826 -1.876 1.00 0.00 C ATOM 0 H LEU A 63 0.728 -5.125 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.958 -4.125 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.768 -2.917 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.349 -2.202 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.314 -1.122 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.767 -0.937 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.240 -0.863 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.957 -2.359 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.499 -2.239 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.636 -3.714 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.034 -3.127 -1.565 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.742 -4.758 -6.723 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.642 -5.165 -8.104 1.00 0.00 C ATOM 1116 C ILE A 64 -2.365 -4.183 -9.014 1.00 0.00 C ATOM 1117 O ILE A 64 -3.577 -4.020 -8.939 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.180 -6.609 -8.293 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.423 -6.926 -9.773 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.440 -6.848 -7.463 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.171 -6.857 -10.623 1.00 0.00 C ATOM 0 H ILE A 64 -2.695 -4.644 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.589 -5.162 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.412 -7.293 -7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.853 -7.924 -9.856 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.160 -6.227 -10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.790 -7.868 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.214 -6.699 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.216 -6.147 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.420 -7.093 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.751 -5.853 -10.571 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.440 -7.576 -10.253 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.587 -3.520 -9.857 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.103 -2.596 -10.838 1.00 0.00 C ATOM 1135 C ILE A 65 -1.652 -3.069 -12.217 1.00 0.00 C ATOM 1136 O ILE A 65 -0.463 -3.030 -12.540 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.633 -1.141 -10.520 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.614 -0.231 -11.753 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.252 -1.153 -9.874 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.883 -0.226 -12.574 1.00 0.00 C ATOM 0 H ILE A 65 -0.571 -3.614 -9.874 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.193 -2.575 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.366 -0.730 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.408 0.789 -11.428 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.787 -0.535 -12.395 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.058 -0.130 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.290 -1.723 -8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.464 -1.615 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.765 0.449 -13.422 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.085 -1.234 -12.938 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.715 0.110 -11.956 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.609 -3.541 -13.032 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.332 -4.193 -14.315 1.00 0.00 C ATOM 1154 C PRO A 66 -1.501 -3.331 -15.254 1.00 0.00 C ATOM 1155 O PRO A 66 -1.951 -2.292 -15.738 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.717 -4.436 -14.909 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.638 -4.437 -13.740 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.055 -3.455 -12.766 1.00 0.00 C ATOM 0 HA PRO A 66 -1.746 -5.101 -14.176 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.984 -3.656 -15.622 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.757 -5.385 -15.445 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.646 -4.145 -14.035 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.710 -5.431 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.436 -2.447 -12.932 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.292 -3.720 -11.736 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.283 -3.773 -15.490 1.00 0.00 N ATOM 1167 CA GLY A 67 0.606 -3.073 -16.382 1.00 0.00 C ATOM 1168 C GLY A 67 1.949 -2.826 -15.740 1.00 0.00 C ATOM 1169 O GLY A 67 2.964 -3.379 -16.164 1.00 0.00 O ATOM 0 H GLY A 67 0.111 -4.617 -15.073 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.739 -3.653 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.159 -2.122 -16.671 1.00 0.00 H new ATOM 1173 N GLU A 68 1.948 -2.023 -14.689 1.00 0.00 N ATOM 1174 CA GLU A 68 3.181 -1.683 -13.998 1.00 0.00 C ATOM 1175 C GLU A 68 3.390 -2.608 -12.808 1.00 0.00 C ATOM 1176 O GLU A 68 4.405 -3.300 -12.740 1.00 0.00 O ATOM 1177 CB GLU A 68 3.147 -0.224 -13.558 1.00 0.00 C ATOM 1178 CG GLU A 68 2.894 0.731 -14.712 1.00 0.00 C ATOM 1179 CD GLU A 68 3.122 2.180 -14.345 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.173 2.834 -13.874 1.00 0.00 O ATOM 1181 OE2 GLU A 68 4.254 2.673 -14.541 1.00 0.00 O ATOM 0 H GLU A 68 1.109 -1.595 -14.296 1.00 0.00 H new ATOM 0 HA GLU A 68 4.021 -1.815 -14.680 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.368 -0.094 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.094 0.030 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.546 0.466 -15.544 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.868 0.608 -15.059 1.00 0.00 H new ATOM 1188 N GLN A 69 2.417 -2.612 -11.888 1.00 0.00 N ATOM 1189 CA GLN A 69 2.378 -3.536 -10.741 1.00 0.00 C ATOM 1190 C GLN A 69 3.745 -3.687 -10.050 1.00 0.00 C ATOM 1191 O GLN A 69 4.538 -2.740 -10.020 1.00 0.00 O ATOM 1192 CB GLN A 69 1.805 -4.897 -11.187 1.00 0.00 C ATOM 1193 CG GLN A 69 2.655 -5.662 -12.195 1.00 0.00 C ATOM 1194 CD GLN A 69 1.856 -6.696 -12.966 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.674 -6.503 -13.242 1.00 0.00 O ATOM 1196 NE2 GLN A 69 2.490 -7.807 -13.309 1.00 0.00 N ATOM 0 H GLN A 69 1.626 -1.969 -11.917 1.00 0.00 H new ATOM 0 HA GLN A 69 1.717 -3.106 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.667 -5.522 -10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.818 -4.733 -11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.103 -4.958 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.474 -6.156 -11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.472 -7.931 -13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.996 -8.539 -13.820 1.00 0.00 H new ATOM 1205 N HIS A 70 3.985 -4.863 -9.461 1.00 0.00 N ATOM 1206 CA HIS A 70 5.240 -5.169 -8.769 1.00 0.00 C ATOM 1207 C HIS A 70 5.297 -4.436 -7.427 1.00 0.00 C ATOM 1208 O HIS A 70 6.357 -3.979 -6.981 1.00 0.00 O ATOM 1209 CB HIS A 70 6.454 -4.818 -9.651 1.00 0.00 C ATOM 1210 CG HIS A 70 7.771 -5.341 -9.148 1.00 0.00 C ATOM 1211 ND1 HIS A 70 8.877 -4.542 -8.958 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.162 -6.597 -8.826 1.00 0.00 C ATOM 1213 CE1 HIS A 70 9.886 -5.280 -8.539 1.00 0.00 C ATOM 1214 NE2 HIS A 70 9.482 -6.533 -8.449 1.00 0.00 N ATOM 0 H HIS A 70 3.313 -5.630 -9.451 1.00 0.00 H new ATOM 0 HA HIS A 70 5.277 -6.241 -8.573 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.282 -5.210 -10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.520 -3.734 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.549 -7.486 -8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.877 -4.919 -8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.054 -7.323 -8.150 1.00 0.00 H new ATOM 1223 N PHE A 71 4.142 -4.330 -6.779 1.00 0.00 N ATOM 1224 CA PHE A 71 4.052 -3.707 -5.467 1.00 0.00 C ATOM 1225 C PHE A 71 3.566 -4.707 -4.423 1.00 0.00 C ATOM 1226 O PHE A 71 2.423 -5.149 -4.451 1.00 0.00 O ATOM 1227 CB PHE A 71 3.108 -2.501 -5.499 1.00 0.00 C ATOM 1228 CG PHE A 71 3.663 -1.302 -6.215 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.476 -0.401 -5.546 1.00 0.00 C ATOM 1230 CD2 PHE A 71 3.364 -1.068 -7.547 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.985 0.709 -6.193 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.870 0.038 -8.200 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.681 0.929 -7.522 1.00 0.00 C ATOM 0 H PHE A 71 3.252 -4.670 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 71 5.051 -3.368 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.175 -2.797 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.864 -2.218 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.715 -0.568 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.728 -1.759 -8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.619 1.403 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.632 0.207 -9.240 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.076 1.796 -8.031 1.00 0.00 H new ATOM 1243 N TYR A 72 4.446 -5.065 -3.509 1.00 0.00 N ATOM 1244 CA TYR A 72 4.081 -5.915 -2.391 1.00 0.00 C ATOM 1245 C TYR A 72 4.140 -5.082 -1.125 1.00 0.00 C ATOM 1246 O TYR A 72 5.000 -4.210 -1.006 1.00 0.00 O ATOM 1247 CB TYR A 72 5.032 -7.115 -2.303 1.00 0.00 C ATOM 1248 CG TYR A 72 4.616 -8.163 -1.289 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.641 -9.109 -1.591 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.203 -8.212 -0.031 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.267 -10.071 -0.669 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.835 -9.169 0.896 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.868 -10.096 0.573 1.00 0.00 C ATOM 1254 OH TYR A 72 3.507 -11.057 1.494 1.00 0.00 O ATOM 0 H TYR A 72 5.425 -4.779 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 72 3.072 -6.306 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.101 -7.583 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.030 -6.756 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.168 -9.092 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.962 -7.488 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.509 -10.798 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.303 -9.190 1.869 1.00 0.00 H new ATOM 0 HH TYR A 72 3.225 -11.870 1.025 1.00 0.00 H new ATOM 1264 N MET A 73 3.226 -5.317 -0.199 1.00 0.00 N ATOM 1265 CA MET A 73 3.202 -4.546 1.032 1.00 0.00 C ATOM 1266 C MET A 73 3.339 -5.439 2.251 1.00 0.00 C ATOM 1267 O MET A 73 2.718 -6.496 2.349 1.00 0.00 O ATOM 1268 CB MET A 73 1.910 -3.727 1.148 1.00 0.00 C ATOM 1269 CG MET A 73 1.955 -2.380 0.440 1.00 0.00 C ATOM 1270 SD MET A 73 0.516 -1.352 0.821 1.00 0.00 S ATOM 1271 CE MET A 73 0.983 0.208 0.073 1.00 0.00 C ATOM 0 H MET A 73 2.498 -6.028 -0.274 1.00 0.00 H new ATOM 0 HA MET A 73 4.054 -3.868 0.995 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.086 -4.311 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.692 -3.562 2.203 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.863 -1.851 0.729 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.009 -2.540 -0.637 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.269 0.979 0.363 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.980 0.490 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.984 0.105 -1.012 1.00 0.00 H new ATOM 1281 N LYS A 74 4.161 -4.991 3.178 1.00 0.00 N ATOM 1282 CA LYS A 74 4.270 -5.609 4.481 1.00 0.00 C ATOM 1283 C LYS A 74 4.463 -4.510 5.506 1.00 0.00 C ATOM 1284 O LYS A 74 5.406 -3.720 5.415 1.00 0.00 O ATOM 1285 CB LYS A 74 5.436 -6.602 4.532 1.00 0.00 C ATOM 1286 CG LYS A 74 5.653 -7.225 5.900 1.00 0.00 C ATOM 1287 CD LYS A 74 7.037 -7.841 6.012 1.00 0.00 C ATOM 1288 CE LYS A 74 7.262 -8.463 7.379 1.00 0.00 C ATOM 1289 NZ LYS A 74 8.682 -8.859 7.579 1.00 0.00 N ATOM 0 H LYS A 74 4.773 -4.186 3.047 1.00 0.00 H new ATOM 0 HA LYS A 74 3.362 -6.173 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.257 -7.395 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.349 -6.091 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.527 -6.466 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.897 -7.989 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.161 -8.601 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.792 -7.076 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.970 -7.754 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.622 -9.338 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.795 -9.279 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.954 -9.555 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.291 -8.020 7.498 1.00 0.00 H new ATOM 1303 N ALA A 75 3.549 -4.439 6.452 1.00 0.00 N ATOM 1304 CA ALA A 75 3.575 -3.403 7.464 1.00 0.00 C ATOM 1305 C ALA A 75 4.558 -3.751 8.578 1.00 0.00 C ATOM 1306 O ALA A 75 5.196 -4.803 8.539 1.00 0.00 O ATOM 1307 CB ALA A 75 2.175 -3.200 8.013 1.00 0.00 C ATOM 0 H ALA A 75 2.772 -5.093 6.541 1.00 0.00 H new ATOM 0 HA ALA A 75 3.916 -2.472 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.192 -2.421 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.507 -2.903 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.819 -4.131 8.454 1.00 0.00 H new ATOM 1313 N VAL A 76 4.684 -2.862 9.559 1.00 0.00 N ATOM 1314 CA VAL A 76 5.584 -3.079 10.690 1.00 0.00 C ATOM 1315 C VAL A 76 5.246 -4.380 11.411 1.00 0.00 C ATOM 1316 O VAL A 76 6.086 -5.273 11.542 1.00 0.00 O ATOM 1317 CB VAL A 76 5.509 -1.907 11.692 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.413 -2.156 12.888 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.869 -0.597 11.009 1.00 0.00 C ATOM 0 H VAL A 76 4.172 -1.980 9.594 1.00 0.00 H new ATOM 0 HA VAL A 76 6.597 -3.142 10.292 1.00 0.00 H new ATOM 0 HB VAL A 76 4.484 -1.835 12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.342 -1.316 13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.103 -3.070 13.395 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.444 -2.261 12.549 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.811 0.218 11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.883 -0.659 10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.172 -0.409 10.192 1.00 0.00 H new ATOM 1329 N ASN A 77 4.006 -4.482 11.855 1.00 0.00 N ATOM 1330 CA ASN A 77 3.536 -5.663 12.554 1.00 0.00 C ATOM 1331 C ASN A 77 2.093 -5.937 12.166 1.00 0.00 C ATOM 1332 O ASN A 77 1.458 -5.087 11.544 1.00 0.00 O ATOM 1333 CB ASN A 77 3.689 -5.499 14.072 1.00 0.00 C ATOM 1334 CG ASN A 77 3.140 -4.188 14.589 1.00 0.00 C ATOM 1335 OD1 ASN A 77 3.822 -3.167 14.578 1.00 0.00 O ATOM 1336 ND2 ASN A 77 1.920 -4.213 15.079 1.00 0.00 N ATOM 0 H ASN A 77 3.301 -3.753 11.742 1.00 0.00 H new ATOM 0 HA ASN A 77 4.144 -6.519 12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.179 -6.322 14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.745 -5.572 14.334 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.509 -3.364 15.468 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.385 -5.081 15.070 1.00 0.00 H new ATOM 1343 N ALA A 78 1.596 -7.129 12.486 1.00 0.00 N ATOM 1344 CA ALA A 78 0.263 -7.568 12.049 1.00 0.00 C ATOM 1345 C ALA A 78 -0.805 -6.496 12.306 1.00 0.00 C ATOM 1346 O ALA A 78 -1.671 -6.259 11.462 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.113 -8.865 12.752 1.00 0.00 C ATOM 0 H ALA A 78 2.096 -7.816 13.050 1.00 0.00 H new ATOM 0 HA ALA A 78 0.305 -7.737 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.102 -9.184 12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.617 -9.636 12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.124 -8.705 13.830 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.730 -5.851 13.470 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.638 -4.761 13.824 1.00 0.00 C ATOM 1355 C ALA A 79 -1.518 -3.587 12.856 1.00 0.00 C ATOM 1356 O ALA A 79 -2.518 -3.009 12.434 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.347 -4.293 15.233 1.00 0.00 C ATOM 0 H ALA A 79 -0.042 -6.068 14.191 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.657 -5.142 13.761 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.025 -3.481 15.494 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.488 -5.121 15.928 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.318 -3.940 15.294 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.286 -3.241 12.507 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.033 -2.156 11.566 1.00 0.00 C ATOM 1365 C GLU A 80 -0.614 -2.474 10.194 1.00 0.00 C ATOM 1366 O GLU A 80 -1.044 -1.581 9.463 1.00 0.00 O ATOM 1367 CB GLU A 80 1.459 -1.879 11.462 1.00 0.00 C ATOM 1368 CG GLU A 80 2.016 -1.262 12.722 1.00 0.00 C ATOM 1369 CD GLU A 80 1.260 -0.017 13.129 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.463 1.043 12.505 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.444 -0.102 14.064 1.00 0.00 O ATOM 0 H GLU A 80 0.555 -3.696 12.861 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.528 -1.261 11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.985 -2.810 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.645 -1.212 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.975 -1.991 13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.066 -1.014 12.570 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.622 -3.757 9.850 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.283 -4.213 8.634 1.00 0.00 C ATOM 1380 C ARG A 81 -2.755 -3.819 8.666 1.00 0.00 C ATOM 1381 O ARG A 81 -3.311 -3.390 7.660 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.171 -5.732 8.482 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.899 -6.264 7.259 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.206 -7.742 7.384 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.686 -8.305 6.125 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.687 -9.178 6.030 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -4.387 -9.518 7.103 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -3.989 -9.704 4.854 1.00 0.00 N ATOM 0 H ARG A 81 -0.180 -4.497 10.394 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.790 -3.740 7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.118 -6.008 8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.574 -6.211 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.828 -5.711 7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.290 -6.093 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.309 -8.274 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.957 -7.893 8.159 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.225 -8.011 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.160 -9.110 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.152 -10.187 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.456 -9.440 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.755 -10.373 4.776 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.366 -3.951 9.840 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.777 -3.632 10.019 1.00 0.00 C ATOM 1404 C GLN A 82 -5.043 -2.159 9.724 1.00 0.00 C ATOM 1405 O GLN A 82 -6.088 -1.819 9.177 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.224 -3.981 11.445 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.682 -3.656 11.741 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.651 -4.488 10.923 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.067 -5.568 11.341 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.024 -3.990 9.756 1.00 0.00 N ATOM 0 H GLN A 82 -2.901 -4.279 10.686 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.355 -4.229 9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.059 -5.045 11.615 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.593 -3.444 12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.877 -3.818 12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.861 -2.599 11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.657 -3.091 9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.679 -4.505 9.168 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.092 -1.295 10.072 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.225 0.137 9.807 1.00 0.00 C ATOM 1421 C ARG A 83 -4.334 0.403 8.307 1.00 0.00 C ATOM 1422 O ARG A 83 -5.211 1.146 7.848 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.019 0.893 10.368 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.079 1.155 11.861 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.818 1.846 12.343 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.084 2.765 13.445 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.152 3.217 14.284 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.090 2.747 14.232 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.469 4.133 15.190 1.00 0.00 N ATOM 0 H ARG A 83 -3.223 -1.560 10.537 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.134 0.487 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.115 0.325 10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.930 1.847 9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.947 1.773 12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.208 0.213 12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.094 1.097 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.366 2.393 11.516 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.044 3.082 13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.337 2.034 13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.796 3.099 14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.423 4.489 15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.758 4.481 15.834 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.458 -0.237 7.542 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.492 -0.120 6.092 1.00 0.00 C ATOM 1445 C TRP A 84 -4.723 -0.813 5.542 1.00 0.00 C ATOM 1446 O TRP A 84 -5.332 -0.348 4.590 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.216 -0.689 5.473 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.036 0.186 5.734 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.077 0.008 6.684 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.704 1.391 5.044 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.822 1.045 6.641 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.461 1.904 5.640 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.284 2.092 3.985 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.057 3.085 5.210 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.687 3.258 3.554 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.472 3.746 4.169 1.00 0.00 C ATOM 0 H TRP A 84 -2.718 -0.840 7.901 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.546 0.936 5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.028 -1.683 5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.353 -0.803 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.030 -0.825 7.370 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.628 1.157 7.256 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.184 1.728 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.950 3.465 5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.121 3.803 2.729 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.913 4.665 3.812 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.095 -1.912 6.172 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.296 -2.646 5.807 1.00 0.00 C ATOM 1469 C LEU A 85 -7.550 -1.801 6.006 1.00 0.00 C ATOM 1470 O LEU A 85 -8.526 -1.959 5.282 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.381 -3.955 6.589 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.918 -5.190 5.822 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.551 -4.958 5.189 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.876 -6.381 6.756 1.00 0.00 C ATOM 0 H LEU A 85 -4.576 -2.321 6.949 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.234 -2.886 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.781 -3.861 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.413 -4.107 6.905 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.627 -5.390 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.244 -5.853 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.608 -4.118 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.822 -4.737 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.545 -7.263 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.181 -6.180 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.871 -6.559 7.163 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.537 -0.917 6.994 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.659 -0.020 7.203 1.00 0.00 C ATOM 1488 C VAL A 86 -8.835 0.910 6.007 1.00 0.00 C ATOM 1489 O VAL A 86 -9.928 1.009 5.458 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.474 0.817 8.485 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.519 1.920 8.574 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.547 -0.072 9.712 1.00 0.00 C ATOM 0 H VAL A 86 -6.769 -0.804 7.656 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.553 -0.634 7.314 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.489 1.283 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.365 2.494 9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.427 2.579 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.515 1.477 8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.415 0.534 10.609 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.519 -0.565 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.760 -0.825 9.663 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.763 1.575 5.594 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.854 2.496 4.466 1.00 0.00 C ATOM 1504 C ALA A 87 -7.968 1.753 3.129 1.00 0.00 C ATOM 1505 O ALA A 87 -8.885 1.993 2.346 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.645 3.419 4.454 1.00 0.00 C ATOM 0 H ALA A 87 -6.836 1.497 6.013 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.762 3.086 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.719 4.104 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.613 3.989 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.735 2.826 4.361 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.054 0.820 2.903 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.969 0.095 1.637 1.00 0.00 C ATOM 1514 C LEU A 88 -8.098 -0.922 1.486 1.00 0.00 C ATOM 1515 O LEU A 88 -8.653 -1.089 0.404 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.615 -0.602 1.526 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.400 0.326 1.615 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.133 -0.473 1.887 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.254 1.135 0.334 1.00 0.00 C ATOM 0 H LEU A 88 -6.351 0.543 3.588 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.073 0.822 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.542 -1.349 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.576 -1.137 0.577 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.555 1.016 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.281 0.205 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.237 -1.009 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.973 -1.187 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.386 1.789 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.122 0.459 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.149 1.737 0.180 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.430 -1.597 2.581 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.445 -2.640 2.548 1.00 0.00 C ATOM 1533 C GLY A 89 -10.812 -2.109 2.178 1.00 0.00 C ATOM 1534 O GLY A 89 -11.620 -2.826 1.580 1.00 0.00 O ATOM 0 H GLY A 89 -8.012 -1.441 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.150 -3.406 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.498 -3.121 3.525 1.00 0.00 H new ATOM 1538 N SER A 90 -11.073 -0.856 2.538 1.00 0.00 N ATOM 1539 CA SER A 90 -12.313 -0.194 2.165 1.00 0.00 C ATOM 1540 C SER A 90 -12.416 -0.107 0.651 1.00 0.00 C ATOM 1541 O SER A 90 -13.494 -0.248 0.077 1.00 0.00 O ATOM 1542 CB SER A 90 -12.362 1.206 2.772 1.00 0.00 C ATOM 1543 OG SER A 90 -12.130 1.156 4.168 1.00 0.00 O ATOM 0 H SER A 90 -10.438 -0.279 3.090 1.00 0.00 H new ATOM 0 HA SER A 90 -13.154 -0.774 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.614 1.840 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.334 1.659 2.576 1.00 0.00 H new ATOM 0 HG SER A 90 -11.167 1.213 4.342 1.00 0.00 H new ATOM 1549 N SER A 91 -11.270 0.111 0.017 1.00 0.00 N ATOM 1550 CA SER A 91 -11.197 0.192 -1.425 1.00 0.00 C ATOM 1551 C SER A 91 -11.448 -1.176 -2.053 1.00 0.00 C ATOM 1552 O SER A 91 -12.186 -1.281 -3.024 1.00 0.00 O ATOM 1553 CB SER A 91 -9.834 0.743 -1.850 1.00 0.00 C ATOM 1554 OG SER A 91 -9.771 0.946 -3.251 1.00 0.00 O ATOM 0 H SER A 91 -10.375 0.235 0.490 1.00 0.00 H new ATOM 0 HA SER A 91 -11.972 0.872 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.645 1.685 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.049 0.050 -1.546 1.00 0.00 H new ATOM 0 HG SER A 91 -9.628 1.897 -3.438 1.00 0.00 H new ATOM 1560 N LYS A 92 -10.848 -2.227 -1.485 1.00 0.00 N ATOM 1561 CA LYS A 92 -10.990 -3.569 -2.020 1.00 0.00 C ATOM 1562 C LYS A 92 -12.437 -4.045 -1.931 1.00 0.00 C ATOM 1563 O LYS A 92 -12.938 -4.727 -2.831 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.053 -4.521 -1.271 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.562 -5.933 -1.179 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.548 -6.844 -0.519 1.00 0.00 C ATOM 1567 CE LYS A 92 -9.745 -8.274 -0.971 1.00 0.00 C ATOM 1568 NZ LYS A 92 -10.954 -8.897 -0.367 1.00 0.00 N ATOM 0 H LYS A 92 -10.260 -2.166 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.715 -3.558 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.084 -4.527 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.891 -4.137 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.492 -5.950 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.791 -6.304 -2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.539 -6.514 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.647 -6.782 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.830 -8.301 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.866 -8.861 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.047 -9.876 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.864 -8.897 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.798 -8.354 -0.641 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.099 -3.677 -0.846 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.478 -4.050 -0.630 1.00 0.00 C ATOM 1584 C ALA A 93 -15.397 -3.309 -1.595 1.00 0.00 C ATOM 1585 O ALA A 93 -15.658 -2.116 -1.426 1.00 0.00 O ATOM 1586 CB ALA A 93 -14.861 -3.777 0.812 1.00 0.00 C ATOM 0 H ALA A 93 -12.694 -3.115 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.593 -5.116 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.902 -4.059 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.221 -4.359 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.736 -2.716 1.027 1.00 0.00 H new