USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 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 28 SER OG : rot 180:sc= 0.697 USER MOD Set 1.2: A 43 SER OG : rot -111:sc= 0.799 USER MOD Set 2.1: A 9 THR OG1 : rot 106:sc= 1.39 USER MOD Set 2.2: A 13 THR OG1 : rot 24:sc= 0.373 USER MOD Single : A 0 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 172:sc= -0.123 (180deg=-0.28) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 10 ASN : amide:sc= 0.288 K(o=0.29,f=-6.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.372 K(o=0.37,f=-7.8!) USER MOD Single : A 24 ASN : amide:sc= -0.0975 K(o=-0.098,f=-0.72) 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 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.068) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 141:sc= -0.353 (180deg=-2.61) USER MOD Single : A 49 CYS SG : rot -20:sc= -0.886 USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 0.838 (180deg=-0.0958!) USER MOD Single : A 59 THR OG1 : rot 59:sc= 0.325 USER MOD Single : A 61 MET CE :methyl 166:sc=-0.00658 (180deg=-0.296) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.049) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 168:sc= -1.21 (180deg=-1.86!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.63! C(o=-1.6!,f=-6.8!) USER MOD Single : A 82 GLN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 90 SER OG : rot -94:sc= 0.0834 USER MOD Single : A 91 SER OG : rot 130:sc= -0.527 USER MOD Single : A 92 LYS NZ :NH3+ -143:sc= -2.1! (180deg=-4.15!) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -6.428 10.469 3.936 1.00 0.00 N ATOM 91 CA PHE A 0 -4.975 10.559 3.909 1.00 0.00 C ATOM 92 C PHE A 0 -4.353 9.565 4.884 1.00 0.00 C ATOM 93 O PHE A 0 -4.739 9.499 6.052 1.00 0.00 O ATOM 94 CB PHE A 0 -4.522 11.984 4.248 1.00 0.00 C ATOM 95 CG PHE A 0 -3.041 12.201 4.097 1.00 0.00 C ATOM 96 CD1 PHE A 0 -2.473 12.359 2.842 1.00 0.00 C ATOM 97 CD2 PHE A 0 -2.219 12.245 5.210 1.00 0.00 C ATOM 98 CE1 PHE A 0 -1.112 12.559 2.702 1.00 0.00 C ATOM 99 CE2 PHE A 0 -0.859 12.445 5.076 1.00 0.00 C ATOM 100 CZ PHE A 0 -0.305 12.601 3.822 1.00 0.00 C ATOM 0 H1 PHE A 0 -6.831 11.154 3.265 1.00 0.00 H new ATOM 0 H2 PHE A 0 -6.721 9.508 3.668 1.00 0.00 H new ATOM 0 H3 PHE A 0 -6.771 10.681 4.895 1.00 0.00 H new ATOM 0 HA PHE A 0 -4.638 10.312 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -5.051 12.687 3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -4.811 12.213 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -3.101 12.325 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -2.646 12.122 6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -0.681 12.682 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -0.229 12.479 5.953 1.00 0.00 H new ATOM 0 HZ PHE A 0 0.759 12.756 3.716 1.00 0.00 H new ATOM 110 N MET A 1 -3.399 8.790 4.393 1.00 0.00 N ATOM 111 CA MET A 1 -2.682 7.823 5.216 1.00 0.00 C ATOM 112 C MET A 1 -1.203 7.813 4.842 1.00 0.00 C ATOM 113 O MET A 1 -0.865 7.837 3.659 1.00 0.00 O ATOM 114 CB MET A 1 -3.279 6.426 5.029 1.00 0.00 C ATOM 115 CG MET A 1 -2.507 5.330 5.743 1.00 0.00 C ATOM 116 SD MET A 1 -2.537 5.507 7.534 1.00 0.00 S ATOM 117 CE MET A 1 -1.355 4.247 8.002 1.00 0.00 C ATOM 0 H MET A 1 -3.099 8.811 3.418 1.00 0.00 H new ATOM 0 HA MET A 1 -2.781 8.111 6.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.307 6.429 5.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.317 6.197 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.926 4.361 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.473 5.338 5.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.149 4.320 9.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.765 3.262 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.430 4.391 7.444 1.00 0.00 H new ATOM 127 N GLU A 2 -0.328 7.779 5.841 1.00 0.00 N ATOM 128 CA GLU A 2 1.110 7.768 5.598 1.00 0.00 C ATOM 129 C GLU A 2 1.800 6.690 6.432 1.00 0.00 C ATOM 130 O GLU A 2 1.256 6.218 7.431 1.00 0.00 O ATOM 131 CB GLU A 2 1.732 9.133 5.913 1.00 0.00 C ATOM 132 CG GLU A 2 1.691 9.511 7.388 1.00 0.00 C ATOM 133 CD GLU A 2 0.388 10.157 7.813 1.00 0.00 C ATOM 134 OE1 GLU A 2 -0.577 9.429 8.136 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.337 11.404 7.849 1.00 0.00 O ATOM 0 H GLU A 2 -0.589 7.759 6.827 1.00 0.00 H new ATOM 0 HA GLU A 2 1.258 7.546 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.769 9.133 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.211 9.899 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.856 8.616 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.513 10.195 7.602 1.00 0.00 H new ATOM 142 N GLY A 3 2.992 6.300 6.002 1.00 0.00 N ATOM 143 CA GLY A 3 3.781 5.339 6.746 1.00 0.00 C ATOM 144 C GLY A 3 4.679 4.532 5.835 1.00 0.00 C ATOM 145 O GLY A 3 4.803 4.847 4.650 1.00 0.00 O ATOM 0 H GLY A 3 3.429 6.635 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.387 5.861 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.118 4.668 7.292 1.00 0.00 H new ATOM 149 N VAL A 4 5.311 3.495 6.371 1.00 0.00 N ATOM 150 CA VAL A 4 6.178 2.652 5.560 1.00 0.00 C ATOM 151 C VAL A 4 5.645 1.226 5.521 1.00 0.00 C ATOM 152 O VAL A 4 4.933 0.788 6.429 1.00 0.00 O ATOM 153 CB VAL A 4 7.658 2.640 6.048 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.003 3.914 6.803 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.974 1.406 6.885 1.00 0.00 C ATOM 0 H VAL A 4 5.241 3.221 7.351 1.00 0.00 H new ATOM 0 HA VAL A 4 6.173 3.085 4.560 1.00 0.00 H new ATOM 0 HB VAL A 4 8.285 2.596 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.042 3.873 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.862 4.774 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.353 4.009 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.016 1.439 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.327 1.386 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.806 0.509 6.289 1.00 0.00 H new ATOM 165 N LEU A 5 5.979 0.515 4.458 1.00 0.00 N ATOM 166 CA LEU A 5 5.601 -0.881 4.311 1.00 0.00 C ATOM 167 C LEU A 5 6.828 -1.692 3.929 1.00 0.00 C ATOM 168 O LEU A 5 7.753 -1.171 3.298 1.00 0.00 O ATOM 169 CB LEU A 5 4.510 -1.077 3.242 1.00 0.00 C ATOM 170 CG LEU A 5 3.082 -0.620 3.599 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.616 -1.209 4.926 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.984 0.896 3.604 1.00 0.00 C ATOM 0 H LEU A 5 6.517 0.886 3.675 1.00 0.00 H new ATOM 0 HA LEU A 5 5.196 -1.219 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.820 -0.545 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.472 -2.137 2.989 1.00 0.00 H new ATOM 0 HG LEU A 5 2.413 -0.999 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.605 -0.863 5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.622 -2.297 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.288 -0.888 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.967 1.194 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.677 1.303 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.238 1.280 2.616 1.00 0.00 H new ATOM 184 N TYR A 6 6.844 -2.953 4.333 1.00 0.00 N ATOM 185 CA TYR A 6 7.939 -3.852 3.996 1.00 0.00 C ATOM 186 C TYR A 6 7.899 -4.195 2.513 1.00 0.00 C ATOM 187 O TYR A 6 7.080 -5.009 2.080 1.00 0.00 O ATOM 188 CB TYR A 6 7.868 -5.156 4.810 1.00 0.00 C ATOM 189 CG TYR A 6 8.048 -5.005 6.316 1.00 0.00 C ATOM 190 CD1 TYR A 6 7.576 -3.893 7.003 1.00 0.00 C ATOM 191 CD2 TYR A 6 8.711 -5.986 7.045 1.00 0.00 C ATOM 192 CE1 TYR A 6 7.749 -3.765 8.367 1.00 0.00 C ATOM 193 CE2 TYR A 6 8.889 -5.865 8.410 1.00 0.00 C ATOM 194 CZ TYR A 6 8.409 -4.751 9.065 1.00 0.00 C ATOM 195 OH TYR A 6 8.585 -4.625 10.425 1.00 0.00 O ATOM 0 H TYR A 6 6.108 -3.379 4.897 1.00 0.00 H new ATOM 0 HA TYR A 6 8.869 -3.338 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.903 -5.627 4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.633 -5.837 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.064 -3.113 6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.094 -6.858 6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.369 -2.896 8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.402 -6.639 8.961 1.00 0.00 H new ATOM 0 HH TYR A 6 9.068 -5.406 10.766 1.00 0.00 H new ATOM 205 N LYS A 7 8.775 -3.577 1.738 1.00 0.00 N ATOM 206 CA LYS A 7 8.846 -3.846 0.311 1.00 0.00 C ATOM 207 C LYS A 7 9.962 -4.836 0.017 1.00 0.00 C ATOM 208 O LYS A 7 11.135 -4.557 0.268 1.00 0.00 O ATOM 209 CB LYS A 7 9.091 -2.551 -0.475 1.00 0.00 C ATOM 210 CG LYS A 7 9.216 -2.763 -1.979 1.00 0.00 C ATOM 211 CD LYS A 7 7.890 -3.170 -2.605 1.00 0.00 C ATOM 212 CE LYS A 7 8.056 -3.612 -4.053 1.00 0.00 C ATOM 213 NZ LYS A 7 8.823 -2.627 -4.865 1.00 0.00 N ATOM 0 H LYS A 7 9.447 -2.886 2.073 1.00 0.00 H new ATOM 0 HA LYS A 7 7.892 -4.272 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.272 -1.858 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.002 -2.079 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.572 -1.845 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.963 -3.532 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.450 -3.982 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.195 -2.332 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.566 -4.575 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.073 -3.759 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.751 -2.876 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.433 -1.675 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.822 -2.641 -4.576 1.00 0.00 H new ATOM 227 N TRP A 8 9.589 -5.997 -0.498 1.00 0.00 N ATOM 228 CA TRP A 8 10.568 -6.992 -0.898 1.00 0.00 C ATOM 229 C TRP A 8 11.307 -6.512 -2.141 1.00 0.00 C ATOM 230 O TRP A 8 10.688 -6.054 -3.104 1.00 0.00 O ATOM 231 CB TRP A 8 9.892 -8.342 -1.164 1.00 0.00 C ATOM 232 CG TRP A 8 10.871 -9.436 -1.474 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.219 -9.903 -2.710 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.642 -10.193 -0.529 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.156 -10.902 -2.592 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.431 -11.100 -1.263 1.00 0.00 C ATOM 237 CE3 TRP A 8 11.742 -10.194 0.866 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.305 -11.995 -0.650 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.610 -11.083 1.474 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.382 -11.973 0.715 1.00 0.00 C ATOM 0 H TRP A 8 8.618 -6.272 -0.648 1.00 0.00 H new ATOM 0 HA TRP A 8 11.284 -7.128 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.303 -8.625 -0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.197 -8.237 -1.997 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.816 -9.540 -3.644 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.578 -11.413 -3.367 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.151 -9.512 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 13.901 -12.682 -1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.694 -11.091 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.051 -12.655 1.218 1.00 0.00 H new ATOM 251 N THR A 9 12.627 -6.603 -2.110 1.00 0.00 N ATOM 252 CA THR A 9 13.448 -6.121 -3.208 1.00 0.00 C ATOM 253 C THR A 9 14.204 -7.262 -3.880 1.00 0.00 C ATOM 254 O THR A 9 13.966 -7.583 -5.046 1.00 0.00 O ATOM 255 CB THR A 9 14.440 -5.050 -2.716 1.00 0.00 C ATOM 256 OG1 THR A 9 15.069 -5.481 -1.497 1.00 0.00 O ATOM 257 CG2 THR A 9 13.724 -3.728 -2.489 1.00 0.00 C ATOM 0 H THR A 9 13.153 -7.007 -1.335 1.00 0.00 H new ATOM 0 HA THR A 9 12.780 -5.674 -3.945 1.00 0.00 H new ATOM 0 HB THR A 9 15.204 -4.908 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.991 -5.755 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.439 -2.982 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.275 -3.392 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.944 -3.861 -1.739 1.00 0.00 H new ATOM 265 N ASN A 10 15.110 -7.871 -3.136 1.00 0.00 N ATOM 266 CA ASN A 10 15.893 -8.995 -3.625 1.00 0.00 C ATOM 267 C ASN A 10 16.207 -9.903 -2.446 1.00 0.00 C ATOM 268 O ASN A 10 15.999 -9.511 -1.304 1.00 0.00 O ATOM 269 CB ASN A 10 17.187 -8.490 -4.278 1.00 0.00 C ATOM 270 CG ASN A 10 17.977 -9.580 -4.981 1.00 0.00 C ATOM 271 OD1 ASN A 10 18.806 -10.251 -4.368 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.741 -9.751 -6.271 1.00 0.00 N ATOM 0 H ASN A 10 15.325 -7.601 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 10 15.332 -9.549 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.941 -7.709 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.815 -8.032 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.255 -10.460 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.045 -9.174 -6.743 1.00 0.00 H new ATOM 279 N TYR A 11 16.708 -11.097 -2.699 1.00 0.00 N ATOM 280 CA TYR A 11 17.008 -12.016 -1.608 1.00 0.00 C ATOM 281 C TYR A 11 18.298 -11.606 -0.900 1.00 0.00 C ATOM 282 O TYR A 11 18.483 -11.886 0.283 1.00 0.00 O ATOM 283 CB TYR A 11 17.083 -13.465 -2.109 1.00 0.00 C ATOM 284 CG TYR A 11 18.173 -13.737 -3.126 1.00 0.00 C ATOM 285 CD1 TYR A 11 17.975 -13.478 -4.477 1.00 0.00 C ATOM 286 CD2 TYR A 11 19.398 -14.265 -2.735 1.00 0.00 C ATOM 287 CE1 TYR A 11 18.963 -13.737 -5.404 1.00 0.00 C ATOM 288 CE2 TYR A 11 20.387 -14.528 -3.658 1.00 0.00 C ATOM 289 CZ TYR A 11 20.167 -14.260 -4.988 1.00 0.00 C ATOM 290 OH TYR A 11 21.152 -14.528 -5.907 1.00 0.00 O ATOM 0 H TYR A 11 16.914 -11.453 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 11 16.194 -11.963 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.234 -14.122 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.122 -13.731 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.032 -13.067 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.578 -14.473 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.793 -13.531 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.331 -14.943 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 11 21.938 -14.892 -5.448 1.00 0.00 H new ATOM 300 N LEU A 12 19.184 -10.937 -1.630 1.00 0.00 N ATOM 301 CA LEU A 12 20.428 -10.431 -1.057 1.00 0.00 C ATOM 302 C LEU A 12 20.170 -9.219 -0.167 1.00 0.00 C ATOM 303 O LEU A 12 20.789 -9.070 0.886 1.00 0.00 O ATOM 304 CB LEU A 12 21.416 -10.064 -2.165 1.00 0.00 C ATOM 305 CG LEU A 12 21.920 -11.243 -2.997 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.791 -10.757 -4.143 1.00 0.00 C ATOM 307 CD2 LEU A 12 22.692 -12.222 -2.121 1.00 0.00 C ATOM 0 H LEU A 12 19.064 -10.732 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 12 20.859 -11.222 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.940 -9.345 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.273 -9.563 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 12 21.057 -11.759 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.140 -11.612 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.211 -10.095 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.649 -10.215 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.044 -13.055 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.546 -11.714 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.039 -12.598 -1.333 1.00 0.00 H new ATOM 319 N THR A 13 19.257 -8.358 -0.602 1.00 0.00 N ATOM 320 CA THR A 13 18.945 -7.134 0.126 1.00 0.00 C ATOM 321 C THR A 13 17.860 -7.361 1.176 1.00 0.00 C ATOM 322 O THR A 13 17.787 -6.649 2.181 1.00 0.00 O ATOM 323 CB THR A 13 18.486 -6.030 -0.845 1.00 0.00 C ATOM 324 OG1 THR A 13 17.532 -6.567 -1.772 1.00 0.00 O ATOM 325 CG2 THR A 13 19.667 -5.443 -1.603 1.00 0.00 C ATOM 0 H THR A 13 18.718 -8.486 -1.459 1.00 0.00 H new ATOM 0 HA THR A 13 19.858 -6.822 0.634 1.00 0.00 H new ATOM 0 HB THR A 13 18.023 -5.233 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.104 -7.357 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.314 -4.666 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.376 -5.013 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.159 -6.229 -2.176 1.00 0.00 H new ATOM 333 N GLY A 14 17.014 -8.348 0.931 1.00 0.00 N ATOM 334 CA GLY A 14 15.911 -8.621 1.821 1.00 0.00 C ATOM 335 C GLY A 14 14.734 -7.710 1.544 1.00 0.00 C ATOM 336 O GLY A 14 14.190 -7.697 0.438 1.00 0.00 O ATOM 0 H GLY A 14 17.074 -8.969 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.602 -9.660 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.236 -8.494 2.854 1.00 0.00 H new ATOM 340 N TRP A 15 14.355 -6.928 2.536 1.00 0.00 N ATOM 341 CA TRP A 15 13.227 -6.024 2.400 1.00 0.00 C ATOM 342 C TRP A 15 13.684 -4.588 2.639 1.00 0.00 C ATOM 343 O TRP A 15 14.713 -4.360 3.276 1.00 0.00 O ATOM 344 CB TRP A 15 12.125 -6.405 3.395 1.00 0.00 C ATOM 345 CG TRP A 15 12.430 -5.990 4.803 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.280 -6.595 5.685 1.00 0.00 C ATOM 347 CD2 TRP A 15 11.877 -4.866 5.485 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.291 -5.903 6.873 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.433 -4.836 6.775 1.00 0.00 C ATOM 350 CE3 TRP A 15 10.965 -3.883 5.120 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.102 -3.849 7.701 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.633 -2.909 6.032 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.197 -2.896 7.312 1.00 0.00 C ATOM 0 H TRP A 15 14.812 -6.900 3.447 1.00 0.00 H new ATOM 0 HA TRP A 15 12.825 -6.103 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.188 -5.945 3.083 1.00 0.00 H new ATOM 0 HB3 TRP A 15 11.975 -7.484 3.366 1.00 0.00 H new ATOM 0 HD1 TRP A 15 13.857 -7.484 5.480 1.00 0.00 H new ATOM 0 HE1 TRP A 15 13.847 -6.143 7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.523 -3.884 4.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.542 -3.835 8.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.925 -2.142 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.914 -2.120 8.007 1.00 0.00 H new ATOM 364 N GLN A 16 12.932 -3.632 2.121 1.00 0.00 N ATOM 365 CA GLN A 16 13.233 -2.223 2.334 1.00 0.00 C ATOM 366 C GLN A 16 11.995 -1.474 2.811 1.00 0.00 C ATOM 367 O GLN A 16 10.955 -1.505 2.152 1.00 0.00 O ATOM 368 CB GLN A 16 13.756 -1.590 1.044 1.00 0.00 C ATOM 369 CG GLN A 16 15.216 -1.898 0.751 1.00 0.00 C ATOM 370 CD GLN A 16 15.674 -1.315 -0.569 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.133 -0.316 -1.042 1.00 0.00 O ATOM 372 NE2 GLN A 16 16.702 -1.911 -1.154 1.00 0.00 N ATOM 0 H GLN A 16 12.106 -3.805 1.548 1.00 0.00 H new ATOM 0 HA GLN A 16 14.002 -2.153 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.148 -1.937 0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.628 -0.509 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.837 -1.502 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.361 -2.978 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.122 -2.738 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.074 -1.543 -2.030 1.00 0.00 H new ATOM 381 N PRO A 17 12.082 -0.811 3.977 1.00 0.00 N ATOM 382 CA PRO A 17 11.001 0.038 4.484 1.00 0.00 C ATOM 383 C PRO A 17 10.819 1.288 3.630 1.00 0.00 C ATOM 384 O PRO A 17 11.501 2.297 3.821 1.00 0.00 O ATOM 385 CB PRO A 17 11.470 0.418 5.887 1.00 0.00 C ATOM 386 CG PRO A 17 12.952 0.286 5.839 1.00 0.00 C ATOM 387 CD PRO A 17 13.223 -0.864 4.913 1.00 0.00 C ATOM 0 HA PRO A 17 10.037 -0.471 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.171 1.435 6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.038 -0.240 6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.416 1.202 5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.361 0.096 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.175 -0.750 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.263 -1.813 5.448 1.00 0.00 H new ATOM 395 N ARG A 18 9.902 1.221 2.684 1.00 0.00 N ATOM 396 CA ARG A 18 9.674 2.334 1.783 1.00 0.00 C ATOM 397 C ARG A 18 8.429 3.093 2.194 1.00 0.00 C ATOM 398 O ARG A 18 7.541 2.538 2.841 1.00 0.00 O ATOM 399 CB ARG A 18 9.572 1.845 0.337 1.00 0.00 C ATOM 400 CG ARG A 18 10.909 1.388 -0.228 1.00 0.00 C ATOM 401 CD ARG A 18 11.922 2.526 -0.238 1.00 0.00 C ATOM 402 NE ARG A 18 13.268 2.071 -0.595 1.00 0.00 N ATOM 403 CZ ARG A 18 14.321 2.881 -0.721 1.00 0.00 C ATOM 404 NH1 ARG A 18 14.199 4.181 -0.473 1.00 0.00 N ATOM 405 NH2 ARG A 18 15.502 2.389 -1.073 1.00 0.00 N ATOM 0 H ARG A 18 9.305 0.411 2.520 1.00 0.00 H new ATOM 0 HA ARG A 18 10.523 3.015 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.861 1.020 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.175 2.647 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.294 0.560 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.769 1.013 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.600 3.290 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.948 2.994 0.746 1.00 0.00 H new ATOM 0 HE ARG A 18 13.409 1.074 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.298 4.563 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.006 4.797 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.606 1.390 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.305 3.010 -1.169 1.00 0.00 H new ATOM 419 N TRP A 19 8.368 4.356 1.809 1.00 0.00 N ATOM 420 CA TRP A 19 7.326 5.248 2.285 1.00 0.00 C ATOM 421 C TRP A 19 6.163 5.285 1.302 1.00 0.00 C ATOM 422 O TRP A 19 6.345 5.571 0.118 1.00 0.00 O ATOM 423 CB TRP A 19 7.901 6.654 2.485 1.00 0.00 C ATOM 424 CG TRP A 19 6.986 7.585 3.219 1.00 0.00 C ATOM 425 CD1 TRP A 19 6.060 8.420 2.673 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.909 7.772 4.635 1.00 0.00 C ATOM 427 NE1 TRP A 19 5.420 9.125 3.661 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.920 8.742 4.875 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.583 7.216 5.724 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.586 9.165 6.159 1.00 0.00 C ATOM 431 CZ3 TRP A 19 7.251 7.635 6.998 1.00 0.00 C ATOM 432 CH2 TRP A 19 6.261 8.602 7.208 1.00 0.00 C ATOM 0 H TRP A 19 9.031 4.788 1.165 1.00 0.00 H new ATOM 0 HA TRP A 19 6.953 4.877 3.240 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.841 6.577 3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.134 7.083 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.858 8.514 1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.690 9.822 3.514 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.351 6.471 5.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.822 9.911 6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.765 7.209 7.847 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.026 8.909 8.216 1.00 0.00 H new ATOM 443 N PHE A 20 4.975 4.984 1.803 1.00 0.00 N ATOM 444 CA PHE A 20 3.772 4.974 0.990 1.00 0.00 C ATOM 445 C PHE A 20 2.756 5.944 1.571 1.00 0.00 C ATOM 446 O PHE A 20 2.718 6.163 2.782 1.00 0.00 O ATOM 447 CB PHE A 20 3.171 3.563 0.927 1.00 0.00 C ATOM 448 CG PHE A 20 4.039 2.547 0.230 1.00 0.00 C ATOM 449 CD1 PHE A 20 5.064 1.898 0.906 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.823 2.236 -1.101 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.852 0.962 0.265 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.607 1.298 -1.747 1.00 0.00 C ATOM 453 CZ PHE A 20 5.624 0.662 -1.062 1.00 0.00 C ATOM 0 H PHE A 20 4.819 4.741 2.781 1.00 0.00 H new ATOM 0 HA PHE A 20 4.032 5.282 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.974 3.219 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.210 3.613 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.247 2.128 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.031 2.733 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.646 0.465 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.425 1.063 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.240 -0.069 -1.565 1.00 0.00 H new ATOM 463 N VAL A 21 1.961 6.552 0.708 1.00 0.00 N ATOM 464 CA VAL A 21 0.901 7.447 1.148 1.00 0.00 C ATOM 465 C VAL A 21 -0.383 7.187 0.369 1.00 0.00 C ATOM 466 O VAL A 21 -0.352 6.981 -0.847 1.00 0.00 O ATOM 467 CB VAL A 21 1.282 8.947 1.019 1.00 0.00 C ATOM 468 CG1 VAL A 21 2.479 9.287 1.892 1.00 0.00 C ATOM 469 CG2 VAL A 21 1.549 9.327 -0.427 1.00 0.00 C ATOM 0 H VAL A 21 2.028 6.443 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 21 0.746 7.234 2.206 1.00 0.00 H new ATOM 0 HB VAL A 21 0.430 9.531 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.722 10.344 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.240 9.078 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.334 8.684 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.813 10.383 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.372 8.726 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.654 9.145 -1.022 1.00 0.00 H new ATOM 479 N LEU A 22 -1.503 7.168 1.068 1.00 0.00 N ATOM 480 CA LEU A 22 -2.793 7.079 0.414 1.00 0.00 C ATOM 481 C LEU A 22 -3.390 8.472 0.416 1.00 0.00 C ATOM 482 O LEU A 22 -3.576 9.069 1.477 1.00 0.00 O ATOM 483 CB LEU A 22 -3.716 6.087 1.149 1.00 0.00 C ATOM 484 CG LEU A 22 -4.985 5.627 0.394 1.00 0.00 C ATOM 485 CD1 LEU A 22 -5.993 6.755 0.237 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.630 5.047 -0.969 1.00 0.00 C ATOM 0 H LEU A 22 -1.544 7.213 2.086 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.681 6.709 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.132 5.202 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.026 6.544 2.089 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.448 4.847 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.869 6.388 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.294 7.114 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.540 7.572 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.540 4.731 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.124 5.805 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.971 4.189 -0.839 1.00 0.00 H new ATOM 498 N ASP A 23 -3.658 8.989 -0.769 1.00 0.00 N ATOM 499 CA ASP A 23 -4.153 10.349 -0.916 1.00 0.00 C ATOM 500 C ASP A 23 -5.132 10.446 -2.076 1.00 0.00 C ATOM 501 O ASP A 23 -4.745 10.331 -3.240 1.00 0.00 O ATOM 502 CB ASP A 23 -2.984 11.319 -1.129 1.00 0.00 C ATOM 503 CG ASP A 23 -3.436 12.744 -1.394 1.00 0.00 C ATOM 504 OD1 ASP A 23 -4.231 13.282 -0.595 1.00 0.00 O ATOM 505 OD2 ASP A 23 -2.992 13.336 -2.406 1.00 0.00 O ATOM 0 H ASP A 23 -3.541 8.486 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.678 10.622 -0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.342 11.305 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.380 10.973 -1.968 1.00 0.00 H new ATOM 510 N ASN A 24 -6.402 10.615 -1.735 1.00 0.00 N ATOM 511 CA ASN A 24 -7.459 10.854 -2.717 1.00 0.00 C ATOM 512 C ASN A 24 -7.525 9.729 -3.756 1.00 0.00 C ATOM 513 O ASN A 24 -7.334 9.952 -4.952 1.00 0.00 O ATOM 514 CB ASN A 24 -7.247 12.213 -3.405 1.00 0.00 C ATOM 515 CG ASN A 24 -8.414 12.620 -4.287 1.00 0.00 C ATOM 516 OD1 ASN A 24 -9.569 12.296 -4.004 1.00 0.00 O ATOM 517 ND2 ASN A 24 -8.120 13.341 -5.359 1.00 0.00 N ATOM 0 H ASN A 24 -6.732 10.591 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.412 10.870 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.089 12.978 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.340 12.171 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.863 13.649 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.150 13.588 -5.557 1.00 0.00 H new ATOM 524 N GLY A 25 -7.789 8.519 -3.283 1.00 0.00 N ATOM 525 CA GLY A 25 -7.942 7.378 -4.166 1.00 0.00 C ATOM 526 C GLY A 25 -6.637 6.867 -4.756 1.00 0.00 C ATOM 527 O GLY A 25 -6.620 5.825 -5.408 1.00 0.00 O ATOM 0 H GLY A 25 -7.901 8.305 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.420 6.568 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.614 7.650 -4.980 1.00 0.00 H new ATOM 531 N ILE A 26 -5.545 7.585 -4.551 1.00 0.00 N ATOM 532 CA ILE A 26 -4.268 7.184 -5.124 1.00 0.00 C ATOM 533 C ILE A 26 -3.291 6.748 -4.035 1.00 0.00 C ATOM 534 O ILE A 26 -3.128 7.430 -3.027 1.00 0.00 O ATOM 535 CB ILE A 26 -3.634 8.323 -5.958 1.00 0.00 C ATOM 536 CG1 ILE A 26 -4.611 8.809 -7.034 1.00 0.00 C ATOM 537 CG2 ILE A 26 -2.329 7.860 -6.592 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.106 7.715 -7.958 1.00 0.00 C ATOM 0 H ILE A 26 -5.515 8.441 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.469 6.340 -5.784 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.415 9.156 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.468 9.275 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.124 9.581 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.898 8.675 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.630 7.564 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.524 7.010 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.792 8.140 -8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.259 7.264 -8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.624 6.953 -7.375 1.00 0.00 H new ATOM 550 N LEU A 27 -2.648 5.607 -4.245 1.00 0.00 N ATOM 551 CA LEU A 27 -1.639 5.111 -3.323 1.00 0.00 C ATOM 552 C LEU A 27 -0.268 5.361 -3.941 1.00 0.00 C ATOM 553 O LEU A 27 0.097 4.741 -4.933 1.00 0.00 O ATOM 554 CB LEU A 27 -1.875 3.607 -3.052 1.00 0.00 C ATOM 555 CG LEU A 27 -1.138 2.991 -1.844 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.335 2.771 -2.140 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.303 3.868 -0.611 1.00 0.00 C ATOM 0 H LEU A 27 -2.810 5.005 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.697 5.629 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.945 3.451 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.586 3.052 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.588 2.018 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.821 2.336 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.439 2.094 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.805 3.725 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.776 3.417 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.889 4.857 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.362 3.960 -0.369 1.00 0.00 H new ATOM 569 N SER A 28 0.482 6.281 -3.370 1.00 0.00 N ATOM 570 CA SER A 28 1.749 6.683 -3.957 1.00 0.00 C ATOM 571 C SER A 28 2.922 6.172 -3.138 1.00 0.00 C ATOM 572 O SER A 28 2.839 6.063 -1.914 1.00 0.00 O ATOM 573 CB SER A 28 1.812 8.204 -4.078 1.00 0.00 C ATOM 574 OG SER A 28 0.747 8.688 -4.878 1.00 0.00 O ATOM 0 H SER A 28 0.240 6.764 -2.505 1.00 0.00 H new ATOM 0 HA SER A 28 1.816 6.242 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.763 8.655 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.765 8.500 -4.516 1.00 0.00 H new ATOM 0 HG SER A 28 0.804 9.664 -4.942 1.00 0.00 H new ATOM 580 N TYR A 29 4.010 5.859 -3.822 1.00 0.00 N ATOM 581 CA TYR A 29 5.212 5.370 -3.175 1.00 0.00 C ATOM 582 C TYR A 29 6.355 6.349 -3.403 1.00 0.00 C ATOM 583 O TYR A 29 6.505 6.894 -4.496 1.00 0.00 O ATOM 584 CB TYR A 29 5.581 3.976 -3.704 1.00 0.00 C ATOM 585 CG TYR A 29 5.696 3.883 -5.216 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.577 3.646 -6.008 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.925 4.029 -5.848 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.681 3.556 -7.382 1.00 0.00 C ATOM 589 CE2 TYR A 29 7.035 3.942 -7.223 1.00 0.00 C ATOM 590 CZ TYR A 29 5.910 3.707 -7.986 1.00 0.00 C ATOM 591 OH TYR A 29 6.017 3.621 -9.356 1.00 0.00 O ATOM 0 H TYR A 29 4.083 5.937 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 29 5.027 5.287 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.530 3.673 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.830 3.263 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.610 3.530 -5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.809 4.213 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.802 3.368 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.998 4.058 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 29 6.952 3.752 -9.620 1.00 0.00 H new ATOM 601 N TYR A 30 7.143 6.587 -2.368 1.00 0.00 N ATOM 602 CA TYR A 30 8.268 7.503 -2.459 1.00 0.00 C ATOM 603 C TYR A 30 9.534 6.828 -1.962 1.00 0.00 C ATOM 604 O TYR A 30 9.475 5.757 -1.348 1.00 0.00 O ATOM 605 CB TYR A 30 8.003 8.764 -1.635 1.00 0.00 C ATOM 606 CG TYR A 30 6.787 9.540 -2.079 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.521 9.207 -1.617 1.00 0.00 C ATOM 608 CD2 TYR A 30 6.905 10.615 -2.948 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.410 9.918 -2.014 1.00 0.00 C ATOM 610 CE2 TYR A 30 5.796 11.330 -3.349 1.00 0.00 C ATOM 611 CZ TYR A 30 4.552 10.979 -2.877 1.00 0.00 C ATOM 612 OH TYR A 30 3.446 11.693 -3.270 1.00 0.00 O ATOM 0 H TYR A 30 7.024 6.157 -1.451 1.00 0.00 H new ATOM 0 HA TYR A 30 8.396 7.785 -3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.881 8.484 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.877 9.413 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.405 8.377 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.881 10.896 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.431 9.643 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.903 12.161 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 30 3.719 12.410 -3.879 1.00 0.00 H new ATOM 622 N ASP A 31 10.675 7.447 -2.213 1.00 0.00 N ATOM 623 CA ASP A 31 11.942 6.895 -1.745 1.00 0.00 C ATOM 624 C ASP A 31 12.119 7.170 -0.254 1.00 0.00 C ATOM 625 O ASP A 31 12.593 6.314 0.497 1.00 0.00 O ATOM 626 CB ASP A 31 13.109 7.485 -2.541 1.00 0.00 C ATOM 627 CG ASP A 31 14.441 6.849 -2.183 1.00 0.00 C ATOM 628 OD1 ASP A 31 15.112 7.341 -1.255 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.831 5.861 -2.838 1.00 0.00 O ATOM 0 H ASP A 31 10.754 8.322 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 31 11.931 5.816 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.922 7.351 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.162 8.558 -2.359 1.00 0.00 H new ATOM 634 N SER A 32 11.687 8.351 0.173 1.00 0.00 N ATOM 635 CA SER A 32 11.759 8.743 1.572 1.00 0.00 C ATOM 636 C SER A 32 10.644 9.740 1.894 1.00 0.00 C ATOM 637 O SER A 32 9.850 10.081 1.017 1.00 0.00 O ATOM 638 CB SER A 32 13.131 9.350 1.876 1.00 0.00 C ATOM 639 OG SER A 32 13.420 10.415 0.987 1.00 0.00 O ATOM 0 H SER A 32 11.280 9.059 -0.438 1.00 0.00 H new ATOM 0 HA SER A 32 11.625 7.861 2.198 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.153 9.712 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.900 8.582 1.792 1.00 0.00 H new ATOM 0 HG SER A 32 14.300 10.789 1.200 1.00 0.00 H new ATOM 645 N GLN A 33 10.579 10.213 3.134 1.00 0.00 N ATOM 646 CA GLN A 33 9.532 11.156 3.527 1.00 0.00 C ATOM 647 C GLN A 33 9.738 12.507 2.841 1.00 0.00 C ATOM 648 O GLN A 33 8.780 13.159 2.424 1.00 0.00 O ATOM 649 CB GLN A 33 9.516 11.344 5.043 1.00 0.00 C ATOM 650 CG GLN A 33 8.280 12.080 5.539 1.00 0.00 C ATOM 651 CD GLN A 33 8.362 12.470 7.001 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.349 12.507 7.700 1.00 0.00 O ATOM 653 NE2 GLN A 33 9.560 12.783 7.468 1.00 0.00 N ATOM 0 H GLN A 33 11.230 9.964 3.879 1.00 0.00 H new ATOM 0 HA GLN A 33 8.573 10.743 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.568 10.368 5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.406 11.896 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.134 12.978 4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.404 11.449 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.374 12.739 6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.669 13.068 8.441 1.00 0.00 H new ATOM 662 N ASP A 34 10.996 12.912 2.710 1.00 0.00 N ATOM 663 CA ASP A 34 11.336 14.181 2.068 1.00 0.00 C ATOM 664 C ASP A 34 10.926 14.164 0.600 1.00 0.00 C ATOM 665 O ASP A 34 10.480 15.171 0.048 1.00 0.00 O ATOM 666 CB ASP A 34 12.838 14.449 2.197 1.00 0.00 C ATOM 667 CG ASP A 34 13.291 15.661 1.408 1.00 0.00 C ATOM 668 OD1 ASP A 34 13.110 16.798 1.892 1.00 0.00 O ATOM 669 OD2 ASP A 34 13.842 15.481 0.307 1.00 0.00 O ATOM 0 H ASP A 34 11.801 12.380 3.040 1.00 0.00 H new ATOM 0 HA ASP A 34 10.791 14.981 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.087 14.592 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.389 13.573 1.855 1.00 0.00 H new ATOM 674 N ASP A 35 11.046 12.992 -0.005 1.00 0.00 N ATOM 675 CA ASP A 35 10.712 12.795 -1.414 1.00 0.00 C ATOM 676 C ASP A 35 9.213 13.002 -1.648 1.00 0.00 C ATOM 677 O ASP A 35 8.776 13.315 -2.759 1.00 0.00 O ATOM 678 CB ASP A 35 11.149 11.391 -1.847 1.00 0.00 C ATOM 679 CG ASP A 35 10.923 11.119 -3.321 1.00 0.00 C ATOM 680 OD1 ASP A 35 11.365 11.935 -4.158 1.00 0.00 O ATOM 681 OD2 ASP A 35 10.317 10.074 -3.647 1.00 0.00 O ATOM 0 H ASP A 35 11.377 12.149 0.464 1.00 0.00 H new ATOM 0 HA ASP A 35 11.243 13.532 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.207 11.261 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.604 10.652 -1.261 1.00 0.00 H new ATOM 686 N VAL A 36 8.434 12.875 -0.577 1.00 0.00 N ATOM 687 CA VAL A 36 6.987 13.059 -0.644 1.00 0.00 C ATOM 688 C VAL A 36 6.637 14.495 -1.020 1.00 0.00 C ATOM 689 O VAL A 36 5.705 14.739 -1.792 1.00 0.00 O ATOM 690 CB VAL A 36 6.306 12.718 0.699 1.00 0.00 C ATOM 691 CG1 VAL A 36 4.805 12.979 0.639 1.00 0.00 C ATOM 692 CG2 VAL A 36 6.580 11.277 1.082 1.00 0.00 C ATOM 0 H VAL A 36 8.783 12.644 0.353 1.00 0.00 H new ATOM 0 HA VAL A 36 6.620 12.377 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 36 6.729 13.369 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.354 12.729 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.627 14.031 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.360 12.363 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.093 11.054 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.190 10.615 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.655 11.125 1.182 1.00 0.00 H new ATOM 782 N SER A 43 2.859 6.428 -9.249 1.00 0.00 N ATOM 783 CA SER A 43 1.873 6.204 -8.206 1.00 0.00 C ATOM 784 C SER A 43 0.987 5.020 -8.570 1.00 0.00 C ATOM 785 O SER A 43 0.962 4.587 -9.724 1.00 0.00 O ATOM 786 CB SER A 43 1.017 7.458 -8.002 1.00 0.00 C ATOM 787 OG SER A 43 1.794 8.549 -7.533 1.00 0.00 O ATOM 0 HA SER A 43 2.395 5.983 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.538 7.729 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.221 7.244 -7.289 1.00 0.00 H new ATOM 0 HG SER A 43 1.545 8.754 -6.608 1.00 0.00 H new ATOM 793 N ILE A 44 0.256 4.513 -7.591 1.00 0.00 N ATOM 794 CA ILE A 44 -0.619 3.376 -7.803 1.00 0.00 C ATOM 795 C ILE A 44 -2.073 3.805 -7.708 1.00 0.00 C ATOM 796 O ILE A 44 -2.524 4.329 -6.686 1.00 0.00 O ATOM 797 CB ILE A 44 -0.357 2.258 -6.775 1.00 0.00 C ATOM 798 CG1 ILE A 44 1.105 1.801 -6.838 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.299 1.087 -7.022 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.478 0.810 -5.757 1.00 0.00 C ATOM 0 H ILE A 44 0.253 4.875 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.410 2.988 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.547 2.650 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.294 1.351 -7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.753 2.674 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.105 0.303 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.331 1.424 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.136 0.694 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.526 0.532 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.321 1.263 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.855 -0.080 -5.849 1.00 0.00 H new ATOM 812 N LYS A 45 -2.794 3.588 -8.786 1.00 0.00 N ATOM 813 CA LYS A 45 -4.202 3.927 -8.858 1.00 0.00 C ATOM 814 C LYS A 45 -5.041 2.844 -8.195 1.00 0.00 C ATOM 815 O LYS A 45 -5.118 1.726 -8.693 1.00 0.00 O ATOM 816 CB LYS A 45 -4.601 4.093 -10.324 1.00 0.00 C ATOM 817 CG LYS A 45 -6.097 4.002 -10.585 1.00 0.00 C ATOM 818 CD LYS A 45 -6.394 4.171 -12.063 1.00 0.00 C ATOM 819 CE LYS A 45 -5.957 5.540 -12.539 1.00 0.00 C ATOM 820 NZ LYS A 45 -5.697 5.573 -14.002 1.00 0.00 N ATOM 0 H LYS A 45 -2.422 3.171 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.379 4.863 -8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.241 5.059 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.095 3.329 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.473 3.039 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.618 4.770 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.878 3.399 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.461 4.041 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.727 6.271 -12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.054 5.837 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.401 6.530 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.943 4.896 -14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.565 5.316 -14.515 1.00 0.00 H new ATOM 834 N MET A 46 -5.673 3.182 -7.076 1.00 0.00 N ATOM 835 CA MET A 46 -6.496 2.223 -6.346 1.00 0.00 C ATOM 836 C MET A 46 -7.668 1.750 -7.197 1.00 0.00 C ATOM 837 O MET A 46 -8.089 0.608 -7.094 1.00 0.00 O ATOM 838 CB MET A 46 -7.040 2.822 -5.049 1.00 0.00 C ATOM 839 CG MET A 46 -5.993 3.123 -3.985 1.00 0.00 C ATOM 840 SD MET A 46 -6.457 2.463 -2.382 1.00 0.00 S ATOM 841 CE MET A 46 -6.410 0.714 -2.753 1.00 0.00 C ATOM 0 H MET A 46 -5.632 4.110 -6.655 1.00 0.00 H new ATOM 0 HA MET A 46 -5.853 1.377 -6.105 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.568 3.745 -5.287 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.774 2.134 -4.629 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.035 2.700 -4.288 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.854 4.201 -3.907 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.990 0.173 -1.905 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.421 0.356 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.790 0.545 -3.633 1.00 0.00 H new ATOM 851 N ALA A 47 -8.189 2.635 -8.040 1.00 0.00 N ATOM 852 CA ALA A 47 -9.345 2.317 -8.877 1.00 0.00 C ATOM 853 C ALA A 47 -9.046 1.195 -9.873 1.00 0.00 C ATOM 854 O ALA A 47 -9.965 0.606 -10.442 1.00 0.00 O ATOM 855 CB ALA A 47 -9.828 3.558 -9.615 1.00 0.00 C ATOM 0 H ALA A 47 -7.829 3.581 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.134 1.964 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.689 3.302 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.114 4.322 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.027 3.939 -10.249 1.00 0.00 H new ATOM 861 N VAL A 48 -7.769 0.906 -10.090 1.00 0.00 N ATOM 862 CA VAL A 48 -7.375 -0.143 -11.020 1.00 0.00 C ATOM 863 C VAL A 48 -6.473 -1.166 -10.320 1.00 0.00 C ATOM 864 O VAL A 48 -6.151 -2.221 -10.870 1.00 0.00 O ATOM 865 CB VAL A 48 -6.661 0.459 -12.250 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.269 0.943 -11.891 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.608 -0.533 -13.393 1.00 0.00 C ATOM 0 H VAL A 48 -6.990 1.383 -9.635 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.274 -0.654 -11.364 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.243 1.320 -12.580 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.790 1.362 -12.776 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.338 1.709 -11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.677 0.106 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.100 -0.080 -14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.064 -1.423 -13.077 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.622 -0.810 -13.681 1.00 0.00 H new ATOM 877 N CYS A 49 -6.089 -0.846 -9.093 1.00 0.00 N ATOM 878 CA CYS A 49 -5.240 -1.713 -8.299 1.00 0.00 C ATOM 879 C CYS A 49 -5.980 -2.166 -7.055 1.00 0.00 C ATOM 880 O CYS A 49 -6.405 -1.348 -6.240 1.00 0.00 O ATOM 881 CB CYS A 49 -3.952 -0.996 -7.901 1.00 0.00 C ATOM 882 SG CYS A 49 -2.874 -1.963 -6.817 1.00 0.00 S ATOM 0 H CYS A 49 -6.357 0.019 -8.624 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.980 -2.583 -8.902 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.401 -0.734 -8.804 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.208 -0.062 -7.401 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.566 -2.900 -6.240 1.00 0.00 H new ATOM 888 N GLU A 50 -6.103 -3.466 -6.893 1.00 0.00 N ATOM 889 CA GLU A 50 -6.862 -4.013 -5.792 1.00 0.00 C ATOM 890 C GLU A 50 -5.974 -4.179 -4.568 1.00 0.00 C ATOM 891 O GLU A 50 -4.836 -4.639 -4.664 1.00 0.00 O ATOM 892 CB GLU A 50 -7.475 -5.362 -6.180 1.00 0.00 C ATOM 893 CG GLU A 50 -8.190 -5.341 -7.521 1.00 0.00 C ATOM 894 CD GLU A 50 -8.851 -6.660 -7.858 1.00 0.00 C ATOM 895 OE1 GLU A 50 -8.181 -7.713 -7.759 1.00 0.00 O ATOM 896 OE2 GLU A 50 -10.044 -6.647 -8.216 1.00 0.00 O ATOM 0 H GLU A 50 -5.687 -4.163 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.667 -3.319 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.687 -6.115 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.180 -5.668 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.944 -4.554 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.475 -5.088 -8.304 1.00 0.00 H new ATOM 903 N ILE A 51 -6.493 -3.770 -3.431 1.00 0.00 N ATOM 904 CA ILE A 51 -5.839 -3.998 -2.158 1.00 0.00 C ATOM 905 C ILE A 51 -6.484 -5.206 -1.505 1.00 0.00 C ATOM 906 O ILE A 51 -7.682 -5.209 -1.231 1.00 0.00 O ATOM 907 CB ILE A 51 -5.944 -2.757 -1.234 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.580 -3.086 0.224 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.342 -2.161 -1.300 1.00 0.00 C ATOM 910 CD1 ILE A 51 -4.119 -3.401 0.456 1.00 0.00 C ATOM 0 H ILE A 51 -7.379 -3.270 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.777 -4.179 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.222 -2.026 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.860 -2.241 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.177 -3.938 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.398 -1.291 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.561 -1.859 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.070 -2.905 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.957 -3.620 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.834 -4.266 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.511 -2.544 0.166 1.00 0.00 H new ATOM 922 N LYS A 52 -5.704 -6.240 -1.278 1.00 0.00 N ATOM 923 CA LYS A 52 -6.261 -7.491 -0.799 1.00 0.00 C ATOM 924 C LYS A 52 -6.412 -7.443 0.717 1.00 0.00 C ATOM 925 O LYS A 52 -5.427 -7.481 1.457 1.00 0.00 O ATOM 926 CB LYS A 52 -5.371 -8.664 -1.219 1.00 0.00 C ATOM 927 CG LYS A 52 -5.065 -8.713 -2.717 1.00 0.00 C ATOM 928 CD LYS A 52 -6.324 -8.778 -3.566 1.00 0.00 C ATOM 929 CE LYS A 52 -6.091 -9.528 -4.867 1.00 0.00 C ATOM 930 NZ LYS A 52 -5.494 -10.875 -4.663 1.00 0.00 N ATOM 0 H LYS A 52 -4.693 -6.243 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.246 -7.636 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.432 -8.608 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.856 -9.596 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.488 -7.831 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.442 -9.582 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.118 -9.268 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.666 -7.767 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.039 -9.633 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.434 -8.939 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.898 -11.542 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.464 -10.822 -4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.702 -11.204 -3.699 1.00 0.00 H new ATOM 944 N VAL A 53 -7.660 -7.357 1.168 1.00 0.00 N ATOM 945 CA VAL A 53 -7.962 -7.223 2.585 1.00 0.00 C ATOM 946 C VAL A 53 -9.073 -8.173 3.012 1.00 0.00 C ATOM 947 O VAL A 53 -10.219 -8.048 2.579 1.00 0.00 O ATOM 948 CB VAL A 53 -8.372 -5.774 2.952 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.817 -5.696 4.406 1.00 0.00 C ATOM 950 CG2 VAL A 53 -7.221 -4.811 2.699 1.00 0.00 C ATOM 0 H VAL A 53 -8.483 -7.378 0.565 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.046 -7.478 3.117 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.210 -5.485 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.101 -4.671 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.671 -6.355 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.998 -6.006 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.529 -3.799 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.364 -5.100 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.945 -4.843 1.645 1.00 0.00 H new ATOM 1025 N THR A 59 -0.299 -7.950 9.986 1.00 0.00 N ATOM 1026 CA THR A 59 0.453 -7.289 8.913 1.00 0.00 C ATOM 1027 C THR A 59 0.586 -8.134 7.641 1.00 0.00 C ATOM 1028 O THR A 59 1.608 -8.787 7.429 1.00 0.00 O ATOM 1029 CB THR A 59 1.862 -6.928 9.411 1.00 0.00 C ATOM 1030 OG1 THR A 59 2.492 -8.088 9.965 1.00 0.00 O ATOM 1031 CG2 THR A 59 1.793 -5.853 10.465 1.00 0.00 C ATOM 0 HA THR A 59 -0.117 -6.398 8.651 1.00 0.00 H new ATOM 0 HB THR A 59 2.442 -6.560 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.550 -8.787 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.800 -5.611 10.805 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.328 -4.961 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.201 -6.208 11.309 1.00 0.00 H new ATOM 1039 N ARG A 60 -0.441 -8.114 6.799 1.00 0.00 N ATOM 1040 CA ARG A 60 -0.397 -8.794 5.520 1.00 0.00 C ATOM 1041 C ARG A 60 -1.458 -8.258 4.550 1.00 0.00 C ATOM 1042 O ARG A 60 -2.660 -8.473 4.737 1.00 0.00 O ATOM 1043 CB ARG A 60 -0.534 -10.302 5.753 1.00 0.00 C ATOM 1044 CG ARG A 60 -1.580 -10.705 6.794 1.00 0.00 C ATOM 1045 CD ARG A 60 -2.928 -11.029 6.171 1.00 0.00 C ATOM 1046 NE ARG A 60 -2.842 -12.141 5.221 1.00 0.00 N ATOM 1047 CZ ARG A 60 -3.899 -12.821 4.773 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -5.110 -12.556 5.244 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -3.745 -13.781 3.872 1.00 0.00 N ATOM 0 H ARG A 60 -1.319 -7.629 6.986 1.00 0.00 H new ATOM 0 HA ARG A 60 0.564 -8.598 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.784 -10.779 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.434 -10.696 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.221 -11.573 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.701 -9.896 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.640 -11.279 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.313 -10.146 5.661 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.919 -12.412 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.235 -11.831 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.916 -13.077 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.815 -14.003 3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.557 -14.297 3.533 1.00 0.00 H new ATOM 1063 N MET A 61 -1.004 -7.495 3.550 1.00 0.00 N ATOM 1064 CA MET A 61 -1.874 -7.025 2.471 1.00 0.00 C ATOM 1065 C MET A 61 -1.140 -7.119 1.135 1.00 0.00 C ATOM 1066 O MET A 61 0.093 -7.115 1.091 1.00 0.00 O ATOM 1067 CB MET A 61 -2.333 -5.575 2.697 1.00 0.00 C ATOM 1068 CG MET A 61 -2.701 -5.263 4.130 1.00 0.00 C ATOM 1069 SD MET A 61 -1.299 -4.658 5.091 1.00 0.00 S ATOM 1070 CE MET A 61 -1.392 -2.903 4.744 1.00 0.00 C ATOM 0 H MET A 61 -0.034 -7.190 3.467 1.00 0.00 H new ATOM 0 HA MET A 61 -2.758 -7.663 2.460 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.538 -4.900 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.194 -5.374 2.059 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.495 -4.516 4.143 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.100 -6.161 4.602 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.761 -2.359 5.447 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.048 -2.714 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.424 -2.566 4.846 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.900 -7.202 0.055 1.00 0.00 N ATOM 1081 CA GLU A 62 -1.337 -7.324 -1.282 1.00 0.00 C ATOM 1082 C GLU A 62 -1.922 -6.261 -2.206 1.00 0.00 C ATOM 1083 O GLU A 62 -3.130 -6.023 -2.193 1.00 0.00 O ATOM 1084 CB GLU A 62 -1.623 -8.730 -1.822 1.00 0.00 C ATOM 1085 CG GLU A 62 -1.430 -8.885 -3.323 1.00 0.00 C ATOM 1086 CD GLU A 62 -1.759 -10.288 -3.809 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.848 -11.141 -3.828 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -2.933 -10.539 -4.165 1.00 0.00 O ATOM 0 H GLU A 62 -2.920 -7.187 0.079 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.259 -7.170 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.973 -9.440 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.649 -8.999 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.062 -8.166 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.398 -8.647 -3.580 1.00 0.00 H new ATOM 1095 N LEU A 63 -1.067 -5.602 -2.978 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.527 -4.638 -3.966 1.00 0.00 C ATOM 1097 C LEU A 63 -1.366 -5.231 -5.356 1.00 0.00 C ATOM 1098 O LEU A 63 -0.261 -5.586 -5.772 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.741 -3.322 -3.859 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.264 -2.298 -2.845 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.538 -1.630 -3.345 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.505 -2.942 -1.491 1.00 0.00 C ATOM 0 H LEU A 63 -0.054 -5.718 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.578 -4.417 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.291 -3.560 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.725 -2.852 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.497 -1.532 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.885 -0.909 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.335 -1.116 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.307 -2.386 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.875 -2.192 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.242 -3.739 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.571 -3.358 -1.115 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.465 -5.334 -6.074 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.446 -5.941 -7.390 1.00 0.00 C ATOM 1116 C ILE A 64 -3.031 -5.003 -8.448 1.00 0.00 C ATOM 1117 O ILE A 64 -4.205 -4.646 -8.406 1.00 0.00 O ATOM 1118 CB ILE A 64 -3.195 -7.301 -7.379 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.511 -7.782 -8.802 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -4.460 -7.220 -6.537 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.281 -8.048 -9.645 1.00 0.00 C ATOM 0 H ILE A 64 -3.382 -5.006 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.405 -6.126 -7.655 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.532 -8.037 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.104 -8.695 -8.744 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.126 -7.033 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.966 -8.186 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.199 -6.957 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.123 -6.459 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.585 -8.384 -10.636 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.697 -7.132 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.675 -8.819 -9.170 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.184 -4.610 -9.391 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.573 -3.756 -10.495 1.00 0.00 C ATOM 1135 C ILE A 65 -2.099 -4.397 -11.806 1.00 0.00 C ATOM 1136 O ILE A 65 -0.903 -4.599 -12.000 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.985 -2.321 -10.321 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.792 -1.616 -11.664 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.664 -2.362 -9.566 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.060 -1.405 -12.456 1.00 0.00 C ATOM 0 H ILE A 65 -1.200 -4.880 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.658 -3.656 -10.517 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.710 -1.751 -9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.326 -0.647 -11.486 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.096 -2.199 -12.268 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.275 -1.349 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.822 -2.797 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.053 -2.969 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.824 -0.899 -13.392 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.519 -2.370 -12.671 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.753 -0.794 -11.877 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.037 -4.757 -12.698 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.723 -5.443 -13.964 1.00 0.00 C ATOM 1154 C PRO A 66 -1.675 -4.708 -14.800 1.00 0.00 C ATOM 1155 O PRO A 66 -1.871 -3.559 -15.198 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.066 -5.467 -14.694 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.082 -5.406 -13.608 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.486 -4.525 -12.547 1.00 0.00 C ATOM 0 HA PRO A 66 -2.293 -6.429 -13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.162 -4.622 -15.376 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.177 -6.372 -15.291 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.023 -4.997 -13.974 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.298 -6.400 -13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.745 -3.477 -12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.837 -4.798 -11.552 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.562 -5.378 -15.057 1.00 0.00 N ATOM 1167 CA GLY A 67 0.509 -4.777 -15.824 1.00 0.00 C ATOM 1168 C GLY A 67 1.655 -4.327 -14.946 1.00 0.00 C ATOM 1169 O GLY A 67 2.821 -4.598 -15.239 1.00 0.00 O ATOM 0 H GLY A 67 -0.381 -6.332 -14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.875 -5.495 -16.558 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.121 -3.923 -16.379 1.00 0.00 H new ATOM 1173 N GLU A 68 1.321 -3.650 -13.862 1.00 0.00 N ATOM 1174 CA GLU A 68 2.323 -3.176 -12.920 1.00 0.00 C ATOM 1175 C GLU A 68 2.530 -4.222 -11.828 1.00 0.00 C ATOM 1176 O GLU A 68 3.489 -4.998 -11.888 1.00 0.00 O ATOM 1177 CB GLU A 68 1.896 -1.826 -12.324 1.00 0.00 C ATOM 1178 CG GLU A 68 1.511 -0.802 -13.384 1.00 0.00 C ATOM 1179 CD GLU A 68 1.194 0.572 -12.816 1.00 0.00 C ATOM 1180 OE1 GLU A 68 0.027 0.821 -12.449 1.00 0.00 O ATOM 1181 OE2 GLU A 68 2.106 1.424 -12.772 1.00 0.00 O ATOM 0 H GLU A 68 0.361 -3.415 -13.610 1.00 0.00 H new ATOM 0 HA GLU A 68 3.269 -3.025 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.051 -1.982 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.712 -1.427 -11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.326 -0.710 -14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.643 -1.168 -13.933 1.00 0.00 H new ATOM 1188 N GLN A 69 1.595 -4.250 -10.872 1.00 0.00 N ATOM 1189 CA GLN A 69 1.543 -5.237 -9.779 1.00 0.00 C ATOM 1190 C GLN A 69 2.916 -5.510 -9.156 1.00 0.00 C ATOM 1191 O GLN A 69 3.803 -4.656 -9.197 1.00 0.00 O ATOM 1192 CB GLN A 69 0.866 -6.540 -10.253 1.00 0.00 C ATOM 1193 CG GLN A 69 1.602 -7.296 -11.352 1.00 0.00 C ATOM 1194 CD GLN A 69 0.852 -8.535 -11.807 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.038 -8.482 -12.729 1.00 0.00 O ATOM 1196 NE2 GLN A 69 1.120 -9.660 -11.159 1.00 0.00 N ATOM 0 H GLN A 69 0.834 -3.572 -10.833 1.00 0.00 H new ATOM 0 HA GLN A 69 0.935 -4.801 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.750 -7.202 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.136 -6.300 -10.609 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.755 -6.634 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.589 -7.585 -10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.802 -9.662 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.645 -10.524 -11.419 1.00 0.00 H new ATOM 1205 N HIS A 70 3.056 -6.682 -8.528 1.00 0.00 N ATOM 1206 CA HIS A 70 4.316 -7.095 -7.905 1.00 0.00 C ATOM 1207 C HIS A 70 4.563 -6.275 -6.637 1.00 0.00 C ATOM 1208 O HIS A 70 5.701 -6.064 -6.218 1.00 0.00 O ATOM 1209 CB HIS A 70 5.478 -6.940 -8.904 1.00 0.00 C ATOM 1210 CG HIS A 70 6.715 -7.724 -8.572 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.016 -8.926 -9.168 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.742 -7.459 -7.730 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.168 -9.368 -8.705 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.636 -8.497 -7.832 1.00 0.00 N ATOM 0 H HIS A 70 2.305 -7.366 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 70 4.252 -8.146 -7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.130 -7.242 -9.892 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.742 -5.885 -8.968 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.840 -6.591 -7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.649 -10.291 -8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.514 -8.580 -7.319 1.00 0.00 H new ATOM 1223 N PHE A 71 3.479 -5.823 -6.018 1.00 0.00 N ATOM 1224 CA PHE A 71 3.577 -5.003 -4.822 1.00 0.00 C ATOM 1225 C PHE A 71 3.050 -5.743 -3.602 1.00 0.00 C ATOM 1226 O PHE A 71 1.853 -6.005 -3.484 1.00 0.00 O ATOM 1227 CB PHE A 71 2.808 -3.687 -4.992 1.00 0.00 C ATOM 1228 CG PHE A 71 3.424 -2.736 -5.978 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.639 -2.126 -5.708 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.787 -2.449 -7.174 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.207 -1.249 -6.611 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.350 -1.573 -8.083 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.562 -0.972 -7.801 1.00 0.00 C ATOM 0 H PHE A 71 2.525 -6.011 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 71 4.633 -4.781 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.790 -3.913 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.738 -3.193 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.148 -2.339 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.839 -2.915 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.154 -0.780 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.843 -1.359 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.004 -0.287 -8.509 1.00 0.00 H new ATOM 1243 N TYR A 72 3.952 -6.075 -2.697 1.00 0.00 N ATOM 1244 CA TYR A 72 3.568 -6.612 -1.407 1.00 0.00 C ATOM 1245 C TYR A 72 3.848 -5.565 -0.345 1.00 0.00 C ATOM 1246 O TYR A 72 4.901 -4.928 -0.359 1.00 0.00 O ATOM 1247 CB TYR A 72 4.332 -7.902 -1.090 1.00 0.00 C ATOM 1248 CG TYR A 72 3.945 -8.517 0.240 1.00 0.00 C ATOM 1249 CD1 TYR A 72 2.786 -9.273 0.370 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.733 -8.327 1.368 1.00 0.00 C ATOM 1251 CE1 TYR A 72 2.425 -9.822 1.587 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.378 -8.870 2.588 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.224 -9.616 2.694 1.00 0.00 C ATOM 1254 OH TYR A 72 2.865 -10.154 3.911 1.00 0.00 O ATOM 0 H TYR A 72 4.959 -5.981 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 72 2.506 -6.857 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.152 -8.627 -1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.401 -7.691 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.157 -9.434 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.639 -7.745 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.522 -10.409 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.002 -8.711 3.455 1.00 0.00 H new ATOM 0 HH TYR A 72 3.536 -9.916 4.585 1.00 0.00 H new ATOM 1264 N MET A 73 2.902 -5.373 0.556 1.00 0.00 N ATOM 1265 CA MET A 73 3.050 -4.374 1.600 1.00 0.00 C ATOM 1266 C MET A 73 2.812 -4.999 2.968 1.00 0.00 C ATOM 1267 O MET A 73 1.884 -5.792 3.156 1.00 0.00 O ATOM 1268 CB MET A 73 2.090 -3.202 1.339 1.00 0.00 C ATOM 1269 CG MET A 73 2.469 -2.387 0.105 1.00 0.00 C ATOM 1270 SD MET A 73 1.165 -1.273 -0.469 1.00 0.00 S ATOM 1271 CE MET A 73 1.173 0.006 0.783 1.00 0.00 C ATOM 0 H MET A 73 2.025 -5.894 0.587 1.00 0.00 H new ATOM 0 HA MET A 73 4.069 -3.986 1.589 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.078 -3.588 1.216 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.078 -2.548 2.211 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.361 -1.801 0.329 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.731 -3.070 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.576 0.852 0.443 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.751 -0.388 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.197 0.334 0.962 1.00 0.00 H new ATOM 1281 N LYS A 74 3.665 -4.650 3.918 1.00 0.00 N ATOM 1282 CA LYS A 74 3.575 -5.202 5.255 1.00 0.00 C ATOM 1283 C LYS A 74 3.822 -4.092 6.260 1.00 0.00 C ATOM 1284 O LYS A 74 4.831 -3.400 6.184 1.00 0.00 O ATOM 1285 CB LYS A 74 4.607 -6.322 5.413 1.00 0.00 C ATOM 1286 CG LYS A 74 4.394 -7.232 6.609 1.00 0.00 C ATOM 1287 CD LYS A 74 5.410 -8.360 6.594 1.00 0.00 C ATOM 1288 CE LYS A 74 5.144 -9.390 7.676 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.070 -10.549 7.559 1.00 0.00 N ATOM 0 H LYS A 74 4.428 -3.986 3.785 1.00 0.00 H new ATOM 0 HA LYS A 74 2.584 -5.622 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.601 -6.930 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.598 -5.874 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.488 -6.660 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.384 -7.642 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.393 -8.848 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.410 -7.947 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.258 -8.928 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.113 -9.737 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.863 -11.236 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.943 -11.003 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.052 -10.219 7.651 1.00 0.00 H new ATOM 1303 N ALA A 75 2.875 -3.889 7.157 1.00 0.00 N ATOM 1304 CA ALA A 75 2.979 -2.828 8.143 1.00 0.00 C ATOM 1305 C ALA A 75 3.880 -3.236 9.298 1.00 0.00 C ATOM 1306 O ALA A 75 4.382 -4.359 9.331 1.00 0.00 O ATOM 1307 CB ALA A 75 1.599 -2.457 8.650 1.00 0.00 C ATOM 0 H ALA A 75 2.023 -4.446 7.224 1.00 0.00 H new ATOM 0 HA ALA A 75 3.428 -1.958 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.685 -1.661 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.985 -2.114 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.133 -3.329 9.109 1.00 0.00 H new ATOM 1313 N VAL A 76 4.083 -2.322 10.237 1.00 0.00 N ATOM 1314 CA VAL A 76 4.909 -2.595 11.408 1.00 0.00 C ATOM 1315 C VAL A 76 4.262 -3.665 12.284 1.00 0.00 C ATOM 1316 O VAL A 76 4.841 -4.724 12.527 1.00 0.00 O ATOM 1317 CB VAL A 76 5.130 -1.319 12.244 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.074 -1.589 13.401 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.667 -0.196 11.375 1.00 0.00 C ATOM 0 H VAL A 76 3.687 -1.383 10.212 1.00 0.00 H new ATOM 0 HA VAL A 76 5.874 -2.953 11.051 1.00 0.00 H new ATOM 0 HB VAL A 76 4.167 -1.011 12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.215 -0.674 13.977 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.650 -2.361 14.044 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.036 -1.926 13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.816 0.696 11.984 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.618 -0.499 10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.953 0.022 10.581 1.00 0.00 H new ATOM 1329 N ASN A 77 3.051 -3.385 12.745 1.00 0.00 N ATOM 1330 CA ASN A 77 2.299 -4.344 13.546 1.00 0.00 C ATOM 1331 C ASN A 77 0.848 -4.368 13.087 1.00 0.00 C ATOM 1332 O ASN A 77 0.447 -3.527 12.280 1.00 0.00 O ATOM 1333 CB ASN A 77 2.381 -4.021 15.043 1.00 0.00 C ATOM 1334 CG ASN A 77 1.815 -2.657 15.386 1.00 0.00 C ATOM 1335 OD1 ASN A 77 0.611 -2.502 15.551 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.682 -1.673 15.538 1.00 0.00 N ATOM 0 H ASN A 77 2.567 -2.502 12.579 1.00 0.00 H new ATOM 0 HA ASN A 77 2.743 -5.329 13.401 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.841 -4.784 15.604 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.422 -4.067 15.363 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.357 -0.743 15.802 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.677 -1.843 15.391 1.00 0.00 H new ATOM 1343 N ALA A 78 0.078 -5.337 13.577 1.00 0.00 N ATOM 1344 CA ALA A 78 -1.312 -5.529 13.141 1.00 0.00 C ATOM 1345 C ALA A 78 -2.106 -4.221 13.193 1.00 0.00 C ATOM 1346 O ALA A 78 -2.831 -3.899 12.256 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.990 -6.594 13.990 1.00 0.00 C ATOM 0 H ALA A 78 0.391 -6.007 14.280 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.291 -5.862 12.103 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.019 -6.725 13.655 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.452 -7.537 13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.985 -6.284 15.035 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.928 -3.450 14.265 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.622 -2.173 14.422 1.00 0.00 C ATOM 1355 C ALA A 79 -2.283 -1.208 13.292 1.00 0.00 C ATOM 1356 O ALA A 79 -3.164 -0.561 12.726 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.257 -1.547 15.748 1.00 0.00 C ATOM 0 H ALA A 79 -1.308 -3.688 15.039 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.693 -2.371 14.389 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.778 -0.596 15.857 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.548 -2.215 16.558 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.181 -1.377 15.786 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.999 -1.122 12.976 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.521 -0.298 11.873 1.00 0.00 C ATOM 1365 C GLU A 80 -1.113 -0.776 10.554 1.00 0.00 C ATOM 1366 O GLU A 80 -1.488 0.016 9.688 1.00 0.00 O ATOM 1367 CB GLU A 80 1.005 -0.353 11.818 1.00 0.00 C ATOM 1368 CG GLU A 80 1.676 0.558 12.829 1.00 0.00 C ATOM 1369 CD GLU A 80 1.487 2.021 12.484 1.00 0.00 C ATOM 1370 OE1 GLU A 80 2.282 2.552 11.680 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.537 2.636 13.003 1.00 0.00 O ATOM 0 H GLU A 80 -0.261 -1.619 13.474 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.838 0.732 12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.331 -1.379 11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.336 -0.078 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.267 0.363 13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.741 0.330 12.873 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.202 -2.087 10.427 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.783 -2.715 9.254 1.00 0.00 C ATOM 1380 C ARG A 81 -3.263 -2.348 9.142 1.00 0.00 C ATOM 1381 O ARG A 81 -3.760 -2.071 8.052 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.566 -4.230 9.352 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.015 -5.024 8.143 1.00 0.00 C ATOM 1384 CD ARG A 81 -3.492 -5.356 8.199 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.855 -6.359 7.203 1.00 0.00 N ATOM 1386 CZ ARG A 81 -4.813 -7.255 7.387 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -5.549 -7.215 8.492 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -5.049 -8.178 6.465 1.00 0.00 N ATOM 0 H ARG A 81 -0.874 -2.746 11.133 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.298 -2.356 8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.505 -4.419 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.097 -4.601 10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.805 -4.455 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.438 -5.947 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.746 -5.722 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.076 -4.450 8.034 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.345 -6.371 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.375 -6.496 9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.288 -7.903 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.492 -8.200 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.787 -8.866 6.610 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.949 -2.326 10.280 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.354 -1.925 10.340 1.00 0.00 C ATOM 1404 C GLN A 82 -5.529 -0.479 9.872 1.00 0.00 C ATOM 1405 O GLN A 82 -6.533 -0.142 9.247 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.883 -2.087 11.772 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.319 -1.610 11.973 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.340 -2.463 11.247 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.862 -3.433 11.797 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.644 -2.100 10.011 1.00 0.00 N ATOM 0 H GLN A 82 -3.551 -2.584 11.183 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.926 -2.569 9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.820 -3.138 12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.232 -1.536 12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.548 -1.609 13.039 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.404 -0.580 11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.189 -1.290 9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.333 -2.631 9.479 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.548 0.367 10.166 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.599 1.770 9.755 1.00 0.00 C ATOM 1421 C ARG A 83 -4.572 1.896 8.231 1.00 0.00 C ATOM 1422 O ARG A 83 -5.356 2.652 7.645 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.440 2.549 10.383 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.613 2.787 11.873 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.443 3.554 12.464 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.785 4.146 13.758 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.902 4.651 14.618 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.600 4.453 14.448 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.328 5.312 15.687 1.00 0.00 N ATOM 0 H ARG A 83 -3.709 0.109 10.686 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.537 2.197 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.511 2.003 10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.341 3.510 9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.535 3.341 12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.715 1.830 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.591 2.884 12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.136 4.340 11.774 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.770 4.174 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.266 3.909 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.067 4.845 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.328 5.432 15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.655 5.700 16.348 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.695 1.129 7.591 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.644 1.084 6.132 1.00 0.00 C ATOM 1445 C TRP A 84 -4.930 0.494 5.584 1.00 0.00 C ATOM 1446 O TRP A 84 -5.428 0.913 4.546 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.440 0.270 5.653 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.153 0.998 5.844 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.241 0.815 6.839 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.646 2.045 5.018 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.792 1.708 6.698 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.568 2.469 5.583 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.109 2.669 3.857 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.325 3.490 5.026 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.353 3.680 3.303 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.851 4.082 3.888 1.00 0.00 C ATOM 0 H TRP A 84 -3.012 0.532 8.057 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.534 2.103 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.404 -0.675 6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.565 0.028 4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.319 0.076 7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.595 1.791 7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.041 2.365 3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.255 3.806 5.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.696 4.169 2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.420 4.878 3.431 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.463 -0.468 6.313 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.722 -1.105 5.967 1.00 0.00 C ATOM 1469 C LEU A 85 -7.878 -0.117 5.990 1.00 0.00 C ATOM 1470 O LEU A 85 -8.833 -0.258 5.235 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.997 -2.268 6.906 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.793 -3.640 6.294 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -5.388 -3.759 5.717 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -7.053 -4.700 7.346 1.00 0.00 C ATOM 0 H LEU A 85 -5.035 -0.832 7.164 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.635 -1.483 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.349 -2.174 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.024 -2.194 7.263 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.496 -3.786 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.256 -4.749 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.246 -3.002 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.655 -3.611 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.907 -5.688 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.361 -4.565 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.077 -4.610 7.708 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.806 0.862 6.874 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.829 1.888 6.940 1.00 0.00 C ATOM 1488 C VAL A 86 -8.871 2.690 5.642 1.00 0.00 C ATOM 1489 O VAL A 86 -9.934 2.849 5.043 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.577 2.840 8.124 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.501 4.050 8.058 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.762 2.103 9.439 1.00 0.00 C ATOM 0 H VAL A 86 -7.053 0.968 7.553 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.788 1.391 7.085 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.549 3.197 8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.302 4.706 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.324 4.593 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.539 3.718 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.581 2.787 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.780 1.719 9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.058 1.273 9.493 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.711 3.179 5.207 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.635 3.975 3.983 1.00 0.00 C ATOM 1504 C ALA A 87 -7.801 3.116 2.724 1.00 0.00 C ATOM 1505 O ALA A 87 -8.596 3.432 1.845 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.313 4.732 3.931 1.00 0.00 C ATOM 0 H ALA A 87 -6.818 3.040 5.679 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.461 4.686 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.267 5.321 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.239 5.395 4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.486 4.022 3.947 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.044 2.030 2.649 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.044 1.161 1.474 1.00 0.00 C ATOM 1514 C LEU A 88 -8.320 0.321 1.382 1.00 0.00 C ATOM 1515 O LEU A 88 -8.877 0.127 0.300 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.813 0.254 1.509 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.468 0.983 1.427 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.349 0.100 1.957 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.179 1.401 -0.007 1.00 0.00 C ATOM 0 H LEU A 88 -6.416 1.726 3.393 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.011 1.794 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.837 -0.330 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.877 -0.452 0.681 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.523 1.878 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.401 0.635 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.549 -0.156 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.293 -0.812 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.220 1.918 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.143 0.517 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.966 2.068 -0.357 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.776 -0.169 2.528 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.900 -1.091 2.571 1.00 0.00 C ATOM 1533 C GLY A 89 -11.194 -0.489 2.067 1.00 0.00 C ATOM 1534 O GLY A 89 -11.999 -1.184 1.441 1.00 0.00 O ATOM 0 H GLY A 89 -8.383 0.058 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.661 -1.971 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.042 -1.431 3.597 1.00 0.00 H new ATOM 1538 N SER A 90 -11.401 0.795 2.337 1.00 0.00 N ATOM 1539 CA SER A 90 -12.590 1.490 1.875 1.00 0.00 C ATOM 1540 C SER A 90 -12.610 1.567 0.354 1.00 0.00 C ATOM 1541 O SER A 90 -13.671 1.521 -0.268 1.00 0.00 O ATOM 1542 CB SER A 90 -12.632 2.887 2.483 1.00 0.00 C ATOM 1543 OG SER A 90 -11.404 3.561 2.285 1.00 0.00 O ATOM 0 H SER A 90 -10.757 1.374 2.875 1.00 0.00 H new ATOM 0 HA SER A 90 -13.472 0.936 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.443 3.460 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.845 2.817 3.550 1.00 0.00 H new ATOM 0 HG SER A 90 -10.830 3.433 3.069 1.00 0.00 H new ATOM 1549 N SER A 91 -11.427 1.670 -0.233 1.00 0.00 N ATOM 1550 CA SER A 91 -11.291 1.694 -1.675 1.00 0.00 C ATOM 1551 C SER A 91 -11.644 0.326 -2.255 1.00 0.00 C ATOM 1552 O SER A 91 -12.350 0.235 -3.254 1.00 0.00 O ATOM 1553 CB SER A 91 -9.865 2.091 -2.061 1.00 0.00 C ATOM 1554 OG SER A 91 -9.766 2.371 -3.445 1.00 0.00 O ATOM 0 H SER A 91 -10.545 1.738 0.274 1.00 0.00 H new ATOM 0 HA SER A 91 -11.978 2.433 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.561 2.967 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.178 1.286 -1.801 1.00 0.00 H new ATOM 0 HG SER A 91 -9.321 3.235 -3.573 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.158 -0.730 -1.601 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.420 -2.099 -1.995 1.00 0.00 C ATOM 1562 C LYS A 92 -12.910 -2.404 -2.077 1.00 0.00 C ATOM 1563 O LYS A 92 -13.360 -3.140 -2.956 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.815 -3.014 -0.952 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.692 -4.432 -1.421 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.743 -5.436 -0.271 1.00 0.00 C ATOM 1567 CE LYS A 92 -12.145 -5.553 0.327 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.462 -4.451 1.278 1.00 0.00 N ATOM 0 H LYS A 92 -10.566 -0.649 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.987 -2.252 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.829 -2.641 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.429 -2.986 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.496 -4.649 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.753 -4.552 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.419 -6.413 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.042 -5.132 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.879 -5.554 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.236 -6.509 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.028 -4.825 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.578 -4.047 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.001 -3.711 0.785 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.656 -1.855 -1.131 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.062 -2.174 -0.974 1.00 0.00 C ATOM 1584 C ALA A 93 -15.867 -1.822 -2.224 1.00 0.00 C ATOM 1585 O ALA A 93 -15.944 -0.659 -2.622 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.599 -1.472 0.260 1.00 0.00 C ATOM 0 H ALA A 93 -13.303 -1.179 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.167 -3.251 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.656 -1.709 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.048 -1.808 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.479 -0.395 0.147 1.00 0.00 H new