USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=24 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 59 THR OG1 : rot 180:sc= 0.283 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.819) USER MOD Set 2.1: A 46 MET CE :methyl -173:sc= -0.962 (180deg=-0.978) USER MOD Set 2.2: A 91 SER OG : rot 130:sc= 0 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 SER OG : rot 26:sc= 0.129 USER MOD Set 4.1: A 9 THR OG1 : rot 105:sc= 1.33 USER MOD Set 4.2: A 13 THR OG1 : rot 22:sc= 1.05 USER MOD Single : A 0 PHE N :NH3+ -107:sc= 0.0118 (180deg=0) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.55 (180deg=-0.946) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= 1.25 (180deg=-0.127) USER MOD Single : A 10 ASN : amide:sc= 0.22 K(o=0.22,f=-5.3!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.785 K(o=-0.78,f=-5.7!) USER MOD Single : A 24 ASN : amide:sc= 0.0562 X(o=0.056,f=0) 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 77:sc= 1.01 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= -0.484 USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= 0.528 (180deg=0.201) USER MOD Single : A 61 MET CE :methyl 166:sc= -0.212 (180deg=-0.695) USER MOD Single : A 69 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -130:sc= -0.285 (180deg=-2.97) USER MOD Single : A 77 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.6!) USER MOD Single : A 82 GLN : amide:sc= -0.157 K(o=-0.16,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -127:sc= 0.821 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.901 9.454 3.786 1.00 0.00 N ATOM 91 CA PHE A 0 -6.467 9.676 3.749 1.00 0.00 C ATOM 92 C PHE A 0 -5.757 8.771 4.750 1.00 0.00 C ATOM 93 O PHE A 0 -6.237 8.563 5.864 1.00 0.00 O ATOM 94 CB PHE A 0 -6.152 11.149 4.039 1.00 0.00 C ATOM 95 CG PHE A 0 -4.681 11.467 4.019 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.984 11.518 2.822 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.994 11.707 5.199 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.632 11.802 2.803 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.641 11.991 5.186 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.960 12.039 3.987 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.194 8.938 2.932 1.00 0.00 H new ATOM 0 H2 PHE A 0 -8.144 8.896 4.629 1.00 0.00 H new ATOM 0 H3 PHE A 0 -8.393 10.369 3.823 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.104 9.431 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.660 11.772 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.559 11.413 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.504 11.334 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.522 11.672 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.101 11.839 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -2.118 12.175 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.903 12.261 3.974 1.00 0.00 H new ATOM 110 N MET A 1 -4.624 8.226 4.336 1.00 0.00 N ATOM 111 CA MET A 1 -3.807 7.387 5.199 1.00 0.00 C ATOM 112 C MET A 1 -2.331 7.697 4.981 1.00 0.00 C ATOM 113 O MET A 1 -1.916 7.973 3.856 1.00 0.00 O ATOM 114 CB MET A 1 -4.091 5.911 4.915 1.00 0.00 C ATOM 115 CG MET A 1 -3.253 4.952 5.739 1.00 0.00 C ATOM 116 SD MET A 1 -3.483 5.169 7.513 1.00 0.00 S ATOM 117 CE MET A 1 -2.339 3.940 8.135 1.00 0.00 C ATOM 0 H MET A 1 -4.246 8.352 3.397 1.00 0.00 H new ATOM 0 HA MET A 1 -4.057 7.595 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.146 5.711 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.915 5.715 3.857 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.508 3.928 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.200 5.094 5.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.265 4.027 9.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.698 2.944 7.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.357 4.099 7.691 1.00 0.00 H new ATOM 127 N GLU A 2 -1.550 7.652 6.053 1.00 0.00 N ATOM 128 CA GLU A 2 -0.129 7.967 5.987 1.00 0.00 C ATOM 129 C GLU A 2 0.678 6.945 6.780 1.00 0.00 C ATOM 130 O GLU A 2 0.164 6.323 7.712 1.00 0.00 O ATOM 131 CB GLU A 2 0.124 9.374 6.537 1.00 0.00 C ATOM 132 CG GLU A 2 -0.335 9.541 7.980 1.00 0.00 C ATOM 133 CD GLU A 2 -0.056 10.918 8.546 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.035 11.120 9.115 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.942 11.794 8.455 1.00 0.00 O ATOM 0 H GLU A 2 -1.880 7.399 6.984 1.00 0.00 H new ATOM 0 HA GLU A 2 0.188 7.931 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.189 9.597 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.393 10.101 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.405 9.343 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.161 8.794 8.600 1.00 0.00 H new ATOM 142 N GLY A 3 1.933 6.762 6.397 1.00 0.00 N ATOM 143 CA GLY A 3 2.811 5.867 7.122 1.00 0.00 C ATOM 144 C GLY A 3 3.767 5.149 6.197 1.00 0.00 C ATOM 145 O GLY A 3 3.940 5.554 5.046 1.00 0.00 O ATOM 0 H GLY A 3 2.361 7.220 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.377 6.433 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.215 5.136 7.668 1.00 0.00 H new ATOM 149 N VAL A 4 4.392 4.083 6.685 1.00 0.00 N ATOM 150 CA VAL A 4 5.321 3.317 5.868 1.00 0.00 C ATOM 151 C VAL A 4 4.906 1.849 5.822 1.00 0.00 C ATOM 152 O VAL A 4 4.138 1.381 6.666 1.00 0.00 O ATOM 153 CB VAL A 4 6.787 3.413 6.373 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.100 4.797 6.910 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.092 2.342 7.407 1.00 0.00 C ATOM 0 H VAL A 4 4.272 3.733 7.636 1.00 0.00 H new ATOM 0 HA VAL A 4 5.282 3.753 4.870 1.00 0.00 H new ATOM 0 HB VAL A 4 7.436 3.237 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.134 4.828 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.958 5.534 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.433 5.024 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.126 2.440 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.425 2.460 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.944 1.357 6.965 1.00 0.00 H new ATOM 165 N LEU A 5 5.424 1.142 4.831 1.00 0.00 N ATOM 166 CA LEU A 5 5.192 -0.289 4.672 1.00 0.00 C ATOM 167 C LEU A 5 6.503 -0.967 4.325 1.00 0.00 C ATOM 168 O LEU A 5 7.452 -0.313 3.878 1.00 0.00 O ATOM 169 CB LEU A 5 4.184 -0.596 3.549 1.00 0.00 C ATOM 170 CG LEU A 5 2.698 -0.361 3.847 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.273 -1.023 5.151 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.378 1.118 3.859 1.00 0.00 C ATOM 0 H LEU A 5 6.021 1.545 4.109 1.00 0.00 H new ATOM 0 HA LEU A 5 4.783 -0.660 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.453 0.007 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.308 -1.640 3.262 1.00 0.00 H new ATOM 0 HG LEU A 5 2.125 -0.827 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.214 -0.834 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.444 -2.098 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.857 -0.612 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.318 1.259 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.972 1.613 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.613 1.549 2.886 1.00 0.00 H new ATOM 184 N TYR A 6 6.553 -2.267 4.548 1.00 0.00 N ATOM 185 CA TYR A 6 7.662 -3.079 4.091 1.00 0.00 C ATOM 186 C TYR A 6 7.622 -3.205 2.580 1.00 0.00 C ATOM 187 O TYR A 6 6.659 -3.714 2.006 1.00 0.00 O ATOM 188 CB TYR A 6 7.620 -4.457 4.760 1.00 0.00 C ATOM 189 CG TYR A 6 8.083 -5.611 3.889 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.430 -5.831 3.641 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.165 -6.487 3.322 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.850 -6.886 2.854 1.00 0.00 C ATOM 193 CE2 TYR A 6 7.578 -7.545 2.537 1.00 0.00 C ATOM 194 CZ TYR A 6 8.919 -7.739 2.306 1.00 0.00 C ATOM 195 OH TYR A 6 9.330 -8.794 1.528 1.00 0.00 O ATOM 0 H TYR A 6 5.831 -2.786 5.048 1.00 0.00 H new ATOM 0 HA TYR A 6 8.599 -2.597 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.240 -4.427 5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.599 -4.655 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.164 -5.165 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.110 -6.337 3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.903 -7.041 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.851 -8.217 2.106 1.00 0.00 H new ATOM 0 HH TYR A 6 8.548 -9.298 1.221 1.00 0.00 H new ATOM 205 N LYS A 7 8.667 -2.724 1.947 1.00 0.00 N ATOM 206 CA LYS A 7 8.781 -2.799 0.509 1.00 0.00 C ATOM 207 C LYS A 7 9.932 -3.712 0.134 1.00 0.00 C ATOM 208 O LYS A 7 11.087 -3.432 0.462 1.00 0.00 O ATOM 209 CB LYS A 7 9.000 -1.404 -0.085 1.00 0.00 C ATOM 210 CG LYS A 7 9.187 -1.393 -1.600 1.00 0.00 C ATOM 211 CD LYS A 7 7.968 -1.946 -2.326 1.00 0.00 C ATOM 212 CE LYS A 7 8.102 -1.830 -3.840 1.00 0.00 C ATOM 213 NZ LYS A 7 9.296 -2.552 -4.358 1.00 0.00 N ATOM 0 H LYS A 7 9.456 -2.273 2.410 1.00 0.00 H new ATOM 0 HA LYS A 7 7.854 -3.205 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.147 -0.775 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.877 -0.956 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.378 -0.373 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.065 -1.984 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.828 -2.992 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.077 -1.410 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.205 -2.229 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.168 -0.778 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.035 -3.086 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.042 -1.866 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.646 -3.209 -3.632 1.00 0.00 H new ATOM 227 N TRP A 8 9.612 -4.813 -0.529 1.00 0.00 N ATOM 228 CA TRP A 8 10.636 -5.687 -1.068 1.00 0.00 C ATOM 229 C TRP A 8 11.403 -4.942 -2.153 1.00 0.00 C ATOM 230 O TRP A 8 10.805 -4.415 -3.096 1.00 0.00 O ATOM 231 CB TRP A 8 10.023 -6.972 -1.640 1.00 0.00 C ATOM 232 CG TRP A 8 11.048 -7.884 -2.246 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.400 -7.958 -3.564 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.866 -8.841 -1.559 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.390 -8.892 -3.737 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.690 -9.451 -2.524 1.00 0.00 C ATOM 237 CE3 TRP A 8 11.984 -9.242 -0.223 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.619 -10.435 -2.196 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.908 -10.222 0.099 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.712 -10.808 -0.884 1.00 0.00 C ATOM 0 H TRP A 8 8.655 -5.119 -0.705 1.00 0.00 H new ATOM 0 HA TRP A 8 11.314 -5.973 -0.264 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.495 -7.502 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.283 -6.711 -2.396 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.962 -7.367 -4.355 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.831 -9.131 -4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.366 -8.796 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.244 -10.888 -2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.009 -10.539 1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.421 -11.571 -0.601 1.00 0.00 H new ATOM 251 N THR A 9 12.713 -4.877 -2.004 1.00 0.00 N ATOM 252 CA THR A 9 13.551 -4.162 -2.951 1.00 0.00 C ATOM 253 C THR A 9 14.408 -5.132 -3.756 1.00 0.00 C ATOM 254 O THR A 9 14.182 -5.339 -4.950 1.00 0.00 O ATOM 255 CB THR A 9 14.440 -3.134 -2.224 1.00 0.00 C ATOM 256 OG1 THR A 9 15.002 -3.717 -1.036 1.00 0.00 O ATOM 257 CG2 THR A 9 13.630 -1.902 -1.852 1.00 0.00 C ATOM 0 H THR A 9 13.222 -5.312 -1.234 1.00 0.00 H new ATOM 0 HA THR A 9 12.899 -3.627 -3.641 1.00 0.00 H new ATOM 0 HB THR A 9 15.246 -2.840 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.948 -3.922 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.272 -1.186 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.226 -1.446 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.810 -2.190 -1.194 1.00 0.00 H new ATOM 265 N ASN A 10 15.377 -5.736 -3.092 1.00 0.00 N ATOM 266 CA ASN A 10 16.244 -6.717 -3.720 1.00 0.00 C ATOM 267 C ASN A 10 16.546 -7.810 -2.712 1.00 0.00 C ATOM 268 O ASN A 10 16.362 -7.617 -1.514 1.00 0.00 O ATOM 269 CB ASN A 10 17.546 -6.054 -4.193 1.00 0.00 C ATOM 270 CG ASN A 10 18.375 -6.944 -5.101 1.00 0.00 C ATOM 271 OD1 ASN A 10 19.181 -7.748 -4.633 1.00 0.00 O ATOM 272 ND2 ASN A 10 18.197 -6.793 -6.406 1.00 0.00 N ATOM 0 H ASN A 10 15.584 -5.562 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 10 15.747 -7.144 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.305 -5.131 -4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.142 -5.778 -3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.739 -7.355 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.518 -6.115 -6.753 1.00 0.00 H new ATOM 279 N TYR A 11 17.016 -8.949 -3.190 1.00 0.00 N ATOM 280 CA TYR A 11 17.272 -10.087 -2.322 1.00 0.00 C ATOM 281 C TYR A 11 18.488 -9.834 -1.434 1.00 0.00 C ATOM 282 O TYR A 11 18.618 -10.424 -0.362 1.00 0.00 O ATOM 283 CB TYR A 11 17.451 -11.373 -3.146 1.00 0.00 C ATOM 284 CG TYR A 11 18.511 -11.293 -4.228 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.835 -11.622 -3.964 1.00 0.00 C ATOM 286 CD2 TYR A 11 18.181 -10.898 -5.521 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.794 -11.557 -4.952 1.00 0.00 C ATOM 288 CE2 TYR A 11 19.138 -10.830 -6.514 1.00 0.00 C ATOM 289 CZ TYR A 11 20.441 -11.160 -6.223 1.00 0.00 C ATOM 290 OH TYR A 11 21.396 -11.099 -7.209 1.00 0.00 O ATOM 0 H TYR A 11 17.228 -9.111 -4.174 1.00 0.00 H new ATOM 0 HA TYR A 11 16.406 -10.219 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.704 -12.189 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.497 -11.627 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.117 -11.934 -2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 11 17.158 -10.640 -5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.819 -11.816 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.865 -10.520 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 11 20.983 -10.802 -8.047 1.00 0.00 H new ATOM 300 N LEU A 12 19.377 -8.959 -1.888 1.00 0.00 N ATOM 301 CA LEU A 12 20.546 -8.579 -1.104 1.00 0.00 C ATOM 302 C LEU A 12 20.160 -7.665 0.056 1.00 0.00 C ATOM 303 O LEU A 12 20.666 -7.810 1.169 1.00 0.00 O ATOM 304 CB LEU A 12 21.578 -7.879 -1.991 1.00 0.00 C ATOM 305 CG LEU A 12 22.184 -8.748 -3.095 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.152 -7.939 -3.943 1.00 0.00 C ATOM 307 CD2 LEU A 12 22.890 -9.956 -2.497 1.00 0.00 C ATOM 0 H LEU A 12 19.311 -8.499 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 12 20.982 -9.490 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.108 -7.010 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.385 -7.508 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 12 21.374 -9.100 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.572 -8.575 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.623 -7.104 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.956 -7.557 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.315 -10.562 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.687 -9.620 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.174 -10.552 -1.931 1.00 0.00 H new ATOM 319 N THR A 13 19.258 -6.729 -0.213 1.00 0.00 N ATOM 320 CA THR A 13 18.847 -5.747 0.782 1.00 0.00 C ATOM 321 C THR A 13 17.746 -6.286 1.690 1.00 0.00 C ATOM 322 O THR A 13 17.678 -5.946 2.875 1.00 0.00 O ATOM 323 CB THR A 13 18.366 -4.451 0.103 1.00 0.00 C ATOM 324 OG1 THR A 13 17.508 -4.766 -1.002 1.00 0.00 O ATOM 325 CG2 THR A 13 19.546 -3.625 -0.382 1.00 0.00 C ATOM 0 H THR A 13 18.795 -6.630 -1.117 1.00 0.00 H new ATOM 0 HA THR A 13 19.721 -5.531 1.396 1.00 0.00 H new ATOM 0 HB THR A 13 17.812 -3.866 0.837 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.142 -5.667 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.182 -2.715 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.179 -3.363 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.124 -4.204 -1.102 1.00 0.00 H new ATOM 333 N GLY A 14 16.885 -7.119 1.131 1.00 0.00 N ATOM 334 CA GLY A 14 15.811 -7.702 1.902 1.00 0.00 C ATOM 335 C GLY A 14 14.607 -6.788 1.992 1.00 0.00 C ATOM 336 O GLY A 14 13.793 -6.727 1.068 1.00 0.00 O ATOM 0 H GLY A 14 16.912 -7.403 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.513 -8.648 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.169 -7.928 2.906 1.00 0.00 H new ATOM 340 N TRP A 15 14.509 -6.052 3.091 1.00 0.00 N ATOM 341 CA TRP A 15 13.345 -5.220 3.340 1.00 0.00 C ATOM 342 C TRP A 15 13.758 -3.761 3.541 1.00 0.00 C ATOM 343 O TRP A 15 14.746 -3.472 4.218 1.00 0.00 O ATOM 344 CB TRP A 15 12.564 -5.764 4.554 1.00 0.00 C ATOM 345 CG TRP A 15 12.715 -4.974 5.823 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.697 -5.098 6.764 1.00 0.00 C ATOM 347 CD2 TRP A 15 11.836 -3.946 6.291 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.488 -4.198 7.783 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.350 -3.478 7.514 1.00 0.00 C ATOM 350 CE3 TRP A 15 10.670 -3.374 5.786 1.00 0.00 C ATOM 351 CZ2 TRP A 15 11.729 -2.463 8.239 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.052 -2.370 6.501 1.00 0.00 C ATOM 353 CH2 TRP A 15 10.583 -1.921 7.717 1.00 0.00 C ATOM 0 H TRP A 15 15.221 -6.016 3.821 1.00 0.00 H new ATOM 0 HA TRP A 15 12.688 -5.253 2.471 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.506 -5.805 4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.886 -6.788 4.743 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.517 -5.799 6.715 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.082 -4.084 8.605 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.256 -3.712 4.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.135 -2.116 9.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.146 -1.924 6.118 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.079 -1.131 8.255 1.00 0.00 H new ATOM 364 N GLN A 16 13.027 -2.854 2.905 1.00 0.00 N ATOM 365 CA GLN A 16 13.247 -1.423 3.080 1.00 0.00 C ATOM 366 C GLN A 16 11.918 -0.715 3.326 1.00 0.00 C ATOM 367 O GLN A 16 10.991 -0.845 2.524 1.00 0.00 O ATOM 368 CB GLN A 16 13.933 -0.826 1.842 1.00 0.00 C ATOM 369 CG GLN A 16 15.362 -1.306 1.618 1.00 0.00 C ATOM 370 CD GLN A 16 16.347 -0.723 2.618 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.998 -0.422 3.760 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.585 -0.542 2.186 1.00 0.00 N ATOM 0 H GLN A 16 12.272 -3.086 2.259 1.00 0.00 H new ATOM 0 HA GLN A 16 13.896 -1.278 3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.339 -1.069 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.938 0.260 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.388 -2.394 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.676 -1.038 0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.836 -0.804 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.288 -0.141 2.806 1.00 0.00 H new ATOM 381 N PRO A 17 11.792 0.018 4.446 1.00 0.00 N ATOM 382 CA PRO A 17 10.596 0.815 4.742 1.00 0.00 C ATOM 383 C PRO A 17 10.426 1.981 3.774 1.00 0.00 C ATOM 384 O PRO A 17 11.327 2.807 3.606 1.00 0.00 O ATOM 385 CB PRO A 17 10.852 1.338 6.156 1.00 0.00 C ATOM 386 CG PRO A 17 12.334 1.312 6.305 1.00 0.00 C ATOM 387 CD PRO A 17 12.789 0.112 5.529 1.00 0.00 C ATOM 0 HA PRO A 17 9.684 0.225 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.459 2.347 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.367 0.711 6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.784 2.225 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.623 1.235 7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.798 0.243 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.801 -0.787 6.146 1.00 0.00 H new ATOM 395 N ARG A 18 9.273 2.044 3.136 1.00 0.00 N ATOM 396 CA ARG A 18 8.972 3.120 2.202 1.00 0.00 C ATOM 397 C ARG A 18 7.731 3.862 2.651 1.00 0.00 C ATOM 398 O ARG A 18 6.894 3.296 3.350 1.00 0.00 O ATOM 399 CB ARG A 18 8.773 2.572 0.787 1.00 0.00 C ATOM 400 CG ARG A 18 10.055 2.080 0.142 1.00 0.00 C ATOM 401 CD ARG A 18 11.085 3.193 0.060 1.00 0.00 C ATOM 402 NE ARG A 18 12.303 2.767 -0.623 1.00 0.00 N ATOM 403 CZ ARG A 18 13.378 3.539 -0.765 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.396 4.752 -0.225 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.437 3.099 -1.433 1.00 0.00 N ATOM 0 H ARG A 18 8.524 1.361 3.246 1.00 0.00 H new ATOM 0 HA ARG A 18 9.816 3.809 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.055 1.752 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.337 3.352 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.459 1.247 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.842 1.703 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.655 4.046 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.334 3.531 1.066 1.00 0.00 H new ATOM 0 HE ARG A 18 12.332 1.825 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.587 5.090 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.218 5.346 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.430 2.164 -1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.258 3.696 -1.538 1.00 0.00 H new ATOM 419 N TRP A 19 7.606 5.113 2.234 1.00 0.00 N ATOM 420 CA TRP A 19 6.506 5.951 2.674 1.00 0.00 C ATOM 421 C TRP A 19 5.362 5.874 1.676 1.00 0.00 C ATOM 422 O TRP A 19 5.544 6.128 0.484 1.00 0.00 O ATOM 423 CB TRP A 19 6.972 7.403 2.831 1.00 0.00 C ATOM 424 CG TRP A 19 5.950 8.298 3.472 1.00 0.00 C ATOM 425 CD1 TRP A 19 4.999 9.049 2.842 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.782 8.534 4.874 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.250 9.731 3.769 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.708 9.430 5.021 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.431 8.070 6.021 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.271 9.871 6.266 1.00 0.00 C ATOM 431 CZ3 TRP A 19 5.998 8.510 7.257 1.00 0.00 C ATOM 432 CH2 TRP A 19 4.925 9.400 7.372 1.00 0.00 C ATOM 0 H TRP A 19 8.254 5.568 1.591 1.00 0.00 H new ATOM 0 HA TRP A 19 6.157 5.591 3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.883 7.420 3.429 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.227 7.802 1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.857 9.099 1.773 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.476 10.361 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.257 7.379 5.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.445 10.561 6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.496 8.161 8.149 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.607 9.722 8.353 1.00 0.00 H new ATOM 443 N PHE A 20 4.191 5.513 2.172 1.00 0.00 N ATOM 444 CA PHE A 20 3.013 5.369 1.335 1.00 0.00 C ATOM 445 C PHE A 20 1.879 6.214 1.886 1.00 0.00 C ATOM 446 O PHE A 20 1.739 6.361 3.100 1.00 0.00 O ATOM 447 CB PHE A 20 2.572 3.902 1.262 1.00 0.00 C ATOM 448 CG PHE A 20 3.568 2.991 0.601 1.00 0.00 C ATOM 449 CD1 PHE A 20 3.529 2.782 -0.767 1.00 0.00 C ATOM 450 CD2 PHE A 20 4.532 2.332 1.346 1.00 0.00 C ATOM 451 CE1 PHE A 20 4.433 1.938 -1.382 1.00 0.00 C ATOM 452 CE2 PHE A 20 5.440 1.485 0.737 1.00 0.00 C ATOM 453 CZ PHE A 20 5.389 1.288 -0.628 1.00 0.00 C ATOM 0 H PHE A 20 4.031 5.313 3.159 1.00 0.00 H new ATOM 0 HA PHE A 20 3.265 5.708 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.381 3.541 2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.628 3.845 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.781 3.286 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.575 2.481 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.392 1.787 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.188 0.978 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.096 0.626 -1.106 1.00 0.00 H new ATOM 463 N VAL A 21 1.084 6.783 0.997 1.00 0.00 N ATOM 464 CA VAL A 21 -0.084 7.547 1.401 1.00 0.00 C ATOM 465 C VAL A 21 -1.297 7.144 0.570 1.00 0.00 C ATOM 466 O VAL A 21 -1.201 6.983 -0.647 1.00 0.00 O ATOM 467 CB VAL A 21 0.134 9.081 1.292 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.190 9.561 2.279 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.505 9.493 -0.127 1.00 0.00 C ATOM 0 H VAL A 21 1.226 6.730 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.259 7.315 2.452 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.812 9.559 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.319 10.639 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.871 9.328 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.136 9.061 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.650 10.573 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.427 8.992 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.296 9.209 -0.809 1.00 0.00 H new ATOM 479 N LEU A 22 -2.427 6.960 1.230 1.00 0.00 N ATOM 480 CA LEU A 22 -3.670 6.675 0.536 1.00 0.00 C ATOM 481 C LEU A 22 -4.470 7.953 0.503 1.00 0.00 C ATOM 482 O LEU A 22 -4.760 8.533 1.548 1.00 0.00 O ATOM 483 CB LEU A 22 -4.467 5.559 1.249 1.00 0.00 C ATOM 484 CG LEU A 22 -5.684 4.980 0.487 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.839 5.969 0.412 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.279 4.535 -0.910 1.00 0.00 C ATOM 0 H LEU A 22 -2.509 7.003 2.246 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.461 6.321 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.783 4.740 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.818 5.948 2.205 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.032 4.114 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.669 5.518 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.163 6.227 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.513 6.871 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.148 4.131 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.889 5.388 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.510 3.766 -0.838 1.00 0.00 H new ATOM 498 N ASP A 23 -4.794 8.408 -0.687 1.00 0.00 N ATOM 499 CA ASP A 23 -5.561 9.630 -0.826 1.00 0.00 C ATOM 500 C ASP A 23 -6.624 9.469 -1.898 1.00 0.00 C ATOM 501 O ASP A 23 -6.315 9.402 -3.088 1.00 0.00 O ATOM 502 CB ASP A 23 -4.643 10.811 -1.172 1.00 0.00 C ATOM 503 CG ASP A 23 -5.288 12.158 -0.887 1.00 0.00 C ATOM 504 OD1 ASP A 23 -6.490 12.334 -1.178 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.590 13.053 -0.362 1.00 0.00 O ATOM 0 H ASP A 23 -4.542 7.957 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.048 9.835 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.719 10.727 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.372 10.758 -2.226 1.00 0.00 H new ATOM 510 N ASN A 24 -7.871 9.369 -1.448 1.00 0.00 N ATOM 511 CA ASN A 24 -9.042 9.399 -2.325 1.00 0.00 C ATOM 512 C ASN A 24 -8.938 8.371 -3.457 1.00 0.00 C ATOM 513 O ASN A 24 -8.974 8.721 -4.638 1.00 0.00 O ATOM 514 CB ASN A 24 -9.216 10.812 -2.898 1.00 0.00 C ATOM 515 CG ASN A 24 -10.623 11.091 -3.396 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.484 11.541 -2.637 1.00 0.00 O ATOM 517 ND2 ASN A 24 -10.867 10.835 -4.671 1.00 0.00 N ATOM 0 H ASN A 24 -8.101 9.264 -0.460 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.916 9.133 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.959 11.542 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.513 10.952 -3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.794 11.010 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.128 10.463 -5.267 1.00 0.00 H new ATOM 524 N GLY A 25 -8.791 7.104 -3.086 1.00 0.00 N ATOM 525 CA GLY A 25 -8.772 6.033 -4.070 1.00 0.00 C ATOM 526 C GLY A 25 -7.414 5.817 -4.719 1.00 0.00 C ATOM 527 O GLY A 25 -7.230 4.857 -5.470 1.00 0.00 O ATOM 0 H GLY A 25 -8.684 6.797 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.086 5.106 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.504 6.253 -4.847 1.00 0.00 H new ATOM 531 N ILE A 26 -6.461 6.696 -4.453 1.00 0.00 N ATOM 532 CA ILE A 26 -5.135 6.559 -5.037 1.00 0.00 C ATOM 533 C ILE A 26 -4.090 6.294 -3.958 1.00 0.00 C ATOM 534 O ILE A 26 -4.040 6.988 -2.944 1.00 0.00 O ATOM 535 CB ILE A 26 -4.730 7.813 -5.847 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.778 8.124 -6.928 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.353 7.623 -6.472 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.059 6.961 -7.856 1.00 0.00 C ATOM 0 H ILE A 26 -6.578 7.505 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.177 5.709 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.684 8.662 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.708 8.424 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.437 8.974 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.084 8.515 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.616 7.456 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.372 6.762 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.808 7.255 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.141 6.674 -8.368 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.431 6.116 -7.277 1.00 0.00 H new ATOM 550 N LEU A 27 -3.265 5.284 -4.182 1.00 0.00 N ATOM 551 CA LEU A 27 -2.204 4.933 -3.251 1.00 0.00 C ATOM 552 C LEU A 27 -0.877 5.417 -3.825 1.00 0.00 C ATOM 553 O LEU A 27 -0.442 4.955 -4.876 1.00 0.00 O ATOM 554 CB LEU A 27 -2.205 3.407 -3.013 1.00 0.00 C ATOM 555 CG LEU A 27 -1.381 2.887 -1.817 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.115 2.949 -2.096 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.724 3.664 -0.555 1.00 0.00 C ATOM 0 H LEU A 27 -3.311 4.688 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.361 5.414 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.238 3.085 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.835 2.922 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.643 1.840 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.662 2.575 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.349 2.336 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.406 3.981 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.133 3.284 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.500 4.720 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.784 3.546 -0.332 1.00 0.00 H new ATOM 569 N SER A 28 -0.243 6.354 -3.143 1.00 0.00 N ATOM 570 CA SER A 28 0.974 6.965 -3.651 1.00 0.00 C ATOM 571 C SER A 28 2.189 6.483 -2.869 1.00 0.00 C ATOM 572 O SER A 28 2.120 6.290 -1.655 1.00 0.00 O ATOM 573 CB SER A 28 0.867 8.487 -3.572 1.00 0.00 C ATOM 574 OG SER A 28 -0.325 8.946 -4.192 1.00 0.00 O ATOM 0 H SER A 28 -0.549 6.709 -2.237 1.00 0.00 H new ATOM 0 HA SER A 28 1.099 6.670 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.883 8.803 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.731 8.942 -4.056 1.00 0.00 H new ATOM 0 HG SER A 28 -0.372 9.923 -4.127 1.00 0.00 H new ATOM 580 N TYR A 29 3.294 6.291 -3.576 1.00 0.00 N ATOM 581 CA TYR A 29 4.529 5.806 -2.973 1.00 0.00 C ATOM 582 C TYR A 29 5.642 6.833 -3.138 1.00 0.00 C ATOM 583 O TYR A 29 5.782 7.445 -4.199 1.00 0.00 O ATOM 584 CB TYR A 29 4.943 4.466 -3.596 1.00 0.00 C ATOM 585 CG TYR A 29 5.045 4.482 -5.108 1.00 0.00 C ATOM 586 CD1 TYR A 29 3.919 4.292 -5.900 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.265 4.685 -5.742 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.006 4.304 -7.278 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.359 4.700 -7.120 1.00 0.00 C ATOM 590 CZ TYR A 29 5.227 4.509 -7.883 1.00 0.00 C ATOM 591 OH TYR A 29 5.314 4.528 -9.255 1.00 0.00 O ATOM 0 H TYR A 29 3.361 6.466 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 29 4.353 5.653 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.907 4.170 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.222 3.704 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.960 4.132 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.154 4.833 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.121 4.153 -7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.314 4.861 -7.597 1.00 0.00 H new ATOM 0 HH TYR A 29 6.244 4.685 -9.522 1.00 0.00 H new ATOM 601 N TYR A 30 6.412 7.032 -2.078 1.00 0.00 N ATOM 602 CA TYR A 30 7.513 7.984 -2.092 1.00 0.00 C ATOM 603 C TYR A 30 8.737 7.392 -1.405 1.00 0.00 C ATOM 604 O TYR A 30 8.655 6.320 -0.796 1.00 0.00 O ATOM 605 CB TYR A 30 7.102 9.291 -1.403 1.00 0.00 C ATOM 606 CG TYR A 30 6.028 10.052 -2.144 1.00 0.00 C ATOM 607 CD1 TYR A 30 4.680 9.798 -1.916 1.00 0.00 C ATOM 608 CD2 TYR A 30 6.365 11.021 -3.080 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.702 10.487 -2.602 1.00 0.00 C ATOM 610 CE2 TYR A 30 5.392 11.715 -3.766 1.00 0.00 C ATOM 611 CZ TYR A 30 4.064 11.445 -3.525 1.00 0.00 C ATOM 612 OH TYR A 30 3.095 12.127 -4.220 1.00 0.00 O ATOM 0 H TYR A 30 6.293 6.543 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 30 7.765 8.201 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.748 9.066 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.980 9.928 -1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.395 9.050 -1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.406 11.234 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.659 10.277 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.670 12.467 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 30 3.519 12.767 -4.829 1.00 0.00 H new ATOM 622 N ASP A 31 9.872 8.074 -1.503 1.00 0.00 N ATOM 623 CA ASP A 31 11.086 7.592 -0.850 1.00 0.00 C ATOM 624 C ASP A 31 11.005 7.843 0.648 1.00 0.00 C ATOM 625 O ASP A 31 11.366 6.981 1.455 1.00 0.00 O ATOM 626 CB ASP A 31 12.332 8.283 -1.422 1.00 0.00 C ATOM 627 CG ASP A 31 13.619 7.818 -0.753 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.905 8.265 0.379 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.345 6.995 -1.356 1.00 0.00 O ATOM 0 H ASP A 31 9.979 8.948 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 31 11.169 6.521 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.392 8.087 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.233 9.362 -1.300 1.00 0.00 H new ATOM 634 N SER A 32 10.466 9.002 1.007 1.00 0.00 N ATOM 635 CA SER A 32 10.397 9.433 2.394 1.00 0.00 C ATOM 636 C SER A 32 9.234 10.400 2.595 1.00 0.00 C ATOM 637 O SER A 32 8.497 10.695 1.652 1.00 0.00 O ATOM 638 CB SER A 32 11.718 10.101 2.810 1.00 0.00 C ATOM 639 OG SER A 32 12.805 9.196 2.726 1.00 0.00 O ATOM 0 H SER A 32 10.066 9.667 0.345 1.00 0.00 H new ATOM 0 HA SER A 32 10.233 8.556 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.909 10.962 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.633 10.475 3.830 1.00 0.00 H new ATOM 0 HG SER A 32 13.072 9.091 1.789 1.00 0.00 H new ATOM 645 N GLN A 33 9.086 10.891 3.816 1.00 0.00 N ATOM 646 CA GLN A 33 8.019 11.824 4.162 1.00 0.00 C ATOM 647 C GLN A 33 8.186 13.147 3.407 1.00 0.00 C ATOM 648 O GLN A 33 7.278 13.595 2.710 1.00 0.00 O ATOM 649 CB GLN A 33 8.034 12.063 5.674 1.00 0.00 C ATOM 650 CG GLN A 33 6.959 13.015 6.168 1.00 0.00 C ATOM 651 CD GLN A 33 7.034 13.234 7.665 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.479 12.218 8.392 1.00 0.00 O flip ATOM 653 NE2 GLN A 33 6.697 14.303 8.166 1.00 0.00 N flip ATOM 0 H GLN A 33 9.700 10.656 4.596 1.00 0.00 H new ATOM 0 HA GLN A 33 7.060 11.395 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.916 11.106 6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.010 12.457 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.061 13.972 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.977 12.618 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.360 15.061 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.754 14.433 9.176 1.00 0.00 H new ATOM 662 N ASP A 34 9.366 13.747 3.533 1.00 0.00 N ATOM 663 CA ASP A 34 9.669 15.023 2.873 1.00 0.00 C ATOM 664 C ASP A 34 9.638 14.877 1.352 1.00 0.00 C ATOM 665 O ASP A 34 9.353 15.830 0.623 1.00 0.00 O ATOM 666 CB ASP A 34 11.037 15.532 3.344 1.00 0.00 C ATOM 667 CG ASP A 34 11.618 16.621 2.458 1.00 0.00 C ATOM 668 OD1 ASP A 34 10.982 17.683 2.295 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.724 16.414 1.910 1.00 0.00 O ATOM 0 H ASP A 34 10.135 13.371 4.088 1.00 0.00 H new ATOM 0 HA ASP A 34 8.905 15.750 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.943 15.914 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.734 14.695 3.381 1.00 0.00 H new ATOM 674 N ASP A 35 9.888 13.664 0.882 1.00 0.00 N ATOM 675 CA ASP A 35 9.910 13.378 -0.550 1.00 0.00 C ATOM 676 C ASP A 35 8.512 13.531 -1.161 1.00 0.00 C ATOM 677 O ASP A 35 8.366 13.743 -2.366 1.00 0.00 O ATOM 678 CB ASP A 35 10.453 11.966 -0.800 1.00 0.00 C ATOM 679 CG ASP A 35 10.516 11.626 -2.275 1.00 0.00 C ATOM 680 OD1 ASP A 35 11.285 12.281 -3.009 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.786 10.711 -2.713 1.00 0.00 O ATOM 0 H ASP A 35 10.080 12.855 1.473 1.00 0.00 H new ATOM 0 HA ASP A 35 10.570 14.099 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.450 11.881 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.820 11.240 -0.289 1.00 0.00 H new ATOM 686 N VAL A 36 7.490 13.452 -0.315 1.00 0.00 N ATOM 687 CA VAL A 36 6.106 13.597 -0.757 1.00 0.00 C ATOM 688 C VAL A 36 5.835 15.015 -1.246 1.00 0.00 C ATOM 689 O VAL A 36 5.153 15.226 -2.249 1.00 0.00 O ATOM 690 CB VAL A 36 5.112 13.257 0.379 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.677 13.462 -0.078 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.315 11.833 0.868 1.00 0.00 C ATOM 0 H VAL A 36 7.595 13.287 0.686 1.00 0.00 H new ATOM 0 HA VAL A 36 5.960 12.896 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 36 5.308 13.936 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.997 13.217 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.533 14.502 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.470 12.814 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.605 11.618 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.155 11.139 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.331 11.719 1.246 1.00 0.00 H new ATOM 782 N SER A 43 1.961 6.809 -9.123 1.00 0.00 N ATOM 783 CA SER A 43 0.953 6.466 -8.141 1.00 0.00 C ATOM 784 C SER A 43 0.311 5.136 -8.489 1.00 0.00 C ATOM 785 O SER A 43 0.387 4.680 -9.630 1.00 0.00 O ATOM 786 CB SER A 43 -0.107 7.569 -8.066 1.00 0.00 C ATOM 787 OG SER A 43 0.492 8.832 -7.828 1.00 0.00 O ATOM 0 HA SER A 43 1.430 6.375 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.672 7.600 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.817 7.343 -7.270 1.00 0.00 H new ATOM 0 HG SER A 43 1.415 8.824 -8.158 1.00 0.00 H new ATOM 793 N ILE A 44 -0.326 4.524 -7.508 1.00 0.00 N ATOM 794 CA ILE A 44 -0.996 3.260 -7.717 1.00 0.00 C ATOM 795 C ILE A 44 -2.495 3.469 -7.648 1.00 0.00 C ATOM 796 O ILE A 44 -3.033 3.943 -6.645 1.00 0.00 O ATOM 797 CB ILE A 44 -0.578 2.198 -6.675 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.934 1.951 -6.738 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.345 0.898 -6.901 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.440 0.965 -5.702 1.00 0.00 C ATOM 0 H ILE A 44 -0.392 4.886 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.705 2.890 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.823 2.573 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.191 1.583 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.453 2.900 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.039 0.161 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.415 1.085 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.130 0.518 -7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.518 0.844 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.216 1.340 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.950 0.002 -5.846 1.00 0.00 H new ATOM 812 N LYS A 45 -3.153 3.142 -8.738 1.00 0.00 N ATOM 813 CA LYS A 45 -4.586 3.297 -8.845 1.00 0.00 C ATOM 814 C LYS A 45 -5.294 2.104 -8.221 1.00 0.00 C ATOM 815 O LYS A 45 -5.240 0.997 -8.749 1.00 0.00 O ATOM 816 CB LYS A 45 -4.975 3.452 -10.318 1.00 0.00 C ATOM 817 CG LYS A 45 -6.430 3.145 -10.603 1.00 0.00 C ATOM 818 CD LYS A 45 -6.766 3.320 -12.072 1.00 0.00 C ATOM 819 CE LYS A 45 -6.539 4.746 -12.532 1.00 0.00 C ATOM 820 NZ LYS A 45 -6.888 4.922 -13.964 1.00 0.00 N ATOM 0 H LYS A 45 -2.710 2.762 -9.574 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.894 4.192 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.760 4.472 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.350 2.793 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.652 2.122 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.064 3.800 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.154 2.643 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.806 3.044 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.139 5.424 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.495 5.017 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.720 5.910 -14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.298 4.293 -14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.891 4.687 -14.108 1.00 0.00 H new ATOM 834 N MET A 46 -5.960 2.339 -7.095 1.00 0.00 N ATOM 835 CA MET A 46 -6.665 1.274 -6.392 1.00 0.00 C ATOM 836 C MET A 46 -7.791 0.707 -7.245 1.00 0.00 C ATOM 837 O MET A 46 -8.152 -0.448 -7.117 1.00 0.00 O ATOM 838 CB MET A 46 -7.226 1.767 -5.063 1.00 0.00 C ATOM 839 CG MET A 46 -6.155 2.157 -4.051 1.00 0.00 C ATOM 840 SD MET A 46 -4.952 0.850 -3.755 1.00 0.00 S ATOM 841 CE MET A 46 -6.003 -0.391 -3.016 1.00 0.00 C ATOM 0 H MET A 46 -6.026 3.255 -6.651 1.00 0.00 H new ATOM 0 HA MET A 46 -5.941 0.484 -6.194 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.869 2.627 -5.247 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.853 0.987 -4.632 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.635 3.047 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.634 2.422 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.392 -1.220 -2.658 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.548 0.045 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.711 -0.757 -3.759 1.00 0.00 H new ATOM 851 N ALA A 47 -8.327 1.530 -8.135 1.00 0.00 N ATOM 852 CA ALA A 47 -9.421 1.113 -9.007 1.00 0.00 C ATOM 853 C ALA A 47 -8.974 0.069 -10.034 1.00 0.00 C ATOM 854 O ALA A 47 -9.804 -0.583 -10.667 1.00 0.00 O ATOM 855 CB ALA A 47 -10.013 2.321 -9.711 1.00 0.00 C ATOM 0 H ALA A 47 -8.022 2.494 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.181 0.647 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.828 2.001 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.393 3.024 -8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.243 2.807 -10.310 1.00 0.00 H new ATOM 861 N VAL A 48 -7.666 -0.074 -10.206 1.00 0.00 N ATOM 862 CA VAL A 48 -7.120 -1.039 -11.154 1.00 0.00 C ATOM 863 C VAL A 48 -6.132 -1.966 -10.443 1.00 0.00 C ATOM 864 O VAL A 48 -5.522 -2.849 -11.047 1.00 0.00 O ATOM 865 CB VAL A 48 -6.424 -0.319 -12.333 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.083 0.261 -11.910 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.261 -1.242 -13.528 1.00 0.00 C ATOM 0 H VAL A 48 -6.963 0.466 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.942 -1.632 -11.555 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.068 0.507 -12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.618 0.761 -12.760 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.235 0.980 -11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.433 -0.542 -11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.769 -0.704 -14.338 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.656 -2.103 -13.243 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.241 -1.582 -13.861 1.00 0.00 H new ATOM 877 N CYS A 49 -5.991 -1.752 -9.148 1.00 0.00 N ATOM 878 CA CYS A 49 -5.057 -2.503 -8.335 1.00 0.00 C ATOM 879 C CYS A 49 -5.720 -2.910 -7.035 1.00 0.00 C ATOM 880 O CYS A 49 -6.114 -2.057 -6.241 1.00 0.00 O ATOM 881 CB CYS A 49 -3.821 -1.651 -8.048 1.00 0.00 C ATOM 882 SG CYS A 49 -2.642 -2.397 -6.901 1.00 0.00 S ATOM 0 H CYS A 49 -6.522 -1.051 -8.631 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.753 -3.400 -8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.311 -1.445 -8.989 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.143 -0.691 -7.644 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.479 -1.834 -7.046 1.00 0.00 H new ATOM 888 N GLU A 50 -5.824 -4.203 -6.798 1.00 0.00 N ATOM 889 CA GLU A 50 -6.494 -4.670 -5.606 1.00 0.00 C ATOM 890 C GLU A 50 -5.539 -4.748 -4.440 1.00 0.00 C ATOM 891 O GLU A 50 -4.368 -5.103 -4.588 1.00 0.00 O ATOM 892 CB GLU A 50 -7.138 -6.048 -5.792 1.00 0.00 C ATOM 893 CG GLU A 50 -8.452 -6.029 -6.553 1.00 0.00 C ATOM 894 CD GLU A 50 -9.411 -7.090 -6.044 1.00 0.00 C ATOM 895 OE1 GLU A 50 -10.166 -6.806 -5.089 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.394 -8.224 -6.563 1.00 0.00 O ATOM 0 H GLU A 50 -5.459 -4.937 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.279 -3.941 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.437 -6.695 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.307 -6.492 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.913 -5.046 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.261 -6.190 -7.614 1.00 0.00 H new ATOM 903 N ILE A 51 -6.063 -4.411 -3.284 1.00 0.00 N ATOM 904 CA ILE A 51 -5.399 -4.677 -2.036 1.00 0.00 C ATOM 905 C ILE A 51 -5.994 -5.953 -1.487 1.00 0.00 C ATOM 906 O ILE A 51 -7.187 -6.026 -1.188 1.00 0.00 O ATOM 907 CB ILE A 51 -5.580 -3.509 -1.040 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.179 -3.906 0.385 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.016 -3.006 -1.059 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.697 -4.132 0.578 1.00 0.00 C ATOM 0 H ILE A 51 -6.964 -3.944 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.325 -4.783 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.917 -2.706 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.507 -3.126 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.711 -4.817 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.123 -2.184 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.266 -2.657 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.689 -3.816 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.503 -4.409 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.362 -4.934 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.155 -3.217 0.340 1.00 0.00 H new ATOM 922 N LYS A 52 -5.177 -6.974 -1.397 1.00 0.00 N ATOM 923 CA LYS A 52 -5.678 -8.284 -1.050 1.00 0.00 C ATOM 924 C LYS A 52 -5.776 -8.390 0.457 1.00 0.00 C ATOM 925 O LYS A 52 -4.767 -8.470 1.156 1.00 0.00 O ATOM 926 CB LYS A 52 -4.759 -9.365 -1.626 1.00 0.00 C ATOM 927 CG LYS A 52 -4.359 -9.123 -3.080 1.00 0.00 C ATOM 928 CD LYS A 52 -5.321 -9.743 -4.092 1.00 0.00 C ATOM 929 CE LYS A 52 -6.718 -9.151 -4.037 1.00 0.00 C ATOM 930 NZ LYS A 52 -7.588 -9.718 -5.105 1.00 0.00 N ATOM 0 H LYS A 52 -4.171 -6.926 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.670 -8.431 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.858 -9.425 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.259 -10.331 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.301 -8.049 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.361 -9.528 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.917 -9.609 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.382 -10.817 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.161 -9.349 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.661 -8.068 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.935 -8.950 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.041 -10.393 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.397 -10.207 -4.671 1.00 0.00 H new ATOM 944 N VAL A 53 -7.005 -8.383 0.945 1.00 0.00 N ATOM 945 CA VAL A 53 -7.260 -8.339 2.369 1.00 0.00 C ATOM 946 C VAL A 53 -8.064 -9.549 2.816 1.00 0.00 C ATOM 947 O VAL A 53 -9.217 -9.732 2.425 1.00 0.00 O ATOM 948 CB VAL A 53 -7.977 -7.023 2.772 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.474 -7.082 4.211 1.00 0.00 C ATOM 950 CG2 VAL A 53 -7.028 -5.848 2.595 1.00 0.00 C ATOM 0 H VAL A 53 -7.846 -8.408 0.368 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.296 -8.364 2.878 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.844 -6.893 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.972 -6.145 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.178 -7.907 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.629 -7.236 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.534 -4.925 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.151 -5.990 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.717 -5.785 1.552 1.00 0.00 H new ATOM 1025 N THR A 59 -0.039 -8.344 9.587 1.00 0.00 N ATOM 1026 CA THR A 59 0.741 -7.467 8.704 1.00 0.00 C ATOM 1027 C THR A 59 0.909 -8.069 7.305 1.00 0.00 C ATOM 1028 O THR A 59 2.003 -8.067 6.741 1.00 0.00 O ATOM 1029 CB THR A 59 2.139 -7.157 9.297 1.00 0.00 C ATOM 1030 OG1 THR A 59 2.946 -8.343 9.349 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.017 -6.587 10.696 1.00 0.00 C ATOM 0 HA THR A 59 0.176 -6.538 8.621 1.00 0.00 H new ATOM 0 HB THR A 59 2.614 -6.423 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.824 -8.125 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.011 -6.377 11.091 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.437 -5.664 10.664 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.515 -7.309 11.340 1.00 0.00 H new ATOM 1039 N ARG A 60 -0.170 -8.591 6.745 1.00 0.00 N ATOM 1040 CA ARG A 60 -0.083 -9.297 5.480 1.00 0.00 C ATOM 1041 C ARG A 60 -1.101 -8.778 4.467 1.00 0.00 C ATOM 1042 O ARG A 60 -2.275 -9.150 4.499 1.00 0.00 O ATOM 1043 CB ARG A 60 -0.290 -10.787 5.735 1.00 0.00 C ATOM 1044 CG ARG A 60 -1.446 -11.068 6.684 1.00 0.00 C ATOM 1045 CD ARG A 60 -2.430 -12.062 6.090 1.00 0.00 C ATOM 1046 NE ARG A 60 -2.511 -11.954 4.635 1.00 0.00 N ATOM 1047 CZ ARG A 60 -2.223 -12.954 3.798 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -1.897 -14.155 4.267 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -2.268 -12.752 2.486 1.00 0.00 N ATOM 0 H ARG A 60 -1.108 -8.540 7.143 1.00 0.00 H new ATOM 0 HA ARG A 60 0.904 -9.125 5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.474 -11.291 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.625 -11.211 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.058 -11.458 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.963 -10.136 6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.130 -13.074 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.417 -11.895 6.521 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.805 -11.063 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.865 -14.318 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.679 -14.913 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.522 -11.835 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.048 -13.514 1.845 1.00 0.00 H new ATOM 1063 N MET A 61 -0.650 -7.905 3.577 1.00 0.00 N ATOM 1064 CA MET A 61 -1.495 -7.395 2.507 1.00 0.00 C ATOM 1065 C MET A 61 -0.729 -7.421 1.188 1.00 0.00 C ATOM 1066 O MET A 61 0.501 -7.417 1.180 1.00 0.00 O ATOM 1067 CB MET A 61 -1.973 -5.968 2.816 1.00 0.00 C ATOM 1068 CG MET A 61 -2.502 -5.788 4.229 1.00 0.00 C ATOM 1069 SD MET A 61 -1.278 -5.085 5.362 1.00 0.00 S ATOM 1070 CE MET A 61 -1.388 -3.348 4.926 1.00 0.00 C ATOM 0 H MET A 61 0.300 -7.534 3.575 1.00 0.00 H new ATOM 0 HA MET A 61 -2.374 -8.035 2.425 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.146 -5.276 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.756 -5.696 2.108 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.378 -5.140 4.203 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.831 -6.754 4.613 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.890 -2.749 5.689 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.905 -3.183 3.963 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.436 -3.055 4.861 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.455 -7.465 0.083 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.843 -7.531 -1.239 1.00 0.00 C ATOM 1082 C GLU A 62 -1.457 -6.495 -2.168 1.00 0.00 C ATOM 1083 O GLU A 62 -2.670 -6.295 -2.163 1.00 0.00 O ATOM 1084 CB GLU A 62 -1.018 -8.935 -1.830 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.648 -9.042 -3.304 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.829 -10.448 -3.851 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.010 -11.327 -3.521 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -1.788 -10.679 -4.624 1.00 0.00 O ATOM 0 H GLU A 62 -2.475 -7.456 0.073 1.00 0.00 H new ATOM 0 HA GLU A 62 0.221 -7.316 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.406 -9.635 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.056 -9.243 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.262 -8.350 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.389 -8.735 -3.438 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.620 -5.827 -2.945 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.091 -4.893 -3.950 1.00 0.00 C ATOM 1097 C LEU A 63 -0.827 -5.476 -5.332 1.00 0.00 C ATOM 1098 O LEU A 63 0.318 -5.765 -5.689 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.377 -3.541 -3.806 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.007 -2.532 -2.832 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.255 -1.898 -3.435 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.343 -3.197 -1.506 1.00 0.00 C ATOM 0 H LEU A 63 0.395 -5.916 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.160 -4.731 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.648 -3.729 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.324 -3.077 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.275 -1.745 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.681 -1.188 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.990 -1.377 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.987 -2.675 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.787 -2.463 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.050 -4.009 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.433 -3.595 -1.058 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.879 -5.647 -6.107 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.754 -6.252 -7.422 1.00 0.00 C ATOM 1116 C ILE A 64 -2.363 -5.364 -8.503 1.00 0.00 C ATOM 1117 O ILE A 64 -3.567 -5.110 -8.524 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.391 -7.665 -7.441 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.661 -8.152 -8.874 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.662 -7.695 -6.606 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.408 -8.387 -9.692 1.00 0.00 C ATOM 0 H ILE A 64 -2.829 -5.377 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.691 -6.355 -7.641 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.672 -8.354 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.233 -9.079 -8.830 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.284 -7.418 -9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.092 -8.696 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.427 -7.430 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.380 -6.981 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.684 -8.729 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.844 -7.457 -9.770 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.793 -9.144 -9.206 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.502 -4.905 -9.400 1.00 0.00 N ATOM 1134 CA ILE A 65 -1.884 -4.055 -10.507 1.00 0.00 C ATOM 1135 C ILE A 65 -1.336 -4.657 -11.800 1.00 0.00 C ATOM 1136 O ILE A 65 -0.120 -4.789 -11.965 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.354 -2.605 -10.277 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.162 -1.827 -11.583 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.039 -2.642 -9.509 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.371 -1.768 -12.486 1.00 0.00 C ATOM 0 H ILE A 65 -0.505 -5.119 -9.374 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.970 -3.996 -10.582 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.115 -2.083 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.862 -0.808 -11.338 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.338 -2.277 -12.136 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.321 -1.625 -9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.195 -3.122 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.700 -3.206 -10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.129 -1.195 -13.381 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.663 -2.779 -12.770 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.195 -1.287 -11.959 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.232 -5.071 -12.714 1.00 0.00 N ATOM 1153 CA PRO A 66 -1.845 -5.689 -13.986 1.00 0.00 C ATOM 1154 C PRO A 66 -0.918 -4.797 -14.805 1.00 0.00 C ATOM 1155 O PRO A 66 -1.315 -3.737 -15.296 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.174 -5.889 -14.715 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.202 -5.905 -13.638 1.00 0.00 C ATOM 1158 CD PRO A 66 -3.698 -4.963 -12.584 1.00 0.00 C ATOM 0 HA PRO A 66 -1.290 -6.614 -13.831 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.359 -5.084 -15.427 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.179 -6.821 -15.280 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.172 -5.585 -14.018 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.332 -6.910 -13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.044 -3.944 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.037 -5.252 -11.589 1.00 0.00 H new ATOM 1166 N GLY A 67 0.321 -5.234 -14.938 1.00 0.00 N ATOM 1167 CA GLY A 67 1.309 -4.467 -15.662 1.00 0.00 C ATOM 1168 C GLY A 67 2.620 -4.396 -14.914 1.00 0.00 C ATOM 1169 O GLY A 67 3.640 -4.892 -15.388 1.00 0.00 O ATOM 0 H GLY A 67 0.663 -6.115 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.473 -4.917 -16.641 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.933 -3.458 -15.833 1.00 0.00 H new ATOM 1173 N GLU A 68 2.594 -3.793 -13.736 1.00 0.00 N ATOM 1174 CA GLU A 68 3.800 -3.673 -12.927 1.00 0.00 C ATOM 1175 C GLU A 68 3.794 -4.706 -11.805 1.00 0.00 C ATOM 1176 O GLU A 68 4.683 -5.553 -11.750 1.00 0.00 O ATOM 1177 CB GLU A 68 3.928 -2.257 -12.368 1.00 0.00 C ATOM 1178 CG GLU A 68 3.914 -1.193 -13.454 1.00 0.00 C ATOM 1179 CD GLU A 68 4.486 0.131 -12.997 1.00 0.00 C ATOM 1180 OE1 GLU A 68 5.714 0.329 -13.133 1.00 0.00 O ATOM 1181 OE2 GLU A 68 3.715 0.979 -12.514 1.00 0.00 O ATOM 0 H GLU A 68 1.759 -3.381 -13.320 1.00 0.00 H new ATOM 0 HA GLU A 68 4.666 -3.867 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.110 -2.070 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.855 -2.178 -11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.483 -1.551 -14.312 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.889 -1.041 -13.792 1.00 0.00 H new ATOM 1188 N GLN A 69 2.773 -4.635 -10.941 1.00 0.00 N ATOM 1189 CA GLN A 69 2.547 -5.601 -9.846 1.00 0.00 C ATOM 1190 C GLN A 69 3.823 -5.943 -9.053 1.00 0.00 C ATOM 1191 O GLN A 69 4.794 -5.181 -9.061 1.00 0.00 O ATOM 1192 CB GLN A 69 1.821 -6.863 -10.376 1.00 0.00 C ATOM 1193 CG GLN A 69 2.451 -7.536 -11.595 1.00 0.00 C ATOM 1194 CD GLN A 69 3.566 -8.507 -11.253 1.00 0.00 C ATOM 1195 OE1 GLN A 69 3.549 -9.150 -10.204 1.00 0.00 O ATOM 1196 NE2 GLN A 69 4.539 -8.621 -12.141 1.00 0.00 N ATOM 0 H GLN A 69 2.069 -3.898 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 69 1.894 -5.114 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.769 -7.594 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.796 -6.590 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.675 -8.068 -12.146 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.843 -6.767 -12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.514 -8.069 -12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.314 -9.261 -11.969 1.00 0.00 H new ATOM 1205 N HIS A 70 3.783 -7.059 -8.318 1.00 0.00 N ATOM 1206 CA HIS A 70 4.896 -7.481 -7.470 1.00 0.00 C ATOM 1207 C HIS A 70 5.075 -6.481 -6.328 1.00 0.00 C ATOM 1208 O HIS A 70 6.193 -6.130 -5.942 1.00 0.00 O ATOM 1209 CB HIS A 70 6.187 -7.646 -8.305 1.00 0.00 C ATOM 1210 CG HIS A 70 7.358 -8.243 -7.567 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.376 -9.533 -7.081 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.567 -7.714 -7.249 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.537 -9.767 -6.498 1.00 0.00 C ATOM 1214 NE2 HIS A 70 9.281 -8.682 -6.587 1.00 0.00 N ATOM 0 H HIS A 70 2.982 -7.690 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 70 4.674 -8.456 -7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.964 -8.273 -9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.480 -6.669 -8.688 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.906 -6.714 -7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.829 -10.694 -6.026 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.229 -8.579 -6.225 1.00 0.00 H new ATOM 1223 N PHE A 71 3.951 -6.004 -5.800 1.00 0.00 N ATOM 1224 CA PHE A 71 3.961 -5.101 -4.661 1.00 0.00 C ATOM 1225 C PHE A 71 3.361 -5.784 -3.441 1.00 0.00 C ATOM 1226 O PHE A 71 2.167 -6.078 -3.405 1.00 0.00 O ATOM 1227 CB PHE A 71 3.174 -3.822 -4.965 1.00 0.00 C ATOM 1228 CG PHE A 71 3.786 -2.957 -6.030 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.916 -2.200 -5.762 1.00 0.00 C ATOM 1230 CD2 PHE A 71 3.227 -2.897 -7.296 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.477 -1.398 -6.737 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.784 -2.096 -8.275 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.911 -1.346 -7.995 1.00 0.00 C ATOM 0 H PHE A 71 3.019 -6.231 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 71 4.998 -4.834 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.164 -4.095 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.083 -3.239 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.363 -2.238 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.347 -3.482 -7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.357 -0.813 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.339 -2.056 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.348 -0.720 -8.759 1.00 0.00 H new ATOM 1243 N TYR A 72 4.188 -6.043 -2.447 1.00 0.00 N ATOM 1244 CA TYR A 72 3.708 -6.633 -1.212 1.00 0.00 C ATOM 1245 C TYR A 72 3.630 -5.549 -0.142 1.00 0.00 C ATOM 1246 O TYR A 72 4.444 -4.626 -0.137 1.00 0.00 O ATOM 1247 CB TYR A 72 4.630 -7.774 -0.760 1.00 0.00 C ATOM 1248 CG TYR A 72 4.077 -8.568 0.403 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.200 -9.624 0.192 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.420 -8.254 1.710 1.00 0.00 C ATOM 1251 CE1 TYR A 72 2.678 -10.340 1.252 1.00 0.00 C ATOM 1252 CE2 TYR A 72 3.908 -8.968 2.774 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.037 -10.009 2.541 1.00 0.00 C ATOM 1254 OH TYR A 72 2.512 -10.709 3.603 1.00 0.00 O ATOM 0 H TYR A 72 5.190 -5.856 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 72 2.716 -7.055 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.802 -8.447 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.598 -7.359 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.922 -9.890 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.100 -7.436 1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.992 -11.155 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.189 -8.712 3.785 1.00 0.00 H new ATOM 0 HH TYR A 72 2.869 -10.348 4.441 1.00 0.00 H new ATOM 1264 N MET A 73 2.658 -5.656 0.755 1.00 0.00 N ATOM 1265 CA MET A 73 2.473 -4.660 1.800 1.00 0.00 C ATOM 1266 C MET A 73 2.597 -5.327 3.166 1.00 0.00 C ATOM 1267 O MET A 73 2.052 -6.412 3.388 1.00 0.00 O ATOM 1268 CB MET A 73 1.081 -4.037 1.674 1.00 0.00 C ATOM 1269 CG MET A 73 1.036 -2.519 1.804 1.00 0.00 C ATOM 1270 SD MET A 73 1.561 -1.658 0.307 1.00 0.00 S ATOM 1271 CE MET A 73 1.074 0.027 0.694 1.00 0.00 C ATOM 0 H MET A 73 1.986 -6.423 0.779 1.00 0.00 H new ATOM 0 HA MET A 73 3.233 -3.886 1.697 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.662 -4.316 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 73 0.436 -4.471 2.438 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.020 -2.213 2.054 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.674 -2.213 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.499 0.439 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.463 0.031 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.964 0.635 0.856 1.00 0.00 H new ATOM 1281 N LYS A 74 3.304 -4.683 4.081 1.00 0.00 N ATOM 1282 CA LYS A 74 3.424 -5.192 5.439 1.00 0.00 C ATOM 1283 C LYS A 74 3.653 -4.048 6.411 1.00 0.00 C ATOM 1284 O LYS A 74 4.594 -3.269 6.257 1.00 0.00 O ATOM 1285 CB LYS A 74 4.559 -6.219 5.538 1.00 0.00 C ATOM 1286 CG LYS A 74 4.900 -6.630 6.965 1.00 0.00 C ATOM 1287 CD LYS A 74 5.991 -7.687 7.000 1.00 0.00 C ATOM 1288 CE LYS A 74 5.532 -8.993 6.372 1.00 0.00 C ATOM 1289 NZ LYS A 74 4.346 -9.562 7.068 1.00 0.00 N ATOM 0 H LYS A 74 3.802 -3.810 3.909 1.00 0.00 H new ATOM 0 HA LYS A 74 2.492 -5.692 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.281 -7.108 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.451 -5.806 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.223 -5.755 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.006 -7.013 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.871 -7.319 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.291 -7.866 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.290 -8.825 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.349 -9.715 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.398 -10.601 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.331 -9.233 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.478 -9.251 6.586 1.00 0.00 H new ATOM 1303 N ALA A 75 2.773 -3.946 7.392 1.00 0.00 N ATOM 1304 CA ALA A 75 2.841 -2.893 8.383 1.00 0.00 C ATOM 1305 C ALA A 75 3.686 -3.315 9.579 1.00 0.00 C ATOM 1306 O ALA A 75 4.289 -4.388 9.571 1.00 0.00 O ATOM 1307 CB ALA A 75 1.437 -2.527 8.826 1.00 0.00 C ATOM 0 H ALA A 75 1.994 -4.591 7.521 1.00 0.00 H new ATOM 0 HA ALA A 75 3.318 -2.021 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.486 -1.734 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.863 -2.181 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.952 -3.402 9.258 1.00 0.00 H new ATOM 1313 N VAL A 76 3.721 -2.466 10.599 1.00 0.00 N ATOM 1314 CA VAL A 76 4.474 -2.752 11.814 1.00 0.00 C ATOM 1315 C VAL A 76 3.877 -3.949 12.547 1.00 0.00 C ATOM 1316 O VAL A 76 4.534 -4.972 12.732 1.00 0.00 O ATOM 1317 CB VAL A 76 4.499 -1.533 12.761 1.00 0.00 C ATOM 1318 CG1 VAL A 76 5.332 -1.826 13.998 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.030 -0.304 12.041 1.00 0.00 C ATOM 0 H VAL A 76 3.234 -1.570 10.608 1.00 0.00 H new ATOM 0 HA VAL A 76 5.497 -2.983 11.515 1.00 0.00 H new ATOM 0 HB VAL A 76 3.476 -1.331 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.335 -0.953 14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.905 -2.676 14.531 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.354 -2.060 13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.039 0.544 12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.044 -0.498 11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.389 -0.075 11.190 1.00 0.00 H new ATOM 1329 N ASN A 77 2.626 -3.818 12.957 1.00 0.00 N ATOM 1330 CA ASN A 77 1.932 -4.908 13.634 1.00 0.00 C ATOM 1331 C ASN A 77 0.514 -5.051 13.094 1.00 0.00 C ATOM 1332 O ASN A 77 0.092 -4.257 12.255 1.00 0.00 O ATOM 1333 CB ASN A 77 1.900 -4.695 15.152 1.00 0.00 C ATOM 1334 CG ASN A 77 1.240 -3.392 15.558 1.00 0.00 C ATOM 1335 OD1 ASN A 77 0.017 -3.292 15.591 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.043 -2.399 15.906 1.00 0.00 N ATOM 0 H ASN A 77 2.069 -2.972 12.835 1.00 0.00 H new ATOM 0 HA ASN A 77 2.484 -5.827 13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.368 -5.525 15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.920 -4.714 15.537 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.650 -1.510 16.216 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.055 -2.523 15.864 1.00 0.00 H new ATOM 1343 N ALA A 78 -0.196 -6.079 13.549 1.00 0.00 N ATOM 1344 CA ALA A 78 -1.571 -6.348 13.112 1.00 0.00 C ATOM 1345 C ALA A 78 -2.456 -5.095 13.150 1.00 0.00 C ATOM 1346 O ALA A 78 -3.198 -4.833 12.205 1.00 0.00 O ATOM 1347 CB ALA A 78 -2.183 -7.436 13.977 1.00 0.00 C ATOM 0 H ALA A 78 0.160 -6.750 14.229 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.521 -6.678 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.204 -7.631 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.592 -8.348 13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.193 -7.111 15.017 1.00 0.00 H new ATOM 1353 N ALA A 79 -2.376 -4.325 14.232 1.00 0.00 N ATOM 1354 CA ALA A 79 -3.169 -3.111 14.368 1.00 0.00 C ATOM 1355 C ALA A 79 -2.805 -2.097 13.294 1.00 0.00 C ATOM 1356 O ALA A 79 -3.675 -1.456 12.704 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.965 -2.520 15.743 1.00 0.00 C ATOM 0 H ALA A 79 -1.769 -4.522 15.027 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.221 -3.368 14.241 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.560 -1.612 15.841 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.277 -3.241 16.499 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.911 -2.280 15.883 1.00 0.00 H new ATOM 1363 N GLU A 80 -1.511 -1.965 13.042 1.00 0.00 N ATOM 1364 CA GLU A 80 -1.017 -1.103 11.980 1.00 0.00 C ATOM 1365 C GLU A 80 -1.508 -1.611 10.626 1.00 0.00 C ATOM 1366 O GLU A 80 -1.870 -0.837 9.741 1.00 0.00 O ATOM 1367 CB GLU A 80 0.508 -1.056 12.015 1.00 0.00 C ATOM 1368 CG GLU A 80 1.060 -0.526 13.326 1.00 0.00 C ATOM 1369 CD GLU A 80 0.824 0.958 13.530 1.00 0.00 C ATOM 1370 OE1 GLU A 80 0.084 1.570 12.731 1.00 0.00 O ATOM 1371 OE2 GLU A 80 1.375 1.513 14.504 1.00 0.00 O ATOM 0 H GLU A 80 -0.780 -2.448 13.563 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.399 -0.093 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.900 -2.058 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.865 -0.429 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.604 -1.074 14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.131 -0.724 13.366 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.525 -2.934 10.491 1.00 0.00 N ATOM 1379 CA ARG A 81 -2.063 -3.596 9.311 1.00 0.00 C ATOM 1380 C ARG A 81 -3.537 -3.235 9.133 1.00 0.00 C ATOM 1381 O ARG A 81 -3.993 -2.983 8.023 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.855 -5.123 9.440 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.619 -5.973 8.430 1.00 0.00 C ATOM 1384 CD ARG A 81 -4.014 -6.346 8.924 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.987 -7.260 10.072 1.00 0.00 N ATOM 1386 CZ ARG A 81 -5.022 -7.448 10.898 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -6.148 -6.766 10.723 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.931 -8.314 11.904 1.00 0.00 N ATOM 0 H ARG A 81 -1.166 -3.576 11.198 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.535 -3.256 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.791 -5.338 9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.149 -5.429 10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.703 -5.428 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.054 -6.882 8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.551 -5.439 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.571 -6.810 8.110 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.129 -7.782 10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.225 -6.097 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.936 -6.911 11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.068 -8.839 12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.724 -8.453 12.531 1.00 0.00 H new ATOM 1402 N GLN A 82 -4.262 -3.182 10.244 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.682 -2.854 10.227 1.00 0.00 C ATOM 1404 C GLN A 82 -5.901 -1.407 9.796 1.00 0.00 C ATOM 1405 O GLN A 82 -6.883 -1.098 9.132 1.00 0.00 O ATOM 1406 CB GLN A 82 -6.295 -3.098 11.611 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.793 -2.834 11.685 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.588 -3.649 10.682 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.183 -4.743 10.288 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -9.732 -3.127 10.273 1.00 0.00 N ATOM 0 H GLN A 82 -3.886 -3.364 11.175 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.176 -3.501 9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.104 -4.131 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.789 -2.462 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.147 -3.060 12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.979 -1.774 11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.032 -2.217 10.624 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.315 -3.634 9.607 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.974 -0.527 10.164 1.00 0.00 N ATOM 1420 CA ARG A 83 -5.074 0.880 9.793 1.00 0.00 C ATOM 1421 C ARG A 83 -5.057 1.049 8.274 1.00 0.00 C ATOM 1422 O ARG A 83 -5.863 1.792 7.710 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.926 1.679 10.412 1.00 0.00 C ATOM 1424 CG ARG A 83 -4.099 1.976 11.893 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.888 2.708 12.446 1.00 0.00 C ATOM 1426 NE ARG A 83 -3.168 3.364 13.722 1.00 0.00 N ATOM 1427 CZ ARG A 83 -2.222 3.747 14.579 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.954 3.423 14.365 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.549 4.434 15.666 1.00 0.00 N ATOM 0 H ARG A 83 -4.149 -0.762 10.716 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.022 1.259 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.997 1.127 10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.823 2.621 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.994 2.580 12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.246 1.045 12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.068 2.002 12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.556 3.453 11.723 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.142 3.538 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.699 2.878 13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.234 3.719 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.525 4.669 15.846 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.824 4.727 16.321 1.00 0.00 H new ATOM 1443 N TRP A 84 -4.146 0.343 7.612 1.00 0.00 N ATOM 1444 CA TRP A 84 -4.083 0.362 6.156 1.00 0.00 C ATOM 1445 C TRP A 84 -5.286 -0.349 5.565 1.00 0.00 C ATOM 1446 O TRP A 84 -5.803 0.047 4.529 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.775 -0.249 5.655 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.608 0.635 5.944 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.776 0.563 7.018 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -1.164 1.745 5.157 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.150 1.576 6.962 1.00 0.00 N ATOM 1452 CE2 TRP A 84 -0.065 2.312 5.826 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.588 2.314 3.952 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.612 3.425 5.335 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.914 3.415 3.464 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.174 3.961 4.156 1.00 0.00 C ATOM 0 H TRP A 84 -3.444 -0.247 8.059 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.106 1.400 5.824 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.622 -1.220 6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.842 -0.424 4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.835 -0.181 7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.879 1.752 7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.427 1.900 3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.452 3.849 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.231 3.863 2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.679 4.825 3.749 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.730 -1.394 6.244 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.936 -2.115 5.856 1.00 0.00 C ATOM 1469 C LEU A 85 -8.158 -1.203 5.883 1.00 0.00 C ATOM 1470 O LEU A 85 -9.087 -1.379 5.104 1.00 0.00 O ATOM 1471 CB LEU A 85 -7.150 -3.323 6.761 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.714 -4.655 6.164 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -5.270 -4.580 5.696 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.894 -5.763 7.187 1.00 0.00 C ATOM 0 H LEU A 85 -5.270 -1.766 7.075 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.803 -2.465 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.606 -3.163 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.208 -3.385 7.017 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.338 -4.877 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.975 -5.540 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.173 -3.803 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.625 -4.343 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.580 -6.713 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.288 -5.548 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.943 -5.825 7.476 1.00 0.00 H new ATOM 1486 N VAL A 86 -8.165 -0.249 6.795 1.00 0.00 N ATOM 1487 CA VAL A 86 -9.240 0.725 6.865 1.00 0.00 C ATOM 1488 C VAL A 86 -9.293 1.580 5.598 1.00 0.00 C ATOM 1489 O VAL A 86 -10.345 1.695 4.967 1.00 0.00 O ATOM 1490 CB VAL A 86 -9.061 1.635 8.097 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -10.002 2.827 8.050 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -9.276 0.843 9.375 1.00 0.00 C ATOM 0 H VAL A 86 -7.437 -0.127 7.499 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.179 0.178 6.954 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.040 2.016 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.849 3.447 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.800 3.415 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.034 2.476 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.146 1.499 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.285 0.430 9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.551 0.030 9.426 1.00 0.00 H new ATOM 1502 N ALA A 87 -8.160 2.162 5.220 1.00 0.00 N ATOM 1503 CA ALA A 87 -8.112 3.018 4.036 1.00 0.00 C ATOM 1504 C ALA A 87 -8.182 2.209 2.740 1.00 0.00 C ATOM 1505 O ALA A 87 -8.995 2.490 1.861 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.848 3.866 4.054 1.00 0.00 C ATOM 0 H ALA A 87 -7.271 2.060 5.709 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.987 3.667 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.822 4.500 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.842 4.491 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.973 3.215 4.060 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.336 1.193 2.641 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.234 0.375 1.434 1.00 0.00 C ATOM 1514 C LEU A 88 -8.437 -0.543 1.279 1.00 0.00 C ATOM 1515 O LEU A 88 -8.870 -0.833 0.166 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.943 -0.437 1.460 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.667 0.402 1.528 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.495 -0.439 2.006 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.365 1.017 0.170 1.00 0.00 C ATOM 0 H LEU A 88 -6.703 0.911 3.389 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.217 1.044 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.968 -1.108 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.904 -1.063 0.568 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.823 1.207 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.597 0.178 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.711 -0.832 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.335 -1.267 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.454 1.611 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.230 0.225 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.194 1.656 -0.133 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.970 -1.005 2.401 1.00 0.00 N ATOM 1532 CA GLY A 89 -10.133 -1.874 2.376 1.00 0.00 C ATOM 1533 C GLY A 89 -11.324 -1.203 1.733 1.00 0.00 C ATOM 1534 O GLY A 89 -12.150 -1.861 1.104 1.00 0.00 O ATOM 0 H GLY A 89 -8.617 -0.793 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.892 -2.787 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.388 -2.169 3.394 1.00 0.00 H new ATOM 1538 N SER A 90 -11.395 0.116 1.890 1.00 0.00 N ATOM 1539 CA SER A 90 -12.415 0.926 1.241 1.00 0.00 C ATOM 1540 C SER A 90 -12.355 0.728 -0.272 1.00 0.00 C ATOM 1541 O SER A 90 -13.379 0.702 -0.952 1.00 0.00 O ATOM 1542 CB SER A 90 -12.196 2.402 1.597 1.00 0.00 C ATOM 1543 OG SER A 90 -13.193 3.238 1.037 1.00 0.00 O ATOM 0 H SER A 90 -10.748 0.650 2.470 1.00 0.00 H new ATOM 0 HA SER A 90 -13.401 0.618 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.194 2.517 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.216 2.719 1.241 1.00 0.00 H new ATOM 0 HG SER A 90 -13.018 4.169 1.288 1.00 0.00 H new ATOM 1549 N SER A 91 -11.140 0.576 -0.786 1.00 0.00 N ATOM 1550 CA SER A 91 -10.934 0.348 -2.202 1.00 0.00 C ATOM 1551 C SER A 91 -11.403 -1.047 -2.619 1.00 0.00 C ATOM 1552 O SER A 91 -12.154 -1.182 -3.575 1.00 0.00 O ATOM 1553 CB SER A 91 -9.462 0.546 -2.552 1.00 0.00 C ATOM 1554 OG SER A 91 -9.021 1.833 -2.151 1.00 0.00 O ATOM 0 H SER A 91 -10.282 0.608 -0.236 1.00 0.00 H new ATOM 0 HA SER A 91 -11.533 1.073 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.860 -0.219 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.319 0.425 -3.626 1.00 0.00 H new ATOM 0 HG SER A 91 -8.192 1.749 -1.634 1.00 0.00 H new ATOM 1560 N LYS A 92 -10.973 -2.082 -1.892 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.320 -3.451 -2.242 1.00 0.00 C ATOM 1562 C LYS A 92 -12.821 -3.698 -2.129 1.00 0.00 C ATOM 1563 O LYS A 92 -13.405 -4.425 -2.940 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.546 -4.430 -1.353 1.00 0.00 C ATOM 1565 CG LYS A 92 -11.348 -5.662 -0.954 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.462 -6.840 -0.581 1.00 0.00 C ATOM 1567 CE LYS A 92 -9.899 -7.521 -1.818 1.00 0.00 C ATOM 1568 NZ LYS A 92 -10.975 -7.960 -2.749 1.00 0.00 N ATOM 0 H LYS A 92 -10.387 -1.993 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.040 -3.614 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.645 -4.748 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.223 -3.910 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.992 -5.414 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.000 -5.949 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.644 -6.496 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.036 -7.559 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.228 -6.836 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.304 -8.384 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.853 -8.969 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.902 -7.813 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.922 -7.405 -3.627 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.433 -3.095 -1.122 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.838 -3.296 -0.852 1.00 0.00 C ATOM 1584 C ALA A 93 -15.710 -2.597 -1.893 1.00 0.00 C ATOM 1585 O ALA A 93 -15.835 -1.374 -1.891 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.162 -2.813 0.551 1.00 0.00 C ATOM 0 H ALA A 93 -12.969 -2.457 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.057 -4.362 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.222 -2.966 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.571 -3.374 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.926 -1.752 0.634 1.00 0.00 H new