USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 95 LYS NZ :NH3+ 146:sc= 0.247 (180deg=-0.162) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0.246 USER MOD Set 2.1: A 90 THR OG1 : rot -61:sc= 0.186 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 96 GLN :FLIP amide:sc= -4.9! C(o=-7.3!,f=-4.7!) USER MOD Set 3.1: A 18 MET CE :methyl 172:sc= -2.45 (180deg=-0.84) USER MOD Set 3.2: A 39 MET CE :methyl -164:sc= -1.05 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 19 HIS : no HE2:sc= 0.37 K(o=0.37,f=-3.3!) USER MOD Single : A 20 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.762 F(o=-0.13,f=0.76) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 29 MET CE :methyl 169:sc= -0.225 (180deg=-0.44) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -28:sc= -1.32 USER MOD Single : A 37 SER OG : rot -86:sc= 0.198 USER MOD Single : A 46 GLN : amide:sc= -0.0889 K(o=-0.089,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= 0.248 K(o=0.25,f=-3.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.51) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.404 F(o=-0.34,f=0.4) USER MOD Single : A 83 MET CE :methyl 151:sc= -0.886 (180deg=-1.43!) USER MOD Single : A 85 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -176:sc= 0 (180deg=-0.0362) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 104 THR OG1 : rot -119:sc= 0.563 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 98:sc= -1.11! USER MOD Single : A 110 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.4) USER MOD Single : A 113 CYS SG : rot -46:sc= -3.64! USER MOD Single : A 116 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.0025) USER MOD Single : A 117 GLN : amide:sc= -2.72 K(o=-2.7,f=-3.5) USER MOD Single : A 119 TYR OH : rot 93:sc= 0.0538 USER MOD Single : A 124 ASN :FLIP amide:sc= -3.53 F(o=-7.3!,f=-3.5) USER MOD Single : A 125 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.560 -9.566 0.443 1.00 0.00 N ATOM 103 CA ILE A 11 15.670 -8.388 -0.409 1.00 0.00 C ATOM 104 C ILE A 11 16.019 -8.777 -1.842 1.00 0.00 C ATOM 105 O ILE A 11 15.225 -8.578 -2.760 1.00 0.00 O ATOM 106 CB ILE A 11 16.735 -7.409 0.119 1.00 0.00 C ATOM 107 CG1 ILE A 11 16.363 -6.925 1.522 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.888 -6.231 -0.831 1.00 0.00 C ATOM 109 CD1 ILE A 11 17.281 -5.846 2.052 1.00 0.00 C ATOM 0 HA ILE A 11 14.697 -7.896 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 11 17.691 -7.930 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.341 -6.547 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 11 16.379 -7.773 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.644 -5.548 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.194 -6.593 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.936 -5.707 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.958 -5.551 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 11 18.301 -6.227 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.247 -4.981 1.389 1.00 0.00 H new ATOM 121 N GLU A 12 17.213 -9.334 -2.024 1.00 0.00 N ATOM 122 CA GLU A 12 17.666 -9.751 -3.346 1.00 0.00 C ATOM 123 C GLU A 12 16.545 -10.448 -4.111 1.00 0.00 C ATOM 124 O GLU A 12 16.374 -10.236 -5.311 1.00 0.00 O ATOM 125 CB GLU A 12 18.872 -10.685 -3.224 1.00 0.00 C ATOM 126 CG GLU A 12 20.168 -9.966 -2.887 1.00 0.00 C ATOM 127 CD GLU A 12 21.396 -10.776 -3.251 1.00 0.00 C ATOM 128 OE1 GLU A 12 21.725 -11.722 -2.505 1.00 0.00 O ATOM 129 OE2 GLU A 12 22.030 -10.465 -4.281 1.00 0.00 O ATOM 0 H GLU A 12 17.883 -9.506 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 12 17.960 -8.859 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.668 -11.429 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.999 -11.225 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.197 -9.012 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.188 -9.742 -1.820 1.00 0.00 H new ATOM 136 N GLN A 13 15.784 -11.280 -3.407 1.00 0.00 N ATOM 137 CA GLN A 13 14.680 -12.008 -4.019 1.00 0.00 C ATOM 138 C GLN A 13 13.588 -11.051 -4.485 1.00 0.00 C ATOM 139 O GLN A 13 12.956 -11.270 -5.520 1.00 0.00 O ATOM 140 CB GLN A 13 14.099 -13.022 -3.032 1.00 0.00 C ATOM 141 CG GLN A 13 15.007 -14.214 -2.778 1.00 0.00 C ATOM 142 CD GLN A 13 14.321 -15.315 -1.994 1.00 0.00 C ATOM 143 OE1 GLN A 13 13.404 -15.057 -1.213 1.00 0.00 O ATOM 144 NE2 GLN A 13 14.761 -16.551 -2.198 1.00 0.00 N ATOM 0 H GLN A 13 15.912 -11.466 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 13 15.067 -12.539 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.898 -12.521 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.142 -13.379 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.351 -14.613 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.891 -13.883 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.523 -16.719 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.337 -17.332 -1.698 1.00 0.00 H new ATOM 153 N LEU A 14 13.370 -9.990 -3.716 1.00 0.00 N ATOM 154 CA LEU A 14 12.353 -8.999 -4.049 1.00 0.00 C ATOM 155 C LEU A 14 12.787 -8.155 -5.244 1.00 0.00 C ATOM 156 O LEU A 14 12.112 -8.126 -6.274 1.00 0.00 O ATOM 157 CB LEU A 14 12.079 -8.096 -2.845 1.00 0.00 C ATOM 158 CG LEU A 14 10.990 -8.572 -1.883 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.290 -8.109 -0.466 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.625 -8.071 -2.333 1.00 0.00 C ATOM 0 H LEU A 14 13.884 -9.794 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 14 11.438 -9.528 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.006 -7.981 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.804 -7.107 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 14 10.975 -9.662 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.504 -8.457 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.248 -8.517 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.333 -7.020 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.862 -8.419 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.626 -6.981 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.408 -8.453 -3.330 1.00 0.00 H new ATOM 172 N LEU A 15 13.917 -7.472 -5.100 1.00 0.00 N ATOM 173 CA LEU A 15 14.442 -6.629 -6.168 1.00 0.00 C ATOM 174 C LEU A 15 14.133 -7.228 -7.537 1.00 0.00 C ATOM 175 O LEU A 15 13.594 -6.552 -8.412 1.00 0.00 O ATOM 176 CB LEU A 15 15.953 -6.450 -6.007 1.00 0.00 C ATOM 177 CG LEU A 15 16.400 -5.352 -5.041 1.00 0.00 C ATOM 178 CD1 LEU A 15 16.463 -4.009 -5.752 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.462 -5.281 -3.845 1.00 0.00 C ATOM 0 H LEU A 15 14.487 -7.485 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 15 13.957 -5.655 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.377 -7.396 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.380 -6.240 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 15 17.399 -5.596 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.783 -3.240 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.175 -4.066 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.477 -3.757 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.795 -4.494 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.451 -5.061 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.467 -6.237 -3.321 1.00 0.00 H new ATOM 191 N GLU A 16 14.475 -8.500 -7.712 1.00 0.00 N ATOM 192 CA GLU A 16 14.232 -9.189 -8.973 1.00 0.00 C ATOM 193 C GLU A 16 12.767 -9.075 -9.382 1.00 0.00 C ATOM 194 O GLU A 16 12.452 -8.644 -10.492 1.00 0.00 O ATOM 195 CB GLU A 16 14.627 -10.663 -8.859 1.00 0.00 C ATOM 196 CG GLU A 16 16.086 -10.875 -8.488 1.00 0.00 C ATOM 197 CD GLU A 16 16.626 -12.203 -8.984 1.00 0.00 C ATOM 198 OE1 GLU A 16 15.820 -13.135 -9.184 1.00 0.00 O ATOM 199 OE2 GLU A 16 17.857 -12.308 -9.172 1.00 0.00 O ATOM 0 H GLU A 16 14.921 -9.074 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 16 14.844 -8.714 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.997 -11.142 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.427 -11.159 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.685 -10.065 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.193 -10.825 -7.404 1.00 0.00 H new ATOM 206 N PHE A 17 11.874 -9.464 -8.478 1.00 0.00 N ATOM 207 CA PHE A 17 10.441 -9.407 -8.744 1.00 0.00 C ATOM 208 C PHE A 17 10.000 -7.977 -9.043 1.00 0.00 C ATOM 209 O PHE A 17 9.188 -7.741 -9.936 1.00 0.00 O ATOM 210 CB PHE A 17 9.657 -9.956 -7.551 1.00 0.00 C ATOM 211 CG PHE A 17 8.287 -9.359 -7.408 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.242 -9.787 -8.212 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.043 -8.369 -6.470 1.00 0.00 C ATOM 214 CE1 PHE A 17 5.980 -9.239 -8.083 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.782 -7.818 -6.336 1.00 0.00 C ATOM 216 CZ PHE A 17 5.750 -8.252 -7.144 1.00 0.00 C ATOM 0 H PHE A 17 12.117 -9.822 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 17 10.234 -10.023 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.564 -11.037 -7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.223 -9.770 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.416 -10.558 -8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.847 -8.024 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.174 -9.582 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.604 -7.048 -5.599 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.765 -7.821 -7.042 1.00 0.00 H new ATOM 226 N MET A 18 10.542 -7.028 -8.287 1.00 0.00 N ATOM 227 CA MET A 18 10.205 -5.621 -8.471 1.00 0.00 C ATOM 228 C MET A 18 10.536 -5.163 -9.888 1.00 0.00 C ATOM 229 O MET A 18 9.871 -4.285 -10.438 1.00 0.00 O ATOM 230 CB MET A 18 10.956 -4.758 -7.455 1.00 0.00 C ATOM 231 CG MET A 18 10.264 -4.669 -6.104 1.00 0.00 C ATOM 232 SD MET A 18 11.402 -4.255 -4.768 1.00 0.00 S ATOM 233 CE MET A 18 11.062 -2.508 -4.563 1.00 0.00 C ATOM 0 H MET A 18 11.215 -7.207 -7.542 1.00 0.00 H new ATOM 0 HA MET A 18 9.133 -5.506 -8.313 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.958 -5.165 -7.315 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.074 -3.753 -7.861 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.477 -3.917 -6.152 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.782 -5.621 -5.884 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.583 -2.137 -3.680 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.407 -1.965 -5.443 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.989 -2.358 -4.441 1.00 0.00 H new ATOM 243 N HIS A 19 11.567 -5.763 -10.473 1.00 0.00 N ATOM 244 CA HIS A 19 11.986 -5.416 -11.827 1.00 0.00 C ATOM 245 C HIS A 19 10.955 -5.882 -12.850 1.00 0.00 C ATOM 246 O HIS A 19 10.944 -5.415 -13.989 1.00 0.00 O ATOM 247 CB HIS A 19 13.347 -6.039 -12.137 1.00 0.00 C ATOM 248 CG HIS A 19 14.062 -5.380 -13.277 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.438 -4.530 -14.165 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.355 -5.448 -13.669 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.316 -4.105 -15.056 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.488 -4.647 -14.777 1.00 0.00 N ATOM 0 H HIS A 19 12.128 -6.492 -10.032 1.00 0.00 H new ATOM 0 HA HIS A 19 12.069 -4.331 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 19 13.973 -5.985 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.210 -7.096 -12.367 1.00 0.00 H new ATOM 0 HD1 HIS A 19 12.452 -4.270 -14.138 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.137 -6.025 -13.198 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.111 -3.430 -15.873 1.00 0.00 H new ATOM 261 N GLN A 20 10.092 -6.804 -12.436 1.00 0.00 N ATOM 262 CA GLN A 20 9.058 -7.333 -13.318 1.00 0.00 C ATOM 263 C GLN A 20 7.867 -6.384 -13.391 1.00 0.00 C ATOM 264 O GLN A 20 7.153 -6.342 -14.394 1.00 0.00 O ATOM 265 CB GLN A 20 8.601 -8.710 -12.834 1.00 0.00 C ATOM 266 CG GLN A 20 9.622 -9.810 -13.072 1.00 0.00 C ATOM 267 CD GLN A 20 9.946 -9.997 -14.542 1.00 0.00 C ATOM 268 OE1 GLN A 20 11.080 -9.781 -14.971 1.00 0.00 O ATOM 269 NE2 GLN A 20 8.950 -10.400 -15.321 1.00 0.00 N ATOM 0 H GLN A 20 10.088 -7.200 -11.496 1.00 0.00 H new ATOM 0 HA GLN A 20 9.482 -7.430 -14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.380 -8.656 -11.768 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.672 -8.973 -13.339 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.537 -9.575 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.242 -10.747 -12.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.026 -10.567 -14.922 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.108 -10.543 -16.318 1.00 0.00 H new ATOM 278 N LEU A 21 7.656 -5.624 -12.322 1.00 0.00 N ATOM 279 CA LEU A 21 6.550 -4.675 -12.264 1.00 0.00 C ATOM 280 C LEU A 21 6.979 -3.306 -12.781 1.00 0.00 C ATOM 281 O LEU A 21 8.097 -2.847 -12.542 1.00 0.00 O ATOM 282 CB LEU A 21 6.032 -4.552 -10.830 1.00 0.00 C ATOM 283 CG LEU A 21 5.899 -5.860 -10.050 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.129 -5.635 -8.758 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.219 -6.922 -10.901 1.00 0.00 C ATOM 0 H LEU A 21 8.236 -5.647 -11.484 1.00 0.00 H new ATOM 0 HA LEU A 21 5.749 -5.049 -12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.700 -3.890 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.056 -4.068 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 21 6.899 -6.213 -9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.044 -6.577 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.657 -4.908 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.133 -5.259 -8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.133 -7.846 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.225 -6.578 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.811 -7.104 -11.798 1.00 0.00 H new ATOM 297 N PRO A 22 6.072 -2.635 -13.506 1.00 0.00 N ATOM 298 CA PRO A 22 6.333 -1.307 -14.069 1.00 0.00 C ATOM 299 C PRO A 22 6.417 -0.228 -12.995 1.00 0.00 C ATOM 300 O PRO A 22 7.226 0.694 -13.091 1.00 0.00 O ATOM 301 CB PRO A 22 5.126 -1.064 -14.979 1.00 0.00 C ATOM 302 CG PRO A 22 4.042 -1.907 -14.402 1.00 0.00 C ATOM 303 CD PRO A 22 4.720 -3.121 -13.831 1.00 0.00 C ATOM 0 HA PRO A 22 7.291 -1.265 -14.588 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.845 -0.011 -14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.343 -1.348 -16.009 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.496 -1.365 -13.629 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.318 -2.188 -15.166 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.203 -3.491 -12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.749 -3.940 -14.549 1.00 0.00 H new ATOM 311 N ALA A 23 5.576 -0.350 -11.973 1.00 0.00 N ATOM 312 CA ALA A 23 5.558 0.614 -10.880 1.00 0.00 C ATOM 313 C ALA A 23 6.898 0.645 -10.153 1.00 0.00 C ATOM 314 O ALA A 23 7.317 1.687 -9.649 1.00 0.00 O ATOM 315 CB ALA A 23 4.435 0.287 -9.907 1.00 0.00 C ATOM 0 H ALA A 23 4.899 -1.107 -11.879 1.00 0.00 H new ATOM 0 HA ALA A 23 5.381 1.603 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.433 1.015 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.479 0.323 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.587 -0.712 -9.498 1.00 0.00 H new ATOM 321 N PHE A 24 7.565 -0.502 -10.103 1.00 0.00 N ATOM 322 CA PHE A 24 8.858 -0.606 -9.436 1.00 0.00 C ATOM 323 C PHE A 24 9.999 -0.384 -10.424 1.00 0.00 C ATOM 324 O PHE A 24 11.141 -0.151 -10.028 1.00 0.00 O ATOM 325 CB PHE A 24 9.004 -1.976 -8.770 1.00 0.00 C ATOM 326 CG PHE A 24 8.222 -2.109 -7.494 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.363 -1.176 -6.480 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.347 -3.167 -7.309 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.645 -1.296 -5.305 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.627 -3.293 -6.136 1.00 0.00 C ATOM 331 CZ PHE A 24 6.775 -2.355 -5.133 1.00 0.00 C ATOM 0 H PHE A 24 7.232 -1.373 -10.516 1.00 0.00 H new ATOM 0 HA PHE A 24 8.907 0.169 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.678 -2.747 -9.468 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.058 -2.159 -8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.041 -0.346 -6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.226 -3.902 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.764 -0.562 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.950 -4.124 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.212 -2.449 -4.216 1.00 0.00 H new ATOM 341 N ALA A 25 9.682 -0.459 -11.712 1.00 0.00 N ATOM 342 CA ALA A 25 10.679 -0.265 -12.757 1.00 0.00 C ATOM 343 C ALA A 25 10.982 1.216 -12.958 1.00 0.00 C ATOM 344 O ALA A 25 12.080 1.583 -13.375 1.00 0.00 O ATOM 345 CB ALA A 25 10.206 -0.891 -14.061 1.00 0.00 C ATOM 0 H ALA A 25 8.742 -0.653 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 25 11.599 -0.758 -12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.961 -0.738 -14.833 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.047 -1.959 -13.915 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.271 -0.424 -14.371 1.00 0.00 H new ATOM 351 N ASN A 26 10.002 2.062 -12.660 1.00 0.00 N ATOM 352 CA ASN A 26 10.164 3.503 -12.810 1.00 0.00 C ATOM 353 C ASN A 26 11.426 3.985 -12.100 1.00 0.00 C ATOM 354 O ASN A 26 12.221 4.735 -12.667 1.00 0.00 O ATOM 355 CB ASN A 26 8.942 4.236 -12.254 1.00 0.00 C ATOM 356 CG ASN A 26 9.272 5.640 -11.785 1.00 0.00 C ATOM 357 OD1 ASN A 26 9.079 6.617 -12.663 1.00 0.00 O flip ATOM 358 ND2 ASN A 26 9.696 5.843 -10.647 1.00 0.00 N flip ATOM 0 H ASN A 26 9.087 1.774 -12.313 1.00 0.00 H new ATOM 0 HA ASN A 26 10.259 3.724 -13.873 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.171 4.285 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.528 3.666 -11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.829 5.061 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.914 6.793 -10.346 1.00 0.00 H new ATOM 365 N MET A 27 11.603 3.549 -10.857 1.00 0.00 N ATOM 366 CA MET A 27 12.769 3.935 -10.071 1.00 0.00 C ATOM 367 C MET A 27 13.924 2.966 -10.302 1.00 0.00 C ATOM 368 O MET A 27 13.760 1.928 -10.944 1.00 0.00 O ATOM 369 CB MET A 27 12.415 3.979 -8.583 1.00 0.00 C ATOM 370 CG MET A 27 11.320 3.001 -8.189 1.00 0.00 C ATOM 371 SD MET A 27 9.667 3.690 -8.394 1.00 0.00 S ATOM 372 CE MET A 27 9.026 3.535 -6.729 1.00 0.00 C ATOM 0 H MET A 27 10.954 2.929 -10.373 1.00 0.00 H new ATOM 0 HA MET A 27 13.081 4.929 -10.393 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.310 3.764 -7.999 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.099 4.989 -8.323 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.410 2.098 -8.793 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.460 2.705 -7.149 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.007 3.921 -6.694 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.027 2.485 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.653 4.105 -6.043 1.00 0.00 H new ATOM 382 N THR A 28 15.095 3.312 -9.774 1.00 0.00 N ATOM 383 CA THR A 28 16.278 2.474 -9.924 1.00 0.00 C ATOM 384 C THR A 28 16.345 1.416 -8.829 1.00 0.00 C ATOM 385 O THR A 28 15.468 1.343 -7.969 1.00 0.00 O ATOM 386 CB THR A 28 17.569 3.314 -9.891 1.00 0.00 C ATOM 387 OG1 THR A 28 18.707 2.472 -10.106 1.00 0.00 O ATOM 388 CG2 THR A 28 17.710 4.035 -8.559 1.00 0.00 C ATOM 0 H THR A 28 15.249 4.167 -9.239 1.00 0.00 H new ATOM 0 HA THR A 28 16.197 1.984 -10.894 1.00 0.00 H new ATOM 0 HB THR A 28 17.513 4.058 -10.686 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.523 3.014 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.629 4.622 -8.558 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.857 4.697 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.746 3.304 -7.751 1.00 0.00 H new ATOM 396 N MET A 29 17.391 0.597 -8.867 1.00 0.00 N ATOM 397 CA MET A 29 17.572 -0.457 -7.876 1.00 0.00 C ATOM 398 C MET A 29 17.770 0.135 -6.484 1.00 0.00 C ATOM 399 O MET A 29 17.132 -0.292 -5.521 1.00 0.00 O ATOM 400 CB MET A 29 18.771 -1.333 -8.245 1.00 0.00 C ATOM 401 CG MET A 29 18.715 -2.726 -7.639 1.00 0.00 C ATOM 402 SD MET A 29 19.689 -3.927 -8.566 1.00 0.00 S ATOM 403 CE MET A 29 18.626 -5.366 -8.478 1.00 0.00 C ATOM 0 H MET A 29 18.126 0.643 -9.573 1.00 0.00 H new ATOM 0 HA MET A 29 16.672 -1.071 -7.866 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.827 -1.420 -9.330 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.686 -0.839 -7.917 1.00 0.00 H new ATOM 0 HG2 MET A 29 19.077 -2.686 -6.612 1.00 0.00 H new ATOM 0 HG3 MET A 29 17.678 -3.059 -7.599 1.00 0.00 H new ATOM 0 HE1 MET A 29 18.991 -6.131 -9.163 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.629 -5.759 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 29 17.610 -5.085 -8.756 1.00 0.00 H new ATOM 413 N SER A 30 18.657 1.119 -6.384 1.00 0.00 N ATOM 414 CA SER A 30 18.941 1.766 -5.108 1.00 0.00 C ATOM 415 C SER A 30 17.654 2.021 -4.330 1.00 0.00 C ATOM 416 O SER A 30 17.507 1.582 -3.190 1.00 0.00 O ATOM 417 CB SER A 30 19.682 3.085 -5.335 1.00 0.00 C ATOM 418 OG SER A 30 21.020 2.855 -5.743 1.00 0.00 O ATOM 0 H SER A 30 19.192 1.486 -7.171 1.00 0.00 H new ATOM 0 HA SER A 30 19.573 1.098 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.163 3.671 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.674 3.673 -4.417 1.00 0.00 H new ATOM 0 HG SER A 30 21.471 3.713 -5.883 1.00 0.00 H new ATOM 424 N VAL A 31 16.723 2.735 -4.956 1.00 0.00 N ATOM 425 CA VAL A 31 15.447 3.048 -4.324 1.00 0.00 C ATOM 426 C VAL A 31 14.714 1.778 -3.905 1.00 0.00 C ATOM 427 O VAL A 31 14.292 1.643 -2.757 1.00 0.00 O ATOM 428 CB VAL A 31 14.540 3.864 -5.264 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.106 3.866 -4.756 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.065 5.285 -5.409 1.00 0.00 C ATOM 0 H VAL A 31 16.829 3.107 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 31 15.671 3.644 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 31 14.550 3.394 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.481 4.448 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.735 2.842 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.073 4.310 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.412 5.848 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.086 5.767 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.073 5.260 -5.823 1.00 0.00 H new ATOM 440 N ARG A 32 14.567 0.850 -4.845 1.00 0.00 N ATOM 441 CA ARG A 32 13.884 -0.410 -4.574 1.00 0.00 C ATOM 442 C ARG A 32 14.352 -1.008 -3.250 1.00 0.00 C ATOM 443 O ARG A 32 13.571 -1.145 -2.309 1.00 0.00 O ATOM 444 CB ARG A 32 14.131 -1.403 -5.711 1.00 0.00 C ATOM 445 CG ARG A 32 13.483 -0.998 -7.024 1.00 0.00 C ATOM 446 CD ARG A 32 13.882 -1.935 -8.154 1.00 0.00 C ATOM 447 NE ARG A 32 13.864 -1.266 -9.452 1.00 0.00 N ATOM 448 CZ ARG A 32 14.554 -1.687 -10.506 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.312 -2.771 -10.416 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.486 -1.024 -11.653 1.00 0.00 N ATOM 0 H ARG A 32 14.911 0.947 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 32 12.815 -0.208 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.205 -1.509 -5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.753 -2.382 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.399 -1.002 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.774 0.022 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.880 -2.329 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.202 -2.787 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 32 13.290 -0.429 -9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.366 -3.284 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.841 -3.092 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.903 -0.190 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.016 -1.348 -12.462 1.00 0.00 H new ATOM 464 N ARG A 33 15.632 -1.363 -3.187 1.00 0.00 N ATOM 465 CA ARG A 33 16.204 -1.948 -1.981 1.00 0.00 C ATOM 466 C ARG A 33 15.831 -1.127 -0.749 1.00 0.00 C ATOM 467 O ARG A 33 15.340 -1.666 0.242 1.00 0.00 O ATOM 468 CB ARG A 33 17.726 -2.040 -2.105 1.00 0.00 C ATOM 469 CG ARG A 33 18.208 -3.332 -2.744 1.00 0.00 C ATOM 470 CD ARG A 33 19.677 -3.586 -2.447 1.00 0.00 C ATOM 471 NE ARG A 33 20.233 -4.637 -3.294 1.00 0.00 N ATOM 472 CZ ARG A 33 21.529 -4.756 -3.564 1.00 0.00 C ATOM 473 NH1 ARG A 33 22.397 -3.893 -3.054 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.958 -5.739 -4.344 1.00 0.00 N ATOM 0 H ARG A 33 16.292 -1.255 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 33 15.795 -2.952 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.086 -1.197 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.169 -1.948 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.612 -4.166 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.057 -3.284 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.241 -2.665 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.792 -3.866 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 33 19.592 -5.318 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.071 -3.136 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.391 -3.986 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.293 -6.405 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.953 -5.829 -4.550 1.00 0.00 H new ATOM 488 N GLU A 34 16.071 0.178 -0.820 1.00 0.00 N ATOM 489 CA GLU A 34 15.762 1.072 0.289 1.00 0.00 C ATOM 490 C GLU A 34 14.317 0.892 0.747 1.00 0.00 C ATOM 491 O GLU A 34 14.046 0.742 1.939 1.00 0.00 O ATOM 492 CB GLU A 34 16.002 2.528 -0.117 1.00 0.00 C ATOM 493 CG GLU A 34 17.471 2.882 -0.273 1.00 0.00 C ATOM 494 CD GLU A 34 17.679 4.266 -0.856 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.164 5.240 -0.268 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.356 4.375 -1.899 1.00 0.00 O ATOM 0 H GLU A 34 16.478 0.639 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 34 16.422 0.820 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.488 2.723 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.557 3.183 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.960 2.824 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.952 2.145 -0.916 1.00 0.00 H new ATOM 503 N LEU A 35 13.394 0.909 -0.208 1.00 0.00 N ATOM 504 CA LEU A 35 11.976 0.748 0.096 1.00 0.00 C ATOM 505 C LEU A 35 11.744 -0.470 0.984 1.00 0.00 C ATOM 506 O LEU A 35 11.043 -0.390 1.993 1.00 0.00 O ATOM 507 CB LEU A 35 11.170 0.612 -1.197 1.00 0.00 C ATOM 508 CG LEU A 35 11.031 1.881 -2.039 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.699 1.532 -3.481 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.967 2.797 -1.451 1.00 0.00 C ATOM 0 H LEU A 35 13.602 1.033 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 35 11.642 1.635 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.635 -0.159 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.171 0.257 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 35 11.985 2.409 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.604 2.448 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.496 0.916 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.759 0.981 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.882 3.695 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.009 2.277 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.248 3.075 -0.435 1.00 0.00 H new ATOM 522 N CYS A 36 12.338 -1.595 0.602 1.00 0.00 N ATOM 523 CA CYS A 36 12.197 -2.831 1.365 1.00 0.00 C ATOM 524 C CYS A 36 12.448 -2.585 2.849 1.00 0.00 C ATOM 525 O CYS A 36 11.988 -3.345 3.701 1.00 0.00 O ATOM 526 CB CYS A 36 13.167 -3.891 0.841 1.00 0.00 C ATOM 527 SG CYS A 36 12.960 -5.520 1.599 1.00 0.00 S ATOM 0 H CYS A 36 12.921 -1.677 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 36 11.175 -3.191 1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.038 -3.985 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.188 -3.550 1.011 1.00 0.00 H new ATOM 0 HG CYS A 36 12.474 -5.383 2.797 1.00 0.00 H new ATOM 533 N SER A 37 13.181 -1.519 3.152 1.00 0.00 N ATOM 534 CA SER A 37 13.498 -1.175 4.533 1.00 0.00 C ATOM 535 C SER A 37 12.239 -0.772 5.295 1.00 0.00 C ATOM 536 O SER A 37 12.082 -1.093 6.472 1.00 0.00 O ATOM 537 CB SER A 37 14.521 -0.039 4.577 1.00 0.00 C ATOM 538 OG SER A 37 13.879 1.224 4.607 1.00 0.00 O ATOM 0 H SER A 37 13.567 -0.878 2.459 1.00 0.00 H new ATOM 0 HA SER A 37 13.925 -2.056 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.154 -0.150 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 15.173 -0.099 3.706 1.00 0.00 H new ATOM 0 HG SER A 37 13.687 1.515 3.691 1.00 0.00 H new ATOM 544 N VAL A 38 11.344 -0.064 4.613 1.00 0.00 N ATOM 545 CA VAL A 38 10.098 0.384 5.223 1.00 0.00 C ATOM 546 C VAL A 38 8.892 -0.253 4.541 1.00 0.00 C ATOM 547 O VAL A 38 7.784 0.280 4.593 1.00 0.00 O ATOM 548 CB VAL A 38 9.960 1.917 5.159 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.052 2.586 5.979 1.00 0.00 C ATOM 550 CG2 VAL A 38 9.998 2.394 3.715 1.00 0.00 C ATOM 0 H VAL A 38 11.459 0.212 3.638 1.00 0.00 H new ATOM 0 HA VAL A 38 10.128 0.073 6.267 1.00 0.00 H new ATOM 0 HB VAL A 38 8.997 2.197 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.938 3.669 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.973 2.267 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.028 2.302 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.899 3.479 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.946 2.104 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.176 1.941 3.160 1.00 0.00 H new ATOM 560 N MET A 39 9.116 -1.396 3.902 1.00 0.00 N ATOM 561 CA MET A 39 8.047 -2.107 3.211 1.00 0.00 C ATOM 562 C MET A 39 7.212 -2.922 4.193 1.00 0.00 C ATOM 563 O MET A 39 7.715 -3.846 4.832 1.00 0.00 O ATOM 564 CB MET A 39 8.629 -3.025 2.134 1.00 0.00 C ATOM 565 CG MET A 39 8.773 -2.355 0.777 1.00 0.00 C ATOM 566 SD MET A 39 8.608 -3.516 -0.592 1.00 0.00 S ATOM 567 CE MET A 39 9.013 -2.461 -1.982 1.00 0.00 C ATOM 0 H MET A 39 10.028 -1.850 3.848 1.00 0.00 H new ATOM 0 HA MET A 39 7.400 -1.368 2.738 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.607 -3.380 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.990 -3.902 2.031 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.018 -1.575 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.746 -1.867 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.687 -2.937 -2.907 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.508 -1.502 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.091 -2.302 -2.016 1.00 0.00 H new ATOM 577 N ILE A 40 5.935 -2.573 4.309 1.00 0.00 N ATOM 578 CA ILE A 40 5.031 -3.273 5.213 1.00 0.00 C ATOM 579 C ILE A 40 4.463 -4.529 4.560 1.00 0.00 C ATOM 580 O ILE A 40 4.279 -4.580 3.344 1.00 0.00 O ATOM 581 CB ILE A 40 3.867 -2.368 5.658 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.387 -1.220 6.525 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.824 -3.179 6.413 1.00 0.00 C ATOM 584 CD1 ILE A 40 4.793 0.002 5.731 1.00 0.00 C ATOM 0 H ILE A 40 5.503 -1.810 3.788 1.00 0.00 H new ATOM 0 HA ILE A 40 5.616 -3.555 6.088 1.00 0.00 H new ATOM 0 HB ILE A 40 3.397 -1.944 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.615 -0.938 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.244 -1.570 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.008 -2.525 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.435 -3.965 5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.281 -3.629 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.151 0.775 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.587 -0.265 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.933 0.377 5.176 1.00 0.00 H new ATOM 596 N PHE A 41 4.186 -5.540 5.376 1.00 0.00 N ATOM 597 CA PHE A 41 3.638 -6.796 4.878 1.00 0.00 C ATOM 598 C PHE A 41 2.155 -6.916 5.219 1.00 0.00 C ATOM 599 O PHE A 41 1.778 -6.951 6.390 1.00 0.00 O ATOM 600 CB PHE A 41 4.405 -7.981 5.468 1.00 0.00 C ATOM 601 CG PHE A 41 5.815 -8.093 4.962 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.069 -8.268 3.612 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.886 -8.025 5.838 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.366 -8.371 3.143 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.185 -8.127 5.376 1.00 0.00 C ATOM 606 CZ PHE A 41 8.425 -8.301 4.027 1.00 0.00 C ATOM 0 H PHE A 41 4.332 -5.514 6.385 1.00 0.00 H new ATOM 0 HA PHE A 41 3.746 -6.805 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.423 -7.888 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.870 -8.902 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.244 -8.325 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.704 -7.891 6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.550 -8.506 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.011 -8.071 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.439 -8.382 3.664 1.00 0.00 H new ATOM 616 N GLU A 42 1.320 -6.976 4.187 1.00 0.00 N ATOM 617 CA GLU A 42 -0.122 -7.090 4.377 1.00 0.00 C ATOM 618 C GLU A 42 -0.735 -8.025 3.339 1.00 0.00 C ATOM 619 O GLU A 42 -0.335 -8.027 2.175 1.00 0.00 O ATOM 620 CB GLU A 42 -0.780 -5.712 4.291 1.00 0.00 C ATOM 621 CG GLU A 42 -0.647 -4.893 5.564 1.00 0.00 C ATOM 622 CD GLU A 42 -1.514 -5.421 6.690 1.00 0.00 C ATOM 623 OE1 GLU A 42 -2.748 -5.479 6.511 1.00 0.00 O ATOM 624 OE2 GLU A 42 -0.958 -5.774 7.751 1.00 0.00 O ATOM 0 H GLU A 42 1.616 -6.948 3.211 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.301 -7.508 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.336 -5.158 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.838 -5.838 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.395 -4.891 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.919 -3.858 5.356 1.00 0.00 H new ATOM 631 N VAL A 43 -1.710 -8.820 3.769 1.00 0.00 N ATOM 632 CA VAL A 43 -2.380 -9.759 2.878 1.00 0.00 C ATOM 633 C VAL A 43 -3.858 -9.892 3.230 1.00 0.00 C ATOM 634 O VAL A 43 -4.232 -9.875 4.402 1.00 0.00 O ATOM 635 CB VAL A 43 -1.723 -11.151 2.933 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.510 -12.147 2.095 1.00 0.00 C ATOM 637 CG2 VAL A 43 -0.277 -11.077 2.468 1.00 0.00 C ATOM 0 H VAL A 43 -2.053 -8.832 4.729 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.285 -9.360 1.868 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.731 -11.496 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.031 -13.125 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.528 -12.221 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.537 -11.810 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.171 -12.070 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.243 -10.710 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.279 -10.398 3.115 1.00 0.00 H new ATOM 647 N VAL A 44 -4.694 -10.025 2.206 1.00 0.00 N ATOM 648 CA VAL A 44 -6.132 -10.163 2.406 1.00 0.00 C ATOM 649 C VAL A 44 -6.604 -11.569 2.052 1.00 0.00 C ATOM 650 O VAL A 44 -6.342 -12.064 0.956 1.00 0.00 O ATOM 651 CB VAL A 44 -6.917 -9.142 1.561 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.409 -9.257 1.834 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.424 -7.730 1.840 1.00 0.00 C ATOM 0 H VAL A 44 -4.401 -10.040 1.229 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.324 -9.974 3.462 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.747 -9.361 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.947 -8.528 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.749 -10.261 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.602 -9.064 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.989 -7.021 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.563 -7.498 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.366 -7.658 1.589 1.00 0.00 H new ATOM 663 N GLU A 45 -7.302 -12.206 2.987 1.00 0.00 N ATOM 664 CA GLU A 45 -7.811 -13.556 2.773 1.00 0.00 C ATOM 665 C GLU A 45 -9.239 -13.520 2.236 1.00 0.00 C ATOM 666 O GLU A 45 -9.591 -14.276 1.331 1.00 0.00 O ATOM 667 CB GLU A 45 -7.764 -14.355 4.076 1.00 0.00 C ATOM 668 CG GLU A 45 -6.411 -14.991 4.352 1.00 0.00 C ATOM 669 CD GLU A 45 -6.509 -16.198 5.265 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.252 -16.126 6.266 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.843 -17.214 4.978 1.00 0.00 O ATOM 0 H GLU A 45 -7.528 -11.809 3.899 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.176 -14.044 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.023 -13.697 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.523 -15.137 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.955 -15.290 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.751 -14.251 4.804 1.00 0.00 H new ATOM 678 N GLN A 46 -10.055 -12.638 2.802 1.00 0.00 N ATOM 679 CA GLN A 46 -11.445 -12.504 2.382 1.00 0.00 C ATOM 680 C GLN A 46 -11.553 -11.661 1.115 1.00 0.00 C ATOM 681 O GLN A 46 -11.285 -10.460 1.133 1.00 0.00 O ATOM 682 CB GLN A 46 -12.280 -11.876 3.499 1.00 0.00 C ATOM 683 CG GLN A 46 -12.443 -12.774 4.715 1.00 0.00 C ATOM 684 CD GLN A 46 -12.706 -11.993 5.987 1.00 0.00 C ATOM 685 OE1 GLN A 46 -12.246 -10.861 6.140 1.00 0.00 O ATOM 686 NE2 GLN A 46 -13.451 -12.593 6.908 1.00 0.00 N ATOM 0 H GLN A 46 -9.778 -12.005 3.553 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.830 -13.501 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.813 -10.941 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.266 -11.626 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.266 -13.467 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.542 -13.374 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.812 -13.532 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.662 -12.115 7.784 1.00 0.00 H new ATOM 695 N ALA A 47 -11.946 -12.299 0.018 1.00 0.00 N ATOM 696 CA ALA A 47 -12.091 -11.607 -1.257 1.00 0.00 C ATOM 697 C ALA A 47 -13.157 -10.520 -1.174 1.00 0.00 C ATOM 698 O ALA A 47 -13.960 -10.495 -0.243 1.00 0.00 O ATOM 699 CB ALA A 47 -12.430 -12.599 -2.360 1.00 0.00 C ATOM 0 H ALA A 47 -12.170 -13.294 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.140 -11.129 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.535 -12.069 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.632 -13.336 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.366 -13.103 -2.121 1.00 0.00 H new ATOM 705 N GLY A 48 -13.157 -9.622 -2.155 1.00 0.00 N ATOM 706 CA GLY A 48 -14.129 -8.544 -2.173 1.00 0.00 C ATOM 707 C GLY A 48 -13.995 -7.622 -0.977 1.00 0.00 C ATOM 708 O GLY A 48 -14.938 -6.917 -0.620 1.00 0.00 O ATOM 0 H GLY A 48 -12.502 -9.622 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.008 -7.966 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.134 -8.965 -2.192 1.00 0.00 H new ATOM 712 N ALA A 49 -12.820 -7.629 -0.356 1.00 0.00 N ATOM 713 CA ALA A 49 -12.566 -6.787 0.807 1.00 0.00 C ATOM 714 C ALA A 49 -12.196 -5.369 0.387 1.00 0.00 C ATOM 715 O ALA A 49 -11.512 -5.167 -0.617 1.00 0.00 O ATOM 716 CB ALA A 49 -11.463 -7.390 1.664 1.00 0.00 C ATOM 0 H ALA A 49 -12.029 -8.208 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.482 -6.737 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.284 -6.751 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.765 -8.381 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.548 -7.470 1.076 1.00 0.00 H new ATOM 722 N ILE A 50 -12.653 -4.390 1.160 1.00 0.00 N ATOM 723 CA ILE A 50 -12.370 -2.990 0.867 1.00 0.00 C ATOM 724 C ILE A 50 -10.943 -2.624 1.260 1.00 0.00 C ATOM 725 O ILE A 50 -10.494 -2.934 2.365 1.00 0.00 O ATOM 726 CB ILE A 50 -13.348 -2.052 1.599 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.777 -2.284 1.104 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.941 -0.600 1.398 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.261 -3.704 1.298 1.00 0.00 C ATOM 0 H ILE A 50 -13.221 -4.540 1.994 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.493 -2.862 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.312 -2.274 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.449 -1.605 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.831 -2.032 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.642 0.050 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.937 -0.445 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.952 -0.363 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.281 -3.795 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.612 -4.388 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.239 -3.954 2.359 1.00 0.00 H new ATOM 741 N ILE A 51 -10.235 -1.963 0.351 1.00 0.00 N ATOM 742 CA ILE A 51 -8.860 -1.553 0.604 1.00 0.00 C ATOM 743 C ILE A 51 -8.784 -0.071 0.955 1.00 0.00 C ATOM 744 O ILE A 51 -7.984 0.339 1.797 1.00 0.00 O ATOM 745 CB ILE A 51 -7.957 -1.827 -0.614 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.392 -3.113 -1.319 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.501 -1.919 -0.184 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.064 -4.369 -0.542 1.00 0.00 C ATOM 0 H ILE A 51 -10.591 -1.700 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.506 -2.143 1.449 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.056 -0.999 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.467 -3.075 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.910 -3.163 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.876 -2.113 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.198 -0.979 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.384 -2.731 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.401 -5.242 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.987 -4.431 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.568 -4.341 0.424 1.00 0.00 H new ATOM 760 N LEU A 52 -9.623 0.729 0.306 1.00 0.00 N ATOM 761 CA LEU A 52 -9.654 2.167 0.551 1.00 0.00 C ATOM 762 C LEU A 52 -11.045 2.734 0.289 1.00 0.00 C ATOM 763 O LEU A 52 -11.669 2.429 -0.727 1.00 0.00 O ATOM 764 CB LEU A 52 -8.626 2.876 -0.333 1.00 0.00 C ATOM 765 CG LEU A 52 -7.160 2.535 -0.064 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.301 2.885 -1.269 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.663 3.262 1.177 1.00 0.00 C ATOM 0 H LEU A 52 -10.291 0.406 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.404 2.339 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.848 2.641 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.755 3.952 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.082 1.462 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.261 2.635 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.642 2.319 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.383 3.952 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.618 3.008 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.755 4.338 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.260 2.962 2.038 1.00 0.00 H new ATOM 779 N GLU A 53 -11.524 3.564 1.211 1.00 0.00 N ATOM 780 CA GLU A 53 -12.841 4.175 1.078 1.00 0.00 C ATOM 781 C GLU A 53 -12.739 5.550 0.425 1.00 0.00 C ATOM 782 O GLU A 53 -11.686 6.187 0.456 1.00 0.00 O ATOM 783 CB GLU A 53 -13.512 4.296 2.447 1.00 0.00 C ATOM 784 CG GLU A 53 -13.816 2.957 3.097 1.00 0.00 C ATOM 785 CD GLU A 53 -13.948 3.056 4.605 1.00 0.00 C ATOM 786 OE1 GLU A 53 -14.829 3.805 5.075 1.00 0.00 O ATOM 787 OE2 GLU A 53 -13.169 2.385 5.313 1.00 0.00 O ATOM 0 H GLU A 53 -11.020 3.828 2.057 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.449 3.533 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.866 4.873 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.440 4.857 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.741 2.557 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.024 2.250 2.851 1.00 0.00 H new ATOM 794 N ASP A 54 -13.840 6.002 -0.165 1.00 0.00 N ATOM 795 CA ASP A 54 -13.876 7.302 -0.825 1.00 0.00 C ATOM 796 C ASP A 54 -13.670 8.428 0.183 1.00 0.00 C ATOM 797 O ASP A 54 -14.290 8.446 1.245 1.00 0.00 O ATOM 798 CB ASP A 54 -15.207 7.490 -1.555 1.00 0.00 C ATOM 799 CG ASP A 54 -15.231 8.749 -2.400 1.00 0.00 C ATOM 800 OD1 ASP A 54 -14.499 9.704 -2.063 1.00 0.00 O ATOM 801 OD2 ASP A 54 -15.980 8.779 -3.398 1.00 0.00 O ATOM 0 H ASP A 54 -14.720 5.487 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.064 7.337 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.394 6.625 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.016 7.530 -0.825 1.00 0.00 H new ATOM 806 N GLY A 55 -12.794 9.368 -0.159 1.00 0.00 N ATOM 807 CA GLY A 55 -12.521 10.485 0.727 1.00 0.00 C ATOM 808 C GLY A 55 -11.619 10.101 1.883 1.00 0.00 C ATOM 809 O GLY A 55 -11.813 10.559 3.009 1.00 0.00 O ATOM 0 H GLY A 55 -12.269 9.376 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.055 11.290 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.462 10.873 1.118 1.00 0.00 H new ATOM 813 N GLN A 56 -10.631 9.256 1.606 1.00 0.00 N ATOM 814 CA GLN A 56 -9.698 8.809 2.633 1.00 0.00 C ATOM 815 C GLN A 56 -8.329 9.453 2.442 1.00 0.00 C ATOM 816 O GLN A 56 -7.727 9.349 1.374 1.00 0.00 O ATOM 817 CB GLN A 56 -9.566 7.285 2.603 1.00 0.00 C ATOM 818 CG GLN A 56 -8.524 6.746 3.570 1.00 0.00 C ATOM 819 CD GLN A 56 -8.686 5.262 3.835 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.675 4.651 3.427 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.714 4.673 4.521 1.00 0.00 N ATOM 0 H GLN A 56 -10.456 8.867 0.679 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.091 9.114 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.533 6.840 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.308 6.971 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.529 6.933 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.593 7.289 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.913 5.217 4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.769 3.676 4.729 1.00 0.00 H new ATOM 830 N GLU A 57 -7.844 10.120 3.485 1.00 0.00 N ATOM 831 CA GLU A 57 -6.546 10.783 3.431 1.00 0.00 C ATOM 832 C GLU A 57 -5.418 9.761 3.318 1.00 0.00 C ATOM 833 O GLU A 57 -4.847 9.336 4.323 1.00 0.00 O ATOM 834 CB GLU A 57 -6.340 11.652 4.673 1.00 0.00 C ATOM 835 CG GLU A 57 -5.028 12.419 4.668 1.00 0.00 C ATOM 836 CD GLU A 57 -4.518 12.712 6.066 1.00 0.00 C ATOM 837 OE1 GLU A 57 -3.829 11.842 6.640 1.00 0.00 O ATOM 838 OE2 GLU A 57 -4.808 13.809 6.586 1.00 0.00 O ATOM 0 H GLU A 57 -8.330 10.215 4.377 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.527 11.418 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.165 12.360 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.378 11.019 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.278 11.845 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.162 13.358 4.130 1.00 0.00 H new ATOM 845 N LEU A 58 -5.102 9.372 2.087 1.00 0.00 N ATOM 846 CA LEU A 58 -4.043 8.399 1.841 1.00 0.00 C ATOM 847 C LEU A 58 -2.697 8.926 2.328 1.00 0.00 C ATOM 848 O LEU A 58 -2.289 10.034 1.978 1.00 0.00 O ATOM 849 CB LEU A 58 -3.965 8.068 0.350 1.00 0.00 C ATOM 850 CG LEU A 58 -5.293 7.747 -0.337 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.233 8.114 -1.811 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.640 6.276 -0.165 1.00 0.00 C ATOM 0 H LEU A 58 -5.564 9.715 1.245 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.280 7.491 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.507 8.912 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.297 7.216 0.222 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.077 8.342 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.187 7.879 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.031 9.180 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.438 7.547 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.588 6.065 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.855 5.663 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.726 6.044 0.897 1.00 0.00 H new ATOM 864 N ASP A 59 -2.010 8.124 3.135 1.00 0.00 N ATOM 865 CA ASP A 59 -0.708 8.508 3.667 1.00 0.00 C ATOM 866 C ASP A 59 0.327 7.418 3.408 1.00 0.00 C ATOM 867 O ASP A 59 1.480 7.531 3.825 1.00 0.00 O ATOM 868 CB ASP A 59 -0.809 8.786 5.168 1.00 0.00 C ATOM 869 CG ASP A 59 -1.018 7.523 5.979 1.00 0.00 C ATOM 870 OD1 ASP A 59 -2.173 7.057 6.065 1.00 0.00 O ATOM 871 OD2 ASP A 59 -0.025 6.998 6.526 1.00 0.00 O ATOM 0 H ASP A 59 -2.333 7.204 3.435 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.388 9.417 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.101 9.283 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.635 9.473 5.352 1.00 0.00 H new ATOM 876 N SER A 60 -0.092 6.363 2.717 1.00 0.00 N ATOM 877 CA SER A 60 0.798 5.250 2.407 1.00 0.00 C ATOM 878 C SER A 60 0.601 4.783 0.968 1.00 0.00 C ATOM 879 O SER A 60 -0.519 4.765 0.457 1.00 0.00 O ATOM 880 CB SER A 60 0.551 4.087 3.370 1.00 0.00 C ATOM 881 OG SER A 60 0.523 4.536 4.714 1.00 0.00 O ATOM 0 H SER A 60 -1.042 6.255 2.361 1.00 0.00 H new ATOM 0 HA SER A 60 1.825 5.596 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.394 3.602 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.334 3.338 3.249 1.00 0.00 H new ATOM 0 HG SER A 60 0.362 3.775 5.310 1.00 0.00 H new ATOM 887 N TRP A 61 1.697 4.406 0.320 1.00 0.00 N ATOM 888 CA TRP A 61 1.647 3.938 -1.061 1.00 0.00 C ATOM 889 C TRP A 61 1.382 2.438 -1.118 1.00 0.00 C ATOM 890 O TRP A 61 2.172 1.639 -0.613 1.00 0.00 O ATOM 891 CB TRP A 61 2.956 4.265 -1.780 1.00 0.00 C ATOM 892 CG TRP A 61 2.938 3.913 -3.236 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.889 4.051 -4.100 1.00 0.00 C ATOM 894 CD2 TRP A 61 4.018 3.362 -3.998 1.00 0.00 C ATOM 895 NE1 TRP A 61 2.252 3.619 -5.353 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.553 3.193 -5.317 1.00 0.00 C ATOM 897 CE3 TRP A 61 5.333 2.998 -3.696 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.357 2.674 -6.329 1.00 0.00 C ATOM 899 CZ3 TRP A 61 6.129 2.483 -4.701 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.640 2.326 -6.004 1.00 0.00 C ATOM 0 H TRP A 61 2.632 4.415 0.728 1.00 0.00 H new ATOM 0 HA TRP A 61 0.827 4.452 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.164 5.330 -1.674 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.772 3.730 -1.294 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.917 4.442 -3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.650 3.616 -6.176 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.720 3.117 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.981 2.551 -7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.146 2.196 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.288 1.922 -6.768 1.00 0.00 H new ATOM 911 N TYR A 62 0.268 2.061 -1.735 1.00 0.00 N ATOM 912 CA TYR A 62 -0.101 0.655 -1.856 1.00 0.00 C ATOM 913 C TYR A 62 0.274 0.110 -3.231 1.00 0.00 C ATOM 914 O TYR A 62 -0.004 0.733 -4.256 1.00 0.00 O ATOM 915 CB TYR A 62 -1.601 0.478 -1.616 1.00 0.00 C ATOM 916 CG TYR A 62 -2.065 0.993 -0.272 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.151 2.357 -0.022 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.416 0.116 0.746 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.573 2.832 1.205 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.841 0.583 1.975 1.00 0.00 C ATOM 921 CZ TYR A 62 -2.917 1.941 2.200 1.00 0.00 C ATOM 922 OH TYR A 62 -3.340 2.411 3.423 1.00 0.00 O ATOM 0 H TYR A 62 -0.396 2.709 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 62 0.450 0.094 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.150 0.995 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.851 -0.580 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.884 3.057 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.356 -0.949 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.633 3.895 1.384 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.112 -0.112 2.756 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.545 1.654 4.011 1.00 0.00 H new ATOM 932 N VAL A 63 0.906 -1.059 -3.244 1.00 0.00 N ATOM 933 CA VAL A 63 1.318 -1.691 -4.492 1.00 0.00 C ATOM 934 C VAL A 63 0.862 -3.145 -4.548 1.00 0.00 C ATOM 935 O VAL A 63 1.227 -3.954 -3.695 1.00 0.00 O ATOM 936 CB VAL A 63 2.847 -1.637 -4.671 1.00 0.00 C ATOM 937 CG1 VAL A 63 3.258 -2.319 -5.966 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.336 -0.197 -4.639 1.00 0.00 C ATOM 0 H VAL A 63 1.144 -1.588 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 63 0.845 -1.133 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 63 3.311 -2.173 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.341 -2.271 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.942 -3.362 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.786 -1.814 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.418 -0.177 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.865 0.365 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.076 0.255 -3.682 1.00 0.00 H new ATOM 948 N ILE A 64 0.063 -3.469 -5.559 1.00 0.00 N ATOM 949 CA ILE A 64 -0.442 -4.826 -5.728 1.00 0.00 C ATOM 950 C ILE A 64 0.702 -5.829 -5.834 1.00 0.00 C ATOM 951 O ILE A 64 1.448 -5.835 -6.814 1.00 0.00 O ATOM 952 CB ILE A 64 -1.331 -4.945 -6.979 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.572 -4.061 -6.836 1.00 0.00 C ATOM 954 CG2 ILE A 64 -1.731 -6.395 -7.210 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.293 -3.815 -8.142 1.00 0.00 C ATOM 0 H ILE A 64 -0.248 -2.811 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.040 -5.052 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.762 -4.604 -7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.261 -4.528 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.278 -3.103 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.359 -6.462 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.836 -7.001 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.284 -6.762 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.162 -3.181 -7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.620 -3.320 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.618 -4.766 -8.563 1.00 0.00 H new ATOM 967 N LEU A 65 0.834 -6.677 -4.820 1.00 0.00 N ATOM 968 CA LEU A 65 1.887 -7.687 -4.799 1.00 0.00 C ATOM 969 C LEU A 65 1.417 -8.977 -5.464 1.00 0.00 C ATOM 970 O LEU A 65 2.174 -9.629 -6.181 1.00 0.00 O ATOM 971 CB LEU A 65 2.320 -7.971 -3.360 1.00 0.00 C ATOM 972 CG LEU A 65 3.441 -7.088 -2.811 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.896 -7.588 -1.448 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.612 -7.045 -3.783 1.00 0.00 C ATOM 0 H LEU A 65 0.225 -6.686 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 65 2.739 -7.300 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.450 -7.864 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.639 -9.011 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 65 3.055 -6.076 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.694 -6.947 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.056 -7.566 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.264 -8.610 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.400 -6.412 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.998 -8.053 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.278 -6.639 -4.738 1.00 0.00 H new ATOM 986 N ASN A 66 0.160 -9.338 -5.223 1.00 0.00 N ATOM 987 CA ASN A 66 -0.412 -10.549 -5.799 1.00 0.00 C ATOM 988 C ASN A 66 -1.936 -10.486 -5.796 1.00 0.00 C ATOM 989 O ASN A 66 -2.548 -10.049 -4.822 1.00 0.00 O ATOM 990 CB ASN A 66 0.061 -11.780 -5.024 1.00 0.00 C ATOM 991 CG ASN A 66 -0.248 -13.075 -5.751 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.506 -13.504 -6.624 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.361 -13.704 -5.392 1.00 0.00 N ATOM 0 H ASN A 66 -0.481 -8.809 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.072 -10.626 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.135 -11.709 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.416 -11.794 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.621 -14.580 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.956 -13.311 -4.663 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.543 -10.925 -6.894 1.00 0.00 N ATOM 1001 CA GLY A 67 -3.991 -10.910 -6.997 1.00 0.00 C ATOM 1002 C GLY A 67 -4.500 -9.764 -7.848 1.00 0.00 C ATOM 1003 O GLY A 67 -3.720 -9.075 -8.507 1.00 0.00 O ATOM 0 H GLY A 67 -2.059 -11.291 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.332 -11.854 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.422 -10.837 -5.999 1.00 0.00 H new ATOM 1007 N THR A 68 -5.813 -9.558 -7.836 1.00 0.00 N ATOM 1008 CA THR A 68 -6.426 -8.489 -8.614 1.00 0.00 C ATOM 1009 C THR A 68 -7.388 -7.669 -7.761 1.00 0.00 C ATOM 1010 O THR A 68 -8.140 -8.218 -6.955 1.00 0.00 O ATOM 1011 CB THR A 68 -7.186 -9.045 -9.833 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.257 -9.534 -10.807 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.067 -7.974 -10.457 1.00 0.00 C ATOM 0 H THR A 68 -6.473 -10.118 -7.296 1.00 0.00 H new ATOM 0 HA THR A 68 -5.616 -7.848 -8.962 1.00 0.00 H new ATOM 0 HB THR A 68 -7.822 -9.863 -9.495 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.747 -9.887 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.593 -8.391 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.792 -7.625 -9.721 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.448 -7.137 -10.782 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.360 -6.353 -7.944 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.231 -5.458 -7.192 1.00 0.00 C ATOM 1023 C VAL A 69 -9.071 -4.594 -8.127 1.00 0.00 C ATOM 1024 O VAL A 69 -8.567 -4.065 -9.117 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.421 -4.543 -6.255 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.755 -5.358 -5.157 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.389 -3.752 -7.044 1.00 0.00 C ATOM 0 H VAL A 69 -6.743 -5.883 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.890 -6.087 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.105 -3.836 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.187 -4.694 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.517 -5.875 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.082 -6.090 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.826 -3.111 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.707 -4.440 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.894 -3.137 -7.789 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.353 -4.456 -7.805 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.262 -3.656 -8.617 1.00 0.00 C ATOM 1039 C GLU A 70 -11.554 -2.316 -7.947 1.00 0.00 C ATOM 1040 O GLU A 70 -11.715 -2.242 -6.729 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.569 -4.415 -8.856 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.515 -3.711 -9.815 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.773 -4.512 -10.087 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.578 -4.687 -9.148 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.953 -4.963 -11.237 1.00 0.00 O ATOM 0 H GLU A 70 -10.785 -4.887 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.780 -3.465 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.338 -5.405 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.075 -4.561 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.789 -2.740 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.998 -3.522 -10.756 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.620 -1.261 -8.752 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.893 0.075 -8.238 1.00 0.00 C ATOM 1054 C ILE A 71 -13.206 0.619 -8.791 1.00 0.00 C ATOM 1055 O ILE A 71 -13.497 0.480 -9.979 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.757 1.055 -8.587 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.419 0.524 -8.068 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.048 2.431 -8.006 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.276 1.500 -8.238 1.00 0.00 C ATOM 0 H ILE A 71 -11.488 -1.306 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.966 -0.013 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.695 1.145 -9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.521 0.276 -7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.177 -0.401 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.236 3.113 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.983 2.810 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.133 2.358 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.359 1.058 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.148 1.729 -9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.497 2.417 -7.692 1.00 0.00 H new ATOM 1071 N SER A 72 -13.996 1.241 -7.920 1.00 0.00 N ATOM 1072 CA SER A 72 -15.280 1.804 -8.321 1.00 0.00 C ATOM 1073 C SER A 72 -15.333 3.300 -8.023 1.00 0.00 C ATOM 1074 O SER A 72 -14.824 3.760 -7.000 1.00 0.00 O ATOM 1075 CB SER A 72 -16.422 1.088 -7.598 1.00 0.00 C ATOM 1076 OG SER A 72 -17.679 1.461 -8.137 1.00 0.00 O ATOM 0 H SER A 72 -13.769 1.367 -6.934 1.00 0.00 H new ATOM 0 HA SER A 72 -15.393 1.660 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.291 0.009 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.392 1.329 -6.535 1.00 0.00 H new ATOM 0 HG SER A 72 -18.393 0.989 -7.659 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.952 4.055 -8.925 1.00 0.00 N ATOM 1083 CA HIS A 73 -16.073 5.499 -8.760 1.00 0.00 C ATOM 1084 C HIS A 73 -17.532 5.904 -8.572 1.00 0.00 C ATOM 1085 O HIS A 73 -18.447 5.292 -9.123 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.482 6.223 -9.970 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.996 6.078 -10.088 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -13.106 6.893 -9.420 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.245 5.206 -10.800 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.871 6.529 -9.717 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.928 5.507 -10.553 1.00 0.00 N ATOM 0 H HIS A 73 -16.377 3.691 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.517 5.786 -7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.949 5.839 -10.877 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.732 7.282 -9.907 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.361 7.657 -8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.613 4.420 -11.443 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.969 6.988 -9.341 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.756 6.960 -7.776 1.00 0.00 N ATOM 1101 CA PRO A 74 -19.101 7.470 -7.497 1.00 0.00 C ATOM 1102 C PRO A 74 -19.735 8.132 -8.716 1.00 0.00 C ATOM 1103 O PRO A 74 -20.945 8.355 -8.755 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.868 8.501 -6.390 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.455 8.939 -6.573 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.712 7.737 -7.086 1.00 0.00 C ATOM 0 HA PRO A 74 -19.789 6.672 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.558 9.340 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.023 8.065 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.392 9.767 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.030 9.288 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.908 8.021 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.258 7.168 -6.274 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.910 8.443 -9.710 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.390 9.078 -10.932 1.00 0.00 C ATOM 1116 C ASP A 75 -20.029 8.052 -11.862 1.00 0.00 C ATOM 1117 O ASP A 75 -21.057 8.318 -12.484 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.240 9.788 -11.648 1.00 0.00 C ATOM 1119 CG ASP A 75 -17.822 11.065 -10.948 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -18.699 11.919 -10.696 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -16.619 11.212 -10.650 1.00 0.00 O ATOM 0 H ASP A 75 -17.906 8.266 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.146 9.814 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.385 9.115 -11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.540 10.019 -12.670 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.413 6.877 -11.953 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.936 5.829 -12.810 1.00 0.00 C ATOM 1128 C GLY A 76 -18.850 5.144 -13.616 1.00 0.00 C ATOM 1129 O GLY A 76 -19.066 4.762 -14.766 1.00 0.00 O ATOM 0 H GLY A 76 -18.561 6.632 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.453 5.089 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.675 6.254 -13.489 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.677 4.988 -13.012 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.551 4.344 -13.679 1.00 0.00 C ATOM 1135 C LYS A 77 -15.902 3.306 -12.770 1.00 0.00 C ATOM 1136 O LYS A 77 -15.875 3.464 -11.550 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.515 5.389 -14.099 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.628 4.938 -15.246 1.00 0.00 C ATOM 1139 CD LYS A 77 -15.322 5.105 -16.588 1.00 0.00 C ATOM 1140 CE LYS A 77 -15.210 6.533 -17.100 1.00 0.00 C ATOM 1141 NZ LYS A 77 -16.052 6.757 -18.307 1.00 0.00 N ATOM 0 H LYS A 77 -17.481 5.299 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.928 3.838 -14.568 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.031 6.305 -14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.889 5.633 -13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.703 5.514 -15.240 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.353 3.893 -15.105 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.882 4.422 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.373 4.833 -16.491 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.511 7.225 -16.314 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.169 6.753 -17.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.948 7.742 -18.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.749 6.114 -19.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.049 6.572 -18.074 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.377 2.244 -13.373 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.724 1.180 -12.619 1.00 0.00 C ATOM 1157 C VAL A 78 -13.349 0.862 -13.195 1.00 0.00 C ATOM 1158 O VAL A 78 -13.233 0.396 -14.328 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.575 -0.104 -12.608 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -14.935 -1.161 -11.721 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -16.993 0.200 -12.151 1.00 0.00 C ATOM 0 H VAL A 78 -15.391 2.097 -14.382 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.611 1.540 -11.596 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.622 -0.496 -13.624 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.550 -2.061 -11.726 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.941 -1.399 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.855 -0.781 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.580 -0.719 -12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.969 0.617 -11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.448 0.920 -12.831 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.310 1.116 -12.406 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.942 0.856 -12.838 1.00 0.00 C ATOM 1173 C GLU A 79 -10.469 -0.512 -12.355 1.00 0.00 C ATOM 1174 O GLU A 79 -10.420 -0.775 -11.154 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.003 1.946 -12.317 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.852 3.124 -13.264 1.00 0.00 C ATOM 1177 CD GLU A 79 -11.099 3.371 -14.091 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -12.201 3.408 -13.504 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -10.973 3.528 -15.323 1.00 0.00 O ATOM 0 H GLU A 79 -12.389 1.501 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.925 0.863 -13.928 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.376 2.307 -11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.021 1.510 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.618 4.020 -12.689 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.008 2.944 -13.930 1.00 0.00 H new ATOM 1186 N ASN A 80 -10.122 -1.380 -13.301 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.654 -2.721 -12.972 1.00 0.00 C ATOM 1188 C ASN A 80 -8.134 -2.804 -13.059 1.00 0.00 C ATOM 1189 O ASN A 80 -7.548 -2.583 -14.120 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.286 -3.749 -13.914 1.00 0.00 C ATOM 1191 CG ASN A 80 -10.519 -3.192 -15.305 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -11.734 -3.361 -15.814 1.00 0.00 O flip ATOM 1193 ND2 ASN A 80 -9.618 -2.617 -15.914 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.156 -1.178 -14.300 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.954 -2.942 -11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.639 -4.624 -13.980 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.235 -4.085 -13.496 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.699 -2.510 -15.484 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.790 -2.247 -16.849 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.499 -3.123 -11.936 1.00 0.00 N ATOM 1201 CA LEU A 81 -6.046 -3.235 -11.884 1.00 0.00 C ATOM 1202 C LEU A 81 -5.614 -4.697 -11.827 1.00 0.00 C ATOM 1203 O LEU A 81 -6.428 -5.586 -11.575 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.499 -2.483 -10.670 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.819 -0.989 -10.606 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.623 -0.461 -9.194 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.955 -0.216 -11.592 1.00 0.00 C ATOM 0 H LEU A 81 -7.968 -3.309 -11.049 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.640 -2.790 -12.792 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.888 -2.957 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.416 -2.603 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.864 -0.849 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.855 0.604 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.285 -0.994 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.588 -0.614 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.196 0.845 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.903 -0.363 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.146 -0.576 -12.603 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.329 -4.939 -12.062 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.788 -6.293 -12.036 1.00 0.00 C ATOM 1221 C PHE A 82 -2.387 -6.308 -11.433 1.00 0.00 C ATOM 1222 O PHE A 82 -1.773 -5.260 -11.236 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.753 -6.878 -13.450 1.00 0.00 C ATOM 1224 CG PHE A 82 -4.994 -6.594 -14.247 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.224 -7.084 -13.837 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -4.931 -5.838 -15.406 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.367 -6.825 -14.569 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.072 -5.575 -16.142 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.291 -6.068 -15.722 1.00 0.00 C ATOM 0 H PHE A 82 -3.642 -4.215 -12.273 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.439 -6.905 -11.412 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.890 -6.475 -13.980 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.612 -7.957 -13.385 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.290 -7.675 -12.935 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.980 -5.449 -15.739 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.319 -7.214 -14.240 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.009 -4.985 -17.044 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.184 -5.862 -16.294 1.00 0.00 H new ATOM 1239 N MET A 83 -1.888 -7.505 -11.141 1.00 0.00 N ATOM 1240 CA MET A 83 -0.559 -7.657 -10.560 1.00 0.00 C ATOM 1241 C MET A 83 0.451 -6.763 -11.272 1.00 0.00 C ATOM 1242 O MET A 83 0.701 -6.921 -12.467 1.00 0.00 O ATOM 1243 CB MET A 83 -0.109 -9.117 -10.638 1.00 0.00 C ATOM 1244 CG MET A 83 1.385 -9.305 -10.428 1.00 0.00 C ATOM 1245 SD MET A 83 1.872 -11.041 -10.418 1.00 0.00 S ATOM 1246 CE MET A 83 3.345 -10.974 -9.401 1.00 0.00 C ATOM 0 H MET A 83 -2.383 -8.383 -11.297 1.00 0.00 H new ATOM 0 HA MET A 83 -0.610 -7.356 -9.514 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.649 -9.695 -9.888 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.384 -9.522 -11.612 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.927 -8.784 -11.217 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.676 -8.845 -9.484 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.472 -11.924 -8.881 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.214 -10.787 -10.031 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.247 -10.171 -8.671 1.00 0.00 H new ATOM 1256 N GLY A 84 1.030 -5.823 -10.530 1.00 0.00 N ATOM 1257 CA GLY A 84 2.005 -4.917 -11.109 1.00 0.00 C ATOM 1258 C GLY A 84 1.608 -3.463 -10.955 1.00 0.00 C ATOM 1259 O GLY A 84 2.460 -2.598 -10.752 1.00 0.00 O ATOM 0 H GLY A 84 0.841 -5.673 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.973 -5.078 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.127 -5.147 -12.167 1.00 0.00 H new ATOM 1263 N ASN A 85 0.311 -3.191 -11.055 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.197 -1.830 -10.928 1.00 0.00 C ATOM 1265 C ASN A 85 0.055 -1.284 -9.526 1.00 0.00 C ATOM 1266 O ASN A 85 0.379 -2.034 -8.605 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.694 -1.791 -11.242 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.970 -1.605 -12.722 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.362 -2.544 -13.414 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.764 -0.389 -13.214 1.00 0.00 N ATOM 0 H ASN A 85 -0.407 -3.895 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 85 0.334 -1.202 -11.644 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.158 -2.717 -10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.159 -0.978 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.931 -0.204 -14.203 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.438 0.360 -12.603 1.00 0.00 H new ATOM 1277 N SER A 86 -0.098 0.027 -9.371 1.00 0.00 N ATOM 1278 CA SER A 86 0.115 0.675 -8.082 1.00 0.00 C ATOM 1279 C SER A 86 -0.997 1.676 -7.786 1.00 0.00 C ATOM 1280 O SER A 86 -1.705 2.120 -8.691 1.00 0.00 O ATOM 1281 CB SER A 86 1.472 1.382 -8.061 1.00 0.00 C ATOM 1282 OG SER A 86 1.663 2.154 -9.234 1.00 0.00 O ATOM 0 H SER A 86 -0.369 0.662 -10.122 1.00 0.00 H new ATOM 0 HA SER A 86 0.102 -0.094 -7.310 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.537 2.026 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.269 0.644 -7.974 1.00 0.00 H new ATOM 0 HG SER A 86 2.536 2.597 -9.195 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.145 2.028 -6.513 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.172 2.975 -6.096 1.00 0.00 C ATOM 1290 C PHE A 87 -1.982 3.376 -4.636 1.00 0.00 C ATOM 1291 O PHE A 87 -1.444 2.611 -3.837 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.564 2.372 -6.294 1.00 0.00 C ATOM 1293 CG PHE A 87 -3.897 1.294 -5.302 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.288 1.618 -4.013 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.819 -0.042 -5.659 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.594 0.628 -3.098 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.124 -1.036 -4.749 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.513 -0.700 -3.467 1.00 0.00 C ATOM 0 H PHE A 87 -0.566 1.671 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.080 3.868 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.308 3.165 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.634 1.962 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.354 2.655 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.516 -0.310 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.896 0.893 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.058 -2.074 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.753 -1.475 -2.754 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.427 4.582 -4.297 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.296 5.064 -2.934 1.00 0.00 C ATOM 1310 C GLY A 88 -1.970 6.543 -2.871 1.00 0.00 C ATOM 1311 O GLY A 88 -2.847 7.387 -3.052 1.00 0.00 O ATOM 0 H GLY A 88 -2.876 5.233 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.225 4.876 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.513 4.501 -2.426 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.705 6.857 -2.613 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.265 8.244 -2.526 1.00 0.00 C ATOM 1317 C ILE A 89 0.880 8.520 -3.495 1.00 0.00 C ATOM 1318 O ILE A 89 1.258 7.657 -4.288 1.00 0.00 O ATOM 1319 CB ILE A 89 0.188 8.603 -1.098 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.537 7.951 -0.789 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -0.860 8.169 -0.085 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.178 8.461 0.482 1.00 0.00 C ATOM 0 H ILE A 89 0.033 6.170 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.121 8.863 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 89 0.304 9.685 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.400 6.873 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.216 8.126 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.525 8.430 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.802 8.675 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.005 7.091 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.131 7.955 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.347 9.535 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.519 8.262 1.327 1.00 0.00 H new ATOM 1334 N THR A 90 1.429 9.728 -3.425 1.00 0.00 N ATOM 1335 CA THR A 90 2.532 10.118 -4.295 1.00 0.00 C ATOM 1336 C THR A 90 3.839 10.211 -3.517 1.00 0.00 C ATOM 1337 O THR A 90 3.854 10.321 -2.291 1.00 0.00 O ATOM 1338 CB THR A 90 2.256 11.471 -4.978 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.420 12.280 -4.144 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.588 11.268 -6.330 1.00 0.00 C ATOM 0 H THR A 90 1.128 10.454 -2.775 1.00 0.00 H new ATOM 0 HA THR A 90 2.622 9.345 -5.059 1.00 0.00 H new ATOM 0 HB THR A 90 3.210 11.976 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.562 11.828 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.403 12.237 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.240 10.677 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.642 10.744 -6.193 1.00 0.00 H new ATOM 1348 N PRO A 91 4.965 10.169 -4.245 1.00 0.00 N ATOM 1349 CA PRO A 91 6.300 10.248 -3.643 1.00 0.00 C ATOM 1350 C PRO A 91 6.600 11.633 -3.080 1.00 0.00 C ATOM 1351 O PRO A 91 7.700 11.890 -2.588 1.00 0.00 O ATOM 1352 CB PRO A 91 7.236 9.932 -4.813 1.00 0.00 C ATOM 1353 CG PRO A 91 6.466 10.318 -6.028 1.00 0.00 C ATOM 1354 CD PRO A 91 5.023 10.039 -5.710 1.00 0.00 C ATOM 0 HA PRO A 91 6.407 9.568 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.167 10.495 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.503 8.875 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.616 11.371 -6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.792 9.744 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.358 10.749 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.725 9.043 -6.037 1.00 0.00 H new ATOM 1362 N THR A 92 5.616 12.523 -3.154 1.00 0.00 N ATOM 1363 CA THR A 92 5.775 13.882 -2.652 1.00 0.00 C ATOM 1364 C THR A 92 5.136 14.039 -1.277 1.00 0.00 C ATOM 1365 O THR A 92 4.163 13.357 -0.952 1.00 0.00 O ATOM 1366 CB THR A 92 5.154 14.913 -3.615 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.782 14.588 -3.862 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.917 14.952 -4.930 1.00 0.00 C ATOM 0 H THR A 92 4.700 12.327 -3.557 1.00 0.00 H new ATOM 0 HA THR A 92 6.846 14.067 -2.575 1.00 0.00 H new ATOM 0 HB THR A 92 5.215 15.896 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.394 15.249 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.461 15.686 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.954 15.229 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.884 13.969 -5.399 1.00 0.00 H new ATOM 1376 N LEU A 93 5.687 14.941 -0.473 1.00 0.00 N ATOM 1377 CA LEU A 93 5.170 15.189 0.868 1.00 0.00 C ATOM 1378 C LEU A 93 3.710 15.627 0.817 1.00 0.00 C ATOM 1379 O LEU A 93 3.025 15.662 1.840 1.00 0.00 O ATOM 1380 CB LEU A 93 6.010 16.257 1.571 1.00 0.00 C ATOM 1381 CG LEU A 93 7.419 15.835 1.988 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.171 17.011 2.592 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.360 14.675 2.972 1.00 0.00 C ATOM 0 H LEU A 93 6.492 15.513 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 93 5.231 14.258 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.091 17.120 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.473 16.586 2.460 1.00 0.00 H new ATOM 0 HG LEU A 93 7.956 15.504 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.172 16.692 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.245 17.812 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.636 17.373 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.372 14.388 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.805 14.979 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.861 13.826 2.504 1.00 0.00 H new ATOM 1395 N ASP A 94 3.238 15.956 -0.381 1.00 0.00 N ATOM 1396 CA ASP A 94 1.858 16.389 -0.567 1.00 0.00 C ATOM 1397 C ASP A 94 0.887 15.253 -0.261 1.00 0.00 C ATOM 1398 O ASP A 94 1.145 14.095 -0.591 1.00 0.00 O ATOM 1399 CB ASP A 94 1.645 16.887 -1.997 1.00 0.00 C ATOM 1400 CG ASP A 94 2.219 18.272 -2.219 1.00 0.00 C ATOM 1401 OD1 ASP A 94 1.802 19.209 -1.506 1.00 0.00 O ATOM 1402 OD2 ASP A 94 3.087 18.420 -3.105 1.00 0.00 O ATOM 0 H ASP A 94 3.791 15.931 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 94 1.663 17.207 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.108 16.189 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.578 16.899 -2.219 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.231 15.591 0.373 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.241 14.601 0.724 1.00 0.00 C ATOM 1409 C LYS A 95 -2.269 14.452 -0.393 1.00 0.00 C ATOM 1410 O LYS A 95 -2.363 15.302 -1.278 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.942 14.996 2.026 1.00 0.00 C ATOM 1412 CG LYS A 95 -2.625 16.351 1.962 1.00 0.00 C ATOM 1413 CD LYS A 95 -2.581 17.061 3.305 1.00 0.00 C ATOM 1414 CE LYS A 95 -3.266 16.245 4.390 1.00 0.00 C ATOM 1415 NZ LYS A 95 -4.732 16.503 4.437 1.00 0.00 N ATOM 0 H LYS A 95 -0.460 16.544 0.654 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.740 13.643 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.683 14.236 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.211 15.005 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.140 16.969 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.662 16.223 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.544 17.245 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.065 18.034 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.090 15.184 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.824 16.484 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.230 15.630 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.932 17.244 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.060 16.815 3.501 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.037 13.368 -0.345 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.058 13.110 -1.353 1.00 0.00 C ATOM 1431 C GLN A 96 -5.267 12.413 -0.738 1.00 0.00 C ATOM 1432 O GLN A 96 -5.168 11.800 0.325 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.483 12.257 -2.485 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.568 11.142 -2.002 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.238 11.659 -1.490 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -0.418 12.180 -2.395 1.00 0.00 O flip ATOM 1437 NE2 GLN A 96 -0.951 11.592 -0.295 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.971 12.655 0.381 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.382 14.068 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.304 11.821 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.929 12.900 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.067 10.586 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.391 10.443 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.612 11.183 0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.052 11.945 0.034 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.407 12.512 -1.413 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.636 11.893 -0.931 1.00 0.00 C ATOM 1448 C TYR A 97 -8.209 10.937 -1.973 1.00 0.00 C ATOM 1449 O TYR A 97 -8.338 11.286 -3.146 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.669 12.965 -0.583 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.080 14.169 0.118 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.104 14.019 1.096 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.500 15.455 -0.198 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.564 15.116 1.739 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -7.964 16.558 0.440 1.00 0.00 C ATOM 1456 CZ TYR A 97 -6.997 16.383 1.408 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.460 17.478 2.046 1.00 0.00 O ATOM 0 H TYR A 97 -6.505 13.015 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.398 11.323 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.162 13.293 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.437 12.525 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.762 13.029 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.258 15.595 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.807 14.982 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.300 17.551 0.182 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.872 18.295 1.696 1.00 0.00 H new ATOM 1467 N MET A 98 -8.553 9.731 -1.534 1.00 0.00 N ATOM 1468 CA MET A 98 -9.115 8.724 -2.428 1.00 0.00 C ATOM 1469 C MET A 98 -10.367 9.252 -3.121 1.00 0.00 C ATOM 1470 O MET A 98 -11.252 9.819 -2.480 1.00 0.00 O ATOM 1471 CB MET A 98 -9.447 7.449 -1.651 1.00 0.00 C ATOM 1472 CG MET A 98 -9.798 6.269 -2.541 1.00 0.00 C ATOM 1473 SD MET A 98 -8.343 5.371 -3.112 1.00 0.00 S ATOM 1474 CE MET A 98 -8.897 4.816 -4.722 1.00 0.00 C ATOM 0 H MET A 98 -8.453 9.427 -0.566 1.00 0.00 H new ATOM 0 HA MET A 98 -8.370 8.493 -3.189 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.595 7.182 -1.027 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.283 7.649 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.449 5.587 -1.994 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.362 6.625 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.131 4.184 -5.172 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.820 4.246 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.078 5.679 -5.362 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.435 9.061 -4.435 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.580 9.518 -5.216 1.00 0.00 C ATOM 1486 C HIS A 99 -12.440 8.339 -5.658 1.00 0.00 C ATOM 1487 O HIS A 99 -13.031 8.359 -6.737 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.109 10.307 -6.438 1.00 0.00 C ATOM 1489 CG HIS A 99 -10.704 11.714 -6.122 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.570 12.644 -5.586 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.518 12.349 -6.269 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -10.934 13.790 -5.418 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -9.687 13.637 -5.824 1.00 0.00 N ATOM 0 H HIS A 99 -9.712 8.593 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.183 10.169 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.265 9.788 -6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.908 10.325 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.608 11.922 -6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.361 14.697 -5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.966 14.358 -5.809 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.506 7.311 -4.817 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.296 6.137 -5.139 1.00 0.00 C ATOM 1504 C GLY A 100 -13.143 5.035 -4.110 1.00 0.00 C ATOM 1505 O GLY A 100 -12.539 5.239 -3.057 1.00 0.00 O ATOM 0 H GLY A 100 -12.026 7.271 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.346 6.419 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.999 5.760 -6.118 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.692 3.864 -4.414 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.614 2.725 -3.507 1.00 0.00 C ATOM 1511 C ILE A 101 -12.848 1.569 -4.141 1.00 0.00 C ATOM 1512 O ILE A 101 -13.030 1.261 -5.319 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.015 2.235 -3.098 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.815 3.376 -2.466 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.905 1.062 -2.135 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.286 3.064 -2.300 1.00 0.00 C ATOM 0 H ILE A 101 -14.196 3.679 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.083 3.065 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.541 1.899 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.389 3.610 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.709 4.268 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.903 0.726 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.369 0.244 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.363 1.374 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.790 3.917 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.727 2.859 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.403 2.191 -1.658 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.991 0.931 -3.351 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.198 -0.194 -3.833 1.00 0.00 C ATOM 1530 C VAL A 102 -11.614 -1.492 -3.150 1.00 0.00 C ATOM 1531 O VAL A 102 -11.756 -1.544 -1.928 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.694 0.038 -3.599 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.873 -1.037 -4.295 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.288 1.424 -4.076 1.00 0.00 C ATOM 0 H VAL A 102 -11.828 1.174 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.382 -0.275 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.497 -0.024 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.813 -0.856 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.145 -2.016 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.072 -1.010 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.222 1.571 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.499 1.518 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.852 2.178 -3.526 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.806 -2.538 -3.946 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.206 -3.837 -3.418 1.00 0.00 C ATOM 1546 C ARG A 103 -11.536 -4.968 -4.192 1.00 0.00 C ATOM 1547 O ARG A 103 -11.554 -4.990 -5.423 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.727 -3.991 -3.483 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.455 -3.351 -2.313 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.925 -3.739 -2.291 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.734 -2.871 -3.143 1.00 0.00 N ATOM 1552 CZ ARG A 103 -18.062 -2.866 -3.137 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.728 -3.678 -2.327 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.727 -2.047 -3.941 1.00 0.00 N ATOM 0 H ARG A 103 -11.691 -2.512 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.886 -3.893 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.089 -3.548 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.975 -5.052 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.983 -3.656 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.365 -2.267 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.032 -4.772 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.297 -3.691 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.252 -2.234 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.220 -4.308 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.748 -3.672 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.218 -1.420 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.747 -2.044 -3.936 1.00 0.00 H new ATOM 1568 N THR A 104 -10.943 -5.908 -3.461 1.00 0.00 N ATOM 1569 CA THR A 104 -10.266 -7.041 -4.078 1.00 0.00 C ATOM 1570 C THR A 104 -11.208 -7.814 -4.993 1.00 0.00 C ATOM 1571 O THR A 104 -12.428 -7.670 -4.911 1.00 0.00 O ATOM 1572 CB THR A 104 -9.698 -8.002 -3.016 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.653 -8.191 -1.966 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.399 -7.462 -2.436 1.00 0.00 C ATOM 0 H THR A 104 -10.918 -5.906 -2.441 1.00 0.00 H new ATOM 0 HA THR A 104 -9.444 -6.634 -4.667 1.00 0.00 H new ATOM 0 HB THR A 104 -9.492 -8.959 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.271 -7.884 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.017 -8.158 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.665 -7.347 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.583 -6.494 -1.970 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.636 -8.636 -5.867 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.424 -9.434 -6.798 1.00 0.00 C ATOM 1584 C LYS A 105 -11.207 -10.924 -6.556 1.00 0.00 C ATOM 1585 O LYS A 105 -11.915 -11.763 -7.113 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.057 -9.082 -8.241 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.881 -7.944 -8.818 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.290 -8.395 -9.163 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.317 -9.207 -10.448 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.705 -9.401 -10.953 1.00 0.00 N ATOM 0 H LYS A 105 -9.628 -8.767 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.477 -9.206 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.002 -8.813 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.186 -9.966 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.926 -7.125 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.393 -7.557 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.692 -8.993 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.936 -7.524 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.721 -8.703 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.855 -10.179 -10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.680 -9.959 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.267 -9.905 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.138 -8.475 -11.144 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.225 -11.247 -5.720 1.00 0.00 N ATOM 1605 CA VAL A 106 -9.917 -12.636 -5.402 1.00 0.00 C ATOM 1606 C VAL A 106 -9.359 -12.766 -3.990 1.00 0.00 C ATOM 1607 O VAL A 106 -9.106 -11.766 -3.317 1.00 0.00 O ATOM 1608 CB VAL A 106 -8.905 -13.229 -6.400 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.465 -13.194 -7.813 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.582 -12.481 -6.323 1.00 0.00 C ATOM 0 H VAL A 106 -9.629 -10.565 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 106 -10.852 -13.192 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.724 -14.270 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.736 -13.617 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.385 -13.777 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.676 -12.163 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.878 -12.913 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.743 -11.430 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.176 -12.564 -5.315 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.168 -14.003 -3.546 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.637 -14.265 -2.214 1.00 0.00 C ATOM 1622 C ASP A 107 -7.124 -14.453 -2.259 1.00 0.00 C ATOM 1623 O ASP A 107 -6.548 -14.682 -3.323 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.300 -15.505 -1.611 1.00 0.00 C ATOM 1625 CG ASP A 107 -8.656 -16.793 -2.085 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -7.636 -17.200 -1.491 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -9.173 -17.394 -3.051 1.00 0.00 O ATOM 0 H ASP A 107 -9.373 -14.841 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.859 -13.402 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.243 -15.452 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.358 -15.512 -1.874 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.485 -14.354 -1.098 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.039 -14.514 -1.005 1.00 0.00 C ATOM 1634 C ASP A 108 -4.320 -13.407 -1.770 1.00 0.00 C ATOM 1635 O ASP A 108 -3.351 -13.663 -2.487 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.619 -15.881 -1.546 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.369 -16.412 -0.872 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.120 -16.040 0.295 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.640 -17.199 -1.510 1.00 0.00 O ATOM 0 H ASP A 108 -6.946 -14.164 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.758 -14.447 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.434 -16.591 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.445 -15.806 -2.619 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.800 -12.179 -1.615 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.204 -11.033 -2.293 1.00 0.00 C ATOM 1646 C CYS A 109 -3.142 -10.375 -1.418 1.00 0.00 C ATOM 1647 O CYS A 109 -3.420 -9.968 -0.290 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.283 -10.014 -2.660 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.379 -10.548 -3.995 1.00 0.00 S ATOM 0 H CYS A 109 -5.601 -11.951 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.726 -11.390 -3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.883 -9.801 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.802 -9.080 -2.951 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.474 -11.033 -3.490 1.00 0.00 H new ATOM 1655 N GLN A 110 -1.926 -10.276 -1.945 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.822 -9.670 -1.210 1.00 0.00 C ATOM 1657 C GLN A 110 -0.670 -8.197 -1.575 1.00 0.00 C ATOM 1658 O GLN A 110 -0.784 -7.820 -2.741 1.00 0.00 O ATOM 1659 CB GLN A 110 0.481 -10.416 -1.499 1.00 0.00 C ATOM 1660 CG GLN A 110 0.566 -11.777 -0.826 1.00 0.00 C ATOM 1661 CD GLN A 110 1.562 -12.700 -1.499 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.254 -12.307 -2.439 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.641 -13.936 -1.020 1.00 0.00 N ATOM 0 H GLN A 110 -1.680 -10.607 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.044 -9.741 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.584 -10.546 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.321 -9.804 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.848 -11.644 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.419 -12.244 -0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.049 -14.219 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.294 -14.602 -1.433 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.413 -7.367 -0.569 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.246 -5.935 -0.783 1.00 0.00 C ATOM 1674 C PHE A 111 0.861 -5.377 0.106 1.00 0.00 C ATOM 1675 O PHE A 111 1.158 -5.927 1.166 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.559 -5.200 -0.503 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.718 -5.716 -1.307 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.983 -5.210 -2.569 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.543 -6.707 -0.800 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -4.049 -5.683 -3.310 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.611 -7.184 -1.537 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.863 -6.672 -2.794 1.00 0.00 C ATOM 0 H PHE A 111 -0.316 -7.662 0.403 1.00 0.00 H new ATOM 0 HA PHE A 111 0.036 -5.779 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.796 -5.287 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.424 -4.139 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.349 -4.437 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.349 -7.112 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.246 -5.279 -4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.247 -7.956 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.695 -7.044 -3.373 1.00 0.00 H new ATOM 1692 N VAL A 112 1.470 -4.281 -0.335 1.00 0.00 N ATOM 1693 CA VAL A 112 2.545 -3.647 0.419 1.00 0.00 C ATOM 1694 C VAL A 112 2.226 -2.184 0.707 1.00 0.00 C ATOM 1695 O VAL A 112 1.595 -1.505 -0.104 1.00 0.00 O ATOM 1696 CB VAL A 112 3.885 -3.730 -0.335 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.814 -2.949 -1.638 1.00 0.00 C ATOM 1698 CG2 VAL A 112 5.021 -3.222 0.540 1.00 0.00 C ATOM 0 H VAL A 112 1.237 -3.813 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 112 2.633 -4.189 1.361 1.00 0.00 H new ATOM 0 HB VAL A 112 4.082 -4.775 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.770 -3.019 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.028 -3.364 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.593 -1.903 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.960 -3.288 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.833 -2.184 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.085 -3.830 1.443 1.00 0.00 H new ATOM 1708 N CYS A 113 2.667 -1.705 1.865 1.00 0.00 N ATOM 1709 CA CYS A 113 2.429 -0.321 2.260 1.00 0.00 C ATOM 1710 C CYS A 113 3.740 0.383 2.593 1.00 0.00 C ATOM 1711 O CYS A 113 4.674 -0.235 3.106 1.00 0.00 O ATOM 1712 CB CYS A 113 1.487 -0.268 3.463 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.265 -0.396 3.036 1.00 0.00 S ATOM 0 H CYS A 113 3.191 -2.254 2.546 1.00 0.00 H new ATOM 0 HA CYS A 113 1.964 0.196 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.743 -1.077 4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.652 0.667 3.999 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.527 0.394 2.037 1.00 0.00 H new ATOM 1719 N ILE A 114 3.803 1.676 2.298 1.00 0.00 N ATOM 1720 CA ILE A 114 5.000 2.464 2.566 1.00 0.00 C ATOM 1721 C ILE A 114 4.641 3.888 2.977 1.00 0.00 C ATOM 1722 O ILE A 114 4.001 4.619 2.222 1.00 0.00 O ATOM 1723 CB ILE A 114 5.928 2.514 1.338 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.400 1.106 0.970 1.00 0.00 C ATOM 1725 CG2 ILE A 114 7.117 3.423 1.609 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.878 0.983 -0.460 1.00 0.00 C ATOM 0 H ILE A 114 3.039 2.201 1.873 1.00 0.00 H new ATOM 0 HA ILE A 114 5.523 1.973 3.387 1.00 0.00 H new ATOM 0 HB ILE A 114 5.369 2.921 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.208 0.816 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.583 0.403 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.763 3.448 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.763 4.430 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.678 3.043 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.197 -0.042 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.065 1.242 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.716 1.660 -0.623 1.00 0.00 H new ATOM 1738 N ALA A 115 5.060 4.275 4.178 1.00 0.00 N ATOM 1739 CA ALA A 115 4.786 5.612 4.687 1.00 0.00 C ATOM 1740 C ALA A 115 5.189 6.679 3.675 1.00 0.00 C ATOM 1741 O ALA A 115 6.221 6.562 3.015 1.00 0.00 O ATOM 1742 CB ALA A 115 5.511 5.833 6.007 1.00 0.00 C ATOM 0 H ALA A 115 5.590 3.681 4.816 1.00 0.00 H new ATOM 0 HA ALA A 115 3.712 5.696 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.297 6.836 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.171 5.098 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.585 5.723 5.855 1.00 0.00 H new ATOM 1748 N GLN A 116 4.367 7.717 3.557 1.00 0.00 N ATOM 1749 CA GLN A 116 4.639 8.803 2.623 1.00 0.00 C ATOM 1750 C GLN A 116 5.949 9.503 2.968 1.00 0.00 C ATOM 1751 O GLN A 116 6.708 9.892 2.081 1.00 0.00 O ATOM 1752 CB GLN A 116 3.490 9.812 2.633 1.00 0.00 C ATOM 1753 CG GLN A 116 3.555 10.797 3.790 1.00 0.00 C ATOM 1754 CD GLN A 116 2.640 11.989 3.594 1.00 0.00 C ATOM 1755 OE1 GLN A 116 1.772 12.264 4.424 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.829 12.706 2.492 1.00 0.00 N ATOM 0 H GLN A 116 3.508 7.829 4.096 1.00 0.00 H new ATOM 0 HA GLN A 116 4.729 8.375 1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.496 10.366 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.544 9.272 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.285 10.285 4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.581 11.147 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.560 12.442 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.243 13.520 2.307 1.00 0.00 H new ATOM 1765 N GLN A 117 6.208 9.659 4.262 1.00 0.00 N ATOM 1766 CA GLN A 117 7.427 10.314 4.724 1.00 0.00 C ATOM 1767 C GLN A 117 8.660 9.665 4.105 1.00 0.00 C ATOM 1768 O GLN A 117 9.507 10.347 3.526 1.00 0.00 O ATOM 1769 CB GLN A 117 7.516 10.254 6.250 1.00 0.00 C ATOM 1770 CG GLN A 117 6.816 11.410 6.946 1.00 0.00 C ATOM 1771 CD GLN A 117 5.540 11.828 6.243 1.00 0.00 C ATOM 1772 OE1 GLN A 117 4.461 11.305 6.526 1.00 0.00 O ATOM 1773 NE2 GLN A 117 5.655 12.776 5.320 1.00 0.00 N ATOM 0 H GLN A 117 5.591 9.341 5.009 1.00 0.00 H new ATOM 0 HA GLN A 117 7.391 11.357 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.081 9.316 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.565 10.245 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.584 11.125 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.494 12.262 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.568 13.182 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.830 13.098 4.814 1.00 0.00 H new ATOM 1782 N ASP A 118 8.756 8.347 4.231 1.00 0.00 N ATOM 1783 CA ASP A 118 9.886 7.606 3.683 1.00 0.00 C ATOM 1784 C ASP A 118 9.787 7.507 2.164 1.00 0.00 C ATOM 1785 O ASP A 118 10.800 7.489 1.465 1.00 0.00 O ATOM 1786 CB ASP A 118 9.950 6.205 4.295 1.00 0.00 C ATOM 1787 CG ASP A 118 10.699 6.183 5.613 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.939 6.332 5.594 1.00 0.00 O ATOM 1789 OD2 ASP A 118 10.045 6.017 6.663 1.00 0.00 O ATOM 0 H ASP A 118 8.064 7.769 4.708 1.00 0.00 H new ATOM 0 HA ASP A 118 10.799 8.146 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.937 5.833 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.435 5.527 3.593 1.00 0.00 H new ATOM 1794 N TYR A 119 8.559 7.443 1.660 1.00 0.00 N ATOM 1795 CA TYR A 119 8.327 7.343 0.224 1.00 0.00 C ATOM 1796 C TYR A 119 8.803 8.602 -0.494 1.00 0.00 C ATOM 1797 O TYR A 119 8.871 8.641 -1.722 1.00 0.00 O ATOM 1798 CB TYR A 119 6.842 7.112 -0.058 1.00 0.00 C ATOM 1799 CG TYR A 119 6.539 6.834 -1.513 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.375 6.027 -2.276 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.416 7.377 -2.126 1.00 0.00 C ATOM 1802 CE1 TYR A 119 7.102 5.771 -3.606 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.135 7.125 -3.455 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.981 6.322 -4.190 1.00 0.00 C ATOM 1805 OH TYR A 119 5.705 6.069 -5.515 1.00 0.00 O ATOM 0 H TYR A 119 7.710 7.459 2.225 1.00 0.00 H new ATOM 0 HA TYR A 119 8.898 6.494 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.492 6.273 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.279 7.989 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.253 5.593 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.751 8.007 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.763 5.143 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.258 7.555 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 119 5.115 5.289 -5.583 1.00 0.00 H new ATOM 1815 N TRP A 120 9.132 9.629 0.282 1.00 0.00 N ATOM 1816 CA TRP A 120 9.602 10.890 -0.279 1.00 0.00 C ATOM 1817 C TRP A 120 11.053 11.151 0.109 1.00 0.00 C ATOM 1818 O TRP A 120 11.646 12.148 -0.302 1.00 0.00 O ATOM 1819 CB TRP A 120 8.719 12.045 0.197 1.00 0.00 C ATOM 1820 CG TRP A 120 9.382 13.384 0.087 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.477 14.163 -1.031 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.043 14.101 1.135 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.158 15.320 -0.742 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.515 15.307 0.581 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.281 13.843 2.488 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.211 16.250 1.333 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 10.972 14.780 3.233 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.430 15.971 2.655 1.00 0.00 C ATOM 0 H TRP A 120 9.082 9.613 1.301 1.00 0.00 H new ATOM 0 HA TRP A 120 9.542 10.820 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.799 12.054 -0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.436 11.872 1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.075 13.907 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.365 16.068 -1.404 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.931 12.928 2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.565 17.169 0.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.162 14.591 4.279 1.00 0.00 H new ATOM 0 HH2 TRP A 120 11.966 16.683 3.264 1.00 0.00 H new ATOM 1839 N ARG A 121 11.620 10.249 0.903 1.00 0.00 N ATOM 1840 CA ARG A 121 13.002 10.382 1.347 1.00 0.00 C ATOM 1841 C ARG A 121 13.930 9.506 0.511 1.00 0.00 C ATOM 1842 O ARG A 121 15.140 9.728 0.470 1.00 0.00 O ATOM 1843 CB ARG A 121 13.124 10.007 2.825 1.00 0.00 C ATOM 1844 CG ARG A 121 14.526 10.185 3.386 1.00 0.00 C ATOM 1845 CD ARG A 121 14.557 9.964 4.890 1.00 0.00 C ATOM 1846 NE ARG A 121 14.691 8.551 5.232 1.00 0.00 N ATOM 1847 CZ ARG A 121 15.821 7.865 5.097 1.00 0.00 C ATOM 1848 NH1 ARG A 121 16.909 8.461 4.628 1.00 0.00 N ATOM 1849 NH2 ARG A 121 15.864 6.582 5.430 1.00 0.00 N ATOM 0 H ARG A 121 11.143 9.418 1.252 1.00 0.00 H new ATOM 0 HA ARG A 121 13.299 11.423 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.430 10.617 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.820 8.968 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 121 15.205 9.484 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 121 14.886 11.188 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 121 15.388 10.522 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.643 10.359 5.334 1.00 0.00 H new ATOM 0 HE ARG A 121 13.872 8.063 5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 121 16.879 9.447 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 121 17.776 7.933 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.029 6.120 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.732 6.057 5.326 1.00 0.00 H new ATOM 1863 N ILE A 122 13.354 8.510 -0.154 1.00 0.00 N ATOM 1864 CA ILE A 122 14.128 7.601 -0.990 1.00 0.00 C ATOM 1865 C ILE A 122 14.234 8.123 -2.418 1.00 0.00 C ATOM 1866 O ILE A 122 15.325 8.438 -2.897 1.00 0.00 O ATOM 1867 CB ILE A 122 13.507 6.192 -1.014 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.458 5.607 0.399 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.297 5.281 -1.943 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.852 4.223 0.459 1.00 0.00 C ATOM 0 H ILE A 122 12.354 8.312 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 122 15.125 7.542 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 122 12.487 6.267 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.470 5.570 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.883 6.275 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.846 4.289 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.285 5.692 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.327 5.209 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.850 3.871 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.829 4.257 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.440 3.541 -0.155 1.00 0.00 H new ATOM 1882 N LEU A 123 13.095 8.214 -3.095 1.00 0.00 N ATOM 1883 CA LEU A 123 13.058 8.700 -4.470 1.00 0.00 C ATOM 1884 C LEU A 123 13.682 10.088 -4.573 1.00 0.00 C ATOM 1885 O LEU A 123 14.671 10.284 -5.279 1.00 0.00 O ATOM 1886 CB LEU A 123 11.616 8.737 -4.980 1.00 0.00 C ATOM 1887 CG LEU A 123 10.994 7.386 -5.333 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.346 6.760 -4.107 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.977 7.544 -6.454 1.00 0.00 C ATOM 0 H LEU A 123 12.184 7.958 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 123 13.638 8.014 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.995 9.213 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.581 9.373 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 123 11.786 6.722 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.909 5.799 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.099 6.611 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.565 7.421 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.544 6.572 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.187 8.225 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.470 7.948 -7.338 1.00 0.00 H new ATOM 1901 N ASN A 124 13.098 11.048 -3.864 1.00 0.00 N ATOM 1902 CA ASN A 124 13.598 12.418 -3.875 1.00 0.00 C ATOM 1903 C ASN A 124 15.053 12.470 -3.419 1.00 0.00 C ATOM 1904 O ASN A 124 15.652 11.442 -3.099 1.00 0.00 O ATOM 1905 CB ASN A 124 12.738 13.304 -2.971 1.00 0.00 C ATOM 1906 CG ASN A 124 11.265 13.233 -3.325 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.574 12.238 -2.780 1.00 0.00 O flip ATOM 1908 ND2 ASN A 124 10.754 14.062 -4.077 1.00 0.00 N flip ATOM 0 H ASN A 124 12.278 10.903 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 124 13.542 12.790 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.875 13.001 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.078 14.337 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.323 14.810 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.761 14.001 -4.304 1.00 0.00 H new ATOM 1915 N HIS A 125 15.617 13.673 -3.393 1.00 0.00 N ATOM 1916 CA HIS A 125 17.003 13.860 -2.976 1.00 0.00 C ATOM 1917 C HIS A 125 17.079 14.709 -1.711 1.00 0.00 C ATOM 1918 O HIS A 125 18.001 15.508 -1.542 1.00 0.00 O ATOM 1919 CB HIS A 125 17.811 14.516 -4.095 1.00 0.00 C ATOM 1920 CG HIS A 125 18.157 13.580 -5.212 1.00 0.00 C ATOM 1921 ND1 HIS A 125 18.617 12.297 -5.003 1.00 0.00 N ATOM 1922 CD2 HIS A 125 18.108 13.747 -6.554 1.00 0.00 C ATOM 1923 CE1 HIS A 125 18.837 11.715 -6.169 1.00 0.00 C ATOM 1924 NE2 HIS A 125 18.535 12.574 -7.126 1.00 0.00 N ATOM 0 H HIS A 125 15.136 14.533 -3.656 1.00 0.00 H new ATOM 0 HA HIS A 125 17.427 12.879 -2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.244 15.355 -4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.731 14.925 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.792 14.637 -7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 125 19.201 10.709 -6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 125 18.607 12.395 -8.128 1.00 0.00 H new