USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 880 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 151 SER OG : rot 124:sc= -2.49! USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= -0.398 USER MOD Set 2.1: A 148 CYS SG : rot 160:sc= -0.894 USER MOD Set 2.2: A 160 HIS :FLIP no HE2:sc= 0.0809 F(o=-1.7,f=-0.81) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -1.49 K(o=-4.8,f=-9.7!) USER MOD Set 3.2: A 96 THR OG1 : rot -70:sc= -3.29! USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.139 USER MOD Set 4.2: A 155 LYS NZ :NH3+ -120:sc= 0.268 (180deg=-0.104) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -175:sc= -0.166 (180deg=-0.204) USER MOD Single : A 16 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.00374 (180deg=-0.105) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -23:sc= 0.0849 USER MOD Single : A 30 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-2.5) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.175 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 93 MET CE :methyl -121:sc= -3.3! (180deg=-5.62!) USER MOD Single : A 95 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0007) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -149:sc= 0.233 (180deg=-0.0123) USER MOD Single : A 107 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.063) USER MOD Single : A 115 ASN : amide:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -116:sc= -0.946 (180deg=-4.98!) USER MOD Single : A 123 ASN : amide:sc= 0.653 K(o=0.65,f=-7.3!) USER MOD Single : A 128 MET CE :methyl -139:sc= -1.26 (180deg=-2.61!) USER MOD Single : A 129 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 132 MET CE :methyl 158:sc= -2.96! (180deg=-5.98!) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.0716 USER MOD Single : A 135 ASN :FLIP amide:sc= -0.34 F(o=-1.5!,f=-0.34) USER MOD Single : A 145 THR OG1 : rot -70:sc= -2.21! USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 144:sc= -1.99 (180deg=-3.76!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.558 2.069 -5.526 1.00 0.67 N ATOM 156 CA VAL A 11 -12.197 2.202 -5.091 1.00 0.60 C ATOM 157 C VAL A 11 -12.039 1.498 -3.748 1.00 0.56 C ATOM 158 O VAL A 11 -12.260 2.074 -2.683 1.00 0.74 O ATOM 159 CB VAL A 11 -11.821 3.693 -4.997 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.421 3.858 -4.465 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.953 4.352 -6.364 1.00 0.98 C ATOM 0 HA VAL A 11 -11.522 1.737 -5.809 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.506 4.181 -4.304 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.176 4.919 -4.407 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.355 3.415 -3.471 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.717 3.359 -5.132 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.685 5.406 -6.287 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.287 3.859 -7.072 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.982 4.264 -6.713 1.00 0.98 H new ATOM 171 N THR A 12 -11.696 0.227 -3.833 1.00 0.46 N ATOM 172 CA THR A 12 -11.680 -0.657 -2.687 1.00 0.45 C ATOM 173 C THR A 12 -10.391 -0.504 -1.894 1.00 0.39 C ATOM 174 O THR A 12 -9.300 -0.688 -2.431 1.00 0.43 O ATOM 175 CB THR A 12 -11.831 -2.117 -3.157 1.00 0.55 C ATOM 176 OG1 THR A 12 -12.946 -2.224 -4.054 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.034 -3.053 -1.979 1.00 0.62 C ATOM 0 H THR A 12 -11.419 -0.223 -4.706 1.00 0.46 H new ATOM 0 HA THR A 12 -12.514 -0.391 -2.037 1.00 0.45 H new ATOM 0 HB THR A 12 -10.914 -2.406 -3.671 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.038 -3.153 -4.352 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.138 -4.076 -2.341 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.175 -2.989 -1.311 1.00 0.62 H new ATOM 0 HG23 THR A 12 -12.936 -2.767 -1.438 1.00 0.62 H new ATOM 185 N ILE A 13 -10.516 -0.159 -0.621 1.00 0.39 N ATOM 186 CA ILE A 13 -9.354 -0.036 0.242 1.00 0.38 C ATOM 187 C ILE A 13 -9.052 -1.376 0.886 1.00 0.37 C ATOM 188 O ILE A 13 -9.847 -1.900 1.670 1.00 0.51 O ATOM 189 CB ILE A 13 -9.550 1.033 1.336 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.736 2.409 0.694 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.367 1.043 2.302 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.795 3.532 1.697 1.00 1.03 C ATOM 0 H ILE A 13 -11.407 0.040 -0.166 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.516 0.280 -0.379 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.446 0.789 1.906 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -8.915 2.593 0.001 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.654 2.407 0.107 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.527 1.805 3.065 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.277 0.066 2.777 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.451 1.265 1.754 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -9.928 4.480 1.175 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.633 3.371 2.375 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.867 3.559 2.268 1.00 1.03 H new ATOM 204 N MET A 14 -7.911 -1.933 0.533 1.00 0.31 N ATOM 205 CA MET A 14 -7.540 -3.263 1.011 1.00 0.35 C ATOM 206 C MET A 14 -6.065 -3.345 1.376 1.00 0.29 C ATOM 207 O MET A 14 -5.282 -2.449 1.071 1.00 0.46 O ATOM 208 CB MET A 14 -7.860 -4.345 -0.031 1.00 0.56 C ATOM 209 CG MET A 14 -9.340 -4.484 -0.343 1.00 0.75 C ATOM 210 SD MET A 14 -9.736 -5.994 -1.250 1.00 1.04 S ATOM 211 CE MET A 14 -9.106 -5.603 -2.878 1.00 0.77 C ATOM 0 H MET A 14 -7.224 -1.494 -0.079 1.00 0.31 H new ATOM 0 HA MET A 14 -8.134 -3.441 1.908 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.325 -4.117 -0.953 1.00 0.56 H new ATOM 0 HB3 MET A 14 -7.483 -5.303 0.328 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.904 -4.469 0.589 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.665 -3.622 -0.926 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.359 -6.407 -3.569 1.00 0.77 H new ATOM 0 HE2 MET A 14 -9.552 -4.671 -3.227 1.00 0.77 H new ATOM 0 HE3 MET A 14 -8.023 -5.492 -2.832 1.00 0.77 H new ATOM 221 N GLY A 15 -5.709 -4.430 2.044 1.00 0.34 N ATOM 222 CA GLY A 15 -4.340 -4.690 2.410 1.00 0.45 C ATOM 223 C GLY A 15 -4.278 -5.454 3.711 1.00 0.62 C ATOM 224 O GLY A 15 -4.422 -6.671 3.737 1.00 1.55 O ATOM 0 H GLY A 15 -6.366 -5.150 2.344 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.849 -5.261 1.622 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.798 -3.749 2.507 1.00 0.45 H new ATOM 228 N HIS A 16 -4.098 -4.722 4.785 1.00 0.51 N ATOM 229 CA HIS A 16 -4.101 -5.278 6.126 1.00 0.45 C ATOM 230 C HIS A 16 -4.320 -4.144 7.130 1.00 0.49 C ATOM 231 O HIS A 16 -3.944 -2.997 6.883 1.00 0.64 O ATOM 232 CB HIS A 16 -2.787 -6.030 6.393 1.00 0.43 C ATOM 233 CG HIS A 16 -2.608 -6.452 7.821 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.460 -7.347 8.416 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.685 -6.052 8.726 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.040 -7.472 9.663 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.969 -6.705 9.899 1.00 0.59 N ATOM 0 H HIS A 16 -3.944 -3.714 4.757 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.911 -5.999 6.233 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.749 -6.914 5.756 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.950 -5.393 6.105 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.879 -5.353 8.557 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.503 -8.113 10.399 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.462 -6.622 10.780 1.00 0.59 H new ATOM 245 N VAL A 17 -4.949 -4.481 8.254 1.00 0.53 N ATOM 246 CA VAL A 17 -5.462 -3.487 9.196 1.00 0.67 C ATOM 247 C VAL A 17 -4.369 -2.650 9.852 1.00 0.64 C ATOM 248 O VAL A 17 -4.625 -1.509 10.236 1.00 0.78 O ATOM 249 CB VAL A 17 -6.323 -4.145 10.296 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.561 -4.789 9.691 1.00 1.55 C ATOM 251 CG2 VAL A 17 -5.521 -5.168 11.087 1.00 1.62 C ATOM 0 H VAL A 17 -5.117 -5.446 8.537 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.076 -2.816 8.596 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.639 -3.363 10.986 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.156 -5.248 10.481 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.156 -4.029 9.184 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.260 -5.553 8.974 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.155 -5.613 11.854 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -5.162 -5.948 10.415 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -4.671 -4.677 11.560 1.00 1.62 H new ATOM 261 N ASP A 18 -3.165 -3.202 9.972 1.00 0.57 N ATOM 262 CA ASP A 18 -2.065 -2.503 10.643 1.00 0.61 C ATOM 263 C ASP A 18 -1.403 -1.486 9.726 1.00 0.56 C ATOM 264 O ASP A 18 -0.768 -0.540 10.192 1.00 0.69 O ATOM 265 CB ASP A 18 -1.006 -3.488 11.142 1.00 0.69 C ATOM 266 CG ASP A 18 -1.436 -4.243 12.381 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.441 -3.646 13.477 1.00 1.17 O ATOM 268 OD2 ASP A 18 -1.751 -5.447 12.268 1.00 1.78 O ATOM 0 H ASP A 18 -2.923 -4.127 9.616 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.502 -1.980 11.494 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.779 -4.201 10.349 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.085 -2.945 11.356 1.00 0.69 H new ATOM 273 N HIS A 19 -1.548 -1.686 8.422 1.00 0.46 N ATOM 274 CA HIS A 19 -0.919 -0.817 7.446 1.00 0.48 C ATOM 275 C HIS A 19 -1.587 0.550 7.428 1.00 0.58 C ATOM 276 O HIS A 19 -0.951 1.571 7.693 1.00 0.65 O ATOM 277 CB HIS A 19 -0.983 -1.448 6.058 1.00 0.46 C ATOM 278 CG HIS A 19 -0.184 -2.706 5.936 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.559 -3.714 5.082 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.966 -3.058 6.557 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.367 -4.645 5.201 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.307 -4.294 6.082 1.00 0.48 N ATOM 0 H HIS A 19 -2.098 -2.445 8.019 1.00 0.46 H new ATOM 0 HA HIS A 19 0.125 -0.687 7.730 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.023 -1.663 5.813 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.625 -0.727 5.323 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.509 -2.475 7.286 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.365 -5.576 4.654 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.124 -4.843 6.350 1.00 0.48 H new ATOM 290 N GLY A 20 -2.874 0.559 7.124 1.00 0.76 N ATOM 291 CA GLY A 20 -3.616 1.799 7.107 1.00 0.90 C ATOM 292 C GLY A 20 -4.966 1.656 6.441 1.00 0.81 C ATOM 293 O GLY A 20 -5.259 2.347 5.472 1.00 0.93 O ATOM 0 H GLY A 20 -3.418 -0.271 6.889 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.754 2.150 8.130 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.035 2.559 6.585 1.00 0.90 H new ATOM 297 N LYS A 21 -5.795 0.763 6.961 1.00 0.79 N ATOM 298 CA LYS A 21 -7.110 0.533 6.385 1.00 0.87 C ATOM 299 C LYS A 21 -8.118 1.494 6.997 1.00 0.89 C ATOM 300 O LYS A 21 -8.531 2.473 6.381 1.00 0.93 O ATOM 301 CB LYS A 21 -7.568 -0.898 6.657 1.00 1.09 C ATOM 302 CG LYS A 21 -8.756 -1.336 5.809 1.00 1.20 C ATOM 303 CD LYS A 21 -9.420 -2.589 6.365 1.00 1.39 C ATOM 304 CE LYS A 21 -10.293 -2.273 7.576 1.00 1.73 C ATOM 305 NZ LYS A 21 -11.540 -1.550 7.200 1.00 2.11 N ATOM 0 H LYS A 21 -5.581 0.189 7.777 1.00 0.79 H new ATOM 0 HA LYS A 21 -7.046 0.695 5.309 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -6.735 -1.577 6.476 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -7.832 -0.991 7.711 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -9.486 -0.528 5.763 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.424 -1.524 4.788 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -10.028 -3.054 5.589 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.655 -3.312 6.646 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -10.553 -3.201 8.086 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.725 -1.669 8.283 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -12.198 -1.550 8.006 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.308 -0.569 6.943 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.985 -2.025 6.389 1.00 2.11 H new ATOM 319 N THR A 22 -8.469 1.213 8.240 1.00 0.92 N ATOM 320 CA THR A 22 -9.481 1.971 8.946 1.00 1.00 C ATOM 321 C THR A 22 -8.964 3.364 9.324 1.00 0.99 C ATOM 322 O THR A 22 -9.738 4.311 9.455 1.00 1.03 O ATOM 323 CB THR A 22 -9.935 1.201 10.203 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.971 1.914 10.885 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.759 0.956 11.141 1.00 1.65 C ATOM 0 H THR A 22 -8.060 0.454 8.785 1.00 0.92 H new ATOM 0 HA THR A 22 -10.337 2.103 8.284 1.00 1.00 H new ATOM 0 HB THR A 22 -10.329 0.236 9.883 1.00 1.10 H new ATOM 0 HG1 THR A 22 -11.247 1.410 11.679 1.00 1.80 H new ATOM 0 HG21 THR A 22 -9.102 0.412 12.021 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.998 0.370 10.625 1.00 1.65 H new ATOM 0 HG23 THR A 22 -8.334 1.911 11.449 1.00 1.65 H new ATOM 333 N THR A 23 -7.649 3.492 9.475 1.00 0.99 N ATOM 334 CA THR A 23 -7.054 4.780 9.800 1.00 1.02 C ATOM 335 C THR A 23 -7.008 5.668 8.560 1.00 0.96 C ATOM 336 O THR A 23 -6.879 6.885 8.667 1.00 0.96 O ATOM 337 CB THR A 23 -5.638 4.630 10.406 1.00 1.12 C ATOM 338 OG1 THR A 23 -5.117 5.912 10.780 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.685 3.966 9.428 1.00 1.41 C ATOM 0 H THR A 23 -6.982 2.726 9.378 1.00 0.99 H new ATOM 0 HA THR A 23 -7.683 5.249 10.556 1.00 1.02 H new ATOM 0 HB THR A 23 -5.725 3.998 11.290 1.00 1.12 H new ATOM 0 HG1 THR A 23 -5.567 6.612 10.262 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.699 3.876 9.885 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.059 2.974 9.172 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.612 4.570 8.524 1.00 1.41 H new ATOM 347 N LEU A 24 -7.133 5.055 7.383 1.00 0.96 N ATOM 348 CA LEU A 24 -7.222 5.815 6.143 1.00 0.96 C ATOM 349 C LEU A 24 -8.573 6.511 6.114 1.00 0.89 C ATOM 350 O LEU A 24 -8.671 7.699 5.819 1.00 0.91 O ATOM 351 CB LEU A 24 -7.062 4.882 4.932 1.00 1.06 C ATOM 352 CG LEU A 24 -6.495 5.519 3.651 1.00 0.88 C ATOM 353 CD1 LEU A 24 -7.445 6.558 3.075 1.00 1.78 C ATOM 354 CD2 LEU A 24 -5.131 6.135 3.926 1.00 1.57 C ATOM 0 H LEU A 24 -7.174 4.043 7.265 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.423 6.555 6.094 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -6.412 4.056 5.220 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -8.037 4.454 4.699 1.00 1.06 H new ATOM 0 HG LEU A 24 -6.382 4.730 2.908 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -7.011 6.986 2.171 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -8.397 6.086 2.832 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.609 7.348 3.808 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.742 6.582 3.011 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.227 6.904 4.693 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.445 5.361 4.272 1.00 1.57 H new ATOM 366 N LEU A 25 -9.601 5.755 6.477 1.00 0.88 N ATOM 367 CA LEU A 25 -10.960 6.270 6.550 1.00 0.91 C ATOM 368 C LEU A 25 -11.050 7.367 7.614 1.00 0.89 C ATOM 369 O LEU A 25 -11.709 8.379 7.419 1.00 0.92 O ATOM 370 CB LEU A 25 -11.916 5.115 6.884 1.00 1.02 C ATOM 371 CG LEU A 25 -13.356 5.251 6.369 1.00 1.21 C ATOM 372 CD1 LEU A 25 -14.071 3.905 6.430 1.00 1.76 C ATOM 373 CD2 LEU A 25 -14.131 6.292 7.170 1.00 1.96 C ATOM 0 H LEU A 25 -9.516 4.770 6.728 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.241 6.703 5.590 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.494 4.195 6.480 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.950 5.002 7.968 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.311 5.583 5.332 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -15.091 4.018 6.062 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.539 3.182 5.811 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -14.095 3.552 7.461 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -15.147 6.367 6.783 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -14.163 5.995 8.218 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.637 7.260 7.082 1.00 1.96 H new ATOM 385 N ASP A 26 -10.381 7.156 8.741 1.00 0.91 N ATOM 386 CA ASP A 26 -10.348 8.154 9.818 1.00 0.96 C ATOM 387 C ASP A 26 -9.663 9.445 9.372 1.00 0.92 C ATOM 388 O ASP A 26 -10.225 10.531 9.510 1.00 0.95 O ATOM 389 CB ASP A 26 -9.658 7.589 11.052 1.00 1.05 C ATOM 390 CG ASP A 26 -9.174 8.667 12.014 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.016 9.237 12.735 1.00 1.35 O ATOM 392 OD2 ASP A 26 -7.952 8.938 12.060 1.00 1.38 O ATOM 0 H ASP A 26 -9.853 6.306 8.939 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.381 8.396 10.070 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.348 6.927 11.575 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.809 6.982 10.740 1.00 1.05 H new ATOM 397 N ALA A 27 -8.456 9.330 8.828 1.00 0.89 N ATOM 398 CA ALA A 27 -7.709 10.500 8.369 1.00 0.89 C ATOM 399 C ALA A 27 -8.451 11.217 7.254 1.00 0.85 C ATOM 400 O ALA A 27 -8.515 12.445 7.220 1.00 0.90 O ATOM 401 CB ALA A 27 -6.328 10.098 7.889 1.00 0.91 C ATOM 0 H ALA A 27 -7.973 8.442 8.694 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.607 11.181 9.214 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.788 10.983 7.552 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.781 9.629 8.707 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.421 9.393 7.063 1.00 0.91 H new ATOM 407 N ILE A 28 -9.014 10.437 6.351 1.00 0.82 N ATOM 408 CA ILE A 28 -9.785 10.963 5.240 1.00 0.83 C ATOM 409 C ILE A 28 -11.062 11.625 5.770 1.00 0.88 C ATOM 410 O ILE A 28 -11.568 12.588 5.199 1.00 0.94 O ATOM 411 CB ILE A 28 -10.117 9.820 4.254 1.00 0.86 C ATOM 412 CG1 ILE A 28 -10.056 10.284 2.807 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.483 9.221 4.538 1.00 1.56 C ATOM 414 CD1 ILE A 28 -10.147 9.124 1.846 1.00 0.95 C ATOM 0 H ILE A 28 -8.950 9.419 6.367 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.204 11.716 4.708 1.00 0.83 H new ATOM 0 HB ILE A 28 -9.357 9.053 4.403 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.871 10.982 2.614 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.125 10.826 2.637 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.684 8.420 3.826 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.501 8.819 5.551 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -12.246 9.993 4.441 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -10.100 9.495 0.822 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.317 8.440 2.022 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -11.090 8.598 1.998 1.00 0.95 H new ATOM 426 N ARG A 29 -11.547 11.105 6.893 1.00 0.93 N ATOM 427 CA ARG A 29 -12.713 11.648 7.573 1.00 1.04 C ATOM 428 C ARG A 29 -12.372 13.001 8.192 1.00 1.08 C ATOM 429 O ARG A 29 -13.212 13.898 8.264 1.00 1.17 O ATOM 430 CB ARG A 29 -13.179 10.665 8.652 1.00 1.16 C ATOM 431 CG ARG A 29 -14.302 11.170 9.535 1.00 1.33 C ATOM 432 CD ARG A 29 -15.592 11.369 8.756 1.00 1.58 C ATOM 433 NE ARG A 29 -16.673 11.858 9.612 1.00 2.13 N ATOM 434 CZ ARG A 29 -17.899 12.136 9.178 1.00 2.85 C ATOM 435 NH1 ARG A 29 -18.211 11.968 7.900 1.00 3.29 N ATOM 436 NH2 ARG A 29 -18.814 12.583 10.030 1.00 3.56 N ATOM 0 H ARG A 29 -11.140 10.293 7.357 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.520 11.792 6.854 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.504 9.744 8.168 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -12.327 10.410 9.283 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.473 10.461 10.345 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -14.006 12.113 9.994 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.422 12.077 7.945 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.889 10.426 8.298 1.00 1.58 H new ATOM 0 HE ARG A 29 -16.474 11.994 10.603 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -17.509 11.624 7.245 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -19.153 12.183 7.572 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -18.575 12.712 11.013 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -19.755 12.797 9.701 1.00 3.56 H new ATOM 450 N HIS A 30 -11.124 13.138 8.629 1.00 1.05 N ATOM 451 CA HIS A 30 -10.619 14.404 9.141 1.00 1.13 C ATOM 452 C HIS A 30 -10.628 15.440 8.031 1.00 1.15 C ATOM 453 O HIS A 30 -10.760 16.638 8.268 1.00 1.32 O ATOM 454 CB HIS A 30 -9.204 14.244 9.664 1.00 1.23 C ATOM 455 CG HIS A 30 -9.053 13.291 10.792 1.00 1.70 C ATOM 456 ND1 HIS A 30 -7.839 12.802 11.207 1.00 2.44 N ATOM 457 CD2 HIS A 30 -9.976 12.722 11.572 1.00 2.01 C ATOM 458 CE1 HIS A 30 -8.029 11.965 12.203 1.00 2.88 C ATOM 459 NE2 HIS A 30 -9.325 11.888 12.449 1.00 2.60 N ATOM 0 H HIS A 30 -10.441 12.381 8.638 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.262 14.728 9.959 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.565 13.916 8.844 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.838 15.220 9.982 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -11.042 12.888 11.522 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -7.255 11.429 12.732 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -9.765 11.310 13.165 1.00 2.60 H new ATOM 468 N SER A 31 -10.493 14.949 6.808 1.00 1.07 N ATOM 469 CA SER A 31 -10.517 15.787 5.626 1.00 1.19 C ATOM 470 C SER A 31 -11.951 15.977 5.124 1.00 1.32 C ATOM 471 O SER A 31 -12.173 16.492 4.029 1.00 1.76 O ATOM 472 CB SER A 31 -9.620 15.175 4.544 1.00 1.15 C ATOM 473 OG SER A 31 -8.251 15.350 4.877 1.00 1.50 O ATOM 0 H SER A 31 -10.364 13.957 6.611 1.00 1.07 H new ATOM 0 HA SER A 31 -10.130 16.774 5.878 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.842 14.113 4.437 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.829 15.643 3.582 1.00 1.15 H new ATOM 0 HG SER A 31 -7.691 14.953 4.178 1.00 1.50 H new ATOM 706 N TYR A 48 -17.691 4.210 2.137 1.00 1.05 N ATOM 707 CA TYR A 48 -18.002 5.627 2.135 1.00 1.04 C ATOM 708 C TYR A 48 -17.629 6.280 0.814 1.00 0.91 C ATOM 709 O TYR A 48 -16.637 5.923 0.184 1.00 0.86 O ATOM 710 CB TYR A 48 -17.300 6.338 3.297 1.00 1.16 C ATOM 711 CG TYR A 48 -15.795 6.277 3.236 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.134 5.063 3.203 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.040 7.436 3.202 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.759 5.005 3.142 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.663 7.392 3.140 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.023 6.163 3.136 1.00 1.96 C ATOM 717 OH TYR A 48 -11.651 6.117 3.046 1.00 2.54 O ATOM 0 HA TYR A 48 -19.080 5.725 2.264 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.610 7.383 3.311 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.633 5.894 4.235 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.704 4.146 3.225 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.539 8.394 3.224 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.260 4.048 3.099 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -13.089 8.306 3.095 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.369 6.452 2.169 1.00 2.54 H new ATOM 727 N GLN A 49 -18.450 7.225 0.396 1.00 1.01 N ATOM 728 CA GLN A 49 -18.202 7.987 -0.816 1.00 1.00 C ATOM 729 C GLN A 49 -17.714 9.381 -0.455 1.00 1.11 C ATOM 730 O GLN A 49 -18.273 10.028 0.431 1.00 1.34 O ATOM 731 CB GLN A 49 -19.483 8.065 -1.644 1.00 1.16 C ATOM 732 CG GLN A 49 -19.850 6.750 -2.309 1.00 1.18 C ATOM 733 CD GLN A 49 -21.324 6.650 -2.643 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.771 7.112 -3.692 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.086 6.020 -1.761 1.00 1.96 N ATOM 0 H GLN A 49 -19.306 7.487 0.885 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.432 7.491 -1.408 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.304 8.380 -1.001 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.366 8.831 -2.410 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.267 6.636 -3.223 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.575 5.926 -1.650 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.675 5.652 -0.903 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.083 5.903 -1.940 1.00 1.96 H new ATOM 744 N VAL A 50 -16.662 9.835 -1.116 1.00 1.04 N ATOM 745 CA VAL A 50 -16.083 11.127 -0.824 1.00 1.18 C ATOM 746 C VAL A 50 -16.307 12.119 -1.954 1.00 1.28 C ATOM 747 O VAL A 50 -16.421 11.743 -3.122 1.00 1.38 O ATOM 748 CB VAL A 50 -14.576 11.009 -0.571 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.304 10.312 0.749 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.894 10.288 -1.723 1.00 1.59 C ATOM 0 H VAL A 50 -16.193 9.321 -1.862 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.583 11.493 0.073 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.159 12.014 -0.509 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -13.228 10.240 0.907 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.753 10.884 1.561 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.736 9.311 0.728 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.825 10.214 -1.524 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.314 9.287 -1.825 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.054 10.845 -2.646 1.00 1.59 H new ATOM 860 N ILE A 57 -15.729 9.588 -5.538 1.00 1.14 N ATOM 861 CA ILE A 57 -15.029 8.329 -5.325 1.00 0.88 C ATOM 862 C ILE A 57 -15.720 7.482 -4.264 1.00 0.85 C ATOM 863 O ILE A 57 -15.867 7.899 -3.112 1.00 0.97 O ATOM 864 CB ILE A 57 -13.561 8.558 -4.898 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.819 9.401 -5.941 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.858 7.221 -4.692 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.405 9.772 -5.538 1.00 0.86 C ATOM 0 HA ILE A 57 -15.047 7.802 -6.279 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.556 9.104 -3.954 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.786 8.851 -6.881 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.385 10.314 -6.125 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.825 7.396 -4.392 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.372 6.656 -3.914 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.874 6.654 -5.623 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.946 10.368 -6.327 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.430 10.350 -4.614 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.821 8.865 -5.382 1.00 0.86 H new ATOM 879 N THR A 58 -16.154 6.302 -4.668 1.00 0.80 N ATOM 880 CA THR A 58 -16.735 5.347 -3.746 1.00 0.80 C ATOM 881 C THR A 58 -15.640 4.483 -3.132 1.00 0.73 C ATOM 882 O THR A 58 -15.090 3.606 -3.795 1.00 0.85 O ATOM 883 CB THR A 58 -17.761 4.447 -4.463 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.699 5.263 -5.177 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.505 3.563 -3.469 1.00 1.28 C ATOM 0 H THR A 58 -16.114 5.982 -5.636 1.00 0.80 H new ATOM 0 HA THR A 58 -17.247 5.901 -2.959 1.00 0.80 H new ATOM 0 HB THR A 58 -17.225 3.803 -5.159 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.350 4.690 -5.634 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.222 2.939 -4.003 1.00 1.28 H new ATOM 0 HG22 THR A 58 -17.792 2.928 -2.943 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.033 4.189 -2.750 1.00 1.28 H new ATOM 893 N PHE A 59 -15.315 4.736 -1.873 1.00 0.65 N ATOM 894 CA PHE A 59 -14.277 3.977 -1.197 1.00 0.64 C ATOM 895 C PHE A 59 -14.866 2.748 -0.537 1.00 0.73 C ATOM 896 O PHE A 59 -15.586 2.850 0.457 1.00 0.83 O ATOM 897 CB PHE A 59 -13.562 4.823 -0.148 1.00 0.64 C ATOM 898 CG PHE A 59 -12.513 5.738 -0.701 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.322 5.236 -1.191 1.00 0.75 C ATOM 900 CD2 PHE A 59 -12.727 7.105 -0.743 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.362 6.080 -1.711 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.769 7.954 -1.260 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.551 7.424 -1.705 1.00 0.70 C ATOM 0 H PHE A 59 -15.754 5.458 -1.302 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.550 3.673 -1.950 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.302 5.419 0.386 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.099 4.159 0.583 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.141 4.172 -1.167 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.654 7.512 -0.367 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -9.454 5.668 -2.126 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -11.957 9.016 -1.321 1.00 0.84 H new ATOM 0 HZ PHE A 59 -9.765 8.083 -2.042 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.212 -0.081 -8.944 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.972 0.467 -8.396 1.00 0.55 C ATOM 1223 C ILE A 81 -9.570 -0.219 -7.095 1.00 0.47 C ATOM 1224 O ILE A 81 -10.321 -0.193 -6.119 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.125 1.980 -8.141 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.424 2.702 -9.452 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.876 2.551 -7.489 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.324 2.545 -10.473 1.00 0.73 C ATOM 0 HA ILE A 81 -9.189 0.288 -9.133 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.959 2.133 -7.456 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.356 2.319 -9.868 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.577 3.762 -9.250 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.010 3.619 -7.320 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.702 2.052 -6.536 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.019 2.392 -8.143 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.594 3.080 -11.384 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.396 2.954 -10.074 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.187 1.488 -10.700 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.393 -0.836 -7.070 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.941 -1.509 -5.876 1.00 0.30 C ATOM 1242 C VAL A 82 -6.863 -0.721 -5.164 1.00 0.25 C ATOM 1243 O VAL A 82 -5.740 -0.608 -5.650 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.386 -2.891 -6.201 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.890 -3.554 -4.939 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.442 -3.734 -6.884 1.00 1.19 C ATOM 0 H VAL A 82 -7.747 -0.879 -7.858 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.811 -1.601 -5.226 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.545 -2.788 -6.887 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.495 -4.541 -5.178 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.103 -2.946 -4.494 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.714 -3.654 -4.233 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.032 -4.718 -7.110 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.303 -3.843 -6.225 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.752 -3.249 -7.809 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.196 -0.196 -4.006 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.213 0.460 -3.179 1.00 0.25 C ATOM 1258 C ILE A 83 -5.554 -0.566 -2.304 1.00 0.27 C ATOM 1259 O ILE A 83 -6.156 -1.090 -1.372 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.823 1.526 -2.259 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.712 2.469 -3.044 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.729 2.295 -1.532 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.956 3.397 -3.970 1.00 1.32 C ATOM 0 H ILE A 83 -8.139 -0.211 -3.618 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.508 0.949 -3.851 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.439 1.022 -1.514 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.418 1.882 -3.631 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.297 3.067 -2.345 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.181 3.046 -0.885 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.138 1.605 -0.930 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.083 2.785 -2.261 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.661 4.040 -4.496 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.269 4.012 -3.388 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.392 2.809 -4.694 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.333 -0.856 -2.625 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.552 -1.802 -1.869 1.00 0.27 C ATOM 1277 C LEU A 84 -2.658 -1.051 -0.878 1.00 0.27 C ATOM 1278 O LEU A 84 -1.608 -0.516 -1.239 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.744 -2.666 -2.844 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.059 -3.884 -2.242 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.732 -3.498 -1.613 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -2.979 -4.544 -1.227 1.00 1.33 C ATOM 0 H LEU A 84 -3.842 -0.446 -3.420 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.196 -2.462 -1.288 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.410 -3.003 -3.638 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.984 -2.039 -3.310 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.849 -4.602 -3.035 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.259 -4.384 -1.189 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.080 -3.068 -2.374 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -0.903 -2.765 -0.825 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.483 -5.415 -0.799 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.214 -3.834 -0.434 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -3.900 -4.856 -1.720 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.095 -0.997 0.369 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.369 -0.270 1.399 1.00 0.28 C ATOM 1296 C VAL A 85 -1.319 -1.161 2.051 1.00 0.27 C ATOM 1297 O VAL A 85 -1.594 -2.308 2.405 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.312 0.281 2.494 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.532 1.126 3.497 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.443 1.090 1.874 1.00 1.20 C ATOM 0 H VAL A 85 -3.950 -1.448 0.694 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.884 0.572 0.904 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.750 -0.564 3.025 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.212 1.505 4.260 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.763 0.514 3.968 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.063 1.963 2.980 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.094 1.468 2.662 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.027 1.928 1.314 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.019 0.454 1.201 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.123 -0.616 2.195 1.00 0.25 N ATOM 1311 CA VAL A 86 0.971 -1.293 2.869 1.00 0.27 C ATOM 1312 C VAL A 86 1.593 -0.339 3.872 1.00 0.24 C ATOM 1313 O VAL A 86 1.089 0.761 4.085 1.00 0.26 O ATOM 1314 CB VAL A 86 2.060 -1.772 1.880 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.528 -2.866 0.975 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.585 -0.614 1.051 1.00 0.95 C ATOM 0 H VAL A 86 0.117 0.312 1.846 1.00 0.25 H new ATOM 0 HA VAL A 86 0.566 -2.175 3.366 1.00 0.27 H new ATOM 0 HB VAL A 86 2.884 -2.180 2.466 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.313 -3.185 0.289 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.207 -3.714 1.580 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.680 -2.486 0.404 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.349 -0.976 0.363 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.766 -0.172 0.483 1.00 0.95 H new ATOM 0 HG23 VAL A 86 3.017 0.139 1.710 1.00 0.95 H new ATOM 1326 N ALA A 87 2.675 -0.747 4.494 1.00 0.28 N ATOM 1327 CA ALA A 87 3.367 0.126 5.417 1.00 0.32 C ATOM 1328 C ALA A 87 4.865 0.050 5.204 1.00 0.46 C ATOM 1329 O ALA A 87 5.395 -1.018 4.895 1.00 0.75 O ATOM 1330 CB ALA A 87 3.000 -0.209 6.848 1.00 0.42 C ATOM 0 H ALA A 87 3.093 -1.670 4.380 1.00 0.28 H new ATOM 0 HA ALA A 87 3.053 1.151 5.222 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.531 0.459 7.526 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.926 -0.087 6.986 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.279 -1.241 7.063 1.00 0.42 H new ATOM 1336 N ALA A 88 5.515 1.199 5.369 1.00 0.37 N ATOM 1337 CA ALA A 88 6.957 1.359 5.165 1.00 0.59 C ATOM 1338 C ALA A 88 7.769 0.147 5.615 1.00 0.53 C ATOM 1339 O ALA A 88 8.433 -0.502 4.803 1.00 1.14 O ATOM 1340 CB ALA A 88 7.437 2.596 5.911 1.00 1.18 C ATOM 0 H ALA A 88 5.049 2.061 5.653 1.00 0.37 H new ATOM 0 HA ALA A 88 7.116 1.464 4.092 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.510 2.718 5.761 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.916 3.475 5.532 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.230 2.482 6.975 1.00 1.18 H new ATOM 1346 N ASP A 89 7.701 -0.166 6.902 1.00 0.56 N ATOM 1347 CA ASP A 89 8.574 -1.180 7.483 1.00 0.93 C ATOM 1348 C ASP A 89 7.941 -2.571 7.489 1.00 0.85 C ATOM 1349 O ASP A 89 8.500 -3.501 8.071 1.00 1.24 O ATOM 1350 CB ASP A 89 8.980 -0.779 8.909 1.00 1.44 C ATOM 1351 CG ASP A 89 7.797 -0.630 9.848 1.00 1.68 C ATOM 1352 OD1 ASP A 89 7.096 0.402 9.775 1.00 1.90 O ATOM 1353 OD2 ASP A 89 7.558 -1.549 10.661 1.00 2.01 O ATOM 0 H ASP A 89 7.054 0.265 7.562 1.00 0.56 H new ATOM 0 HA ASP A 89 9.460 -1.234 6.851 1.00 0.93 H new ATOM 0 HB2 ASP A 89 9.662 -1.529 9.310 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.528 0.163 8.873 1.00 1.44 H new ATOM 1358 N ASP A 90 6.797 -2.734 6.836 1.00 0.48 N ATOM 1359 CA ASP A 90 6.167 -4.053 6.774 1.00 0.46 C ATOM 1360 C ASP A 90 6.128 -4.573 5.348 1.00 0.45 C ATOM 1361 O ASP A 90 6.460 -5.731 5.086 1.00 0.69 O ATOM 1362 CB ASP A 90 4.744 -4.033 7.343 1.00 0.52 C ATOM 1363 CG ASP A 90 4.243 -5.429 7.671 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.901 -6.136 8.462 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.184 -5.826 7.147 1.00 1.09 O ATOM 0 H ASP A 90 6.294 -1.991 6.351 1.00 0.48 H new ATOM 0 HA ASP A 90 6.776 -4.719 7.385 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.722 -3.419 8.243 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.072 -3.566 6.623 1.00 0.52 H new ATOM 1370 N GLY A 91 5.747 -3.703 4.425 1.00 0.36 N ATOM 1371 CA GLY A 91 5.579 -4.110 3.047 1.00 0.36 C ATOM 1372 C GLY A 91 4.232 -4.762 2.824 1.00 0.35 C ATOM 1373 O GLY A 91 3.240 -4.368 3.437 1.00 0.52 O ATOM 0 H GLY A 91 5.551 -2.719 4.607 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.677 -3.242 2.395 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.372 -4.806 2.772 1.00 0.36 H new ATOM 1377 N VAL A 92 4.199 -5.757 1.955 1.00 0.38 N ATOM 1378 CA VAL A 92 2.990 -6.497 1.674 1.00 0.37 C ATOM 1379 C VAL A 92 2.923 -7.751 2.553 1.00 0.36 C ATOM 1380 O VAL A 92 3.666 -8.712 2.354 1.00 0.47 O ATOM 1381 CB VAL A 92 2.936 -6.858 0.172 1.00 0.47 C ATOM 1382 CG1 VAL A 92 4.212 -7.541 -0.278 1.00 1.08 C ATOM 1383 CG2 VAL A 92 1.752 -7.734 -0.130 1.00 1.06 C ATOM 0 H VAL A 92 5.012 -6.072 1.426 1.00 0.38 H new ATOM 0 HA VAL A 92 2.123 -5.880 1.907 1.00 0.37 H new ATOM 0 HB VAL A 92 2.832 -5.925 -0.381 1.00 0.47 H new ATOM 0 HG11 VAL A 92 4.141 -7.782 -1.339 1.00 1.08 H new ATOM 0 HG12 VAL A 92 5.059 -6.875 -0.113 1.00 1.08 H new ATOM 0 HG13 VAL A 92 4.355 -8.458 0.293 1.00 1.08 H new ATOM 0 HG21 VAL A 92 1.738 -7.973 -1.193 1.00 1.06 H new ATOM 0 HG22 VAL A 92 1.824 -8.655 0.448 1.00 1.06 H new ATOM 0 HG23 VAL A 92 0.834 -7.210 0.136 1.00 1.06 H new ATOM 1393 N MET A 93 2.053 -7.723 3.553 1.00 0.29 N ATOM 1394 CA MET A 93 1.883 -8.858 4.448 1.00 0.31 C ATOM 1395 C MET A 93 0.915 -9.862 3.813 1.00 0.31 C ATOM 1396 O MET A 93 0.314 -9.557 2.784 1.00 0.31 O ATOM 1397 CB MET A 93 1.396 -8.364 5.817 1.00 0.36 C ATOM 1398 CG MET A 93 -0.075 -8.008 5.886 1.00 0.67 C ATOM 1399 SD MET A 93 -1.081 -9.382 6.469 1.00 1.32 S ATOM 1400 CE MET A 93 -0.189 -9.787 7.965 1.00 0.65 C ATOM 0 H MET A 93 1.453 -6.925 3.765 1.00 0.29 H new ATOM 0 HA MET A 93 2.833 -9.368 4.605 1.00 0.31 H new ATOM 0 HB2 MET A 93 1.602 -9.136 6.559 1.00 0.36 H new ATOM 0 HB3 MET A 93 1.980 -7.487 6.098 1.00 0.36 H new ATOM 0 HG2 MET A 93 -0.210 -7.154 6.550 1.00 0.67 H new ATOM 0 HG3 MET A 93 -0.419 -7.701 4.898 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.153 -10.821 7.916 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.671 -9.125 8.067 1.00 0.65 H new ATOM 0 HE3 MET A 93 -0.846 -9.663 8.826 1.00 0.65 H new ATOM 1410 N PRO A 94 0.791 -11.083 4.378 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.111 -12.126 3.871 1.00 0.42 C ATOM 1412 C PRO A 94 -1.436 -11.615 3.301 1.00 0.39 C ATOM 1413 O PRO A 94 -1.791 -11.938 2.166 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.352 -12.976 5.111 1.00 0.52 C ATOM 1415 CG PRO A 94 0.938 -12.916 5.855 1.00 0.61 C ATOM 1416 CD PRO A 94 1.560 -11.574 5.540 1.00 0.46 C ATOM 0 HA PRO A 94 0.331 -12.649 3.023 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.175 -12.583 5.709 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.611 -14.001 4.846 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.772 -13.023 6.927 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.598 -13.729 5.552 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.483 -10.891 6.386 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.620 -11.672 5.304 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.157 -10.801 4.062 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.475 -10.371 3.651 1.00 0.43 C ATOM 1426 C GLN A 95 -3.391 -9.309 2.566 1.00 0.36 C ATOM 1427 O GLN A 95 -4.315 -9.147 1.769 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.256 -9.866 4.854 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.380 -10.916 5.939 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.815 -11.170 6.348 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.337 -10.545 7.270 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.466 -12.091 5.656 1.00 1.47 N ATOM 0 H GLN A 95 -1.848 -10.431 4.961 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.003 -11.226 3.229 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.763 -8.983 5.260 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.251 -9.557 4.535 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -3.936 -11.848 5.589 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.809 -10.599 6.812 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.996 -12.587 4.898 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.438 -12.305 5.880 1.00 1.47 H new ATOM 1441 N THR A 96 -2.264 -8.607 2.523 1.00 0.33 N ATOM 1442 CA THR A 96 -2.021 -7.623 1.491 1.00 0.31 C ATOM 1443 C THR A 96 -1.926 -8.309 0.123 1.00 0.29 C ATOM 1444 O THR A 96 -2.173 -7.701 -0.918 1.00 0.34 O ATOM 1445 CB THR A 96 -0.728 -6.856 1.798 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.635 -6.629 3.207 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.701 -5.524 1.083 1.00 0.46 C ATOM 0 H THR A 96 -1.505 -8.707 3.197 1.00 0.33 H new ATOM 0 HA THR A 96 -2.850 -6.916 1.467 1.00 0.31 H new ATOM 0 HB THR A 96 0.115 -7.455 1.452 1.00 0.34 H new ATOM 0 HG1 THR A 96 -1.312 -5.974 3.478 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.227 -5.003 1.319 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.761 -5.687 0.007 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.549 -4.920 1.407 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.585 -9.596 0.143 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.491 -10.389 -1.060 1.00 0.39 C ATOM 1457 C VAL A 97 -2.838 -11.005 -1.416 1.00 0.34 C ATOM 1458 O VAL A 97 -3.231 -11.006 -2.580 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.449 -11.506 -0.885 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.487 -12.470 -2.046 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.932 -10.912 -0.738 1.00 1.05 C ATOM 0 H VAL A 97 -1.368 -10.109 0.998 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.182 -9.728 -1.870 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.693 -12.061 0.021 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.260 -13.250 -1.896 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.476 -12.923 -2.111 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.272 -11.934 -2.971 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.661 -11.713 -0.615 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.176 -10.333 -1.629 1.00 1.05 H new ATOM 0 HG23 VAL A 97 0.957 -10.261 0.136 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.545 -11.519 -0.410 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.839 -12.169 -0.627 1.00 0.40 C ATOM 1473 C GLU A 98 -5.814 -11.230 -1.330 1.00 0.34 C ATOM 1474 O GLU A 98 -6.629 -11.658 -2.148 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.447 -12.632 0.699 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.599 -13.640 1.452 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.353 -14.286 2.596 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.338 -13.742 3.720 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -5.965 -15.351 2.378 1.00 1.55 O ATOM 0 H GLU A 98 -3.244 -11.498 0.564 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.664 -13.037 -1.262 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.609 -11.762 1.335 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.426 -13.070 0.504 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.259 -14.412 0.762 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.709 -13.145 1.840 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.706 -9.945 -1.029 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.605 -8.958 -1.598 1.00 0.27 C ATOM 1488 C ALA A 99 -6.186 -8.625 -3.018 1.00 0.25 C ATOM 1489 O ALA A 99 -7.022 -8.365 -3.878 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.628 -7.707 -0.736 1.00 0.31 C ATOM 0 H ALA A 99 -5.005 -9.563 -0.394 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.613 -9.373 -1.625 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -7.306 -6.975 -1.175 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.969 -7.963 0.267 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.625 -7.284 -0.681 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.886 -8.661 -3.258 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.333 -8.397 -4.576 1.00 0.24 C ATOM 1498 C ILE A 100 -4.556 -9.585 -5.503 1.00 0.28 C ATOM 1499 O ILE A 100 -4.963 -9.412 -6.642 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.836 -8.060 -4.460 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.626 -6.555 -4.621 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.987 -8.840 -5.452 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.182 -6.114 -4.491 1.00 0.38 C ATOM 0 H ILE A 100 -4.186 -8.873 -2.547 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.848 -7.539 -5.008 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.505 -8.362 -3.466 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -3.002 -6.249 -5.597 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.223 -6.034 -3.872 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.939 -8.566 -5.329 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.106 -9.908 -5.272 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.306 -8.606 -6.467 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.119 -5.033 -4.618 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.806 -6.386 -3.505 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.581 -6.605 -5.257 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.278 -10.783 -5.008 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.572 -12.014 -5.720 1.00 0.38 C ATOM 1517 C ASN A 101 -6.021 -12.031 -6.178 1.00 0.37 C ATOM 1518 O ASN A 101 -6.338 -12.486 -7.275 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.313 -13.202 -4.799 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.851 -14.415 -5.561 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.647 -15.253 -5.982 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.551 -14.505 -5.749 1.00 1.55 N ATOM 0 H ASN A 101 -3.841 -10.927 -4.098 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.929 -12.078 -6.598 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.560 -12.930 -4.059 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -5.225 -13.443 -4.252 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.164 -15.296 -6.264 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.931 -13.784 -5.380 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.890 -11.509 -5.324 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.311 -11.434 -5.616 1.00 0.38 C ATOM 1531 C HIS A 102 -8.613 -10.270 -6.557 1.00 0.38 C ATOM 1532 O HIS A 102 -9.571 -10.315 -7.325 1.00 0.47 O ATOM 1533 CB HIS A 102 -9.104 -11.265 -4.312 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.591 -11.303 -4.494 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.329 -12.465 -4.466 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.478 -10.304 -4.698 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.607 -12.179 -4.643 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.726 -10.871 -4.786 1.00 0.77 N ATOM 0 H HIS A 102 -6.630 -11.128 -4.414 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.609 -12.361 -6.106 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.813 -12.053 -3.617 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.829 -10.316 -3.852 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.248 -9.252 -4.777 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.417 -12.893 -4.667 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.599 -10.366 -4.937 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.792 -9.233 -6.497 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.078 -8.003 -7.221 1.00 0.38 C ATOM 1549 C ALA A 103 -7.453 -7.986 -8.610 1.00 0.40 C ATOM 1550 O ALA A 103 -8.093 -7.621 -9.595 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.575 -6.819 -6.424 1.00 0.43 C ATOM 0 H ALA A 103 -6.926 -9.217 -5.958 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.159 -7.944 -7.350 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.789 -5.898 -6.966 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.074 -6.794 -5.455 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.499 -6.911 -6.276 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.201 -8.401 -8.677 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.397 -8.273 -9.881 1.00 0.51 C ATOM 1559 C LYS A 104 -5.947 -9.136 -11.011 1.00 0.50 C ATOM 1560 O LYS A 104 -5.739 -8.845 -12.189 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.955 -8.670 -9.556 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.709 -10.170 -9.575 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.442 -10.531 -8.825 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.228 -9.777 -9.346 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.994 -9.999 -10.797 1.00 2.56 N ATOM 0 H LYS A 104 -5.711 -8.838 -7.896 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.429 -7.238 -10.220 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.287 -8.193 -10.273 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.695 -8.282 -8.571 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.558 -10.685 -9.127 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.634 -10.515 -10.606 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.575 -10.313 -7.765 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.265 -11.603 -8.910 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.361 -8.711 -9.163 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.345 -10.088 -8.788 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.025 -9.944 -10.997 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.349 -10.939 -11.066 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -1.494 -9.270 -11.345 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.678 -10.184 -10.650 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.169 -11.134 -11.635 1.00 0.61 C ATOM 1581 C ALA A 105 -8.541 -10.742 -12.159 1.00 0.66 C ATOM 1582 O ALA A 105 -9.175 -11.500 -12.896 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.197 -12.541 -11.055 1.00 0.72 C ATOM 0 H ALA A 105 -6.942 -10.395 -9.687 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.479 -11.119 -12.479 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.567 -13.237 -11.807 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.190 -12.831 -10.756 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.854 -12.563 -10.186 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.984 -9.551 -11.793 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.222 -9.004 -12.307 1.00 0.70 C ATOM 1591 C ALA A 106 -9.893 -7.976 -13.378 1.00 0.72 C ATOM 1592 O ALA A 106 -10.758 -7.233 -13.836 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.042 -8.386 -11.187 1.00 0.75 C ATOM 0 H ALA A 106 -8.497 -8.942 -11.135 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.823 -9.801 -12.745 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.968 -7.981 -11.595 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.276 -9.148 -10.444 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.471 -7.585 -10.718 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.608 -7.946 -13.744 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.101 -7.095 -14.815 1.00 0.73 C ATOM 1601 C ASN A 107 -8.147 -5.630 -14.404 1.00 0.67 C ATOM 1602 O ASN A 107 -8.473 -4.747 -15.191 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.882 -7.346 -16.093 1.00 0.92 C ATOM 1604 CG ASN A 107 -8.197 -6.810 -17.341 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.311 -7.456 -17.903 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.625 -5.649 -17.810 1.00 2.06 N ATOM 0 H ASN A 107 -7.889 -8.517 -13.300 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.057 -7.345 -15.005 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.040 -8.418 -16.208 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.866 -6.887 -16.003 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -8.219 -5.263 -18.662 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.361 -5.141 -17.319 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.830 -5.385 -13.145 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.796 -4.036 -12.622 1.00 0.49 C ATOM 1615 C VAL A 108 -6.397 -3.684 -12.122 1.00 0.40 C ATOM 1616 O VAL A 108 -5.631 -4.560 -11.710 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.820 -3.851 -11.475 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.669 -5.096 -11.273 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.130 -3.460 -10.179 1.00 1.08 C ATOM 0 H VAL A 108 -7.592 -6.108 -12.466 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.063 -3.364 -13.438 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.485 -3.038 -11.768 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.375 -4.927 -10.460 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.217 -5.316 -12.189 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.025 -5.939 -11.025 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.875 -3.337 -9.393 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.425 -4.240 -9.892 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.594 -2.521 -10.321 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.042 -2.395 -12.197 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.817 -1.869 -11.606 1.00 0.35 C ATOM 1631 C PRO A 109 -4.865 -1.771 -10.084 1.00 0.30 C ATOM 1632 O PRO A 109 -5.930 -1.596 -9.462 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.695 -0.462 -12.175 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.717 -0.357 -13.245 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.781 -1.358 -12.917 1.00 0.48 C ATOM 0 HA PRO A 109 -3.982 -2.531 -11.836 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -4.864 0.287 -11.401 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.695 -0.289 -12.573 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.132 0.650 -13.288 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.279 -0.563 -14.222 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.569 -0.923 -12.303 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.257 -1.751 -13.815 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.684 -1.805 -9.502 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.541 -1.799 -8.054 1.00 0.25 C ATOM 1645 C ILE A 110 -2.825 -0.526 -7.607 1.00 0.23 C ATOM 1646 O ILE A 110 -1.922 -0.034 -8.291 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.794 -3.073 -7.551 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.790 -4.203 -7.241 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -1.931 -2.786 -6.330 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.430 -4.829 -8.461 1.00 0.96 C ATOM 0 H ILE A 110 -2.801 -1.837 -10.011 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.536 -1.814 -7.609 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.132 -3.393 -8.356 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.274 -4.981 -6.678 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.576 -3.810 -6.595 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.430 -3.701 -6.015 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.185 -2.032 -6.581 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.559 -2.419 -5.519 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.117 -5.615 -8.148 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -4.978 -4.067 -9.015 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.656 -5.256 -9.099 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.246 0.023 -6.478 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.627 1.226 -5.948 1.00 0.25 C ATOM 1664 C ILE A 111 -1.922 0.877 -4.679 1.00 0.32 C ATOM 1665 O ILE A 111 -2.412 0.080 -3.919 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.650 2.349 -5.642 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.332 2.839 -6.911 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.000 3.504 -4.908 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.543 2.022 -7.254 1.00 0.53 C ATOM 0 H ILE A 111 -4.012 -0.345 -5.913 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.943 1.602 -6.709 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.413 1.921 -4.991 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.623 3.882 -6.786 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.624 2.803 -7.739 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.745 4.274 -4.709 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.585 3.148 -3.965 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.202 3.922 -5.521 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.996 2.409 -8.167 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.250 0.983 -7.406 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.264 2.080 -6.438 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.770 1.436 -4.457 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.082 1.199 -3.235 1.00 0.20 C ATOM 1683 C VAL A 112 -0.127 2.417 -2.356 1.00 0.20 C ATOM 1684 O VAL A 112 0.069 3.541 -2.814 1.00 0.23 O ATOM 1685 CB VAL A 112 1.371 0.841 -3.476 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.794 -0.213 -2.512 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.577 0.358 -4.894 1.00 0.22 C ATOM 0 H VAL A 112 -0.292 2.058 -5.109 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.584 0.364 -2.747 1.00 0.20 H new ATOM 0 HB VAL A 112 1.979 1.734 -3.327 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.839 -0.468 -2.688 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.677 0.157 -1.494 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.176 -1.100 -2.649 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.627 0.107 -5.044 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.964 -0.526 -5.070 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.289 1.144 -5.592 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.372 2.181 -1.101 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.297 3.217 -0.116 1.00 0.21 C ATOM 1699 C ALA A 113 0.658 2.762 0.955 1.00 0.21 C ATOM 1700 O ALA A 113 0.265 2.136 1.930 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.669 3.511 0.462 1.00 0.25 C ATOM 0 H ALA A 113 -0.629 1.265 -0.732 1.00 0.19 H new ATOM 0 HA ALA A 113 0.061 4.143 -0.566 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.588 4.301 1.208 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.339 3.833 -0.336 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.068 2.610 0.929 1.00 0.25 H new ATOM 1707 N ILE A 114 1.919 3.052 0.732 1.00 0.21 N ATOM 1708 CA ILE A 114 2.966 2.714 1.667 1.00 0.24 C ATOM 1709 C ILE A 114 2.922 3.672 2.844 1.00 0.25 C ATOM 1710 O ILE A 114 3.532 4.729 2.802 1.00 0.30 O ATOM 1711 CB ILE A 114 4.344 2.804 0.990 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.318 2.163 -0.400 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.376 2.124 1.857 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.626 2.293 -1.151 1.00 0.85 C ATOM 0 H ILE A 114 2.248 3.531 -0.106 1.00 0.21 H new ATOM 0 HA ILE A 114 2.809 1.692 2.013 1.00 0.24 H new ATOM 0 HB ILE A 114 4.604 3.856 0.869 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.070 1.106 -0.299 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.524 2.622 -0.988 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.353 2.187 1.378 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.416 2.616 2.829 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.105 1.077 1.991 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.534 1.816 -2.127 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.866 3.348 -1.284 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.421 1.808 -0.584 1.00 0.85 H new ATOM 1726 N ASN A 115 2.204 3.307 3.888 1.00 0.26 N ATOM 1727 CA ASN A 115 1.943 4.231 4.980 1.00 0.31 C ATOM 1728 C ASN A 115 3.100 4.221 5.974 1.00 0.37 C ATOM 1729 O ASN A 115 3.930 3.314 5.952 1.00 0.39 O ATOM 1730 CB ASN A 115 0.627 3.847 5.676 1.00 0.39 C ATOM 1731 CG ASN A 115 0.209 4.819 6.771 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.485 6.020 6.704 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.459 4.300 7.789 1.00 0.69 N ATOM 0 H ASN A 115 1.791 2.382 4.005 1.00 0.26 H new ATOM 0 HA ASN A 115 1.850 5.241 4.580 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.166 3.791 4.930 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.731 2.851 6.106 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -0.766 4.898 8.556 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.667 3.302 7.806 1.00 0.69 H new ATOM 1740 N LYS A 116 3.149 5.246 6.822 1.00 0.49 N ATOM 1741 CA LYS A 116 4.129 5.346 7.902 1.00 0.62 C ATOM 1742 C LYS A 116 5.523 5.678 7.386 1.00 0.57 C ATOM 1743 O LYS A 116 6.515 5.129 7.858 1.00 0.67 O ATOM 1744 CB LYS A 116 4.174 4.063 8.743 1.00 0.78 C ATOM 1745 CG LYS A 116 2.866 3.738 9.449 1.00 1.15 C ATOM 1746 CD LYS A 116 3.017 2.511 10.328 1.00 1.50 C ATOM 1747 CE LYS A 116 1.728 2.176 11.059 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.931 1.099 12.062 1.00 2.61 N ATOM 0 H LYS A 116 2.505 6.036 6.779 1.00 0.49 H new ATOM 0 HA LYS A 116 3.800 6.169 8.537 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.444 3.227 8.097 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.963 4.157 9.489 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.554 4.589 10.055 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.082 3.568 8.711 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.319 1.661 9.716 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.813 2.680 11.054 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.348 3.069 11.555 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.971 1.865 10.339 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 1.030 0.897 12.541 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 2.270 0.239 11.585 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 2.635 1.406 12.763 1.00 2.61 H new ATOM 1762 N MET A 117 5.609 6.583 6.422 1.00 0.58 N ATOM 1763 CA MET A 117 6.905 7.103 6.001 1.00 0.69 C ATOM 1764 C MET A 117 7.158 8.402 6.733 1.00 0.81 C ATOM 1765 O MET A 117 8.104 9.131 6.448 1.00 1.03 O ATOM 1766 CB MET A 117 6.972 7.328 4.501 1.00 0.85 C ATOM 1767 CG MET A 117 5.963 6.497 3.749 1.00 0.81 C ATOM 1768 SD MET A 117 6.509 4.799 3.511 1.00 1.37 S ATOM 1769 CE MET A 117 7.789 5.047 2.290 1.00 0.65 C ATOM 0 H MET A 117 4.809 6.970 5.921 1.00 0.58 H new ATOM 0 HA MET A 117 7.671 6.367 6.245 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.802 8.383 4.287 1.00 0.85 H new ATOM 0 HB3 MET A 117 7.974 7.088 4.145 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.018 6.499 4.293 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.773 6.954 2.778 1.00 0.81 H new ATOM 0 HE1 MET A 117 7.508 4.549 1.362 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.914 6.114 2.106 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.727 4.630 2.656 1.00 0.65 H new ATOM 1852 N ASN A 123 11.952 1.762 3.178 1.00 0.59 N ATOM 1853 CA ASN A 123 12.482 1.543 1.838 1.00 0.57 C ATOM 1854 C ASN A 123 11.367 1.136 0.880 1.00 0.46 C ATOM 1855 O ASN A 123 11.056 -0.048 0.744 1.00 0.52 O ATOM 1856 CB ASN A 123 13.570 0.467 1.849 1.00 0.85 C ATOM 1857 CG ASN A 123 14.321 0.404 0.536 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.970 -0.358 -0.364 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.352 1.219 0.411 1.00 1.84 N ATOM 0 HA ASN A 123 12.921 2.481 1.497 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.272 0.670 2.658 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.118 -0.503 2.055 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.890 1.232 -0.456 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.611 1.836 1.181 1.00 1.84 H new ATOM 1866 N PRO A 124 10.726 2.135 0.238 1.00 0.41 N ATOM 1867 CA PRO A 124 9.736 1.916 -0.820 1.00 0.47 C ATOM 1868 C PRO A 124 10.111 0.785 -1.777 1.00 0.42 C ATOM 1869 O PRO A 124 9.366 -0.172 -1.905 1.00 0.40 O ATOM 1870 CB PRO A 124 9.727 3.253 -1.552 1.00 0.66 C ATOM 1871 CG PRO A 124 10.011 4.261 -0.492 1.00 0.70 C ATOM 1872 CD PRO A 124 10.874 3.574 0.539 1.00 0.46 C ATOM 0 HA PRO A 124 8.771 1.614 -0.414 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.482 3.280 -2.338 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.764 3.438 -2.028 1.00 0.66 H new ATOM 0 HG2 PRO A 124 10.523 5.128 -0.910 1.00 0.70 H new ATOM 0 HG3 PRO A 124 9.086 4.622 -0.044 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.914 3.892 0.463 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.544 3.805 1.552 1.00 0.46 H new ATOM 1880 N ASP A 125 11.274 0.904 -2.426 1.00 0.45 N ATOM 1881 CA ASP A 125 11.765 -0.089 -3.408 1.00 0.45 C ATOM 1882 C ASP A 125 11.580 -1.516 -2.928 1.00 0.38 C ATOM 1883 O ASP A 125 11.080 -2.351 -3.671 1.00 0.33 O ATOM 1884 CB ASP A 125 13.249 0.137 -3.683 1.00 0.56 C ATOM 1885 CG ASP A 125 13.529 1.423 -4.436 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.140 2.502 -3.937 1.00 2.00 O ATOM 1887 OD2 ASP A 125 14.116 1.364 -5.537 1.00 1.28 O ATOM 0 H ASP A 125 11.908 1.691 -2.290 1.00 0.45 H new ATOM 0 HA ASP A 125 11.177 0.049 -4.315 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.789 0.153 -2.736 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.638 -0.704 -4.257 1.00 0.56 H new ATOM 1892 N ARG A 126 11.983 -1.789 -1.694 1.00 0.40 N ATOM 1893 CA ARG A 126 11.820 -3.117 -1.111 1.00 0.40 C ATOM 1894 C ARG A 126 10.374 -3.558 -1.234 1.00 0.34 C ATOM 1895 O ARG A 126 10.076 -4.608 -1.800 1.00 0.32 O ATOM 1896 CB ARG A 126 12.236 -3.098 0.360 1.00 0.47 C ATOM 1897 CG ARG A 126 12.174 -4.457 1.043 1.00 0.58 C ATOM 1898 CD ARG A 126 10.816 -4.706 1.685 1.00 1.25 C ATOM 1899 NE ARG A 126 10.824 -5.885 2.553 1.00 1.38 N ATOM 1900 CZ ARG A 126 9.810 -6.229 3.349 1.00 2.08 C ATOM 1901 NH1 ARG A 126 8.676 -5.540 3.321 1.00 2.99 N ATOM 1902 NH2 ARG A 126 9.920 -7.283 4.150 1.00 2.15 N ATOM 0 H ARG A 126 12.426 -1.109 -1.076 1.00 0.40 H new ATOM 0 HA ARG A 126 12.455 -3.821 -1.648 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.253 -2.713 0.434 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.592 -2.403 0.899 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.380 -5.240 0.313 1.00 0.58 H new ATOM 0 HG3 ARG A 126 12.952 -4.517 1.804 1.00 0.58 H new ATOM 0 HD2 ARG A 126 10.524 -3.831 2.266 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.065 -4.836 0.905 1.00 1.25 H new ATOM 0 HE ARG A 126 11.654 -6.478 2.549 1.00 1.38 H new ATOM 0 HH11 ARG A 126 8.578 -4.745 2.690 1.00 2.99 H new ATOM 0 HH12 ARG A 126 7.903 -5.806 3.931 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.781 -7.831 4.157 1.00 2.15 H new ATOM 0 HH22 ARG A 126 9.144 -7.545 4.758 1.00 2.15 H new ATOM 1916 N VAL A 127 9.494 -2.722 -0.718 1.00 0.34 N ATOM 1917 CA VAL A 127 8.057 -2.977 -0.769 1.00 0.34 C ATOM 1918 C VAL A 127 7.592 -3.080 -2.221 1.00 0.31 C ATOM 1919 O VAL A 127 6.840 -3.977 -2.587 1.00 0.33 O ATOM 1920 CB VAL A 127 7.265 -1.859 -0.058 1.00 0.37 C ATOM 1921 CG1 VAL A 127 5.771 -2.156 -0.070 1.00 0.39 C ATOM 1922 CG2 VAL A 127 7.767 -1.669 1.365 1.00 0.40 C ATOM 0 H VAL A 127 9.747 -1.850 -0.253 1.00 0.34 H new ATOM 0 HA VAL A 127 7.868 -3.919 -0.254 1.00 0.34 H new ATOM 0 HB VAL A 127 7.426 -0.930 -0.605 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.236 -1.353 0.437 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.423 -2.230 -1.100 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.583 -3.098 0.445 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.196 -0.877 1.849 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.643 -2.598 1.922 1.00 0.40 H new ATOM 0 HG23 VAL A 127 8.822 -1.396 1.345 1.00 0.40 H new ATOM 1932 N MET A 128 8.089 -2.164 -3.043 1.00 0.28 N ATOM 1933 CA MET A 128 7.721 -2.093 -4.452 1.00 0.26 C ATOM 1934 C MET A 128 8.131 -3.365 -5.191 1.00 0.25 C ATOM 1935 O MET A 128 7.463 -3.794 -6.136 1.00 0.25 O ATOM 1936 CB MET A 128 8.380 -0.872 -5.110 1.00 0.25 C ATOM 1937 CG MET A 128 8.085 0.448 -4.414 1.00 0.27 C ATOM 1938 SD MET A 128 9.014 1.840 -5.096 1.00 0.30 S ATOM 1939 CE MET A 128 8.134 2.112 -6.629 1.00 0.29 C ATOM 0 H MET A 128 8.757 -1.450 -2.753 1.00 0.28 H new ATOM 0 HA MET A 128 6.637 -1.994 -4.514 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.459 -1.024 -5.133 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.045 -0.807 -6.145 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.019 0.660 -4.490 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.316 0.351 -3.353 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.847 2.323 -7.426 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.560 1.220 -6.882 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.457 2.959 -6.515 1.00 0.29 H new ATOM 1949 N GLN A 129 9.225 -3.978 -4.750 1.00 0.25 N ATOM 1950 CA GLN A 129 9.736 -5.176 -5.392 1.00 0.26 C ATOM 1951 C GLN A 129 8.888 -6.379 -5.021 1.00 0.29 C ATOM 1952 O GLN A 129 8.813 -7.350 -5.771 1.00 0.31 O ATOM 1953 CB GLN A 129 11.199 -5.399 -5.013 1.00 0.29 C ATOM 1954 CG GLN A 129 12.157 -4.470 -5.745 1.00 0.31 C ATOM 1955 CD GLN A 129 13.498 -4.325 -5.048 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.148 -3.280 -5.140 1.00 1.16 O ATOM 1957 NE2 GLN A 129 13.922 -5.364 -4.345 1.00 1.28 N ATOM 0 H GLN A 129 9.773 -3.662 -3.950 1.00 0.25 H new ATOM 0 HA GLN A 129 9.682 -5.045 -6.473 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.315 -5.256 -3.939 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.470 -6.433 -5.228 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.318 -4.847 -6.755 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.697 -3.487 -5.842 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.355 -6.210 -4.293 1.00 1.28 H new ATOM 0 HE22 GLN A 129 14.815 -5.318 -3.855 1.00 1.28 H new ATOM 1966 N GLU A 130 8.229 -6.304 -3.874 1.00 0.33 N ATOM 1967 CA GLU A 130 7.298 -7.346 -3.479 1.00 0.38 C ATOM 1968 C GLU A 130 6.034 -7.222 -4.303 1.00 0.33 C ATOM 1969 O GLU A 130 5.385 -8.210 -4.626 1.00 0.36 O ATOM 1970 CB GLU A 130 6.932 -7.245 -2.006 1.00 0.48 C ATOM 1971 CG GLU A 130 8.054 -6.768 -1.119 1.00 0.71 C ATOM 1972 CD GLU A 130 7.676 -6.788 0.349 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.091 -5.794 0.832 1.00 2.02 O ATOM 1974 OE2 GLU A 130 7.953 -7.808 1.023 1.00 1.46 O ATOM 0 H GLU A 130 8.322 -5.538 -3.206 1.00 0.33 H new ATOM 0 HA GLU A 130 7.781 -8.309 -3.648 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.086 -6.565 -1.900 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.600 -8.223 -1.658 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.930 -7.398 -1.275 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.335 -5.755 -1.406 1.00 0.71 H new ATOM 1981 N LEU A 131 5.687 -5.996 -4.665 1.00 0.29 N ATOM 1982 CA LEU A 131 4.502 -5.787 -5.474 1.00 0.29 C ATOM 1983 C LEU A 131 4.736 -6.315 -6.862 1.00 0.24 C ATOM 1984 O LEU A 131 3.898 -7.014 -7.426 1.00 0.25 O ATOM 1985 CB LEU A 131 4.103 -4.315 -5.520 1.00 0.32 C ATOM 1986 CG LEU A 131 3.166 -3.895 -4.397 1.00 0.48 C ATOM 1987 CD1 LEU A 131 1.969 -4.810 -4.383 1.00 0.34 C ATOM 1988 CD2 LEU A 131 3.877 -3.964 -3.070 1.00 1.06 C ATOM 0 H LEU A 131 6.198 -5.149 -4.417 1.00 0.29 H new ATOM 0 HA LEU A 131 3.677 -6.332 -5.015 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.004 -3.703 -5.476 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.623 -4.108 -6.477 1.00 0.32 H new ATOM 0 HG LEU A 131 2.842 -2.868 -4.565 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.294 -4.514 -3.580 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.448 -4.743 -5.338 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.298 -5.837 -4.221 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.195 -3.661 -2.276 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.213 -4.985 -2.890 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.738 -3.296 -3.083 1.00 1.06 H new ATOM 2000 N MET A 132 5.904 -6.026 -7.388 1.00 0.21 N ATOM 2001 CA MET A 132 6.272 -6.530 -8.687 1.00 0.22 C ATOM 2002 C MET A 132 6.619 -8.011 -8.592 1.00 0.26 C ATOM 2003 O MET A 132 6.832 -8.674 -9.605 1.00 0.32 O ATOM 2004 CB MET A 132 7.420 -5.717 -9.261 1.00 0.23 C ATOM 2005 CG MET A 132 8.798 -6.098 -8.749 1.00 0.26 C ATOM 2006 SD MET A 132 9.691 -7.097 -9.944 1.00 0.35 S ATOM 2007 CE MET A 132 9.195 -6.262 -11.450 1.00 0.32 C ATOM 0 H MET A 132 6.612 -5.447 -6.937 1.00 0.21 H new ATOM 0 HA MET A 132 5.427 -6.429 -9.368 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.411 -5.820 -10.346 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.245 -4.664 -9.040 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.368 -5.195 -8.529 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.700 -6.649 -7.813 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.921 -6.468 -12.236 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.214 -6.622 -11.759 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.148 -5.188 -11.272 1.00 0.32 H new ATOM 2017 N GLU A 133 6.639 -8.537 -7.367 1.00 0.27 N ATOM 2018 CA GLU A 133 6.744 -9.970 -7.162 1.00 0.35 C ATOM 2019 C GLU A 133 5.428 -10.590 -7.584 1.00 0.34 C ATOM 2020 O GLU A 133 5.392 -11.684 -8.140 1.00 0.40 O ATOM 2021 CB GLU A 133 7.056 -10.294 -5.697 1.00 0.44 C ATOM 2022 CG GLU A 133 6.868 -11.757 -5.311 1.00 0.67 C ATOM 2023 CD GLU A 133 7.879 -12.679 -5.956 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.079 -12.567 -5.629 1.00 1.55 O ATOM 2025 OE2 GLU A 133 7.478 -13.535 -6.774 1.00 2.18 O ATOM 0 H GLU A 133 6.584 -7.989 -6.508 1.00 0.27 H new ATOM 0 HA GLU A 133 7.562 -10.377 -7.757 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.087 -10.007 -5.488 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.419 -9.680 -5.060 1.00 0.44 H new ATOM 0 HG2 GLU A 133 6.939 -11.852 -4.227 1.00 0.67 H new ATOM 0 HG3 GLU A 133 5.864 -12.074 -5.594 1.00 0.67 H new ATOM 2032 N TYR A 134 4.334 -9.867 -7.353 1.00 0.30 N ATOM 2033 CA TYR A 134 3.053 -10.302 -7.865 1.00 0.34 C ATOM 2034 C TYR A 134 2.820 -9.690 -9.245 1.00 0.36 C ATOM 2035 O TYR A 134 1.693 -9.566 -9.715 1.00 0.44 O ATOM 2036 CB TYR A 134 1.981 -9.959 -6.852 1.00 0.32 C ATOM 2037 CG TYR A 134 2.391 -10.457 -5.483 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.467 -11.820 -5.225 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.793 -9.580 -4.489 1.00 0.37 C ATOM 2040 CE1 TYR A 134 2.918 -12.291 -4.011 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.263 -10.043 -3.277 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.318 -11.401 -3.040 1.00 0.57 C ATOM 2043 OH TYR A 134 3.809 -11.874 -1.846 1.00 0.74 O ATOM 0 H TYR A 134 4.315 -8.995 -6.824 1.00 0.30 H new ATOM 0 HA TYR A 134 3.024 -11.383 -8.004 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.825 -8.881 -6.825 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.033 -10.411 -7.145 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.168 -12.522 -5.989 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.738 -8.516 -4.666 1.00 0.37 H new ATOM 0 HE1 TYR A 134 2.957 -13.354 -3.822 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.586 -9.346 -2.518 1.00 0.49 H new ATOM 0 HH TYR A 134 4.048 -11.119 -1.269 1.00 0.74 H new ATOM 2053 N ASN A 135 3.943 -9.305 -9.873 1.00 0.35 N ATOM 2054 CA ASN A 135 3.984 -8.778 -11.237 1.00 0.38 C ATOM 2055 C ASN A 135 3.191 -7.491 -11.309 1.00 0.42 C ATOM 2056 O ASN A 135 2.627 -7.125 -12.336 1.00 0.59 O ATOM 2057 CB ASN A 135 3.469 -9.812 -12.252 1.00 0.47 C ATOM 2058 CG ASN A 135 3.719 -9.409 -13.699 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.847 -8.761 -13.956 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 2.921 -9.711 -14.585 1.00 1.89 N flip ATOM 0 H ASN A 135 4.862 -9.354 -9.434 1.00 0.35 H new ATOM 0 HA ASN A 135 5.020 -8.565 -11.500 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.951 -10.771 -12.060 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.399 -9.957 -12.102 1.00 0.47 H new ATOM 0 HD21 ASN A 135 2.063 -10.210 -14.350 1.00 1.89 H new ATOM 0 HD22 ASN A 135 3.117 -9.463 -15.555 1.00 1.89 H new ATOM 2067 N LEU A 136 3.167 -6.806 -10.191 1.00 0.38 N ATOM 2068 CA LEU A 136 2.536 -5.525 -10.100 1.00 0.46 C ATOM 2069 C LEU A 136 3.599 -4.453 -10.147 1.00 0.39 C ATOM 2070 O LEU A 136 3.931 -3.829 -9.139 1.00 0.43 O ATOM 2071 CB LEU A 136 1.717 -5.448 -8.836 1.00 0.62 C ATOM 2072 CG LEU A 136 0.598 -6.475 -8.755 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.249 -6.751 -7.312 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -0.625 -5.995 -9.521 1.00 1.44 C ATOM 0 H LEU A 136 3.588 -7.128 -9.320 1.00 0.38 H new ATOM 0 HA LEU A 136 1.857 -5.373 -10.939 1.00 0.46 H new ATOM 0 HB2 LEU A 136 2.378 -5.579 -7.979 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.286 -4.450 -8.756 1.00 0.62 H new ATOM 0 HG LEU A 136 0.942 -7.403 -9.213 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.553 -7.488 -7.266 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.126 -7.137 -6.793 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.078 -5.828 -6.834 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.415 -6.743 -9.451 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.976 -5.056 -9.094 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -0.362 -5.842 -10.568 1.00 1.44 H new ATOM 2086 N VAL A 137 4.176 -4.307 -11.326 1.00 0.33 N ATOM 2087 CA VAL A 137 5.235 -3.345 -11.545 1.00 0.27 C ATOM 2088 C VAL A 137 4.719 -1.937 -11.358 1.00 0.26 C ATOM 2089 O VAL A 137 3.749 -1.530 -11.985 1.00 0.27 O ATOM 2090 CB VAL A 137 5.850 -3.454 -12.951 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.332 -3.777 -12.848 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.116 -4.491 -13.793 1.00 0.49 C ATOM 0 H VAL A 137 3.924 -4.849 -12.152 1.00 0.33 H new ATOM 0 HA VAL A 137 6.009 -3.570 -10.811 1.00 0.27 H new ATOM 0 HB VAL A 137 5.741 -2.493 -13.453 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.758 -3.852 -13.848 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.839 -2.986 -12.296 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.462 -4.725 -12.326 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.572 -4.546 -14.781 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.181 -5.465 -13.308 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.069 -4.204 -13.892 1.00 0.49 H new ATOM 2102 N PRO A 138 5.353 -1.197 -10.453 1.00 0.25 N ATOM 2103 CA PRO A 138 5.071 0.217 -10.235 1.00 0.27 C ATOM 2104 C PRO A 138 5.002 1.016 -11.520 1.00 0.30 C ATOM 2105 O PRO A 138 5.571 0.644 -12.545 1.00 0.29 O ATOM 2106 CB PRO A 138 6.269 0.695 -9.439 1.00 0.30 C ATOM 2107 CG PRO A 138 6.752 -0.498 -8.709 1.00 0.29 C ATOM 2108 CD PRO A 138 6.368 -1.708 -9.521 1.00 0.27 C ATOM 0 HA PRO A 138 4.105 0.348 -9.748 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.043 1.095 -10.094 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.991 1.492 -8.750 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.833 -0.454 -8.573 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.308 -0.546 -7.715 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.225 -2.122 -10.051 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.969 -2.502 -8.891 1.00 0.27 H new ATOM 2116 N GLU A 139 4.332 2.140 -11.428 1.00 0.35 N ATOM 2117 CA GLU A 139 4.225 3.075 -12.536 1.00 0.40 C ATOM 2118 C GLU A 139 5.538 3.819 -12.673 1.00 0.42 C ATOM 2119 O GLU A 139 5.882 4.318 -13.744 1.00 0.50 O ATOM 2120 CB GLU A 139 3.071 4.034 -12.297 1.00 0.47 C ATOM 2121 CG GLU A 139 1.924 3.870 -13.285 1.00 0.80 C ATOM 2122 CD GLU A 139 2.289 4.318 -14.688 1.00 1.49 C ATOM 2123 OE1 GLU A 139 3.052 3.606 -15.366 1.00 2.01 O ATOM 2124 OE2 GLU A 139 1.811 5.392 -15.118 1.00 1.98 O ATOM 0 H GLU A 139 3.843 2.438 -10.584 1.00 0.35 H new ATOM 0 HA GLU A 139 4.023 2.539 -13.463 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.692 3.887 -11.286 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.443 5.057 -12.352 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.619 2.824 -13.310 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.065 4.444 -12.937 1.00 0.80 H new ATOM 2131 N GLU A 140 6.241 3.912 -11.549 1.00 0.42 N ATOM 2132 CA GLU A 140 7.656 4.206 -11.532 1.00 0.44 C ATOM 2133 C GLU A 140 8.381 3.393 -12.571 1.00 0.43 C ATOM 2134 O GLU A 140 9.145 3.906 -13.385 1.00 0.51 O ATOM 2135 CB GLU A 140 8.227 3.786 -10.189 1.00 0.45 C ATOM 2136 CG GLU A 140 8.168 4.830 -9.133 1.00 0.75 C ATOM 2137 CD GLU A 140 6.755 5.240 -8.787 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.878 4.357 -8.697 1.00 1.01 O ATOM 2139 OE2 GLU A 140 6.523 6.452 -8.584 1.00 1.14 O ATOM 0 H GLU A 140 5.835 3.783 -10.622 1.00 0.42 H new ATOM 0 HA GLU A 140 7.783 5.272 -11.723 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.688 2.905 -9.840 1.00 0.45 H new ATOM 0 HB3 GLU A 140 9.266 3.489 -10.329 1.00 0.45 H new ATOM 0 HG2 GLU A 140 8.663 4.460 -8.235 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.724 5.707 -9.465 1.00 0.75 H new ATOM 2146 N TRP A 141 8.121 2.103 -12.519 1.00 0.35 N ATOM 2147 CA TRP A 141 8.943 1.148 -13.218 1.00 0.35 C ATOM 2148 C TRP A 141 8.356 0.814 -14.584 1.00 0.38 C ATOM 2149 O TRP A 141 9.076 0.402 -15.491 1.00 0.45 O ATOM 2150 CB TRP A 141 9.156 -0.096 -12.376 1.00 0.32 C ATOM 2151 CG TRP A 141 9.631 0.169 -10.955 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.985 1.370 -10.362 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.774 -0.820 -9.930 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.325 1.161 -9.049 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.208 -0.166 -8.762 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.576 -2.196 -9.893 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.431 -0.843 -7.566 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.791 -2.871 -8.706 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.217 -2.192 -7.552 1.00 0.23 C ATOM 0 H TRP A 141 7.345 1.695 -11.998 1.00 0.35 H new ATOM 0 HA TRP A 141 9.920 1.599 -13.390 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.220 -0.653 -12.333 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.885 -0.735 -12.875 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.992 2.329 -10.859 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.619 1.884 -8.392 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.259 -2.729 -10.777 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.761 -0.320 -6.681 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.629 -3.938 -8.665 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.378 -2.746 -6.639 1.00 0.23 H new ATOM 2170 N GLY A 142 7.049 0.996 -14.736 1.00 0.35 N ATOM 2171 CA GLY A 142 6.453 0.899 -16.052 1.00 0.39 C ATOM 2172 C GLY A 142 5.476 -0.239 -16.153 1.00 0.38 C ATOM 2173 O GLY A 142 5.277 -0.805 -17.227 1.00 0.45 O ATOM 0 H GLY A 142 6.399 1.207 -13.979 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.944 1.834 -16.288 1.00 0.39 H new ATOM 0 HA3 GLY A 142 7.239 0.767 -16.796 1.00 0.39 H new ATOM 2177 N GLY A 143 4.883 -0.592 -15.032 1.00 0.33 N ATOM 2178 CA GLY A 143 3.886 -1.634 -15.034 1.00 0.34 C ATOM 2179 C GLY A 143 2.481 -1.090 -14.936 1.00 0.37 C ATOM 2180 O GLY A 143 2.020 -0.372 -15.823 1.00 0.50 O ATOM 0 H GLY A 143 5.073 -0.177 -14.120 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.982 -2.222 -15.947 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.070 -2.310 -14.199 1.00 0.34 H new ATOM 2184 N ASP A 144 1.808 -1.419 -13.846 1.00 0.33 N ATOM 2185 CA ASP A 144 0.420 -1.017 -13.649 1.00 0.40 C ATOM 2186 C ASP A 144 0.092 -0.883 -12.165 1.00 0.30 C ATOM 2187 O ASP A 144 -1.031 -1.170 -11.717 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.537 -2.012 -14.328 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.402 -3.437 -13.804 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.601 -4.107 -14.146 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.297 -3.894 -13.062 1.00 1.30 O ATOM 0 H ASP A 144 2.200 -1.966 -13.079 1.00 0.33 H new ATOM 0 HA ASP A 144 0.286 -0.040 -14.113 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.563 -1.675 -14.182 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.350 -2.009 -15.402 1.00 0.57 H new ATOM 2196 N THR A 145 1.069 -0.439 -11.392 1.00 0.25 N ATOM 2197 CA THR A 145 0.854 -0.268 -9.964 1.00 0.24 C ATOM 2198 C THR A 145 1.318 1.104 -9.482 1.00 0.24 C ATOM 2199 O THR A 145 2.505 1.423 -9.511 1.00 0.31 O ATOM 2200 CB THR A 145 1.555 -1.386 -9.179 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.187 -2.647 -9.747 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.161 -1.365 -7.711 1.00 0.28 C ATOM 0 H THR A 145 2.003 -0.194 -11.721 1.00 0.25 H new ATOM 0 HA THR A 145 -0.219 -0.331 -9.781 1.00 0.24 H new ATOM 0 HB THR A 145 2.632 -1.232 -9.243 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.246 -2.833 -9.548 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.675 -2.169 -7.185 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.441 -0.407 -7.273 1.00 0.28 H new ATOM 0 HG23 THR A 145 0.084 -1.503 -7.621 1.00 0.28 H new ATOM 2210 N ILE A 146 0.367 1.912 -9.040 1.00 0.26 N ATOM 2211 CA ILE A 146 0.647 3.276 -8.617 1.00 0.27 C ATOM 2212 C ILE A 146 1.101 3.298 -7.160 1.00 0.24 C ATOM 2213 O ILE A 146 0.313 3.038 -6.252 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.588 4.198 -8.786 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -0.978 4.348 -10.264 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.316 5.563 -8.177 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.698 3.149 -10.850 1.00 1.23 C ATOM 0 H ILE A 146 -0.614 1.644 -8.964 1.00 0.26 H new ATOM 0 HA ILE A 146 1.444 3.654 -9.257 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.423 3.733 -8.262 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.615 5.226 -10.371 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.076 4.535 -10.847 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.192 6.199 -8.304 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.099 5.451 -7.115 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.539 6.020 -8.675 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.935 3.342 -11.896 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.058 2.270 -10.779 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.620 2.972 -10.296 1.00 1.23 H new ATOM 2229 N PHE A 147 2.367 3.609 -6.946 1.00 0.23 N ATOM 2230 CA PHE A 147 2.943 3.615 -5.608 1.00 0.22 C ATOM 2231 C PHE A 147 2.850 4.988 -4.971 1.00 0.24 C ATOM 2232 O PHE A 147 3.125 6.010 -5.605 1.00 0.38 O ATOM 2233 CB PHE A 147 4.398 3.160 -5.648 1.00 0.23 C ATOM 2234 CG PHE A 147 4.534 1.676 -5.541 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.344 0.868 -6.646 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.823 1.086 -4.325 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.442 -0.505 -6.539 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.918 -0.285 -4.211 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.731 -1.081 -5.322 1.00 0.19 C ATOM 0 H PHE A 147 3.022 3.863 -7.686 1.00 0.23 H new ATOM 0 HA PHE A 147 2.367 2.917 -5.001 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.856 3.498 -6.578 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.946 3.632 -4.833 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.117 1.315 -7.603 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.976 1.706 -3.454 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.292 -1.127 -7.409 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.138 -0.735 -3.254 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.811 -2.155 -5.237 1.00 0.19 H new ATOM 2249 N CYS A 148 2.445 4.997 -3.716 1.00 0.25 N ATOM 2250 CA CYS A 148 2.384 6.210 -2.932 1.00 0.28 C ATOM 2251 C CYS A 148 3.006 5.965 -1.571 1.00 0.26 C ATOM 2252 O CYS A 148 2.630 5.021 -0.886 1.00 0.32 O ATOM 2253 CB CYS A 148 0.931 6.641 -2.745 1.00 0.30 C ATOM 2254 SG CYS A 148 0.001 6.817 -4.286 1.00 1.10 S ATOM 0 H CYS A 148 2.149 4.161 -3.213 1.00 0.25 H new ATOM 0 HA CYS A 148 2.930 6.996 -3.454 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.427 5.911 -2.112 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.912 7.592 -2.213 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.273 6.761 -4.033 1.00 1.10 H new ATOM 2260 N LYS A 149 3.963 6.787 -1.187 1.00 0.37 N ATOM 2261 CA LYS A 149 4.492 6.722 0.162 1.00 0.38 C ATOM 2262 C LYS A 149 3.719 7.678 1.061 1.00 0.39 C ATOM 2263 O LYS A 149 3.794 8.897 0.920 1.00 0.47 O ATOM 2264 CB LYS A 149 5.996 6.983 0.192 1.00 0.47 C ATOM 2265 CG LYS A 149 6.488 8.045 -0.773 1.00 0.64 C ATOM 2266 CD LYS A 149 8.005 8.028 -0.847 1.00 0.94 C ATOM 2267 CE LYS A 149 8.539 8.951 -1.927 1.00 1.57 C ATOM 2268 NZ LYS A 149 10.012 8.817 -2.067 1.00 2.44 N ATOM 0 H LYS A 149 4.386 7.500 -1.781 1.00 0.37 H new ATOM 0 HA LYS A 149 4.357 5.711 0.546 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.277 7.276 1.203 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.515 6.049 -0.025 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.067 7.870 -1.763 1.00 0.64 H new ATOM 0 HG3 LYS A 149 6.144 9.027 -0.450 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.417 8.324 0.118 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.346 7.011 -1.040 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.058 8.720 -2.877 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.286 9.983 -1.685 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 10.350 9.459 -2.812 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 10.470 9.061 -1.166 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 10.249 7.837 -2.321 1.00 2.44 H new ATOM 2282 N LEU A 150 2.957 7.087 1.961 1.00 0.40 N ATOM 2283 CA LEU A 150 1.941 7.779 2.724 1.00 0.45 C ATOM 2284 C LEU A 150 2.413 8.513 3.942 1.00 0.45 C ATOM 2285 O LEU A 150 3.558 8.418 4.391 1.00 0.49 O ATOM 2286 CB LEU A 150 0.947 6.783 3.264 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.209 6.416 2.386 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.365 7.317 2.759 1.00 1.25 C ATOM 2289 CD2 LEU A 150 0.168 6.552 0.928 1.00 1.27 C ATOM 0 H LEU A 150 3.029 6.095 2.185 1.00 0.40 H new ATOM 0 HA LEU A 150 1.544 8.500 2.009 1.00 0.45 H new ATOM 0 HB2 LEU A 150 1.487 5.868 3.510 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.548 7.178 4.198 1.00 0.60 H new ATOM 0 HG LEU A 150 -0.496 5.375 2.533 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -2.228 7.078 2.138 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.620 7.166 3.808 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -1.081 8.357 2.601 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.684 6.281 0.305 1.00 1.27 H new ATOM 0 HD22 LEU A 150 0.456 7.583 0.721 1.00 1.27 H new ATOM 0 HD23 LEU A 150 1.005 5.890 0.705 1.00 1.27 H new ATOM 2301 N SER A 151 1.427 9.206 4.476 1.00 0.49 N ATOM 2302 CA SER A 151 1.421 9.715 5.812 1.00 0.55 C ATOM 2303 C SER A 151 0.064 10.359 6.100 1.00 0.57 C ATOM 2304 O SER A 151 -0.211 11.487 5.691 1.00 0.60 O ATOM 2305 CB SER A 151 2.585 10.671 6.022 1.00 0.66 C ATOM 2306 OG SER A 151 2.629 11.662 5.010 1.00 1.79 O ATOM 0 H SER A 151 0.577 9.433 3.960 1.00 0.49 H new ATOM 0 HA SER A 151 1.559 8.902 6.525 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.494 11.149 6.997 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.521 10.112 6.027 1.00 0.66 H new ATOM 0 HG SER A 151 2.611 12.551 5.422 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.795 9.611 6.779 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.178 10.027 6.996 1.00 0.70 C ATOM 2314 C ALA A 152 -2.292 11.067 8.105 1.00 0.74 C ATOM 2315 O ALA A 152 -3.293 11.776 8.207 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.033 8.814 7.318 1.00 0.86 C ATOM 0 H ALA A 152 -0.559 8.709 7.192 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.537 10.493 6.078 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.064 9.128 7.479 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.994 8.110 6.487 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.655 8.332 8.220 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.256 11.164 8.923 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.247 12.091 10.038 1.00 0.93 C ATOM 2324 C LYS A 153 -0.900 13.486 9.553 1.00 0.86 C ATOM 2325 O LYS A 153 -1.596 14.460 9.837 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.243 11.616 11.089 1.00 1.13 C ATOM 2327 CG LYS A 153 1.185 11.456 10.581 1.00 1.19 C ATOM 2328 CD LYS A 153 2.102 10.864 11.640 1.00 1.68 C ATOM 2329 CE LYS A 153 1.709 9.435 11.985 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.684 8.801 12.910 1.00 3.03 N ATOM 0 H LYS A 153 -0.406 10.607 8.833 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.238 12.125 10.490 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.242 12.325 11.917 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.581 10.660 11.488 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.187 10.814 9.700 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.570 12.427 10.269 1.00 1.19 H new ATOM 0 HD2 LYS A 153 3.132 10.883 11.282 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.066 11.479 12.539 1.00 1.68 H new ATOM 0 HE2 LYS A 153 0.719 9.431 12.442 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.640 8.846 11.070 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.381 7.829 13.121 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.623 8.782 12.464 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 2.731 9.348 13.793 1.00 3.03 H new ATOM 2344 N THR A 154 0.178 13.553 8.803 1.00 0.78 N ATOM 2345 CA THR A 154 0.647 14.797 8.218 1.00 0.81 C ATOM 2346 C THR A 154 -0.103 15.125 6.928 1.00 0.73 C ATOM 2347 O THR A 154 0.140 16.154 6.302 1.00 0.82 O ATOM 2348 CB THR A 154 2.156 14.720 7.948 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.477 13.421 7.437 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.949 14.981 9.220 1.00 1.20 C ATOM 0 H THR A 154 0.759 12.745 8.579 1.00 0.78 H new ATOM 0 HA THR A 154 0.451 15.597 8.932 1.00 0.81 H new ATOM 0 HB THR A 154 2.421 15.484 7.217 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.440 13.367 7.261 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.015 14.921 9.003 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.711 15.975 9.599 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.689 14.234 9.970 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.001 14.213 6.540 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.920 14.409 5.410 1.00 0.67 C ATOM 2360 C LYS A 155 -1.239 14.256 4.046 1.00 0.66 C ATOM 2361 O LYS A 155 -1.919 14.235 3.018 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.615 15.775 5.497 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.126 15.688 5.657 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.520 15.019 6.965 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.031 14.923 7.104 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.668 16.263 7.232 1.00 2.27 N ATOM 0 H LYS A 155 -1.112 13.311 7.004 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.665 13.617 5.488 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.201 16.329 6.339 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.387 16.346 4.597 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.553 16.690 5.618 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.548 15.129 4.822 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.084 14.021 7.011 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.111 15.584 7.802 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.442 14.408 6.236 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.277 14.320 7.978 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.177 16.321 8.137 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.935 17.000 7.199 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -7.338 16.405 6.449 1.00 2.27 H new ATOM 2380 N GLU A 156 0.084 14.113 4.030 1.00 0.62 N ATOM 2381 CA GLU A 156 0.818 14.006 2.768 1.00 0.66 C ATOM 2382 C GLU A 156 0.424 12.733 2.024 1.00 0.59 C ATOM 2383 O GLU A 156 0.322 12.718 0.796 1.00 0.58 O ATOM 2384 CB GLU A 156 2.324 14.019 3.022 1.00 0.75 C ATOM 2385 CG GLU A 156 2.830 15.313 3.633 1.00 1.13 C ATOM 2386 CD GLU A 156 2.663 16.497 2.705 1.00 1.78 C ATOM 2387 OE1 GLU A 156 3.571 16.757 1.892 1.00 2.03 O ATOM 2388 OE2 GLU A 156 1.616 17.173 2.781 1.00 2.64 O ATOM 0 H GLU A 156 0.666 14.069 4.866 1.00 0.62 H new ATOM 0 HA GLU A 156 0.559 14.866 2.150 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.579 13.191 3.684 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.844 13.845 2.080 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.294 15.506 4.563 1.00 1.13 H new ATOM 0 HG3 GLU A 156 3.884 15.202 3.889 1.00 1.13 H new ATOM 2395 N GLY A 157 0.201 11.671 2.789 1.00 0.62 N ATOM 2396 CA GLY A 157 -0.245 10.417 2.229 1.00 0.61 C ATOM 2397 C GLY A 157 -1.569 10.543 1.509 1.00 0.48 C ATOM 2398 O GLY A 157 -1.741 10.028 0.406 1.00 0.46 O ATOM 0 H GLY A 157 0.324 11.661 3.801 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.508 10.044 1.535 1.00 0.61 H new ATOM 0 HA3 GLY A 157 -0.337 9.679 3.026 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.498 11.250 2.138 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.870 11.331 1.659 1.00 0.50 C ATOM 2404 C LEU A 158 -3.966 12.082 0.340 1.00 0.46 C ATOM 2405 O LEU A 158 -4.561 11.585 -0.616 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.748 12.014 2.704 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.867 11.277 4.036 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.750 12.062 4.988 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -5.423 9.876 3.826 1.00 1.27 C ATOM 0 H LEU A 158 -2.322 11.781 2.991 1.00 0.48 H new ATOM 0 HA LEU A 158 -4.220 10.313 1.491 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -4.351 13.011 2.893 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.747 12.143 2.288 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.873 11.186 4.474 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.829 11.528 5.935 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.314 13.046 5.161 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.743 12.177 4.553 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -5.500 9.367 4.787 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -6.411 9.941 3.370 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -4.757 9.315 3.171 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.379 13.272 0.295 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.469 14.119 -0.890 1.00 0.57 C ATOM 2423 C ASP A 159 -2.923 13.404 -2.116 1.00 0.50 C ATOM 2424 O ASP A 159 -3.613 13.287 -3.128 1.00 0.52 O ATOM 2425 CB ASP A 159 -2.721 15.434 -0.683 1.00 0.73 C ATOM 2426 CG ASP A 159 -2.731 16.298 -1.930 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.800 16.841 -2.274 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -1.669 16.431 -2.578 1.00 2.50 O ATOM 0 H ASP A 159 -2.838 13.672 1.061 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.524 14.338 -1.054 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.175 15.983 0.142 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -1.691 15.223 -0.397 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.695 12.904 -2.014 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.055 12.238 -3.144 1.00 0.46 C ATOM 2435 C HIS A 160 -1.853 11.010 -3.574 1.00 0.41 C ATOM 2436 O HIS A 160 -1.918 10.692 -4.758 1.00 0.43 O ATOM 2437 CB HIS A 160 0.386 11.829 -2.804 1.00 0.50 C ATOM 2438 CG HIS A 160 1.139 11.265 -3.978 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.424 9.985 -4.323 1.00 0.67 N flip ATOM 2440 CD2 HIS A 160 1.670 12.052 -4.977 1.00 0.59 C flip ATOM 2441 CE1 HIS A 160 2.115 10.029 -5.510 1.00 0.73 C flip ATOM 2442 NE2 HIS A 160 2.247 11.286 -5.886 1.00 0.67 N flip ATOM 0 H HIS A 160 -1.127 12.946 -1.168 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.028 12.949 -3.970 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.922 12.698 -2.421 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.367 11.089 -2.004 1.00 0.50 H new ATOM 0 HD1 HIS A 160 1.173 9.146 -3.799 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.622 13.130 -5.012 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.490 9.171 -6.049 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.455 10.331 -2.608 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.229 9.132 -2.891 1.00 0.39 C ATOM 2453 C LEU A 161 -4.456 9.458 -3.733 1.00 0.39 C ATOM 2454 O LEU A 161 -4.628 8.908 -4.821 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.651 8.454 -1.585 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.437 7.156 -1.754 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.617 6.147 -2.540 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.827 6.587 -0.401 1.00 0.88 C ATOM 0 H LEU A 161 -2.422 10.590 -1.622 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.598 8.448 -3.459 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.757 8.246 -0.997 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.256 9.154 -1.009 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.350 7.372 -2.308 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.187 5.225 -2.655 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.384 6.555 -3.524 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.690 5.936 -2.006 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.386 5.662 -0.543 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.928 6.382 0.180 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.447 7.308 0.132 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.288 10.371 -3.238 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.515 10.765 -3.924 1.00 0.44 C ATOM 2472 C LEU A 162 -6.218 11.221 -5.347 1.00 0.45 C ATOM 2473 O LEU A 162 -6.959 10.902 -6.277 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.197 11.895 -3.151 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.598 11.560 -1.713 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.170 12.787 -1.016 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.604 10.419 -1.690 1.00 1.06 C ATOM 0 H LEU A 162 -5.132 10.856 -2.355 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.178 9.901 -3.970 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.527 12.755 -3.132 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.090 12.198 -3.698 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.705 11.243 -1.175 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.449 12.528 0.005 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.420 13.578 -0.998 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.051 13.135 -1.556 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.877 10.195 -0.659 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.495 10.709 -2.247 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.161 9.534 -2.148 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.114 11.945 -5.511 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.720 12.457 -6.820 1.00 0.52 C ATOM 2491 C GLU A 163 -4.419 11.311 -7.784 1.00 0.51 C ATOM 2492 O GLU A 163 -4.791 11.359 -8.954 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.493 13.363 -6.701 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.709 14.580 -5.815 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.795 15.504 -6.326 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.623 16.088 -7.419 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -5.836 15.632 -5.652 1.00 2.49 O ATOM 0 H GLU A 163 -4.476 12.190 -4.754 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.554 13.039 -7.213 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.661 12.781 -6.305 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.203 13.698 -7.697 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.967 14.248 -4.809 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.775 15.136 -5.738 1.00 1.06 H new ATOM 2504 N MET A 164 -3.753 10.276 -7.282 1.00 0.49 N ATOM 2505 CA MET A 164 -3.403 9.127 -8.111 1.00 0.52 C ATOM 2506 C MET A 164 -4.645 8.310 -8.431 1.00 0.51 C ATOM 2507 O MET A 164 -4.804 7.809 -9.542 1.00 0.57 O ATOM 2508 CB MET A 164 -2.370 8.246 -7.407 1.00 0.53 C ATOM 2509 CG MET A 164 -1.054 8.943 -7.078 1.00 0.68 C ATOM 2510 SD MET A 164 -0.098 9.429 -8.533 1.00 0.87 S ATOM 2511 CE MET A 164 -0.893 10.970 -8.996 1.00 0.67 C ATOM 0 H MET A 164 -3.446 10.209 -6.312 1.00 0.49 H new ATOM 0 HA MET A 164 -2.970 9.497 -9.040 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.806 7.867 -6.482 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.160 7.382 -8.037 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.264 9.830 -6.480 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.447 8.280 -6.462 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.145 11.666 -9.375 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.635 10.778 -9.771 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.383 11.403 -8.124 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.524 8.195 -7.443 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.772 7.474 -7.574 1.00 0.51 C ATOM 2523 C ILE A 165 -7.608 8.014 -8.737 1.00 0.58 C ATOM 2524 O ILE A 165 -8.011 7.262 -9.627 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.565 7.594 -6.256 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.859 6.827 -5.136 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.982 7.102 -6.425 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.491 7.021 -3.777 1.00 0.50 C ATOM 0 H ILE A 165 -5.383 8.606 -6.520 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.549 6.428 -7.782 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.608 8.648 -5.983 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.859 5.764 -5.379 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.817 7.144 -5.091 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.516 7.199 -5.480 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.485 7.696 -7.188 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.970 6.055 -6.729 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.938 6.448 -3.033 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.467 8.078 -3.512 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.525 6.677 -3.804 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.852 9.322 -8.744 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.668 9.922 -9.786 1.00 0.72 C ATOM 2542 C LEU A 166 -7.940 9.971 -11.118 1.00 0.72 C ATOM 2543 O LEU A 166 -8.566 9.913 -12.176 1.00 0.81 O ATOM 2544 CB LEU A 166 -9.136 11.319 -9.391 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.102 12.245 -8.745 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.312 13.002 -9.801 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.784 13.215 -7.794 1.00 1.48 C ATOM 0 H LEU A 166 -7.499 9.977 -8.047 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.544 9.284 -9.904 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.520 11.812 -10.284 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.973 11.213 -8.701 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.403 11.631 -8.177 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.585 13.652 -9.315 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -6.791 12.292 -10.444 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -7.993 13.605 -10.402 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -8.037 13.867 -7.342 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.506 13.818 -8.345 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.299 12.657 -7.012 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.622 10.091 -11.059 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.782 10.046 -12.253 1.00 0.79 C ATOM 2561 C LEU A 167 -6.051 8.770 -13.049 1.00 0.87 C ATOM 2562 O LEU A 167 -6.028 8.770 -14.281 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.300 10.115 -11.862 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.316 10.150 -13.036 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.517 11.408 -13.868 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.883 10.058 -12.530 1.00 1.41 C ATOM 0 H LEU A 167 -6.105 10.222 -10.190 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.025 10.906 -12.877 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.143 11.004 -11.251 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.065 9.253 -11.238 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.509 9.289 -13.675 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.809 11.413 -14.696 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.534 11.426 -14.260 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.353 12.287 -13.244 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.196 10.084 -13.376 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.676 10.899 -11.868 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.750 9.125 -11.983 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.352 7.693 -12.332 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.563 6.396 -12.940 1.00 0.96 C ATOM 2580 C VAL A 168 -7.941 6.328 -13.590 1.00 1.01 C ATOM 2581 O VAL A 168 -8.133 5.651 -14.602 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.412 5.280 -11.890 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.769 3.939 -12.484 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.995 5.253 -11.344 1.00 1.14 C ATOM 0 H VAL A 168 -6.455 7.700 -11.317 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.808 6.251 -13.713 1.00 0.96 H new ATOM 0 HB VAL A 168 -7.098 5.488 -11.069 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.656 3.164 -11.726 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.802 3.958 -12.832 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.107 3.725 -13.323 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.906 4.459 -10.603 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.295 5.070 -12.159 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.766 6.211 -10.878 1.00 1.14 H new