USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 97:sc= 0.882 USER MOD Set 1.2: A 154 THR OG1 : rot -130:sc= -2.41! USER MOD Set 2.1: A 16 HIS :FLIP no HE2:sc= -8.16! C(o=-18!,f=-17!) USER MOD Set 2.2: A 19 HIS : no HD1:sc= -5.71! C(o=-17!,f=-30!) USER MOD Set 2.3: A 96 THR OG1 : rot -166:sc= -3.19! USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.0732 USER MOD Single : A 14 MET CE :methyl -158:sc= 0 (180deg=-0.115) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 23 THR OG1 : rot -178:sc= -1.92! USER MOD Single : A 93 MET CE :methyl -121:sc= -0.0289 (180deg=-0.458) USER MOD Single : A 95 GLN : amide:sc= -2.83! C(o=-2.8!,f=-4.4!) USER MOD Single : A 101 ASN : amide:sc= -2.16! X(o=-2.2!,f=-2.2) USER MOD Single : A 102 HIS : no HD1:sc= -0.215 X(o=-0.22,f=6.1e-05) USER MOD Single : A 104 LYS NZ :NH3+ -115:sc= 2.28 (180deg=-0.683) USER MOD Single : A 107 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.8!) USER MOD Single : A 115 ASN : amide:sc= -6.05! C(o=-6!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -175:sc= 1.09 (180deg=0.993) USER MOD Single : A 117 MET CE :methyl -115:sc= -1.78 (180deg=-6.82!) USER MOD Single : A 119 LYS NZ :NH3+ 148:sc= 2.42 (180deg=2.2) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.277 F(o=-1.4,f=-0.28) USER MOD Single : A 128 MET CE :methyl -106:sc= -2.59 (180deg=-9.72!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0.00092) USER MOD Single : A 132 MET CE :methyl -144:sc= -9.66! (180deg=-17.3!) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 135 ASN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 145 THR OG1 : rot -9:sc= -0.165 USER MOD Single : A 148 CYS SG : rot -120:sc= -0.199 USER MOD Single : A 149 LYS NZ :NH3+ -116:sc= 0.01 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 139:sc= 0.874 (180deg=-0.733!) USER MOD Single : A 155 LYS NZ :NH3+ 159:sc= -0.174 (180deg=-0.684) USER MOD Single : A 160 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=-0.026) USER MOD Single : A 164 MET CE :methyl -123:sc= -4.01! (180deg=-5.49!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.932 -3.572 -0.589 1.00 0.44 N ATOM 172 CA THR A 12 -11.610 -4.387 0.570 1.00 0.45 C ATOM 173 C THR A 12 -10.550 -3.692 1.431 1.00 0.41 C ATOM 174 O THR A 12 -9.484 -3.321 0.940 1.00 0.50 O ATOM 175 CB THR A 12 -11.105 -5.783 0.145 1.00 0.54 C ATOM 176 OG1 THR A 12 -12.096 -6.438 -0.655 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.788 -6.643 1.360 1.00 0.64 C ATOM 0 HA THR A 12 -12.521 -4.513 1.154 1.00 0.45 H new ATOM 0 HB THR A 12 -10.192 -5.650 -0.435 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.555 -5.776 -1.213 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.435 -7.620 1.032 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.015 -6.159 1.957 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.687 -6.766 1.963 1.00 0.64 H new ATOM 185 N ILE A 13 -10.856 -3.501 2.707 1.00 0.40 N ATOM 186 CA ILE A 13 -9.935 -2.841 3.623 1.00 0.40 C ATOM 187 C ILE A 13 -9.124 -3.870 4.405 1.00 0.37 C ATOM 188 O ILE A 13 -9.680 -4.792 5.003 1.00 0.52 O ATOM 189 CB ILE A 13 -10.677 -1.912 4.613 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.473 -0.849 3.850 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.690 -1.254 5.570 1.00 1.26 C ATOM 192 CD1 ILE A 13 -12.227 0.106 4.750 1.00 1.30 C ATOM 0 H ILE A 13 -11.736 -3.794 3.132 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.264 -2.232 3.017 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.373 -2.514 5.197 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.790 -0.279 3.220 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.181 -1.345 3.186 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.229 -0.604 6.259 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.163 -2.023 6.134 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.971 -0.664 5.002 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.767 0.830 4.141 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.935 -0.453 5.362 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.523 0.629 5.397 1.00 1.30 H new ATOM 204 N MET A 14 -7.811 -3.712 4.384 1.00 0.26 N ATOM 205 CA MET A 14 -6.915 -4.596 5.083 1.00 0.28 C ATOM 206 C MET A 14 -5.845 -3.788 5.793 1.00 0.24 C ATOM 207 O MET A 14 -5.785 -2.568 5.648 1.00 0.29 O ATOM 208 CB MET A 14 -6.261 -5.556 4.102 1.00 0.36 C ATOM 209 CG MET A 14 -7.175 -6.658 3.605 1.00 0.49 C ATOM 210 SD MET A 14 -6.350 -7.774 2.453 1.00 0.79 S ATOM 211 CE MET A 14 -7.644 -8.972 2.183 1.00 0.69 C ATOM 0 H MET A 14 -7.342 -2.961 3.877 1.00 0.26 H new ATOM 0 HA MET A 14 -7.483 -5.167 5.817 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.896 -4.989 3.246 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.392 -6.008 4.579 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.546 -7.229 4.456 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.042 -6.214 3.117 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.207 -9.907 1.832 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.177 -9.149 3.117 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.340 -8.593 1.435 1.00 0.69 H new ATOM 221 N GLY A 15 -5.006 -4.465 6.550 1.00 0.27 N ATOM 222 CA GLY A 15 -3.939 -3.800 7.246 1.00 0.27 C ATOM 223 C GLY A 15 -3.658 -4.442 8.577 1.00 0.24 C ATOM 224 O GLY A 15 -4.150 -5.535 8.858 1.00 0.31 O ATOM 0 H GLY A 15 -5.047 -5.474 6.695 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.037 -3.821 6.634 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.199 -2.752 7.395 1.00 0.27 H new ATOM 228 N HIS A 16 -2.858 -3.781 9.391 1.00 0.20 N ATOM 229 CA HIS A 16 -2.529 -4.312 10.703 1.00 0.17 C ATOM 230 C HIS A 16 -3.525 -3.850 11.757 1.00 0.19 C ATOM 231 O HIS A 16 -4.225 -2.848 11.596 1.00 0.22 O ATOM 232 CB HIS A 16 -1.116 -3.907 11.117 1.00 0.17 C ATOM 233 CG HIS A 16 -0.619 -4.608 12.349 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.095 -4.086 13.478 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.678 -5.975 12.476 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 0.176 -5.130 14.316 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.190 -6.246 13.677 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.426 -2.883 9.172 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.581 -5.398 10.632 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.433 -4.113 10.293 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.092 -2.831 11.289 1.00 0.17 H new ATOM 0 HD1 HIS A 16 0.068 -3.097 13.669 1.00 0.16 H new ATOM 0 HD2 HIS A 16 -1.046 -6.682 11.747 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.604 -5.066 15.306 1.00 0.19 H new ATOM 245 N VAL A 17 -3.574 -4.608 12.834 1.00 0.20 N ATOM 246 CA VAL A 17 -4.371 -4.283 13.997 1.00 0.25 C ATOM 247 C VAL A 17 -3.740 -3.118 14.741 1.00 0.26 C ATOM 248 O VAL A 17 -2.526 -2.948 14.693 1.00 0.25 O ATOM 249 CB VAL A 17 -4.458 -5.517 14.901 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.067 -5.972 15.317 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.297 -5.276 16.129 1.00 0.36 C ATOM 0 H VAL A 17 -3.053 -5.480 12.926 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.376 -3.992 13.692 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.944 -6.298 14.316 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.148 -6.849 15.959 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.486 -6.224 14.430 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.569 -5.169 15.861 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.325 -6.182 16.734 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.863 -4.464 16.712 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.310 -5.008 15.830 1.00 0.36 H new ATOM 261 N ASP A 18 -4.566 -2.293 15.385 1.00 0.31 N ATOM 262 CA ASP A 18 -4.094 -1.099 16.099 1.00 0.36 C ATOM 263 C ASP A 18 -3.697 -0.007 15.110 1.00 0.34 C ATOM 264 O ASP A 18 -3.628 1.172 15.450 1.00 0.41 O ATOM 265 CB ASP A 18 -2.933 -1.449 17.046 1.00 0.42 C ATOM 266 CG ASP A 18 -2.314 -0.235 17.710 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.920 0.302 18.664 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.216 0.190 17.286 1.00 0.59 O ATOM 0 H ASP A 18 -5.576 -2.429 15.428 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.911 -0.716 16.710 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.294 -2.131 17.816 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.163 -1.980 16.485 1.00 0.42 H new ATOM 273 N HIS A 19 -3.454 -0.409 13.872 1.00 0.29 N ATOM 274 CA HIS A 19 -3.317 0.533 12.779 1.00 0.32 C ATOM 275 C HIS A 19 -4.709 0.855 12.260 1.00 0.43 C ATOM 276 O HIS A 19 -4.886 1.627 11.328 1.00 0.63 O ATOM 277 CB HIS A 19 -2.441 -0.034 11.653 1.00 0.29 C ATOM 278 CG HIS A 19 -1.083 -0.476 12.093 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.121 -0.826 11.180 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.578 -0.613 13.342 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.938 -1.168 11.887 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.710 -1.054 13.200 1.00 0.24 N ATOM 0 H HIS A 19 -3.348 -1.387 13.601 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.825 1.437 13.138 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.956 -0.880 11.199 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.330 0.724 10.878 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.092 -0.413 14.271 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.873 -1.499 11.459 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.369 -1.257 13.951 1.00 0.24 H new ATOM 290 N GLY A 20 -5.702 0.225 12.878 1.00 0.42 N ATOM 291 CA GLY A 20 -7.078 0.559 12.609 1.00 0.54 C ATOM 292 C GLY A 20 -7.674 -0.200 11.455 1.00 0.57 C ATOM 293 O GLY A 20 -8.297 0.396 10.578 1.00 0.79 O ATOM 0 H GLY A 20 -5.571 -0.517 13.566 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.670 0.366 13.503 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.149 1.627 12.404 1.00 0.54 H new ATOM 297 N LYS A 21 -7.514 -1.514 11.451 1.00 0.61 N ATOM 298 CA LYS A 21 -8.023 -2.313 10.345 1.00 0.95 C ATOM 299 C LYS A 21 -9.557 -2.234 10.251 1.00 0.89 C ATOM 300 O LYS A 21 -10.116 -2.216 9.156 1.00 1.05 O ATOM 301 CB LYS A 21 -7.560 -3.755 10.487 1.00 1.36 C ATOM 302 CG LYS A 21 -8.258 -4.514 11.597 1.00 1.79 C ATOM 303 CD LYS A 21 -7.994 -6.003 11.506 1.00 2.30 C ATOM 304 CE LYS A 21 -8.919 -6.793 12.419 1.00 2.66 C ATOM 305 NZ LYS A 21 -8.648 -8.253 12.348 1.00 3.31 N ATOM 0 H LYS A 21 -7.045 -2.043 12.186 1.00 0.61 H new ATOM 0 HA LYS A 21 -7.621 -1.905 9.417 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.726 -4.275 9.544 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -6.486 -3.766 10.672 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -7.917 -4.142 12.563 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -9.331 -4.330 11.545 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -8.128 -6.335 10.476 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -6.957 -6.206 11.774 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.796 -6.450 13.446 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -9.955 -6.601 12.141 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -9.298 -8.758 12.984 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -8.790 -8.585 11.373 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -7.667 -8.438 12.638 1.00 3.31 H new ATOM 319 N THR A 22 -10.226 -2.181 11.399 1.00 0.84 N ATOM 320 CA THR A 22 -11.681 -2.067 11.432 1.00 0.87 C ATOM 321 C THR A 22 -12.097 -0.629 11.736 1.00 0.79 C ATOM 322 O THR A 22 -13.020 -0.092 11.119 1.00 0.79 O ATOM 323 CB THR A 22 -12.299 -3.010 12.486 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.732 -4.321 12.367 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.808 -3.097 12.324 1.00 1.18 C ATOM 0 H THR A 22 -9.785 -2.215 12.318 1.00 0.84 H new ATOM 0 HA THR A 22 -12.052 -2.356 10.449 1.00 0.87 H new ATOM 0 HB THR A 22 -12.077 -2.602 13.472 1.00 1.02 H new ATOM 0 HG1 THR A 22 -12.129 -4.912 13.041 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.217 -3.768 13.079 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.245 -2.106 12.445 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.046 -3.480 11.332 1.00 1.18 H new ATOM 333 N THR A 23 -11.402 -0.003 12.688 1.00 0.75 N ATOM 334 CA THR A 23 -11.665 1.383 13.060 1.00 0.75 C ATOM 335 C THR A 23 -11.623 2.341 11.872 1.00 0.67 C ATOM 336 O THR A 23 -12.169 3.425 11.955 1.00 0.66 O ATOM 337 CB THR A 23 -10.658 1.872 14.105 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.544 0.973 14.160 1.00 1.25 O ATOM 339 CG2 THR A 23 -11.305 1.996 15.479 1.00 1.17 C ATOM 0 H THR A 23 -10.648 -0.441 13.217 1.00 0.75 H new ATOM 0 HA THR A 23 -12.675 1.387 13.469 1.00 0.75 H new ATOM 0 HB THR A 23 -10.310 2.862 13.810 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.916 1.272 14.851 1.00 1.25 H new ATOM 0 HG21 THR A 23 -10.565 2.345 16.199 1.00 1.17 H new ATOM 0 HG22 THR A 23 -12.129 2.708 15.430 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.685 1.023 15.791 1.00 1.17 H new ATOM 347 N LEU A 24 -10.998 1.950 10.774 1.00 0.65 N ATOM 348 CA LEU A 24 -10.899 2.825 9.611 1.00 0.63 C ATOM 349 C LEU A 24 -12.245 2.873 8.903 1.00 0.64 C ATOM 350 O LEU A 24 -12.752 3.939 8.561 1.00 0.65 O ATOM 351 CB LEU A 24 -9.835 2.303 8.668 1.00 0.67 C ATOM 352 CG LEU A 24 -9.114 3.345 7.795 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.058 3.961 6.772 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.488 4.427 8.666 1.00 1.30 C ATOM 0 H LEU A 24 -10.553 1.039 10.660 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.624 3.830 9.931 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.085 1.777 9.259 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.296 1.567 8.009 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.321 2.833 7.249 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.517 4.693 6.172 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.451 3.179 6.123 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.882 4.453 7.288 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.982 5.156 8.033 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -9.267 4.926 9.243 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.767 3.974 9.346 1.00 1.30 H new ATOM 366 N LEU A 25 -12.827 1.697 8.741 1.00 0.68 N ATOM 367 CA LEU A 25 -14.137 1.529 8.143 1.00 0.75 C ATOM 368 C LEU A 25 -15.197 2.159 9.062 1.00 0.74 C ATOM 369 O LEU A 25 -16.313 2.451 8.639 1.00 0.82 O ATOM 370 CB LEU A 25 -14.313 0.007 7.915 1.00 0.85 C ATOM 371 CG LEU A 25 -15.713 -0.554 7.661 1.00 0.92 C ATOM 372 CD1 LEU A 25 -16.508 -0.572 8.949 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.437 0.229 6.572 1.00 1.69 C ATOM 0 H LEU A 25 -12.394 0.819 9.027 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.249 2.036 7.185 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.689 -0.271 7.066 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -13.909 -0.504 8.789 1.00 0.85 H new ATOM 0 HG LEU A 25 -15.613 -1.579 7.304 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -17.503 -0.973 8.757 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.999 -1.199 9.682 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.595 0.443 9.337 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -17.429 -0.196 6.417 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -16.532 1.271 6.876 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -15.868 0.172 5.644 1.00 1.69 H new ATOM 385 N ASP A 26 -14.817 2.415 10.309 1.00 0.71 N ATOM 386 CA ASP A 26 -15.732 3.014 11.271 1.00 0.75 C ATOM 387 C ASP A 26 -15.496 4.508 11.357 1.00 0.70 C ATOM 388 O ASP A 26 -16.428 5.307 11.408 1.00 0.76 O ATOM 389 CB ASP A 26 -15.540 2.406 12.642 1.00 0.81 C ATOM 390 CG ASP A 26 -16.640 2.804 13.606 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.728 2.193 13.560 1.00 1.13 O ATOM 392 OD2 ASP A 26 -16.424 3.729 14.417 1.00 1.23 O ATOM 0 H ASP A 26 -13.886 2.218 10.675 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.750 2.821 10.932 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.512 1.320 12.555 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.576 2.719 13.044 1.00 0.81 H new ATOM 397 N ALA A 27 -14.228 4.869 11.354 1.00 0.63 N ATOM 398 CA ALA A 27 -13.815 6.264 11.438 1.00 0.61 C ATOM 399 C ALA A 27 -14.243 7.011 10.190 1.00 0.58 C ATOM 400 O ALA A 27 -14.502 8.216 10.218 1.00 0.62 O ATOM 401 CB ALA A 27 -12.310 6.335 11.606 1.00 0.61 C ATOM 0 H ALA A 27 -13.453 4.208 11.294 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.293 6.731 12.299 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.000 7.378 11.669 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.021 5.815 12.519 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.826 5.863 10.751 1.00 0.61 H new ATOM 407 N ILE A 28 -14.316 6.268 9.101 1.00 0.56 N ATOM 408 CA ILE A 28 -14.731 6.796 7.819 1.00 0.57 C ATOM 409 C ILE A 28 -16.234 7.109 7.838 1.00 0.64 C ATOM 410 O ILE A 28 -16.716 7.961 7.092 1.00 0.71 O ATOM 411 CB ILE A 28 -14.360 5.778 6.713 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.048 6.468 5.393 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.451 4.737 6.515 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.259 5.577 4.464 1.00 0.85 C ATOM 0 H ILE A 28 -14.087 5.274 9.084 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.213 7.732 7.609 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.459 5.267 7.052 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.979 6.763 4.909 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.485 7.381 5.585 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.152 4.042 5.731 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.605 4.190 7.445 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.378 5.232 6.227 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.058 6.108 3.534 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.316 5.303 4.937 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.833 4.675 4.250 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.543 -3.578 -5.013 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.329 -2.815 -4.751 1.00 0.42 C ATOM 1223 C ILE A 81 -8.975 -2.937 -3.276 1.00 0.38 C ATOM 1224 O ILE A 81 -9.830 -2.710 -2.423 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.519 -1.321 -5.110 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -10.035 -1.170 -6.546 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.212 -0.565 -4.936 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -10.355 0.261 -6.931 1.00 0.71 C ATOM 0 HA ILE A 81 -8.526 -3.216 -5.370 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.261 -0.897 -4.433 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -9.287 -1.564 -7.235 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.931 -1.779 -6.667 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.361 0.484 -5.192 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.882 -0.642 -3.900 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.454 -0.994 -5.591 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.714 0.289 -7.960 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -11.125 0.653 -6.267 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.456 0.871 -6.844 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.731 -3.289 -2.956 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.401 -3.561 -1.566 1.00 0.28 C ATOM 1242 C VAL A 82 -6.696 -2.401 -0.911 1.00 0.23 C ATOM 1243 O VAL A 82 -5.599 -2.017 -1.302 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.564 -4.843 -1.394 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.926 -4.911 -0.008 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.459 -6.041 -1.598 1.00 1.17 C ATOM 0 H VAL A 82 -6.961 -3.389 -3.618 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.358 -3.713 -1.066 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.762 -4.836 -2.132 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.343 -5.828 0.080 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.273 -4.050 0.134 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -6.707 -4.904 0.753 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.877 -6.955 -1.479 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.263 -6.024 -0.862 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.885 -6.011 -2.601 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.348 -1.850 0.088 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.731 -0.852 0.926 1.00 0.19 C ATOM 1258 C ILE A 83 -5.872 -1.528 1.961 1.00 0.19 C ATOM 1259 O ILE A 83 -6.297 -2.472 2.617 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.758 0.063 1.620 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.351 0.991 0.583 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.112 0.855 2.757 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.178 2.124 1.160 1.00 0.37 C ATOM 0 H ILE A 83 -8.310 -2.079 0.339 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.124 -0.218 0.281 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.546 -0.545 2.064 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.543 1.414 -0.014 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.976 0.409 -0.094 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.861 1.492 3.228 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.706 0.165 3.496 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.308 1.474 2.358 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.566 2.741 0.349 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.009 1.713 1.732 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.554 2.734 1.814 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.664 -1.053 2.091 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.758 -1.593 3.057 1.00 0.23 C ATOM 1277 C LEU A 84 -3.408 -0.488 4.047 1.00 0.24 C ATOM 1278 O LEU A 84 -2.695 0.460 3.721 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.529 -2.180 2.347 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.416 -2.733 3.243 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.531 -1.596 3.698 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -1.981 -3.490 4.440 1.00 1.01 C ATOM 0 H LEU A 84 -4.286 -0.287 1.534 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.210 -2.414 3.614 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.866 -2.981 1.689 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.101 -1.405 1.711 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.826 -3.445 2.665 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.262 -1.985 4.336 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.091 -1.107 2.829 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.125 -0.874 4.258 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.162 -3.867 5.052 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.600 -2.819 5.036 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.586 -4.326 4.089 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.969 -0.595 5.233 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.765 0.390 6.268 1.00 0.27 C ATOM 1296 C VAL A 85 -2.560 0.033 7.126 1.00 0.25 C ATOM 1297 O VAL A 85 -2.563 -0.973 7.841 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.014 0.507 7.157 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.813 1.577 8.206 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.249 0.803 6.320 1.00 0.40 C ATOM 0 H VAL A 85 -4.578 -1.367 5.504 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.581 1.349 5.784 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.168 -0.448 7.659 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.705 1.649 8.828 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.956 1.320 8.829 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.633 2.535 7.719 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.120 0.881 6.971 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.110 1.743 5.786 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.404 -0.003 5.602 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.519 0.843 7.020 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.338 0.683 7.839 1.00 0.20 C ATOM 1312 C VAL A 86 -0.071 1.935 8.653 1.00 0.17 C ATOM 1313 O VAL A 86 -0.062 3.043 8.125 1.00 0.22 O ATOM 1314 CB VAL A 86 0.910 0.361 6.997 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.976 -1.124 6.693 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.920 1.172 5.709 1.00 0.64 C ATOM 0 H VAL A 86 -1.473 1.625 6.366 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.534 -0.157 8.505 1.00 0.20 H new ATOM 0 HB VAL A 86 1.792 0.635 7.576 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.864 -1.334 6.097 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.024 -1.685 7.626 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.087 -1.421 6.137 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.811 0.927 5.132 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.032 0.935 5.123 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.924 2.235 5.949 1.00 0.64 H new ATOM 1326 N ALA A 87 0.126 1.752 9.940 1.00 0.17 N ATOM 1327 CA ALA A 87 0.477 2.851 10.813 1.00 0.18 C ATOM 1328 C ALA A 87 1.895 3.309 10.524 1.00 0.16 C ATOM 1329 O ALA A 87 2.808 2.494 10.467 1.00 0.24 O ATOM 1330 CB ALA A 87 0.354 2.425 12.265 1.00 0.28 C ATOM 0 H ALA A 87 0.049 0.848 10.407 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.208 3.679 10.631 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.621 3.260 12.913 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.673 2.121 12.469 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.026 1.588 12.457 1.00 0.28 H new ATOM 1336 N ALA A 88 2.090 4.606 10.350 1.00 0.12 N ATOM 1337 CA ALA A 88 3.418 5.124 10.054 1.00 0.14 C ATOM 1338 C ALA A 88 4.307 5.038 11.273 1.00 0.16 C ATOM 1339 O ALA A 88 5.526 5.199 11.186 1.00 0.22 O ATOM 1340 CB ALA A 88 3.338 6.561 9.578 1.00 0.17 C ATOM 0 H ALA A 88 1.357 5.313 10.407 1.00 0.12 H new ATOM 0 HA ALA A 88 3.848 4.513 9.260 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.341 6.929 9.362 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.731 6.612 8.674 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.885 7.177 10.355 1.00 0.17 H new ATOM 1346 N ASP A 89 3.692 4.797 12.412 1.00 0.16 N ATOM 1347 CA ASP A 89 4.432 4.729 13.663 1.00 0.21 C ATOM 1348 C ASP A 89 4.817 3.289 14.010 1.00 0.22 C ATOM 1349 O ASP A 89 5.506 3.044 15.003 1.00 0.37 O ATOM 1350 CB ASP A 89 3.617 5.353 14.802 1.00 0.30 C ATOM 1351 CG ASP A 89 2.735 4.353 15.537 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.033 3.562 14.874 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.722 4.382 16.787 1.00 0.58 O ATOM 0 H ASP A 89 2.687 4.645 12.502 1.00 0.16 H new ATOM 0 HA ASP A 89 5.353 5.298 13.535 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.299 5.816 15.515 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.991 6.148 14.397 1.00 0.30 H new ATOM 1358 N ASP A 90 4.392 2.340 13.178 1.00 0.19 N ATOM 1359 CA ASP A 90 4.627 0.925 13.459 1.00 0.23 C ATOM 1360 C ASP A 90 5.044 0.178 12.189 1.00 0.25 C ATOM 1361 O ASP A 90 6.038 -0.546 12.186 1.00 0.42 O ATOM 1362 CB ASP A 90 3.369 0.308 14.070 1.00 0.26 C ATOM 1363 CG ASP A 90 3.636 -0.996 14.796 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.761 -1.167 15.304 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.741 -1.870 14.815 1.00 0.46 O ATOM 0 H ASP A 90 3.887 2.523 12.311 1.00 0.19 H new ATOM 0 HA ASP A 90 5.445 0.837 14.174 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.924 1.019 14.766 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.637 0.134 13.281 1.00 0.26 H new ATOM 1370 N GLY A 91 4.286 0.372 11.117 1.00 0.20 N ATOM 1371 CA GLY A 91 4.675 -0.141 9.812 1.00 0.21 C ATOM 1372 C GLY A 91 4.019 -1.462 9.456 1.00 0.22 C ATOM 1373 O GLY A 91 2.875 -1.705 9.820 1.00 0.37 O ATOM 0 H GLY A 91 3.401 0.879 11.126 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.422 0.597 9.051 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.758 -0.265 9.788 1.00 0.21 H new ATOM 1377 N VAL A 92 4.730 -2.304 8.719 1.00 0.26 N ATOM 1378 CA VAL A 92 4.195 -3.600 8.323 1.00 0.26 C ATOM 1379 C VAL A 92 4.492 -4.635 9.405 1.00 0.24 C ATOM 1380 O VAL A 92 5.592 -4.692 9.963 1.00 0.28 O ATOM 1381 CB VAL A 92 4.755 -4.065 6.957 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.213 -4.475 7.061 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.911 -5.196 6.386 1.00 1.03 C ATOM 0 H VAL A 92 5.675 -2.115 8.384 1.00 0.26 H new ATOM 0 HA VAL A 92 3.116 -3.496 8.208 1.00 0.26 H new ATOM 0 HB VAL A 92 4.702 -3.218 6.273 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.572 -4.795 6.083 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.806 -3.627 7.405 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.310 -5.297 7.770 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.322 -5.508 5.426 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.919 -6.040 7.076 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.886 -4.851 6.247 1.00 1.03 H new ATOM 1393 N MET A 93 3.487 -5.431 9.700 1.00 0.22 N ATOM 1394 CA MET A 93 3.508 -6.352 10.822 1.00 0.22 C ATOM 1395 C MET A 93 2.894 -7.686 10.374 1.00 0.22 C ATOM 1396 O MET A 93 2.447 -7.787 9.230 1.00 0.23 O ATOM 1397 CB MET A 93 2.710 -5.729 11.970 1.00 0.21 C ATOM 1398 CG MET A 93 3.220 -4.357 12.390 1.00 0.23 C ATOM 1399 SD MET A 93 4.687 -4.448 13.425 1.00 0.28 S ATOM 1400 CE MET A 93 3.932 -4.992 14.950 1.00 0.27 C ATOM 0 H MET A 93 2.621 -5.459 9.162 1.00 0.22 H new ATOM 0 HA MET A 93 4.526 -6.540 11.164 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.665 -5.644 11.671 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.742 -6.399 12.830 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.445 -3.769 11.500 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.432 -3.831 12.929 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.135 -4.265 15.736 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.855 -5.085 14.810 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.345 -5.959 15.236 1.00 0.27 H new ATOM 1410 N PRO A 94 2.873 -8.726 11.240 1.00 0.25 N ATOM 1411 CA PRO A 94 2.339 -10.060 10.902 1.00 0.30 C ATOM 1412 C PRO A 94 1.079 -10.045 10.027 1.00 0.28 C ATOM 1413 O PRO A 94 1.132 -10.421 8.853 1.00 0.31 O ATOM 1414 CB PRO A 94 2.030 -10.648 12.274 1.00 0.37 C ATOM 1415 CG PRO A 94 3.075 -10.075 13.166 1.00 0.58 C ATOM 1416 CD PRO A 94 3.407 -8.709 12.620 1.00 0.30 C ATOM 0 HA PRO A 94 3.051 -10.627 10.302 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.029 -10.374 12.607 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.074 -11.737 12.259 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.713 -10.005 14.192 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.960 -10.711 13.184 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.946 -7.920 13.215 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.482 -8.528 12.628 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.051 -9.597 10.577 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.313 -9.663 9.848 1.00 0.32 C ATOM 1426 C GLN A 95 -1.359 -8.640 8.718 1.00 0.31 C ATOM 1427 O GLN A 95 -2.174 -8.744 7.801 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.514 -9.476 10.777 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.674 -8.071 11.328 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.065 -7.825 11.894 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.970 -7.412 11.173 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.251 -8.052 13.189 1.00 0.34 N ATOM 0 H GLN A 95 -0.116 -9.191 11.510 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.372 -10.660 9.413 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.421 -9.745 10.235 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.423 -10.171 11.612 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -1.932 -7.903 12.109 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.473 -7.348 10.537 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.480 -8.395 13.762 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.165 -7.883 13.610 1.00 0.34 H new ATOM 1441 N THR A 96 -0.471 -7.662 8.784 1.00 0.26 N ATOM 1442 CA THR A 96 -0.353 -6.664 7.735 1.00 0.25 C ATOM 1443 C THR A 96 0.170 -7.325 6.480 1.00 0.25 C ATOM 1444 O THR A 96 -0.331 -7.098 5.378 1.00 0.31 O ATOM 1445 CB THR A 96 0.600 -5.544 8.138 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.735 -5.530 9.557 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.081 -4.200 7.665 1.00 0.28 C ATOM 0 H THR A 96 0.182 -7.538 9.558 1.00 0.26 H new ATOM 0 HA THR A 96 -1.339 -6.232 7.562 1.00 0.25 H new ATOM 0 HB THR A 96 1.569 -5.723 7.672 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.159 -4.692 9.837 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.777 -3.416 7.964 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.013 -4.208 6.579 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.895 -4.009 8.112 1.00 0.28 H new ATOM 1455 N VAL A 97 1.175 -8.168 6.663 1.00 0.25 N ATOM 1456 CA VAL A 97 1.737 -8.910 5.567 1.00 0.31 C ATOM 1457 C VAL A 97 0.735 -9.896 5.006 1.00 0.23 C ATOM 1458 O VAL A 97 0.648 -10.071 3.803 1.00 0.24 O ATOM 1459 CB VAL A 97 2.967 -9.711 5.963 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.587 -10.268 4.714 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.950 -8.870 6.734 1.00 1.38 C ATOM 0 H VAL A 97 1.613 -8.349 7.566 1.00 0.25 H new ATOM 0 HA VAL A 97 2.014 -8.159 4.827 1.00 0.31 H new ATOM 0 HB VAL A 97 2.674 -10.526 6.625 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.473 -10.847 4.975 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.868 -10.912 4.207 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.871 -9.450 4.052 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.816 -9.475 7.000 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.270 -8.029 6.119 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.476 -8.496 7.641 1.00 1.38 H new ATOM 1471 N GLU A 98 0.004 -10.554 5.890 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.990 -11.533 5.472 1.00 0.29 C ATOM 1473 C GLU A 98 -2.017 -10.898 4.547 1.00 0.31 C ATOM 1474 O GLU A 98 -2.604 -11.571 3.701 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.668 -12.144 6.693 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.723 -12.982 7.531 1.00 0.92 C ATOM 1477 CD GLU A 98 -0.293 -14.251 6.822 1.00 1.64 C ATOM 1478 OE1 GLU A 98 0.548 -14.172 5.902 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -0.795 -15.337 7.187 1.00 1.97 O ATOM 0 H GLU A 98 0.078 -10.430 6.900 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.486 -12.326 4.920 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.083 -11.347 7.309 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.504 -12.763 6.367 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.159 -12.391 7.780 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -1.209 -13.241 8.472 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.211 -9.595 4.695 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.071 -8.850 3.794 1.00 0.35 C ATOM 1488 C ALA A 99 -2.388 -8.661 2.442 1.00 0.34 C ATOM 1489 O ALA A 99 -3.036 -8.709 1.400 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.449 -7.509 4.404 1.00 0.39 C ATOM 0 H ALA A 99 -1.783 -9.034 5.432 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.987 -9.420 3.636 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.094 -6.964 3.714 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -3.978 -7.673 5.343 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.546 -6.928 4.592 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.067 -8.493 2.463 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.299 -8.331 1.243 1.00 0.29 C ATOM 1498 C ILE A 100 -0.184 -9.671 0.542 1.00 0.29 C ATOM 1499 O ILE A 100 -0.391 -9.784 -0.664 1.00 0.34 O ATOM 1500 CB ILE A 100 1.115 -7.824 1.559 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.059 -6.405 2.132 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.977 -7.886 0.309 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.373 -5.931 2.713 1.00 0.41 C ATOM 0 H ILE A 100 -0.510 -8.466 3.317 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.808 -7.607 0.607 1.00 0.29 H new ATOM 0 HB ILE A 100 1.566 -8.466 2.315 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.751 -5.717 1.345 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.294 -6.366 2.907 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.979 -7.525 0.540 1.00 0.36 H new ATOM 0 HG22 ILE A 100 2.035 -8.916 -0.043 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.536 -7.261 -0.468 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.256 -4.918 3.099 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.674 -6.596 3.523 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.138 -5.937 1.936 1.00 0.41 H new ATOM 1515 N ASN A 101 0.153 -10.676 1.329 1.00 0.29 N ATOM 1516 CA ASN A 101 0.266 -12.045 0.864 1.00 0.34 C ATOM 1517 C ASN A 101 -1.032 -12.497 0.224 1.00 0.36 C ATOM 1518 O ASN A 101 -1.025 -13.146 -0.819 1.00 0.43 O ATOM 1519 CB ASN A 101 0.638 -12.943 2.048 1.00 0.44 C ATOM 1520 CG ASN A 101 2.118 -12.954 2.320 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.934 -12.893 1.398 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.483 -13.007 3.587 1.00 0.64 N ATOM 0 H ASN A 101 0.358 -10.562 2.322 1.00 0.29 H new ATOM 0 HA ASN A 101 1.046 -12.112 0.106 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.111 -12.601 2.939 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.301 -13.960 1.848 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.473 -12.998 3.833 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.775 -13.057 4.320 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.144 -12.112 0.835 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.455 -12.427 0.306 1.00 0.43 C ATOM 1531 C HIS A 102 -3.721 -11.617 -0.960 1.00 0.37 C ATOM 1532 O HIS A 102 -4.362 -12.098 -1.897 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.521 -12.130 1.360 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.827 -12.792 1.086 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.420 -13.671 1.962 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.645 -12.714 0.020 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.547 -14.110 1.446 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.713 -13.545 0.262 1.00 1.91 N ATOM 0 H HIS A 102 -2.159 -11.577 1.704 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.492 -13.486 0.053 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.156 -12.453 2.335 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.674 -11.052 1.417 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.491 -12.110 -0.862 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.223 -14.813 1.911 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.501 -13.700 -0.366 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.224 -10.388 -0.980 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.396 -9.513 -2.130 1.00 0.41 C ATOM 1549 C ALA A 103 -2.584 -10.009 -3.325 1.00 0.40 C ATOM 1550 O ALA A 103 -3.099 -10.085 -4.435 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.006 -8.082 -1.778 1.00 0.47 C ATOM 0 H ALA A 103 -2.697 -9.974 -0.211 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.450 -9.528 -2.408 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.141 -7.443 -2.651 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.636 -7.723 -0.964 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -1.962 -8.055 -1.467 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.317 -10.353 -3.092 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.449 -10.862 -4.150 1.00 0.49 C ATOM 1559 C LYS A 104 -0.969 -12.186 -4.651 1.00 0.54 C ATOM 1560 O LYS A 104 -0.906 -12.485 -5.840 1.00 0.66 O ATOM 1561 CB LYS A 104 0.972 -11.063 -3.637 1.00 0.61 C ATOM 1562 CG LYS A 104 1.580 -9.821 -3.040 1.00 0.70 C ATOM 1563 CD LYS A 104 1.557 -8.666 -4.031 1.00 0.84 C ATOM 1564 CE LYS A 104 2.602 -7.620 -3.690 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.977 -8.152 -3.870 1.00 1.66 N ATOM 0 H LYS A 104 -0.870 -10.288 -2.178 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.441 -10.130 -4.957 1.00 0.49 H new ATOM 0 HB2 LYS A 104 0.970 -11.853 -2.886 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.601 -11.406 -4.459 1.00 0.61 H new ATOM 0 HG2 LYS A 104 1.033 -9.542 -2.139 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.608 -10.025 -2.739 1.00 0.70 H new ATOM 0 HD2 LYS A 104 1.735 -9.045 -5.037 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.568 -8.207 -4.033 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.463 -6.744 -4.323 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.469 -7.292 -2.659 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.458 -8.190 -2.949 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.929 -9.109 -4.275 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 4.508 -7.530 -4.512 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.453 -12.974 -3.705 1.00 0.51 N ATOM 1580 CA ALA A 105 -2.082 -14.262 -4.013 1.00 0.61 C ATOM 1581 C ALA A 105 -3.110 -14.122 -5.138 1.00 0.62 C ATOM 1582 O ALA A 105 -3.161 -14.947 -6.053 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.740 -14.848 -2.773 1.00 0.65 C ATOM 0 H ALA A 105 -1.425 -12.749 -2.711 1.00 0.51 H new ATOM 0 HA ALA A 105 -1.298 -14.941 -4.350 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -3.201 -15.804 -3.023 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.988 -14.999 -1.999 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.504 -14.161 -2.407 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.916 -13.068 -5.072 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.918 -12.813 -6.100 1.00 0.64 C ATOM 1591 C ALA A 106 -4.331 -11.994 -7.245 1.00 0.64 C ATOM 1592 O ALA A 106 -4.658 -12.226 -8.410 1.00 0.74 O ATOM 1593 CB ALA A 106 -6.129 -12.106 -5.507 1.00 0.68 C ATOM 0 H ALA A 106 -3.895 -12.379 -4.320 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.240 -13.774 -6.500 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.865 -11.925 -6.291 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.571 -12.731 -4.731 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.819 -11.155 -5.074 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.471 -11.039 -6.876 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.731 -10.177 -7.807 1.00 0.65 C ATOM 1601 C ASN A 107 -3.571 -8.957 -8.128 1.00 0.60 C ATOM 1602 O ASN A 107 -4.126 -8.814 -9.218 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.291 -10.905 -9.075 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.154 -10.207 -9.784 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.992 -8.988 -9.694 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.365 -10.973 -10.508 1.00 1.41 N ATOM 0 H ASN A 107 -3.264 -10.838 -5.898 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.808 -9.867 -7.317 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.986 -11.920 -8.819 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.140 -10.989 -9.754 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.415 -10.562 -11.021 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.534 -11.978 -10.556 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.658 -8.084 -7.140 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.542 -6.951 -7.173 1.00 0.42 C ATOM 1615 C VAL A 108 -3.776 -5.655 -6.908 1.00 0.37 C ATOM 1616 O VAL A 108 -2.815 -5.647 -6.136 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.616 -7.123 -6.085 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -4.975 -7.435 -4.742 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.457 -5.882 -5.976 1.00 1.35 C ATOM 0 H VAL A 108 -3.106 -8.150 -6.285 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.999 -6.894 -8.161 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.255 -7.959 -6.369 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -5.752 -7.553 -3.987 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.401 -8.358 -4.819 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.312 -6.618 -4.457 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.212 -6.021 -5.202 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.823 -5.034 -5.717 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.947 -5.690 -6.930 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.172 -4.551 -7.561 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.650 -3.233 -7.224 1.00 0.33 C ATOM 1631 C PRO A 109 -4.094 -2.800 -5.829 1.00 0.28 C ATOM 1632 O PRO A 109 -5.247 -3.008 -5.424 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.237 -2.303 -8.290 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.771 -3.200 -9.359 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.119 -4.497 -8.684 1.00 0.40 C ATOM 0 HA PRO A 109 -2.560 -3.219 -7.210 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.027 -1.678 -7.873 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.475 -1.632 -8.686 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.648 -2.761 -9.833 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.029 -3.356 -10.143 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.153 -4.508 -8.340 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.997 -5.347 -9.356 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.181 -2.189 -5.095 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.429 -1.854 -3.710 1.00 0.21 C ATOM 1645 C ILE A 110 -3.696 -0.355 -3.556 1.00 0.19 C ATOM 1646 O ILE A 110 -3.317 0.458 -4.401 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.210 -2.268 -2.838 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.968 -3.786 -2.906 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.362 -1.822 -1.391 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.026 -4.612 -2.202 1.00 0.60 C ATOM 0 H ILE A 110 -2.260 -1.916 -5.439 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.312 -2.399 -3.375 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.341 -1.757 -3.252 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.921 -4.089 -3.952 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.996 -4.008 -2.466 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.487 -2.133 -0.820 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.453 -0.736 -1.352 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.255 -2.276 -0.962 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.783 -5.670 -2.296 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.058 -4.339 -1.147 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.998 -4.421 -2.656 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.370 -0.028 -2.476 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.572 1.334 -2.025 1.00 0.18 C ATOM 1664 C ILE A 111 -4.028 1.428 -0.614 1.00 0.16 C ATOM 1665 O ILE A 111 -4.753 1.238 0.362 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.063 1.757 -2.032 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.572 1.897 -3.460 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.260 3.080 -1.291 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -6.040 3.123 -4.154 1.00 0.37 C ATOM 0 H ILE A 111 -4.806 -0.722 -1.868 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.056 2.007 -2.710 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.630 0.979 -1.522 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.289 1.012 -4.030 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.661 1.935 -3.450 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.315 3.354 -1.311 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.933 2.970 -0.257 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.673 3.860 -1.776 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.438 3.169 -5.168 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.345 4.013 -3.604 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.952 3.076 -4.193 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.742 1.635 -0.499 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.158 1.778 0.799 1.00 0.18 C ATOM 1683 C VAL A 112 -2.571 3.087 1.391 1.00 0.20 C ATOM 1684 O VAL A 112 -2.691 4.098 0.708 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.637 1.708 0.783 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.087 1.866 2.170 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.177 0.400 0.205 1.00 0.19 C ATOM 0 H VAL A 112 -2.090 1.707 -1.280 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.518 0.941 1.397 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.268 2.523 0.160 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.001 1.813 2.138 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.392 2.831 2.574 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.470 1.069 2.806 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.912 0.367 0.201 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.563 -0.421 0.810 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.547 0.303 -0.816 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.778 3.042 2.660 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.198 4.195 3.391 1.00 0.24 C ATOM 1699 C ALA A 113 -2.615 4.162 4.775 1.00 0.25 C ATOM 1700 O ALA A 113 -3.071 3.437 5.660 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.706 4.288 3.398 1.00 0.29 C ATOM 0 H ALA A 113 -2.661 2.202 3.227 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.827 5.097 2.904 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.013 5.171 3.958 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.071 4.363 2.374 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.123 3.397 3.867 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.563 4.926 4.922 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.847 5.031 6.160 1.00 0.27 C ATOM 1709 C ILE A 114 -1.665 5.817 7.164 1.00 0.30 C ATOM 1710 O ILE A 114 -2.307 6.783 6.800 1.00 0.50 O ATOM 1711 CB ILE A 114 0.508 5.713 5.895 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.313 4.839 4.938 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.266 5.945 7.186 1.00 0.44 C ATOM 1714 CD1 ILE A 114 2.633 5.436 4.497 1.00 0.59 C ATOM 0 H ILE A 114 -1.177 5.500 4.172 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.669 4.039 6.576 1.00 0.27 H new ATOM 0 HB ILE A 114 0.340 6.691 5.445 1.00 0.33 H new ATOM 0 HG12 ILE A 114 1.506 3.880 5.418 1.00 0.38 H new ATOM 0 HG13 ILE A 114 0.707 4.637 4.054 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.218 6.428 6.967 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.678 6.585 7.843 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.448 4.989 7.678 1.00 0.44 H new ATOM 0 HD11 ILE A 114 3.136 4.746 3.819 1.00 0.59 H new ATOM 0 HD12 ILE A 114 2.452 6.381 3.985 1.00 0.59 H new ATOM 0 HD13 ILE A 114 3.263 5.611 5.369 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.657 5.395 8.413 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.439 6.052 9.447 1.00 0.22 C ATOM 1728 C ASN A 115 -1.479 6.523 10.490 1.00 0.20 C ATOM 1729 O ASN A 115 -0.273 6.278 10.377 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.506 5.092 10.021 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.089 4.332 11.271 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.938 3.999 11.459 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.040 4.049 12.140 1.00 0.56 N ATOM 0 H ASN A 115 -1.115 4.595 8.740 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.990 6.903 9.045 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.404 5.667 10.247 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.775 4.371 9.249 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.815 3.539 12.994 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -5.000 4.341 11.958 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.993 7.214 11.474 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.179 7.681 12.556 1.00 0.20 C ATOM 1742 C LYS A 116 -0.168 8.722 12.105 1.00 0.21 C ATOM 1743 O LYS A 116 0.895 8.873 12.704 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.490 6.497 13.221 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.408 5.718 14.138 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.631 4.707 14.949 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.520 3.631 15.535 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.716 2.587 16.221 1.00 0.59 N ATOM 0 H LYS A 116 -2.979 7.465 11.545 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.826 8.174 13.281 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.103 5.830 12.451 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.366 6.856 13.792 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.928 6.404 14.807 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.170 5.209 13.549 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.127 4.244 14.317 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.105 5.219 15.755 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.220 4.078 16.241 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.114 3.175 14.743 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.342 1.820 16.539 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.008 2.205 15.562 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.234 3.004 17.043 1.00 0.59 H new ATOM 1762 N MET A 117 -0.511 9.447 11.052 1.00 0.21 N ATOM 1763 CA MET A 117 0.282 10.586 10.628 1.00 0.28 C ATOM 1764 C MET A 117 -0.073 11.788 11.491 1.00 0.29 C ATOM 1765 O MET A 117 0.473 12.878 11.336 1.00 0.37 O ATOM 1766 CB MET A 117 0.050 10.870 9.147 1.00 0.38 C ATOM 1767 CG MET A 117 0.512 9.736 8.245 1.00 0.48 C ATOM 1768 SD MET A 117 2.297 9.635 8.099 1.00 0.77 S ATOM 1769 CE MET A 117 2.594 11.082 7.100 1.00 0.92 C ATOM 0 H MET A 117 -1.333 9.266 10.476 1.00 0.21 H new ATOM 0 HA MET A 117 1.343 10.368 10.755 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.012 11.051 8.979 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.576 11.784 8.871 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.131 8.792 8.635 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.079 9.869 7.253 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.988 10.780 6.130 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.659 11.625 6.959 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.316 11.727 7.600 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.022 11.566 12.394 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.313 12.511 13.471 1.00 0.34 C ATOM 1781 C ASP A 118 -0.174 12.480 14.462 1.00 0.33 C ATOM 1782 O ASP A 118 0.160 13.477 15.103 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.605 12.132 14.202 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.537 10.748 14.830 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.528 9.760 14.067 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.505 10.643 16.074 1.00 0.76 O ATOM 0 H ASP A 118 -1.609 10.732 12.402 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.433 13.505 13.040 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.809 12.870 14.978 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.439 12.168 13.501 1.00 0.39 H new ATOM 1791 N LYS A 119 0.414 11.308 14.569 1.00 0.23 N ATOM 1792 CA LYS A 119 1.510 11.077 15.490 1.00 0.26 C ATOM 1793 C LYS A 119 2.808 11.650 14.941 1.00 0.28 C ATOM 1794 O LYS A 119 3.111 11.504 13.761 1.00 0.26 O ATOM 1795 CB LYS A 119 1.686 9.579 15.749 1.00 0.29 C ATOM 1796 CG LYS A 119 0.563 8.953 16.558 1.00 0.36 C ATOM 1797 CD LYS A 119 0.974 7.590 17.099 1.00 0.72 C ATOM 1798 CE LYS A 119 2.221 7.702 17.965 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.683 6.388 18.481 1.00 1.17 N ATOM 0 H LYS A 119 0.148 10.489 14.022 1.00 0.23 H new ATOM 0 HA LYS A 119 1.269 11.579 16.427 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.762 9.062 14.792 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.629 9.420 16.273 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.295 9.611 17.385 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.325 8.848 15.934 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.158 7.165 17.683 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.162 6.907 16.270 1.00 0.72 H new ATOM 0 HE2 LYS A 119 3.021 8.161 17.384 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.016 8.366 18.805 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 3.719 6.396 18.572 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.255 6.211 19.412 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.399 5.636 17.821 1.00 1.17 H new ATOM 1813 N PRO A 120 3.589 12.319 15.799 1.00 0.38 N ATOM 1814 CA PRO A 120 4.930 12.798 15.446 1.00 0.45 C ATOM 1815 C PRO A 120 5.880 11.641 15.138 1.00 0.40 C ATOM 1816 O PRO A 120 6.922 11.827 14.517 1.00 0.45 O ATOM 1817 CB PRO A 120 5.396 13.551 16.697 1.00 0.57 C ATOM 1818 CG PRO A 120 4.527 13.053 17.802 1.00 0.58 C ATOM 1819 CD PRO A 120 3.214 12.695 17.172 1.00 0.48 C ATOM 0 HA PRO A 120 4.918 13.418 14.550 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.448 13.355 16.905 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.292 14.628 16.569 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.974 12.186 18.289 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.396 13.817 18.569 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.727 11.872 17.696 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.520 13.535 17.184 1.00 0.48 H new ATOM 1827 N GLU A 121 5.491 10.443 15.572 1.00 0.35 N ATOM 1828 CA GLU A 121 6.257 9.230 15.296 1.00 0.37 C ATOM 1829 C GLU A 121 5.976 8.726 13.891 1.00 0.30 C ATOM 1830 O GLU A 121 6.479 7.680 13.482 1.00 0.37 O ATOM 1831 CB GLU A 121 5.916 8.126 16.289 1.00 0.48 C ATOM 1832 CG GLU A 121 6.286 8.448 17.719 1.00 0.62 C ATOM 1833 CD GLU A 121 6.168 7.241 18.621 1.00 1.04 C ATOM 1834 OE1 GLU A 121 7.117 6.434 18.677 1.00 1.40 O ATOM 1835 OE2 GLU A 121 5.128 7.098 19.294 1.00 1.45 O ATOM 0 H GLU A 121 4.645 10.287 16.119 1.00 0.35 H new ATOM 0 HA GLU A 121 7.312 9.486 15.391 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.846 7.924 16.238 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.428 7.211 15.989 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.308 8.827 17.752 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.639 9.243 18.091 1.00 0.62 H new ATOM 1842 N ALA A 122 5.143 9.465 13.174 1.00 0.24 N ATOM 1843 CA ALA A 122 4.798 9.127 11.806 1.00 0.22 C ATOM 1844 C ALA A 122 6.044 9.010 10.955 1.00 0.21 C ATOM 1845 O ALA A 122 6.770 9.982 10.753 1.00 0.26 O ATOM 1846 CB ALA A 122 3.860 10.162 11.211 1.00 0.27 C ATOM 0 H ALA A 122 4.691 10.310 13.523 1.00 0.24 H new ATOM 0 HA ALA A 122 4.288 8.164 11.819 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.617 9.885 10.185 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.945 10.206 11.802 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.344 11.139 11.218 1.00 0.27 H new ATOM 1852 N ASN A 123 6.298 7.810 10.479 1.00 0.21 N ATOM 1853 CA ASN A 123 7.372 7.587 9.539 1.00 0.23 C ATOM 1854 C ASN A 123 6.783 6.939 8.306 1.00 0.23 C ATOM 1855 O ASN A 123 6.947 5.744 8.072 1.00 0.25 O ATOM 1856 CB ASN A 123 8.444 6.678 10.145 1.00 0.26 C ATOM 1857 CG ASN A 123 9.828 7.043 9.741 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.954 7.642 8.595 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.788 6.786 10.464 1.00 0.52 N flip ATOM 0 H ASN A 123 5.773 6.972 10.729 1.00 0.21 H new ATOM 0 HA ASN A 123 7.845 8.536 9.286 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.369 6.716 11.232 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.247 5.648 9.847 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.642 6.314 11.356 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.730 7.045 10.172 1.00 0.52 H new ATOM 1866 N PRO A 124 6.096 7.740 7.493 1.00 0.25 N ATOM 1867 CA PRO A 124 5.341 7.236 6.349 1.00 0.32 C ATOM 1868 C PRO A 124 6.226 6.620 5.304 1.00 0.33 C ATOM 1869 O PRO A 124 6.068 5.460 4.960 1.00 0.35 O ATOM 1870 CB PRO A 124 4.665 8.481 5.810 1.00 0.40 C ATOM 1871 CG PRO A 124 5.512 9.613 6.267 1.00 0.32 C ATOM 1872 CD PRO A 124 5.986 9.206 7.624 1.00 0.27 C ATOM 0 HA PRO A 124 4.648 6.443 6.630 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.598 8.453 4.722 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.647 8.572 6.190 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.349 9.781 5.589 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.943 10.542 6.308 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.942 9.665 7.875 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.281 9.493 8.404 1.00 0.27 H new ATOM 1880 N ASP A 125 7.163 7.413 4.826 1.00 0.37 N ATOM 1881 CA ASP A 125 8.149 6.979 3.842 1.00 0.44 C ATOM 1882 C ASP A 125 8.828 5.692 4.281 1.00 0.34 C ATOM 1883 O ASP A 125 9.264 4.897 3.455 1.00 0.33 O ATOM 1884 CB ASP A 125 9.199 8.073 3.670 1.00 0.61 C ATOM 1885 CG ASP A 125 8.582 9.411 3.326 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.047 10.079 4.227 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.626 9.802 2.140 1.00 1.13 O ATOM 0 H ASP A 125 7.267 8.387 5.109 1.00 0.37 H new ATOM 0 HA ASP A 125 7.639 6.793 2.897 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.777 8.167 4.590 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.896 7.784 2.884 1.00 0.61 H new ATOM 1892 N ARG A 126 8.873 5.478 5.589 1.00 0.31 N ATOM 1893 CA ARG A 126 9.544 4.307 6.142 1.00 0.31 C ATOM 1894 C ARG A 126 8.668 3.083 5.983 1.00 0.27 C ATOM 1895 O ARG A 126 9.046 2.105 5.340 1.00 0.30 O ATOM 1896 CB ARG A 126 9.867 4.526 7.619 1.00 0.35 C ATOM 1897 CG ARG A 126 10.353 3.283 8.351 1.00 0.51 C ATOM 1898 CD ARG A 126 11.559 2.657 7.671 1.00 1.24 C ATOM 1899 NE ARG A 126 11.323 1.251 7.352 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.070 0.539 6.518 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.096 1.099 5.886 1.00 3.49 N ATOM 1902 NH2 ARG A 126 11.777 -0.736 6.302 1.00 3.79 N ATOM 0 H ARG A 126 8.455 6.096 6.285 1.00 0.31 H new ATOM 0 HA ARG A 126 10.476 4.152 5.598 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.629 5.301 7.700 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.975 4.902 8.121 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.611 3.544 9.377 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.545 2.553 8.401 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.788 3.205 6.757 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.430 2.743 8.321 1.00 1.24 H new ATOM 0 HE ARG A 126 10.533 0.787 7.799 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.314 2.083 6.040 1.00 3.49 H new ATOM 0 HH12 ARG A 126 13.665 0.545 5.247 1.00 3.49 H new ATOM 0 HH21 ARG A 126 10.981 -1.164 6.776 1.00 3.79 H new ATOM 0 HH22 ARG A 126 12.347 -1.289 5.662 1.00 3.79 H new ATOM 1916 N VAL A 127 7.491 3.159 6.567 1.00 0.25 N ATOM 1917 CA VAL A 127 6.536 2.059 6.518 1.00 0.28 C ATOM 1918 C VAL A 127 6.075 1.817 5.080 1.00 0.28 C ATOM 1919 O VAL A 127 5.746 0.695 4.679 1.00 0.33 O ATOM 1920 CB VAL A 127 5.355 2.335 7.474 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.920 2.749 8.813 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.399 3.403 6.952 1.00 0.44 C ATOM 0 H VAL A 127 7.166 3.975 7.086 1.00 0.25 H new ATOM 0 HA VAL A 127 7.021 1.144 6.858 1.00 0.28 H new ATOM 0 HB VAL A 127 4.767 1.421 7.560 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.103 2.950 9.506 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.543 1.947 9.209 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.522 3.650 8.691 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.591 3.550 7.669 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.939 4.340 6.816 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.982 3.083 5.997 1.00 0.44 H new ATOM 1932 N MET A 128 6.116 2.878 4.303 1.00 0.27 N ATOM 1933 CA MET A 128 5.885 2.827 2.875 1.00 0.31 C ATOM 1934 C MET A 128 6.932 1.930 2.212 1.00 0.26 C ATOM 1935 O MET A 128 6.600 0.985 1.497 1.00 0.35 O ATOM 1936 CB MET A 128 5.962 4.267 2.350 1.00 0.52 C ATOM 1937 CG MET A 128 5.577 4.466 0.905 1.00 0.81 C ATOM 1938 SD MET A 128 5.522 6.219 0.459 1.00 0.67 S ATOM 1939 CE MET A 128 4.726 6.176 -1.149 1.00 0.46 C ATOM 0 H MET A 128 6.314 3.816 4.652 1.00 0.27 H new ATOM 0 HA MET A 128 4.907 2.404 2.644 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.316 4.892 2.967 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.981 4.628 2.487 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.292 3.950 0.264 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.602 4.014 0.723 1.00 0.81 H new ATOM 0 HE1 MET A 128 5.466 6.366 -1.926 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.278 5.195 -1.307 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.950 6.940 -1.191 1.00 0.46 H new ATOM 1949 N GLN A 129 8.199 2.207 2.505 1.00 0.24 N ATOM 1950 CA GLN A 129 9.328 1.462 1.933 1.00 0.27 C ATOM 1951 C GLN A 129 9.283 -0.029 2.254 1.00 0.30 C ATOM 1952 O GLN A 129 9.746 -0.848 1.457 1.00 0.33 O ATOM 1953 CB GLN A 129 10.660 2.042 2.414 1.00 0.32 C ATOM 1954 CG GLN A 129 11.173 3.188 1.566 1.00 0.42 C ATOM 1955 CD GLN A 129 12.480 3.756 2.086 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.497 4.691 2.883 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.584 3.183 1.642 1.00 1.31 N ATOM 0 H GLN A 129 8.477 2.952 3.144 1.00 0.24 H new ATOM 0 HA GLN A 129 9.243 1.570 0.852 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.545 2.387 3.442 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.407 1.249 2.426 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.313 2.843 0.541 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.423 3.978 1.537 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.526 2.409 0.980 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.494 3.515 1.961 1.00 1.31 H new ATOM 1966 N GLU A 130 8.738 -0.402 3.403 1.00 0.37 N ATOM 1967 CA GLU A 130 8.700 -1.809 3.769 1.00 0.43 C ATOM 1968 C GLU A 130 7.547 -2.548 3.091 1.00 0.36 C ATOM 1969 O GLU A 130 7.563 -3.778 3.011 1.00 0.35 O ATOM 1970 CB GLU A 130 8.703 -2.012 5.287 1.00 0.61 C ATOM 1971 CG GLU A 130 7.871 -1.018 6.063 1.00 0.63 C ATOM 1972 CD GLU A 130 8.195 -1.047 7.537 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.308 -0.609 7.910 1.00 1.64 O ATOM 1974 OE2 GLU A 130 7.356 -1.522 8.326 1.00 1.63 O ATOM 0 H GLU A 130 8.325 0.235 4.084 1.00 0.37 H new ATOM 0 HA GLU A 130 9.621 -2.255 3.394 1.00 0.43 H new ATOM 0 HB2 GLU A 130 8.340 -3.016 5.505 1.00 0.61 H new ATOM 0 HB3 GLU A 130 9.732 -1.960 5.644 1.00 0.61 H new ATOM 0 HG2 GLU A 130 8.044 -0.015 5.672 1.00 0.63 H new ATOM 0 HG3 GLU A 130 6.813 -1.238 5.919 1.00 0.63 H new ATOM 1981 N LEU A 131 6.564 -1.820 2.562 1.00 0.36 N ATOM 1982 CA LEU A 131 5.602 -2.451 1.673 1.00 0.37 C ATOM 1983 C LEU A 131 6.300 -2.843 0.388 1.00 0.29 C ATOM 1984 O LEU A 131 6.019 -3.886 -0.202 1.00 0.32 O ATOM 1985 CB LEU A 131 4.448 -1.520 1.346 1.00 0.49 C ATOM 1986 CG LEU A 131 3.274 -1.532 2.330 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.728 -1.442 3.766 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.368 -0.376 2.035 1.00 1.18 C ATOM 0 H LEU A 131 6.418 -0.824 2.729 1.00 0.36 H new ATOM 0 HA LEU A 131 5.198 -3.329 2.177 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.834 -0.503 1.285 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.069 -1.777 0.357 1.00 0.49 H new ATOM 0 HG LEU A 131 2.751 -2.480 2.203 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.859 -1.454 4.424 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.371 -2.291 3.998 1.00 1.36 H new ATOM 0 HD13 LEU A 131 4.283 -0.516 3.915 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.531 -0.382 2.734 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.922 0.557 2.140 1.00 1.18 H new ATOM 0 HD23 LEU A 131 1.990 -0.461 1.016 1.00 1.18 H new ATOM 2000 N MET A 132 7.241 -2.005 -0.028 1.00 0.25 N ATOM 2001 CA MET A 132 8.013 -2.271 -1.232 1.00 0.26 C ATOM 2002 C MET A 132 8.974 -3.429 -0.979 1.00 0.30 C ATOM 2003 O MET A 132 9.481 -4.046 -1.914 1.00 0.37 O ATOM 2004 CB MET A 132 8.800 -1.046 -1.691 1.00 0.32 C ATOM 2005 CG MET A 132 8.318 0.247 -1.108 1.00 0.88 C ATOM 2006 SD MET A 132 6.666 0.671 -1.635 1.00 1.60 S ATOM 2007 CE MET A 132 6.685 2.399 -1.241 1.00 1.61 C ATOM 0 H MET A 132 7.487 -1.138 0.450 1.00 0.25 H new ATOM 0 HA MET A 132 7.310 -2.530 -2.024 1.00 0.26 H new ATOM 0 HB2 MET A 132 9.849 -1.182 -1.427 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.750 -0.982 -2.778 1.00 0.32 H new ATOM 0 HG2 MET A 132 8.342 0.181 -0.020 1.00 0.88 H new ATOM 0 HG3 MET A 132 9.002 1.046 -1.394 1.00 0.88 H new ATOM 0 HE1 MET A 132 5.700 2.702 -0.884 1.00 1.61 H new ATOM 0 HE2 MET A 132 7.426 2.587 -0.464 1.00 1.61 H new ATOM 0 HE3 MET A 132 6.940 2.973 -2.132 1.00 1.61 H new ATOM 2017 N GLU A 133 9.225 -3.708 0.297 1.00 0.32 N ATOM 2018 CA GLU A 133 10.011 -4.864 0.690 1.00 0.40 C ATOM 2019 C GLU A 133 9.203 -6.114 0.418 1.00 0.38 C ATOM 2020 O GLU A 133 9.745 -7.172 0.098 1.00 0.45 O ATOM 2021 CB GLU A 133 10.374 -4.783 2.169 1.00 0.54 C ATOM 2022 CG GLU A 133 11.303 -3.632 2.498 1.00 0.79 C ATOM 2023 CD GLU A 133 12.714 -3.870 2.010 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.965 -3.696 0.801 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.577 -4.232 2.836 1.00 1.53 O ATOM 0 H GLU A 133 8.891 -3.143 1.078 1.00 0.32 H new ATOM 0 HA GLU A 133 10.937 -4.890 0.116 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.460 -4.682 2.755 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.845 -5.718 2.472 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.916 -2.717 2.049 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.316 -3.477 3.577 1.00 0.79 H new ATOM 2032 N TYR A 134 7.891 -5.967 0.520 1.00 0.35 N ATOM 2033 CA TYR A 134 6.981 -7.032 0.154 1.00 0.40 C ATOM 2034 C TYR A 134 6.569 -6.885 -1.301 1.00 0.41 C ATOM 2035 O TYR A 134 5.574 -7.455 -1.751 1.00 0.50 O ATOM 2036 CB TYR A 134 5.784 -7.056 1.087 1.00 0.46 C ATOM 2037 CG TYR A 134 6.138 -7.583 2.459 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.445 -8.922 2.658 1.00 0.98 C ATOM 2039 CD2 TYR A 134 6.130 -6.740 3.558 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.736 -9.404 3.920 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.417 -7.214 4.823 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.859 -8.561 4.957 1.00 0.80 C ATOM 2043 OH TYR A 134 7.004 -9.025 6.258 1.00 0.95 O ATOM 0 H TYR A 134 7.436 -5.118 0.854 1.00 0.35 H new ATOM 0 HA TYR A 134 7.488 -7.991 0.260 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.378 -6.049 1.180 1.00 0.46 H new ATOM 0 HB3 TYR A 134 5.000 -7.676 0.653 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.457 -9.597 1.815 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.895 -5.694 3.423 1.00 0.88 H new ATOM 0 HE1 TYR A 134 6.865 -10.465 4.073 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.309 -6.579 5.690 1.00 0.95 H new ATOM 0 HH TYR A 134 7.079 -8.264 6.870 1.00 0.95 H new ATOM 2053 N ASN A 135 7.361 -6.090 -2.015 1.00 0.36 N ATOM 2054 CA ASN A 135 7.272 -5.929 -3.456 1.00 0.43 C ATOM 2055 C ASN A 135 5.915 -5.375 -3.867 1.00 0.48 C ATOM 2056 O ASN A 135 5.247 -5.916 -4.746 1.00 0.64 O ATOM 2057 CB ASN A 135 7.556 -7.267 -4.146 1.00 0.58 C ATOM 2058 CG ASN A 135 7.874 -7.139 -5.621 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.492 -6.178 -6.287 1.00 0.89 O ATOM 2060 ND2 ASN A 135 8.571 -8.125 -6.145 1.00 1.10 N ATOM 0 H ASN A 135 8.100 -5.527 -1.593 1.00 0.36 H new ATOM 0 HA ASN A 135 8.024 -5.206 -3.773 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.393 -7.753 -3.644 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.690 -7.918 -4.026 1.00 0.58 H new ATOM 0 HD21 ASN A 135 8.812 -8.109 -7.136 1.00 1.10 H new ATOM 0 HD22 ASN A 135 8.870 -8.905 -5.560 1.00 1.10 H new ATOM 2067 N LEU A 136 5.476 -4.324 -3.192 1.00 0.44 N ATOM 2068 CA LEU A 136 4.350 -3.572 -3.652 1.00 0.54 C ATOM 2069 C LEU A 136 4.721 -2.106 -3.624 1.00 0.41 C ATOM 2070 O LEU A 136 5.112 -1.578 -2.591 1.00 0.47 O ATOM 2071 CB LEU A 136 3.126 -3.892 -2.793 1.00 0.78 C ATOM 2072 CG LEU A 136 3.062 -3.229 -1.418 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.154 -2.010 -1.456 1.00 1.36 C ATOM 2074 CD2 LEU A 136 2.585 -4.218 -0.375 1.00 1.17 C ATOM 0 H LEU A 136 5.892 -3.983 -2.325 1.00 0.44 H new ATOM 0 HA LEU A 136 4.086 -3.838 -4.676 1.00 0.54 H new ATOM 0 HB2 LEU A 136 2.234 -3.606 -3.351 1.00 0.78 H new ATOM 0 HB3 LEU A 136 3.081 -4.972 -2.653 1.00 0.78 H new ATOM 0 HG LEU A 136 4.065 -2.900 -1.146 1.00 0.64 H new ATOM 0 HD11 LEU A 136 2.120 -1.550 -0.468 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.541 -1.291 -2.178 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.149 -2.314 -1.749 1.00 1.36 H new ATOM 0 HD21 LEU A 136 2.545 -3.729 0.599 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.591 -4.577 -0.642 1.00 1.17 H new ATOM 0 HD23 LEU A 136 3.275 -5.061 -0.330 1.00 1.17 H new ATOM 2086 N VAL A 137 4.645 -1.466 -4.772 1.00 0.31 N ATOM 2087 CA VAL A 137 5.205 -0.143 -4.931 1.00 0.27 C ATOM 2088 C VAL A 137 4.147 0.858 -5.370 1.00 0.29 C ATOM 2089 O VAL A 137 3.248 0.534 -6.143 1.00 0.33 O ATOM 2090 CB VAL A 137 6.386 -0.187 -5.924 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.669 1.179 -6.532 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.615 -0.714 -5.207 1.00 0.41 C ATOM 0 H VAL A 137 4.200 -1.842 -5.609 1.00 0.31 H new ATOM 0 HA VAL A 137 5.579 0.193 -3.964 1.00 0.27 H new ATOM 0 HB VAL A 137 6.121 -0.852 -6.746 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.507 1.102 -7.225 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.786 1.529 -7.068 1.00 0.43 H new ATOM 0 HG13 VAL A 137 6.916 1.886 -5.740 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.455 -0.748 -5.901 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.860 -0.056 -4.374 1.00 0.41 H new ATOM 0 HG23 VAL A 137 7.414 -1.717 -4.830 1.00 0.41 H new ATOM 2102 N PRO A 138 4.247 2.090 -4.851 1.00 0.34 N ATOM 2103 CA PRO A 138 3.282 3.145 -5.095 1.00 0.43 C ATOM 2104 C PRO A 138 3.306 3.668 -6.499 1.00 0.43 C ATOM 2105 O PRO A 138 4.067 3.227 -7.355 1.00 0.45 O ATOM 2106 CB PRO A 138 3.703 4.283 -4.170 1.00 0.53 C ATOM 2107 CG PRO A 138 5.102 3.999 -3.791 1.00 0.54 C ATOM 2108 CD PRO A 138 5.315 2.526 -3.958 1.00 0.39 C ATOM 0 HA PRO A 138 2.277 2.759 -4.924 1.00 0.43 H new ATOM 0 HB2 PRO A 138 3.623 5.246 -4.674 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.061 4.329 -3.290 1.00 0.53 H new ATOM 0 HG2 PRO A 138 5.793 4.561 -4.419 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.290 4.301 -2.761 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.296 2.315 -4.383 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.265 2.009 -3.000 1.00 0.39 H new ATOM 2116 N GLU A 139 2.511 4.679 -6.690 1.00 0.48 N ATOM 2117 CA GLU A 139 2.404 5.336 -7.981 1.00 0.56 C ATOM 2118 C GLU A 139 3.501 6.376 -8.125 1.00 0.56 C ATOM 2119 O GLU A 139 4.018 6.594 -9.220 1.00 0.64 O ATOM 2120 CB GLU A 139 1.029 5.978 -8.184 1.00 0.71 C ATOM 2121 CG GLU A 139 0.170 6.015 -6.933 1.00 1.35 C ATOM 2122 CD GLU A 139 0.752 6.879 -5.837 1.00 2.40 C ATOM 2123 OE1 GLU A 139 0.661 8.119 -5.940 1.00 2.78 O ATOM 2124 OE2 GLU A 139 1.308 6.312 -4.878 1.00 3.08 O ATOM 0 H GLU A 139 1.916 5.079 -5.965 1.00 0.48 H new ATOM 0 HA GLU A 139 2.523 4.575 -8.753 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.166 6.996 -8.548 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.496 5.431 -8.961 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.822 6.386 -7.192 1.00 1.35 H new ATOM 0 HG3 GLU A 139 0.042 5.000 -6.557 1.00 1.35 H new ATOM 2131 N GLU A 140 3.878 6.988 -7.005 1.00 0.54 N ATOM 2132 CA GLU A 140 4.948 7.974 -7.009 1.00 0.60 C ATOM 2133 C GLU A 140 6.300 7.323 -7.315 1.00 0.56 C ATOM 2134 O GLU A 140 7.255 8.005 -7.684 1.00 0.65 O ATOM 2135 CB GLU A 140 5.001 8.756 -5.676 1.00 0.67 C ATOM 2136 CG GLU A 140 4.994 7.915 -4.419 1.00 0.63 C ATOM 2137 CD GLU A 140 5.260 8.765 -3.187 1.00 1.12 C ATOM 2138 OE1 GLU A 140 6.444 8.960 -2.836 1.00 1.57 O ATOM 2139 OE2 GLU A 140 4.293 9.260 -2.574 1.00 1.27 O ATOM 0 H GLU A 140 3.460 6.818 -6.090 1.00 0.54 H new ATOM 0 HA GLU A 140 4.731 8.688 -7.804 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.900 9.372 -5.673 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.149 9.435 -5.641 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.031 7.415 -4.318 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.751 7.135 -4.496 1.00 0.63 H new ATOM 2146 N TRP A 141 6.384 6.001 -7.169 1.00 0.47 N ATOM 2147 CA TRP A 141 7.629 5.287 -7.415 1.00 0.49 C ATOM 2148 C TRP A 141 7.543 4.451 -8.690 1.00 0.51 C ATOM 2149 O TRP A 141 8.516 3.811 -9.094 1.00 0.66 O ATOM 2150 CB TRP A 141 7.988 4.410 -6.223 1.00 0.45 C ATOM 2151 CG TRP A 141 8.150 5.165 -4.933 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.792 6.458 -4.698 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.705 4.684 -3.699 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.048 6.802 -3.404 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.618 5.737 -2.766 1.00 0.49 C ATOM 2156 CE3 TRP A 141 9.256 3.465 -3.287 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 9.056 5.612 -1.456 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.697 3.348 -1.980 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.590 4.414 -1.079 1.00 0.52 C ATOM 0 H TRP A 141 5.606 5.408 -6.882 1.00 0.47 H new ATOM 0 HA TRP A 141 8.418 6.026 -7.551 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.213 3.655 -6.095 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.916 3.881 -6.441 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.364 7.120 -5.436 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.847 7.708 -2.981 1.00 0.55 H new ATOM 0 HE3 TRP A 141 9.335 2.635 -3.973 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.977 6.433 -0.759 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 10.132 2.416 -1.649 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.937 4.286 -0.064 1.00 0.52 H new ATOM 2170 N GLY A 142 6.372 4.456 -9.321 1.00 0.45 N ATOM 2171 CA GLY A 142 6.206 3.784 -10.598 1.00 0.50 C ATOM 2172 C GLY A 142 5.825 2.316 -10.474 1.00 0.45 C ATOM 2173 O GLY A 142 6.203 1.504 -11.320 1.00 0.53 O ATOM 0 H GLY A 142 5.532 4.915 -8.969 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.439 4.302 -11.173 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.135 3.862 -11.163 1.00 0.50 H new ATOM 2177 N GLY A 143 5.080 1.963 -9.434 1.00 0.39 N ATOM 2178 CA GLY A 143 4.618 0.603 -9.288 1.00 0.41 C ATOM 2179 C GLY A 143 3.140 0.490 -9.571 1.00 0.45 C ATOM 2180 O GLY A 143 2.662 0.979 -10.597 1.00 0.60 O ATOM 0 H GLY A 143 4.789 2.598 -8.690 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.171 -0.046 -9.968 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.824 0.254 -8.276 1.00 0.41 H new ATOM 2184 N ASP A 144 2.412 -0.109 -8.644 1.00 0.40 N ATOM 2185 CA ASP A 144 0.979 -0.338 -8.823 1.00 0.45 C ATOM 2186 C ASP A 144 0.231 -0.330 -7.493 1.00 0.33 C ATOM 2187 O ASP A 144 -0.396 -1.323 -7.083 1.00 0.35 O ATOM 2188 CB ASP A 144 0.709 -1.662 -9.535 1.00 0.64 C ATOM 2189 CG ASP A 144 1.032 -1.643 -11.015 1.00 1.33 C ATOM 2190 OD1 ASP A 144 0.179 -1.187 -11.811 1.00 1.91 O ATOM 2191 OD2 ASP A 144 2.151 -2.056 -11.390 1.00 1.91 O ATOM 0 H ASP A 144 2.785 -0.448 -7.757 1.00 0.40 H new ATOM 0 HA ASP A 144 0.614 0.484 -9.439 1.00 0.45 H new ATOM 0 HB2 ASP A 144 1.295 -2.446 -9.056 1.00 0.64 H new ATOM 0 HB3 ASP A 144 -0.341 -1.924 -9.406 1.00 0.64 H new ATOM 2196 N THR A 145 0.267 0.808 -6.839 1.00 0.26 N ATOM 2197 CA THR A 145 -0.462 1.008 -5.604 1.00 0.24 C ATOM 2198 C THR A 145 -0.616 2.492 -5.327 1.00 0.27 C ATOM 2199 O THR A 145 0.361 3.233 -5.351 1.00 0.37 O ATOM 2200 CB THR A 145 0.253 0.348 -4.407 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.284 -1.076 -4.563 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.443 0.703 -3.106 1.00 0.30 C ATOM 0 H THR A 145 0.801 1.621 -7.146 1.00 0.26 H new ATOM 0 HA THR A 145 -1.440 0.542 -5.723 1.00 0.24 H new ATOM 0 HB THR A 145 1.275 0.725 -4.376 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.286 -1.335 -5.317 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.077 0.228 -2.274 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.432 1.785 -2.971 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.474 0.352 -3.138 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.837 2.933 -5.077 1.00 0.26 N ATOM 2211 CA ILE A 146 -2.061 4.299 -4.681 1.00 0.28 C ATOM 2212 C ILE A 146 -1.743 4.440 -3.205 1.00 0.23 C ATOM 2213 O ILE A 146 -2.491 3.973 -2.344 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.509 4.742 -4.942 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.843 4.650 -6.434 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.720 6.152 -4.428 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -3.006 5.565 -7.292 1.00 0.63 C ATOM 0 H ILE A 146 -2.680 2.363 -5.143 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.410 4.939 -5.277 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.182 4.072 -4.407 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.702 3.622 -6.768 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.896 4.891 -6.579 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.749 6.458 -4.617 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.524 6.182 -3.356 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -3.039 6.832 -4.941 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.295 5.449 -8.337 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -3.165 6.599 -6.984 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.953 5.310 -7.176 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.610 5.041 -2.924 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.158 5.220 -1.557 1.00 0.30 C ATOM 2231 C PHE A 147 -0.685 6.514 -0.955 1.00 0.32 C ATOM 2232 O PHE A 147 -0.385 7.612 -1.425 1.00 0.50 O ATOM 2233 CB PHE A 147 1.357 5.222 -1.498 1.00 0.41 C ATOM 2234 CG PHE A 147 1.950 3.880 -1.214 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.952 2.877 -2.168 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.490 3.619 0.019 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.485 1.639 -1.882 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.019 2.391 0.318 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.077 1.394 -0.744 1.00 0.33 C ATOM 0 H PHE A 147 0.023 5.419 -3.629 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.549 4.385 -0.975 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.748 5.588 -2.447 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.681 5.922 -0.728 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.532 3.066 -3.145 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.499 4.396 0.769 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.411 0.851 -2.617 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.382 2.168 1.310 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.603 0.463 -0.591 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.486 6.376 0.076 1.00 0.26 N ATOM 2250 CA CYS A 148 -1.954 7.507 0.845 1.00 0.27 C ATOM 2251 C CYS A 148 -1.259 7.564 2.205 1.00 0.31 C ATOM 2252 O CYS A 148 -0.966 6.533 2.809 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.466 7.415 1.021 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.384 7.526 -0.530 1.00 0.68 S ATOM 0 H CYS A 148 -1.832 5.475 0.406 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.712 8.423 0.307 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.709 6.472 1.511 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.795 8.214 1.686 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.185 8.549 -0.488 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.975 8.774 2.664 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.361 8.996 3.971 1.00 0.28 C ATOM 2262 C LYS A 149 -1.316 9.811 4.832 1.00 0.28 C ATOM 2263 O LYS A 149 -1.381 11.035 4.709 1.00 0.40 O ATOM 2264 CB LYS A 149 0.976 9.728 3.808 1.00 0.36 C ATOM 2265 CG LYS A 149 2.006 8.945 3.003 1.00 0.56 C ATOM 2266 CD LYS A 149 3.227 9.790 2.671 1.00 0.89 C ATOM 2267 CE LYS A 149 4.303 8.961 1.982 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.413 9.803 1.462 1.00 1.44 N ATOM 0 H LYS A 149 -1.162 9.631 2.144 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.166 8.039 4.455 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.799 10.687 3.321 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.386 9.943 4.795 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.316 8.065 3.567 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.550 8.587 2.080 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.934 10.618 2.026 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.630 10.225 3.585 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.702 8.230 2.685 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.857 8.402 1.159 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.444 9.734 0.425 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.257 10.793 1.739 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 6.315 9.471 1.858 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.069 9.137 5.688 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.160 9.769 6.398 1.00 0.22 C ATOM 2284 C LEU A 150 -3.121 9.492 7.898 1.00 0.19 C ATOM 2285 O LEU A 150 -2.188 8.922 8.440 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.493 9.275 5.824 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.809 7.794 5.975 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.661 7.526 7.204 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.493 7.271 4.725 1.00 0.84 C ATOM 0 H LEU A 150 -1.940 8.149 5.905 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.057 10.846 6.263 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.295 9.842 6.297 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.514 9.518 4.762 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.866 7.264 6.108 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.866 6.458 7.279 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.128 7.856 8.095 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.601 8.071 7.121 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.713 6.210 4.847 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.422 7.818 4.563 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.836 7.409 3.866 1.00 0.84 H new ATOM 2301 N SER A 151 -4.181 9.899 8.532 1.00 0.26 N ATOM 2302 CA SER A 151 -4.435 9.648 9.928 1.00 0.29 C ATOM 2303 C SER A 151 -5.921 9.773 10.131 1.00 0.25 C ATOM 2304 O SER A 151 -6.493 10.837 9.893 1.00 0.29 O ATOM 2305 CB SER A 151 -3.715 10.619 10.846 1.00 0.46 C ATOM 2306 OG SER A 151 -4.148 10.427 12.179 1.00 1.77 O ATOM 0 H SER A 151 -4.921 10.434 8.079 1.00 0.26 H new ATOM 0 HA SER A 151 -4.062 8.656 10.182 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.638 10.467 10.778 1.00 0.46 H new ATOM 0 HB3 SER A 151 -3.913 11.644 10.534 1.00 0.46 H new ATOM 0 HG SER A 151 -3.514 9.845 12.648 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.562 8.691 10.504 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.973 8.752 10.822 1.00 0.31 C ATOM 2314 C ALA A 152 -8.147 9.398 12.182 1.00 0.33 C ATOM 2315 O ALA A 152 -9.253 9.727 12.598 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.589 7.374 10.782 1.00 0.41 C ATOM 0 H ALA A 152 -6.138 7.768 10.595 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.490 9.357 10.077 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.650 7.442 11.024 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.471 6.951 9.784 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.092 6.732 11.509 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.027 9.571 12.863 1.00 0.30 N ATOM 2323 CA LYS A 153 -6.996 10.280 14.119 1.00 0.34 C ATOM 2324 C LYS A 153 -7.143 11.785 13.890 1.00 0.36 C ATOM 2325 O LYS A 153 -7.985 12.429 14.513 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.695 9.969 14.817 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.773 9.960 16.322 1.00 0.60 C ATOM 2328 CD LYS A 153 -5.685 11.359 16.904 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.146 11.325 18.325 1.00 1.65 C ATOM 2330 NZ LYS A 153 -3.872 10.561 18.401 1.00 2.30 N ATOM 0 H LYS A 153 -6.119 9.223 12.557 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.830 9.959 14.744 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.341 8.995 14.479 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -4.950 10.703 14.510 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.709 9.496 16.634 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.965 9.349 16.723 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.038 11.976 16.281 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -6.671 11.823 16.896 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -4.984 12.343 18.679 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.885 10.871 18.986 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.209 11.053 19.034 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -4.061 9.607 18.771 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -3.454 10.488 17.452 1.00 2.30 H new ATOM 2344 N THR A 154 -6.332 12.353 12.995 1.00 0.30 N ATOM 2345 CA THR A 154 -6.480 13.767 12.662 1.00 0.39 C ATOM 2346 C THR A 154 -7.593 13.980 11.649 1.00 0.36 C ATOM 2347 O THR A 154 -8.065 15.101 11.455 1.00 0.41 O ATOM 2348 CB THR A 154 -5.182 14.378 12.106 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.522 13.428 11.262 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.259 14.822 13.231 1.00 0.70 C ATOM 0 H THR A 154 -5.584 11.868 12.499 1.00 0.30 H new ATOM 0 HA THR A 154 -6.728 14.271 13.596 1.00 0.39 H new ATOM 0 HB THR A 154 -5.439 15.260 11.519 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.581 13.356 11.525 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.350 15.250 12.808 1.00 0.70 H new ATOM 0 HG22 THR A 154 -4.763 15.572 13.841 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.002 13.963 13.851 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.995 12.882 11.003 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.054 12.899 9.996 1.00 0.32 C ATOM 2360 C LYS A 155 -8.611 13.666 8.775 1.00 0.34 C ATOM 2361 O LYS A 155 -9.385 14.389 8.154 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.346 13.496 10.557 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.070 12.554 11.486 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.320 11.223 10.809 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.273 10.362 11.625 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.578 11.041 11.867 1.00 1.36 N ATOM 0 H LYS A 155 -7.594 11.958 11.165 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.256 11.867 9.709 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.113 14.418 11.090 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.006 13.763 9.732 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.481 12.403 12.390 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.018 12.995 11.793 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.736 11.390 9.815 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.375 10.697 10.675 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.446 9.421 11.104 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -11.810 10.117 12.581 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.302 10.330 12.097 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.481 11.706 12.661 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.862 11.561 11.012 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.368 13.456 8.408 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.738 14.241 7.374 1.00 0.33 C ATOM 2382 C GLU A 156 -6.776 13.476 6.053 1.00 0.28 C ATOM 2383 O GLU A 156 -7.469 13.848 5.096 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.304 14.558 7.835 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.274 14.595 6.729 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.247 15.906 5.974 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.504 16.823 6.375 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -4.976 16.025 4.967 1.00 2.48 O ATOM 0 H GLU A 156 -6.768 12.739 8.816 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.264 15.180 7.205 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.306 15.523 8.342 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.001 13.812 8.570 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -3.288 14.410 7.155 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.476 13.785 6.028 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.084 12.361 6.035 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.959 11.601 4.831 1.00 0.28 C ATOM 2397 C GLY A 157 -7.202 10.810 4.487 1.00 0.27 C ATOM 2398 O GLY A 157 -7.231 10.145 3.465 1.00 0.29 O ATOM 0 H GLY A 157 -5.603 11.967 6.843 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.727 12.276 4.007 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.117 10.916 4.929 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.225 10.850 5.341 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.466 10.164 5.033 1.00 0.28 C ATOM 2404 C LEU A 158 -10.179 10.892 3.913 1.00 0.30 C ATOM 2405 O LEU A 158 -10.791 10.276 3.042 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.362 10.063 6.263 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.933 9.013 7.290 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.003 8.842 8.354 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.646 7.686 6.608 1.00 0.80 C ATOM 0 H LEU A 158 -8.215 11.342 6.234 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.233 9.148 4.713 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.393 11.037 6.752 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.377 9.837 5.937 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.018 9.358 7.772 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.681 8.092 9.076 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.163 9.792 8.865 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.933 8.520 7.886 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.342 6.952 7.354 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.545 7.336 6.099 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.845 7.817 5.880 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.071 12.212 3.930 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.602 13.017 2.848 1.00 0.38 C ATOM 2423 C ASP A 159 -9.713 12.858 1.620 1.00 0.32 C ATOM 2424 O ASP A 159 -10.202 12.741 0.495 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.703 14.490 3.254 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.302 15.360 2.163 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.543 15.380 2.025 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -10.535 16.015 1.424 1.00 2.20 O ATOM 0 H ASP A 159 -9.623 12.743 4.677 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.609 12.673 2.613 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.312 14.573 4.154 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -9.710 14.862 3.505 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.400 12.818 1.845 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.454 12.599 0.751 1.00 0.30 C ATOM 2435 C HIS A 160 -7.565 11.172 0.193 1.00 0.28 C ATOM 2436 O HIS A 160 -7.120 10.892 -0.919 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.017 12.891 1.213 1.00 0.34 C ATOM 2438 CG HIS A 160 -4.978 12.699 0.144 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.586 13.697 -0.719 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.267 11.603 -0.210 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.685 13.224 -1.560 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.471 11.954 -1.270 1.00 0.54 N ATOM 0 H HIS A 160 -7.971 12.933 2.763 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.707 13.290 -0.053 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -5.965 13.918 1.575 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.779 12.243 2.056 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.317 10.630 0.257 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.205 13.781 -2.351 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.821 11.336 -1.755 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.165 10.276 0.955 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.294 8.889 0.534 1.00 0.28 C ATOM 2453 C LEU A 161 -9.359 8.767 -0.531 1.00 0.29 C ATOM 2454 O LEU A 161 -9.113 8.259 -1.624 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.658 8.001 1.728 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.694 6.495 1.447 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.322 5.991 1.029 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.189 5.744 2.674 1.00 1.16 C ATOM 0 H LEU A 161 -8.571 10.481 1.868 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.338 8.561 0.126 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.941 8.186 2.528 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.636 8.306 2.100 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.385 6.314 0.624 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.372 4.920 0.835 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.004 6.509 0.124 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.605 6.182 1.828 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.210 4.675 2.462 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.519 5.935 3.512 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.193 6.084 2.928 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.540 9.263 -0.207 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.678 9.177 -1.098 1.00 0.37 C ATOM 2472 C LEU A 162 -11.428 9.932 -2.400 1.00 0.38 C ATOM 2473 O LEU A 162 -11.986 9.573 -3.429 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.934 9.693 -0.385 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.875 11.135 0.136 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.250 12.135 -0.948 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.782 11.294 1.342 1.00 1.51 C ATOM 0 H LEU A 162 -10.734 9.734 0.677 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.832 8.131 -1.364 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.776 9.612 -1.073 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.145 9.033 0.457 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.848 11.342 0.435 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.198 13.146 -0.544 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.557 12.042 -1.784 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.264 11.934 -1.293 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.731 12.321 1.702 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.808 11.059 1.059 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.459 10.616 2.132 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.586 10.963 -2.369 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.284 11.710 -3.590 1.00 0.44 C ATOM 2491 C GLU A 163 -9.368 10.890 -4.498 1.00 0.41 C ATOM 2492 O GLU A 163 -9.497 10.936 -5.722 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.655 13.074 -3.287 1.00 0.56 C ATOM 2494 CG GLU A 163 -8.266 13.003 -2.680 1.00 1.03 C ATOM 2495 CD GLU A 163 -7.654 14.366 -2.463 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -8.222 15.153 -1.684 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -6.599 14.655 -3.062 1.00 2.57 O ATOM 0 H GLU A 163 -10.109 11.296 -1.531 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.227 11.894 -4.105 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.606 13.651 -4.211 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -10.309 13.619 -2.606 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -8.317 12.476 -1.727 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -7.618 12.418 -3.333 1.00 1.03 H new ATOM 2504 N MET A 164 -8.456 10.128 -3.898 1.00 0.37 N ATOM 2505 CA MET A 164 -7.574 9.262 -4.673 1.00 0.39 C ATOM 2506 C MET A 164 -8.366 8.091 -5.227 1.00 0.37 C ATOM 2507 O MET A 164 -8.172 7.674 -6.368 1.00 0.43 O ATOM 2508 CB MET A 164 -6.411 8.752 -3.820 1.00 0.43 C ATOM 2509 CG MET A 164 -5.429 9.834 -3.374 1.00 0.64 C ATOM 2510 SD MET A 164 -4.519 10.591 -4.740 1.00 0.58 S ATOM 2511 CE MET A 164 -5.714 11.768 -5.371 1.00 0.53 C ATOM 0 H MET A 164 -8.310 10.093 -2.889 1.00 0.37 H new ATOM 0 HA MET A 164 -7.158 9.843 -5.496 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.815 8.259 -2.936 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.866 7.996 -4.386 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.975 10.610 -2.838 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.718 9.400 -2.671 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.898 11.569 -6.427 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.647 11.672 -4.816 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.325 12.780 -5.254 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.275 7.577 -4.408 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.170 6.509 -4.820 1.00 0.38 C ATOM 2523 C ILE A 165 -11.127 7.003 -5.904 1.00 0.44 C ATOM 2524 O ILE A 165 -11.436 6.284 -6.851 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.977 5.970 -3.622 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.039 5.330 -2.591 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.020 4.971 -4.087 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.750 4.825 -1.352 1.00 0.50 C ATOM 0 H ILE A 165 -9.410 7.888 -3.446 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.560 5.699 -5.221 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.492 6.806 -3.149 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.511 4.500 -3.060 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.286 6.061 -2.295 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.579 4.602 -3.227 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.704 5.456 -4.783 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.527 4.136 -4.585 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.023 4.386 -0.669 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.256 5.655 -0.859 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.483 4.070 -1.636 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.586 8.240 -5.758 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.466 8.860 -6.741 1.00 0.57 C ATOM 2542 C LEU A 166 -11.762 9.030 -8.077 1.00 0.61 C ATOM 2543 O LEU A 166 -12.363 8.832 -9.127 1.00 0.70 O ATOM 2544 CB LEU A 166 -12.953 10.220 -6.239 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.486 11.150 -7.323 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.957 11.460 -7.097 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -12.656 12.425 -7.370 1.00 1.38 C ATOM 0 H LEU A 166 -11.361 8.837 -4.962 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.323 8.201 -6.882 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.738 10.059 -5.501 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.130 10.718 -5.726 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.401 10.648 -8.287 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.314 12.125 -7.883 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.531 10.534 -7.117 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.082 11.944 -6.128 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.044 13.083 -8.147 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.711 12.930 -6.406 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.618 12.176 -7.591 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.499 9.417 -8.027 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.673 9.489 -9.226 1.00 0.64 C ATOM 2561 C LEU A 167 -9.745 8.167 -9.974 1.00 0.66 C ATOM 2562 O LEU A 167 -9.890 8.127 -11.198 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.223 9.790 -8.848 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.301 10.154 -10.012 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.743 11.455 -10.660 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.862 10.257 -9.532 1.00 1.51 C ATOM 0 H LEU A 167 -10.020 9.687 -7.168 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.044 10.289 -9.867 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.216 10.611 -8.131 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.810 8.919 -8.339 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.361 9.364 -10.761 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -7.074 11.696 -11.486 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.760 11.347 -11.037 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.713 12.257 -9.923 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -5.216 10.517 -10.371 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -5.789 11.028 -8.765 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.548 9.300 -9.115 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.662 7.092 -9.208 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.791 5.748 -9.734 1.00 0.69 C ATOM 2580 C VAL A 168 -11.228 5.478 -10.187 1.00 0.77 C ATOM 2581 O VAL A 168 -11.451 4.865 -11.228 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.372 4.706 -8.680 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.519 3.304 -9.227 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.941 4.953 -8.219 1.00 0.66 C ATOM 0 H VAL A 168 -9.503 7.130 -8.201 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.129 5.662 -10.595 1.00 0.69 H new ATOM 0 HB VAL A 168 -10.032 4.809 -7.819 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -9.218 2.583 -8.467 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.559 3.128 -9.502 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.886 3.189 -10.107 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.665 4.206 -7.475 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.266 4.882 -9.072 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.867 5.948 -7.780 1.00 0.66 H new