USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 166 LYS NZ :NH3+ -129:sc= 0.00802 (180deg=0) USER MOD Set 1.2: A 167 TYR OH : rot 180:sc= 0.00737 USER MOD Set 2.1: A 124 TYR OH : rot 66:sc= 1.11 USER MOD Set 2.2: A 128 TYR OH : rot 30:sc= 0.954 USER MOD Set 2.3: A 165 GLN : amide:sc= -0.587 K(o=0.59,f=1.8) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -0.885 K(o=0.59,f=-2.4!) USER MOD Set 3.1: A 119 HIS : no HE2:sc= -1.75 K(o=-2.4,f=-3.3) USER MOD Set 3.2: A 120 HIS : no HE2:sc= -0.631 K(o=-2.4,f=-9.9!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.06) USER MOD Single : A 127 GLN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 142:sc= -0.578 (180deg=-1.13) USER MOD Single : A 152 THR OG1 : rot 175:sc= -2.94! USER MOD Single : A 156 HIS : no HD1:sc= -0.705 K(o=-0.71,f=-0.14) USER MOD Single : A 158 SER OG : rot 180:sc= -1.27 USER MOD Single : A 161 LYS NZ :NH3+ -164:sc= -0.0502 (180deg=-0.287) USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 173 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 174 ASN : amide:sc= -1.3! C(o=-1.3!,f=-5.6!) USER MOD Single : A 175 CYS SG : rot -38:sc= 0.984 USER MOD Single : A 179 LYS NZ :NH3+ -165:sc= -0.13 (180deg=-0.444) USER MOD Single : A 182 SER OG : rot 86:sc= 1.14 USER MOD Single : A 183 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.051) USER MOD Single : A 184 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.2) USER MOD Single : A 186 MET CE :methyl -164:sc= -0.0975 (180deg=-0.574) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.713 -13.550 5.174 1.00 22.30 N ATOM 137 CA VAL A 104 20.433 -13.721 4.495 1.00 62.45 C ATOM 138 C VAL A 104 20.654 -14.073 3.024 1.00 71.22 C ATOM 139 O VAL A 104 21.691 -13.734 2.458 1.00 53.02 O ATOM 140 CB VAL A 104 19.582 -12.431 4.591 1.00 73.32 C ATOM 141 CG1 VAL A 104 18.104 -12.739 4.432 1.00 60.11 C ATOM 142 CG2 VAL A 104 19.836 -11.707 5.905 1.00 0.13 C ATOM 0 HA VAL A 104 19.899 -14.535 4.986 1.00 62.45 H new ATOM 0 HB VAL A 104 19.883 -11.775 3.775 1.00 73.32 H new ATOM 0 HG11 VAL A 104 17.530 -11.815 4.504 1.00 60.11 H new ATOM 0 HG12 VAL A 104 17.931 -13.199 3.459 1.00 60.11 H new ATOM 0 HG13 VAL A 104 17.788 -13.424 5.219 1.00 60.11 H new ATOM 0 HG21 VAL A 104 19.226 -10.805 5.947 1.00 0.13 H new ATOM 0 HG22 VAL A 104 19.575 -12.361 6.737 1.00 0.13 H new ATOM 0 HG23 VAL A 104 20.890 -11.436 5.974 1.00 0.13 H new ATOM 152 N LYS A 105 19.693 -14.767 2.416 1.00 34.52 N ATOM 153 CA LYS A 105 19.783 -15.133 1.001 1.00 14.44 C ATOM 154 C LYS A 105 18.645 -14.513 0.193 1.00 25.44 C ATOM 155 O LYS A 105 18.460 -14.828 -0.982 1.00 2.25 O ATOM 156 CB LYS A 105 19.768 -16.655 0.838 1.00 53.21 C ATOM 157 CG LYS A 105 21.097 -17.317 1.171 1.00 45.14 C ATOM 158 CD LYS A 105 20.907 -18.554 2.036 1.00 0.30 C ATOM 159 CE LYS A 105 20.275 -18.201 3.373 1.00 62.01 C ATOM 160 NZ LYS A 105 20.158 -19.382 4.268 1.00 62.02 N ATOM 0 H LYS A 105 18.843 -15.088 2.880 1.00 34.52 H new ATOM 0 HA LYS A 105 20.726 -14.742 0.619 1.00 14.44 H new ATOM 0 HB2 LYS A 105 18.993 -17.073 1.480 1.00 53.21 H new ATOM 0 HB3 LYS A 105 19.497 -16.899 -0.189 1.00 53.21 H new ATOM 0 HG2 LYS A 105 21.608 -17.593 0.248 1.00 45.14 H new ATOM 0 HG3 LYS A 105 21.739 -16.605 1.690 1.00 45.14 H new ATOM 0 HD2 LYS A 105 20.277 -19.273 1.512 1.00 0.30 H new ATOM 0 HD3 LYS A 105 21.871 -19.035 2.203 1.00 0.30 H new ATOM 0 HE2 LYS A 105 20.873 -17.433 3.864 1.00 62.01 H new ATOM 0 HE3 LYS A 105 19.286 -17.776 3.204 1.00 62.01 H new ATOM 0 HZ1 LYS A 105 19.722 -19.094 5.167 1.00 62.02 H new ATOM 0 HZ2 LYS A 105 19.566 -20.106 3.812 1.00 62.02 H new ATOM 0 HZ3 LYS A 105 21.104 -19.774 4.452 1.00 62.02 H new ATOM 174 N LYS A 106 17.893 -13.624 0.821 1.00 32.10 N ATOM 175 CA LYS A 106 16.813 -12.922 0.144 1.00 70.51 C ATOM 176 C LYS A 106 16.669 -11.516 0.709 1.00 34.10 C ATOM 177 O LYS A 106 16.767 -11.308 1.918 1.00 72.14 O ATOM 178 CB LYS A 106 15.491 -13.694 0.263 1.00 33.45 C ATOM 179 CG LYS A 106 14.305 -12.970 -0.366 1.00 62.32 C ATOM 180 CD LYS A 106 13.211 -13.933 -0.804 1.00 53.23 C ATOM 181 CE LYS A 106 12.591 -14.680 0.363 1.00 3.34 C ATOM 182 NZ LYS A 106 11.676 -15.752 -0.101 1.00 25.42 N ATOM 0 H LYS A 106 18.011 -13.370 1.802 1.00 32.10 H new ATOM 0 HA LYS A 106 17.060 -12.851 -0.915 1.00 70.51 H new ATOM 0 HB2 LYS A 106 15.605 -14.669 -0.211 1.00 33.45 H new ATOM 0 HB3 LYS A 106 15.279 -13.875 1.317 1.00 33.45 H new ATOM 0 HG2 LYS A 106 13.895 -12.258 0.350 1.00 62.32 H new ATOM 0 HG3 LYS A 106 14.647 -12.395 -1.227 1.00 62.32 H new ATOM 0 HD2 LYS A 106 12.434 -13.379 -1.331 1.00 53.23 H new ATOM 0 HD3 LYS A 106 13.626 -14.651 -1.511 1.00 53.23 H new ATOM 0 HE2 LYS A 106 13.379 -15.114 0.978 1.00 3.34 H new ATOM 0 HE3 LYS A 106 12.043 -13.980 0.994 1.00 3.34 H new ATOM 0 HZ1 LYS A 106 11.296 -16.264 0.721 1.00 25.42 H new ATOM 0 HZ2 LYS A 106 10.892 -15.331 -0.639 1.00 25.42 H new ATOM 0 HZ3 LYS A 106 12.198 -16.414 -0.710 1.00 25.42 H new ATOM 196 N ILE A 107 16.454 -10.553 -0.170 1.00 40.42 N ATOM 197 CA ILE A 107 16.342 -9.164 0.236 1.00 25.24 C ATOM 198 C ILE A 107 14.907 -8.664 0.102 1.00 54.21 C ATOM 199 O ILE A 107 14.089 -9.265 -0.598 1.00 22.22 O ATOM 200 CB ILE A 107 17.250 -8.253 -0.600 1.00 0.03 C ATOM 201 CG1 ILE A 107 16.771 -8.215 -2.040 1.00 44.43 C ATOM 202 CG2 ILE A 107 18.692 -8.729 -0.542 1.00 60.20 C ATOM 203 CD1 ILE A 107 17.134 -6.936 -2.729 1.00 62.24 C ATOM 0 H ILE A 107 16.353 -10.709 -1.173 1.00 40.42 H new ATOM 0 HA ILE A 107 16.653 -9.124 1.280 1.00 25.24 H new ATOM 0 HB ILE A 107 17.203 -7.247 -0.183 1.00 0.03 H new ATOM 0 HG12 ILE A 107 17.203 -9.054 -2.586 1.00 44.43 H new ATOM 0 HG13 ILE A 107 15.689 -8.343 -2.064 1.00 44.43 H new ATOM 0 HG21 ILE A 107 19.318 -8.068 -1.142 1.00 60.20 H new ATOM 0 HG22 ILE A 107 19.038 -8.717 0.492 1.00 60.20 H new ATOM 0 HG23 ILE A 107 18.756 -9.744 -0.934 1.00 60.20 H new ATOM 0 HD11 ILE A 107 16.769 -6.959 -3.756 1.00 62.24 H new ATOM 0 HD12 ILE A 107 16.680 -6.097 -2.201 1.00 62.24 H new ATOM 0 HD13 ILE A 107 18.218 -6.819 -2.732 1.00 62.24 H new ATOM 215 N PHE A 108 14.619 -7.558 0.769 1.00 54.21 N ATOM 216 CA PHE A 108 13.311 -6.928 0.695 1.00 42.41 C ATOM 217 C PHE A 108 13.406 -5.630 -0.085 1.00 24.14 C ATOM 218 O PHE A 108 14.161 -4.734 0.288 1.00 52.33 O ATOM 219 CB PHE A 108 12.762 -6.645 2.098 1.00 24.22 C ATOM 220 CG PHE A 108 11.529 -5.781 2.095 1.00 52.21 C ATOM 221 CD1 PHE A 108 10.326 -6.265 1.604 1.00 53.44 C ATOM 222 CD2 PHE A 108 11.577 -4.483 2.578 1.00 20.31 C ATOM 223 CE1 PHE A 108 9.196 -5.469 1.596 1.00 1.45 C ATOM 224 CE2 PHE A 108 10.451 -3.684 2.572 1.00 4.42 C ATOM 225 CZ PHE A 108 9.258 -4.178 2.081 1.00 40.23 C ATOM 0 H PHE A 108 15.282 -7.074 1.374 1.00 54.21 H new ATOM 0 HA PHE A 108 12.631 -7.611 0.186 1.00 42.41 H new ATOM 0 HB2 PHE A 108 12.532 -7.591 2.588 1.00 24.22 H new ATOM 0 HB3 PHE A 108 13.536 -6.159 2.692 1.00 24.22 H new ATOM 0 HD1 PHE A 108 10.271 -7.274 1.224 1.00 53.44 H new ATOM 0 HD2 PHE A 108 12.507 -4.092 2.964 1.00 20.31 H new ATOM 0 HE1 PHE A 108 8.265 -5.857 1.210 1.00 1.45 H new ATOM 0 HE2 PHE A 108 10.503 -2.674 2.951 1.00 4.42 H new ATOM 0 HZ PHE A 108 8.376 -3.555 2.077 1.00 40.23 H new ATOM 235 N VAL A 109 12.649 -5.534 -1.163 1.00 45.24 N ATOM 236 CA VAL A 109 12.638 -4.327 -1.968 1.00 34.14 C ATOM 237 C VAL A 109 11.358 -3.531 -1.729 1.00 10.32 C ATOM 238 O VAL A 109 10.281 -3.907 -2.199 1.00 53.53 O ATOM 239 CB VAL A 109 12.771 -4.649 -3.468 1.00 51.15 C ATOM 240 CG1 VAL A 109 12.931 -3.374 -4.278 1.00 34.32 C ATOM 241 CG2 VAL A 109 13.940 -5.589 -3.714 1.00 54.41 C ATOM 0 H VAL A 109 12.035 -6.276 -1.500 1.00 45.24 H new ATOM 0 HA VAL A 109 13.497 -3.728 -1.665 1.00 34.14 H new ATOM 0 HB VAL A 109 11.857 -5.148 -3.791 1.00 51.15 H new ATOM 0 HG11 VAL A 109 13.023 -3.624 -5.335 1.00 34.32 H new ATOM 0 HG12 VAL A 109 12.059 -2.737 -4.130 1.00 34.32 H new ATOM 0 HG13 VAL A 109 13.826 -2.845 -3.951 1.00 34.32 H new ATOM 0 HG21 VAL A 109 14.016 -5.804 -4.780 1.00 54.41 H new ATOM 0 HG22 VAL A 109 14.862 -5.120 -3.371 1.00 54.41 H new ATOM 0 HG23 VAL A 109 13.781 -6.518 -3.167 1.00 54.41 H new ATOM 251 N GLY A 110 11.480 -2.444 -0.981 1.00 2.33 N ATOM 252 CA GLY A 110 10.346 -1.584 -0.713 1.00 3.41 C ATOM 253 C GLY A 110 10.607 -0.168 -1.179 1.00 62.54 C ATOM 254 O GLY A 110 11.683 0.129 -1.698 1.00 63.15 O ATOM 0 H GLY A 110 12.354 -2.140 -0.551 1.00 2.33 H new ATOM 0 HA2 GLY A 110 9.462 -1.977 -1.215 1.00 3.41 H new ATOM 0 HA3 GLY A 110 10.132 -1.584 0.356 1.00 3.41 H new ATOM 347 N GLU A 117 9.227 -4.710 -11.166 1.00 35.03 N ATOM 348 CA GLU A 117 8.968 -6.138 -11.107 1.00 15.11 C ATOM 349 C GLU A 117 10.257 -6.949 -11.189 1.00 43.13 C ATOM 350 O GLU A 117 11.354 -6.408 -11.039 1.00 1.13 O ATOM 351 CB GLU A 117 8.010 -6.535 -12.229 1.00 42.35 C ATOM 352 CG GLU A 117 8.600 -6.502 -13.624 1.00 70.04 C ATOM 353 CD GLU A 117 7.533 -6.728 -14.669 1.00 44.04 C ATOM 354 OE1 GLU A 117 7.606 -7.740 -15.390 1.00 60.54 O ATOM 355 OE2 GLU A 117 6.590 -5.914 -14.739 1.00 35.42 O ATOM 0 HA GLU A 117 8.508 -6.360 -10.144 1.00 15.11 H new ATOM 0 HB2 GLU A 117 7.642 -7.542 -12.031 1.00 42.35 H new ATOM 0 HB3 GLU A 117 7.147 -5.869 -12.201 1.00 42.35 H new ATOM 0 HG2 GLU A 117 9.084 -5.540 -13.795 1.00 70.04 H new ATOM 0 HG3 GLU A 117 9.371 -7.267 -13.715 1.00 70.04 H new ATOM 362 N GLU A 118 10.097 -8.248 -11.435 1.00 24.15 N ATOM 363 CA GLU A 118 11.201 -9.200 -11.463 1.00 12.31 C ATOM 364 C GLU A 118 12.334 -8.745 -12.373 1.00 61.42 C ATOM 365 O GLU A 118 13.477 -8.616 -11.929 1.00 63.13 O ATOM 366 CB GLU A 118 10.685 -10.570 -11.911 1.00 3.33 C ATOM 367 CG GLU A 118 11.778 -11.552 -12.302 1.00 1.55 C ATOM 368 CD GLU A 118 11.225 -12.827 -12.893 1.00 24.31 C ATOM 369 OE1 GLU A 118 11.205 -12.948 -14.133 1.00 44.20 O ATOM 370 OE2 GLU A 118 10.810 -13.714 -12.124 1.00 23.35 O ATOM 0 H GLU A 118 9.188 -8.671 -11.622 1.00 24.15 H new ATOM 0 HA GLU A 118 11.607 -9.266 -10.454 1.00 12.31 H new ATOM 0 HB2 GLU A 118 10.094 -11.004 -11.105 1.00 3.33 H new ATOM 0 HB3 GLU A 118 10.015 -10.433 -12.760 1.00 3.33 H new ATOM 0 HG2 GLU A 118 12.445 -11.080 -13.024 1.00 1.55 H new ATOM 0 HG3 GLU A 118 12.377 -11.792 -11.424 1.00 1.55 H new ATOM 377 N HIS A 119 12.012 -8.497 -13.634 1.00 63.24 N ATOM 378 CA HIS A 119 13.024 -8.164 -14.623 1.00 45.31 C ATOM 379 C HIS A 119 13.752 -6.870 -14.251 1.00 22.33 C ATOM 380 O HIS A 119 14.933 -6.712 -14.550 1.00 60.34 O ATOM 381 CB HIS A 119 12.400 -8.073 -16.027 1.00 1.35 C ATOM 382 CG HIS A 119 11.912 -6.713 -16.419 1.00 54.34 C ATOM 383 ND1 HIS A 119 12.665 -5.909 -17.237 1.00 55.23 N ATOM 384 CD2 HIS A 119 10.772 -6.062 -16.084 1.00 43.11 C ATOM 385 CE1 HIS A 119 11.977 -4.795 -17.383 1.00 65.33 C ATOM 386 NE2 HIS A 119 10.822 -4.840 -16.706 1.00 33.41 N ATOM 0 H HIS A 119 11.058 -8.520 -13.995 1.00 63.24 H new ATOM 0 HA HIS A 119 13.765 -8.963 -14.636 1.00 45.31 H new ATOM 0 HB2 HIS A 119 13.139 -8.401 -16.758 1.00 1.35 H new ATOM 0 HB3 HIS A 119 11.565 -8.771 -16.082 1.00 1.35 H new ATOM 0 HD1 HIS A 119 13.572 -6.129 -17.648 1.00 55.23 H new ATOM 0 HD2 HIS A 119 9.979 -6.432 -15.451 1.00 43.11 H new ATOM 0 HE1 HIS A 119 12.303 -3.952 -17.974 1.00 65.33 H new ATOM 394 N HIS A 120 13.045 -5.962 -13.583 1.00 62.12 N ATOM 395 CA HIS A 120 13.639 -4.707 -13.134 1.00 2.21 C ATOM 396 C HIS A 120 14.673 -4.977 -12.050 1.00 33.45 C ATOM 397 O HIS A 120 15.853 -4.648 -12.195 1.00 65.21 O ATOM 398 CB HIS A 120 12.573 -3.765 -12.566 1.00 33.24 C ATOM 399 CG HIS A 120 11.608 -3.236 -13.572 1.00 25.30 C ATOM 400 ND1 HIS A 120 10.277 -3.552 -13.507 1.00 62.42 N ATOM 401 CD2 HIS A 120 11.813 -2.397 -14.612 1.00 64.42 C ATOM 402 CE1 HIS A 120 9.700 -2.900 -14.497 1.00 33.54 C ATOM 403 NE2 HIS A 120 10.592 -2.187 -15.196 1.00 43.24 N ATOM 0 H HIS A 120 12.060 -6.072 -13.341 1.00 62.12 H new ATOM 0 HA HIS A 120 14.111 -4.237 -13.997 1.00 2.21 H new ATOM 0 HB2 HIS A 120 12.016 -4.293 -11.792 1.00 33.24 H new ATOM 0 HB3 HIS A 120 13.071 -2.924 -12.083 1.00 33.24 H new ATOM 0 HD1 HIS A 120 9.824 -4.167 -12.830 1.00 62.42 H new ATOM 0 HD2 HIS A 120 12.757 -1.974 -14.922 1.00 64.42 H new ATOM 0 HE1 HIS A 120 8.643 -2.936 -14.716 1.00 33.54 H new ATOM 411 N LEU A 121 14.206 -5.589 -10.966 1.00 2.21 N ATOM 412 CA LEU A 121 15.042 -5.870 -9.807 1.00 24.10 C ATOM 413 C LEU A 121 16.252 -6.708 -10.198 1.00 31.01 C ATOM 414 O LEU A 121 17.389 -6.370 -9.870 1.00 62.32 O ATOM 415 CB LEU A 121 14.228 -6.601 -8.734 1.00 21.40 C ATOM 416 CG LEU A 121 12.948 -5.890 -8.286 1.00 15.22 C ATOM 417 CD1 LEU A 121 12.234 -6.698 -7.217 1.00 73.42 C ATOM 418 CD2 LEU A 121 13.257 -4.493 -7.778 1.00 64.42 C ATOM 0 H LEU A 121 13.240 -5.903 -10.868 1.00 2.21 H new ATOM 0 HA LEU A 121 15.396 -4.920 -9.406 1.00 24.10 H new ATOM 0 HB2 LEU A 121 13.962 -7.588 -9.113 1.00 21.40 H new ATOM 0 HB3 LEU A 121 14.863 -6.755 -7.862 1.00 21.40 H new ATOM 0 HG LEU A 121 12.289 -5.802 -9.150 1.00 15.22 H new ATOM 0 HD11 LEU A 121 11.327 -6.176 -6.912 1.00 73.42 H new ATOM 0 HD12 LEU A 121 11.972 -7.678 -7.616 1.00 73.42 H new ATOM 0 HD13 LEU A 121 12.890 -6.821 -6.355 1.00 73.42 H new ATOM 0 HD21 LEU A 121 12.333 -4.007 -7.465 1.00 64.42 H new ATOM 0 HD22 LEU A 121 13.939 -4.557 -6.930 1.00 64.42 H new ATOM 0 HD23 LEU A 121 13.722 -3.911 -8.574 1.00 64.42 H new ATOM 430 N ARG A 122 16.000 -7.789 -10.924 1.00 62.31 N ATOM 431 CA ARG A 122 17.055 -8.708 -11.323 1.00 74.43 C ATOM 432 C ARG A 122 18.088 -8.018 -12.210 1.00 30.24 C ATOM 433 O ARG A 122 19.281 -8.264 -12.074 1.00 40.12 O ATOM 434 CB ARG A 122 16.457 -9.927 -12.027 1.00 45.33 C ATOM 435 CG ARG A 122 17.488 -10.808 -12.714 1.00 20.05 C ATOM 436 CD ARG A 122 17.265 -12.277 -12.405 1.00 1.34 C ATOM 437 NE ARG A 122 15.929 -12.725 -12.789 1.00 43.03 N ATOM 438 CZ ARG A 122 15.529 -13.994 -12.752 1.00 41.42 C ATOM 439 NH1 ARG A 122 16.380 -14.953 -12.403 1.00 44.50 N ATOM 440 NH2 ARG A 122 14.285 -14.305 -13.090 1.00 20.20 N ATOM 0 H ARG A 122 15.069 -8.051 -11.249 1.00 62.31 H new ATOM 0 HA ARG A 122 17.570 -9.044 -10.423 1.00 74.43 H new ATOM 0 HB2 ARG A 122 15.911 -10.525 -11.297 1.00 45.33 H new ATOM 0 HB3 ARG A 122 15.732 -9.588 -12.767 1.00 45.33 H new ATOM 0 HG2 ARG A 122 17.441 -10.651 -13.792 1.00 20.05 H new ATOM 0 HG3 ARG A 122 18.488 -10.516 -12.393 1.00 20.05 H new ATOM 0 HD2 ARG A 122 18.011 -12.874 -12.929 1.00 1.34 H new ATOM 0 HD3 ARG A 122 17.411 -12.448 -11.339 1.00 1.34 H new ATOM 0 HE ARG A 122 15.261 -12.022 -13.105 1.00 43.03 H new ATOM 0 HH11 ARG A 122 17.343 -14.718 -12.162 1.00 44.50 H new ATOM 0 HH12 ARG A 122 16.070 -15.924 -12.376 1.00 44.50 H new ATOM 0 HH21 ARG A 122 13.636 -13.572 -13.378 1.00 20.20 H new ATOM 0 HH22 ARG A 122 13.977 -15.277 -13.062 1.00 20.20 H new ATOM 454 N ASP A 123 17.628 -7.131 -13.083 1.00 42.32 N ATOM 455 CA ASP A 123 18.515 -6.403 -13.992 1.00 62.43 C ATOM 456 C ASP A 123 19.532 -5.575 -13.212 1.00 44.40 C ATOM 457 O ASP A 123 20.653 -5.354 -13.669 1.00 64.30 O ATOM 458 CB ASP A 123 17.688 -5.495 -14.910 1.00 22.41 C ATOM 459 CG ASP A 123 18.533 -4.646 -15.840 1.00 10.43 C ATOM 460 OD1 ASP A 123 19.188 -5.212 -16.738 1.00 30.04 O ATOM 461 OD2 ASP A 123 18.521 -3.403 -15.697 1.00 55.35 O ATOM 0 H ASP A 123 16.641 -6.895 -13.184 1.00 42.32 H new ATOM 0 HA ASP A 123 19.059 -7.127 -14.598 1.00 62.43 H new ATOM 0 HB2 ASP A 123 17.013 -6.111 -15.505 1.00 22.41 H new ATOM 0 HB3 ASP A 123 17.067 -4.841 -14.298 1.00 22.41 H new ATOM 466 N TYR A 124 19.140 -5.141 -12.025 1.00 13.23 N ATOM 467 CA TYR A 124 20.016 -4.343 -11.183 1.00 64.00 C ATOM 468 C TYR A 124 20.831 -5.219 -10.226 1.00 33.04 C ATOM 469 O TYR A 124 22.044 -5.056 -10.107 1.00 11.55 O ATOM 470 CB TYR A 124 19.195 -3.318 -10.395 1.00 30.32 C ATOM 471 CG TYR A 124 20.019 -2.441 -9.479 1.00 21.32 C ATOM 472 CD1 TYR A 124 19.961 -2.602 -8.102 1.00 2.15 C ATOM 473 CD2 TYR A 124 20.855 -1.455 -9.990 1.00 45.13 C ATOM 474 CE1 TYR A 124 20.710 -1.807 -7.258 1.00 22.20 C ATOM 475 CE2 TYR A 124 21.609 -0.655 -9.151 1.00 12.54 C ATOM 476 CZ TYR A 124 21.531 -0.836 -7.786 1.00 72.34 C ATOM 477 OH TYR A 124 22.280 -0.047 -6.944 1.00 61.35 O ATOM 0 H TYR A 124 18.221 -5.328 -11.623 1.00 13.23 H new ATOM 0 HA TYR A 124 20.719 -3.820 -11.832 1.00 64.00 H new ATOM 0 HB2 TYR A 124 18.654 -2.684 -11.098 1.00 30.32 H new ATOM 0 HB3 TYR A 124 18.448 -3.845 -9.801 1.00 30.32 H new ATOM 0 HD1 TYR A 124 19.319 -3.363 -7.683 1.00 2.15 H new ATOM 0 HD2 TYR A 124 20.917 -1.311 -11.059 1.00 45.13 H new ATOM 0 HE1 TYR A 124 20.652 -1.946 -6.189 1.00 22.20 H new ATOM 0 HE2 TYR A 124 22.255 0.107 -9.562 1.00 12.54 H new ATOM 0 HH TYR A 124 22.950 -0.598 -6.489 1.00 61.35 H new ATOM 487 N PHE A 125 20.175 -6.159 -9.560 1.00 54.41 N ATOM 488 CA PHE A 125 20.829 -6.938 -8.508 1.00 2.13 C ATOM 489 C PHE A 125 21.747 -8.026 -9.067 1.00 13.13 C ATOM 490 O PHE A 125 22.570 -8.581 -8.335 1.00 53.35 O ATOM 491 CB PHE A 125 19.790 -7.555 -7.569 1.00 40.21 C ATOM 492 CG PHE A 125 18.996 -6.532 -6.804 1.00 52.31 C ATOM 493 CD1 PHE A 125 17.614 -6.524 -6.859 1.00 50.45 C ATOM 494 CD2 PHE A 125 19.637 -5.571 -6.040 1.00 55.51 C ATOM 495 CE1 PHE A 125 16.884 -5.577 -6.168 1.00 31.21 C ATOM 496 CE2 PHE A 125 18.913 -4.622 -5.344 1.00 32.41 C ATOM 497 CZ PHE A 125 17.533 -4.624 -5.409 1.00 24.23 C ATOM 0 H PHE A 125 19.198 -6.402 -9.724 1.00 54.41 H new ATOM 0 HA PHE A 125 21.455 -6.244 -7.947 1.00 2.13 H new ATOM 0 HB2 PHE A 125 19.107 -8.174 -8.151 1.00 40.21 H new ATOM 0 HB3 PHE A 125 20.295 -8.215 -6.863 1.00 40.21 H new ATOM 0 HD1 PHE A 125 17.099 -7.267 -7.450 1.00 50.45 H new ATOM 0 HD2 PHE A 125 20.716 -5.563 -5.988 1.00 55.51 H new ATOM 0 HE1 PHE A 125 15.805 -5.582 -6.221 1.00 31.21 H new ATOM 0 HE2 PHE A 125 19.425 -3.880 -4.750 1.00 32.41 H new ATOM 0 HZ PHE A 125 16.964 -3.883 -4.868 1.00 24.23 H new ATOM 507 N GLU A 126 21.625 -8.322 -10.358 1.00 24.11 N ATOM 508 CA GLU A 126 22.456 -9.352 -10.984 1.00 63.41 C ATOM 509 C GLU A 126 23.929 -8.945 -10.974 1.00 43.34 C ATOM 510 O GLU A 126 24.822 -9.787 -11.065 1.00 33.23 O ATOM 511 CB GLU A 126 21.971 -9.642 -12.412 1.00 64.22 C ATOM 512 CG GLU A 126 22.045 -8.460 -13.371 1.00 0.01 C ATOM 513 CD GLU A 126 23.366 -8.391 -14.114 1.00 21.45 C ATOM 514 OE1 GLU A 126 24.117 -7.417 -13.914 1.00 25.42 O ATOM 515 OE2 GLU A 126 23.660 -9.318 -14.901 1.00 34.53 O ATOM 0 H GLU A 126 20.965 -7.868 -10.989 1.00 24.11 H new ATOM 0 HA GLU A 126 22.362 -10.269 -10.402 1.00 63.41 H new ATOM 0 HB2 GLU A 126 22.564 -10.460 -12.821 1.00 64.22 H new ATOM 0 HB3 GLU A 126 20.939 -9.988 -12.365 1.00 64.22 H new ATOM 0 HG2 GLU A 126 21.231 -8.531 -14.092 1.00 0.01 H new ATOM 0 HG3 GLU A 126 21.898 -7.535 -12.813 1.00 0.01 H new ATOM 522 N GLN A 127 24.166 -7.645 -10.861 1.00 43.51 N ATOM 523 CA GLN A 127 25.520 -7.104 -10.762 1.00 64.45 C ATOM 524 C GLN A 127 26.179 -7.526 -9.453 1.00 4.41 C ATOM 525 O GLN A 127 27.398 -7.685 -9.380 1.00 34.30 O ATOM 526 CB GLN A 127 25.488 -5.578 -10.828 1.00 24.44 C ATOM 527 CG GLN A 127 24.780 -5.029 -12.050 1.00 64.42 C ATOM 528 CD GLN A 127 24.564 -3.535 -11.962 1.00 20.23 C ATOM 529 OE1 GLN A 127 25.380 -2.742 -12.430 1.00 75.34 O ATOM 530 NE2 GLN A 127 23.478 -3.147 -11.320 1.00 32.54 N ATOM 0 H GLN A 127 23.432 -6.937 -10.835 1.00 43.51 H new ATOM 0 HA GLN A 127 26.097 -7.498 -11.599 1.00 64.45 H new ATOM 0 HB2 GLN A 127 24.996 -5.196 -9.933 1.00 24.44 H new ATOM 0 HB3 GLN A 127 26.511 -5.202 -10.814 1.00 24.44 H new ATOM 0 HG2 GLN A 127 25.366 -5.258 -12.940 1.00 64.42 H new ATOM 0 HG3 GLN A 127 23.817 -5.527 -12.165 1.00 64.42 H new ATOM 0 HE21 GLN A 127 22.829 -3.841 -10.949 1.00 32.54 H new ATOM 0 HE22 GLN A 127 23.287 -2.153 -11.195 1.00 32.54 H new ATOM 539 N TYR A 128 25.367 -7.699 -8.420 1.00 21.11 N ATOM 540 CA TYR A 128 25.880 -8.015 -7.095 1.00 53.32 C ATOM 541 C TYR A 128 26.165 -9.505 -6.954 1.00 4.23 C ATOM 542 O TYR A 128 27.070 -9.899 -6.217 1.00 72.12 O ATOM 543 CB TYR A 128 24.903 -7.563 -6.010 1.00 33.34 C ATOM 544 CG TYR A 128 24.655 -6.069 -5.986 1.00 13.30 C ATOM 545 CD1 TYR A 128 25.320 -5.260 -5.078 1.00 62.42 C ATOM 546 CD2 TYR A 128 23.750 -5.470 -6.858 1.00 33.42 C ATOM 547 CE1 TYR A 128 25.097 -3.900 -5.032 1.00 14.12 C ATOM 548 CE2 TYR A 128 23.524 -4.105 -6.824 1.00 74.33 C ATOM 549 CZ TYR A 128 24.199 -3.323 -5.908 1.00 15.15 C ATOM 550 OH TYR A 128 23.967 -1.966 -5.865 1.00 25.04 O ATOM 0 H TYR A 128 24.351 -7.626 -8.474 1.00 21.11 H new ATOM 0 HA TYR A 128 26.817 -7.473 -6.969 1.00 53.32 H new ATOM 0 HB2 TYR A 128 23.952 -8.076 -6.155 1.00 33.34 H new ATOM 0 HB3 TYR A 128 25.287 -7.873 -5.038 1.00 33.34 H new ATOM 0 HD1 TYR A 128 26.027 -5.704 -4.393 1.00 62.42 H new ATOM 0 HD2 TYR A 128 23.216 -6.080 -7.572 1.00 33.42 H new ATOM 0 HE1 TYR A 128 25.623 -3.288 -4.314 1.00 14.12 H new ATOM 0 HE2 TYR A 128 22.823 -3.654 -7.511 1.00 74.33 H new ATOM 0 HH TYR A 128 24.776 -1.505 -5.557 1.00 25.04 H new ATOM 560 N GLY A 129 25.401 -10.336 -7.651 1.00 11.30 N ATOM 561 CA GLY A 129 25.651 -11.763 -7.596 1.00 11.13 C ATOM 562 C GLY A 129 24.594 -12.585 -8.299 1.00 3.22 C ATOM 563 O GLY A 129 23.724 -12.043 -8.985 1.00 62.30 O ATOM 0 H GLY A 129 24.623 -10.053 -8.246 1.00 11.30 H new ATOM 0 HA2 GLY A 129 26.622 -11.972 -8.045 1.00 11.13 H new ATOM 0 HA3 GLY A 129 25.709 -12.074 -6.553 1.00 11.13 H new ATOM 567 N LYS A 130 24.671 -13.899 -8.120 1.00 13.23 N ATOM 568 CA LYS A 130 23.761 -14.822 -8.758 1.00 72.31 C ATOM 569 C LYS A 130 22.398 -14.814 -8.080 1.00 55.13 C ATOM 570 O LYS A 130 22.251 -15.214 -6.921 1.00 65.14 O ATOM 571 CB LYS A 130 24.354 -16.231 -8.746 1.00 51.02 C ATOM 572 CG LYS A 130 23.355 -17.312 -9.107 1.00 74.21 C ATOM 573 CD LYS A 130 24.038 -18.643 -9.341 1.00 52.42 C ATOM 574 CE LYS A 130 23.021 -19.723 -9.639 1.00 63.04 C ATOM 575 NZ LYS A 130 23.660 -21.034 -9.920 1.00 74.14 N ATOM 0 H LYS A 130 25.369 -14.347 -7.527 1.00 13.23 H new ATOM 0 HA LYS A 130 23.620 -14.502 -9.790 1.00 72.31 H new ATOM 0 HB2 LYS A 130 25.189 -16.271 -9.446 1.00 51.02 H new ATOM 0 HB3 LYS A 130 24.758 -16.438 -7.755 1.00 51.02 H new ATOM 0 HG2 LYS A 130 22.622 -17.414 -8.307 1.00 74.21 H new ATOM 0 HG3 LYS A 130 22.809 -17.019 -10.004 1.00 74.21 H new ATOM 0 HD2 LYS A 130 24.738 -18.557 -10.172 1.00 52.42 H new ATOM 0 HD3 LYS A 130 24.620 -18.918 -8.461 1.00 52.42 H new ATOM 0 HE2 LYS A 130 22.343 -19.825 -8.791 1.00 63.04 H new ATOM 0 HE3 LYS A 130 22.417 -19.424 -10.496 1.00 63.04 H new ATOM 0 HZ1 LYS A 130 22.925 -21.743 -10.118 1.00 74.14 H new ATOM 0 HZ2 LYS A 130 24.287 -20.945 -10.745 1.00 74.14 H new ATOM 0 HZ3 LYS A 130 24.216 -21.334 -9.094 1.00 74.14 H new ATOM 589 N ILE A 131 21.408 -14.358 -8.819 1.00 11.14 N ATOM 590 CA ILE A 131 20.049 -14.305 -8.330 1.00 60.14 C ATOM 591 C ILE A 131 19.347 -15.629 -8.596 1.00 4.41 C ATOM 592 O ILE A 131 19.563 -16.263 -9.631 1.00 30.10 O ATOM 593 CB ILE A 131 19.259 -13.170 -9.010 1.00 55.23 C ATOM 594 CG1 ILE A 131 20.041 -11.857 -8.935 1.00 1.51 C ATOM 595 CG2 ILE A 131 17.891 -13.014 -8.365 1.00 75.41 C ATOM 596 CD1 ILE A 131 19.340 -10.699 -9.605 1.00 2.33 C ATOM 0 H ILE A 131 21.524 -14.015 -9.773 1.00 11.14 H new ATOM 0 HA ILE A 131 20.087 -14.114 -7.258 1.00 60.14 H new ATOM 0 HB ILE A 131 19.117 -13.427 -10.060 1.00 55.23 H new ATOM 0 HG12 ILE A 131 20.218 -11.608 -7.889 1.00 1.51 H new ATOM 0 HG13 ILE A 131 21.017 -11.998 -9.399 1.00 1.51 H new ATOM 0 HG21 ILE A 131 17.346 -12.208 -8.857 1.00 75.41 H new ATOM 0 HG22 ILE A 131 17.333 -13.945 -8.467 1.00 75.41 H new ATOM 0 HG23 ILE A 131 18.012 -12.777 -7.308 1.00 75.41 H new ATOM 0 HD11 ILE A 131 19.951 -9.801 -9.513 1.00 2.33 H new ATOM 0 HD12 ILE A 131 19.187 -10.927 -10.660 1.00 2.33 H new ATOM 0 HD13 ILE A 131 18.375 -10.532 -9.126 1.00 2.33 H new ATOM 608 N GLU A 132 18.525 -16.047 -7.658 1.00 12.12 N ATOM 609 CA GLU A 132 17.714 -17.234 -7.825 1.00 43.03 C ATOM 610 C GLU A 132 16.407 -16.887 -8.523 1.00 73.13 C ATOM 611 O GLU A 132 16.237 -17.152 -9.713 1.00 33.01 O ATOM 612 CB GLU A 132 17.458 -17.874 -6.464 1.00 13.53 C ATOM 613 CG GLU A 132 18.612 -18.726 -5.988 1.00 65.44 C ATOM 614 CD GLU A 132 18.665 -20.061 -6.692 1.00 52.44 C ATOM 615 OE1 GLU A 132 18.091 -21.035 -6.164 1.00 60.14 O ATOM 616 OE2 GLU A 132 19.272 -20.143 -7.777 1.00 30.51 O ATOM 0 H GLU A 132 18.400 -15.576 -6.762 1.00 12.12 H new ATOM 0 HA GLU A 132 18.246 -17.951 -8.451 1.00 43.03 H new ATOM 0 HB2 GLU A 132 17.264 -17.091 -5.731 1.00 13.53 H new ATOM 0 HB3 GLU A 132 16.559 -18.488 -6.520 1.00 13.53 H new ATOM 0 HG2 GLU A 132 19.548 -18.192 -6.154 1.00 65.44 H new ATOM 0 HG3 GLU A 132 18.523 -18.887 -4.914 1.00 65.44 H new ATOM 623 N VAL A 133 15.502 -16.260 -7.788 1.00 12.43 N ATOM 624 CA VAL A 133 14.210 -15.864 -8.328 1.00 2.11 C ATOM 625 C VAL A 133 13.781 -14.532 -7.732 1.00 1.12 C ATOM 626 O VAL A 133 14.187 -14.181 -6.622 1.00 0.51 O ATOM 627 CB VAL A 133 13.108 -16.917 -8.049 1.00 32.51 C ATOM 628 CG1 VAL A 133 13.338 -18.184 -8.858 1.00 32.54 C ATOM 629 CG2 VAL A 133 13.030 -17.240 -6.562 1.00 31.42 C ATOM 0 H VAL A 133 15.640 -16.013 -6.808 1.00 12.43 H new ATOM 0 HA VAL A 133 14.331 -15.777 -9.408 1.00 2.11 H new ATOM 0 HB VAL A 133 12.155 -16.488 -8.359 1.00 32.51 H new ATOM 0 HG11 VAL A 133 12.548 -18.903 -8.640 1.00 32.54 H new ATOM 0 HG12 VAL A 133 13.327 -17.944 -9.921 1.00 32.54 H new ATOM 0 HG13 VAL A 133 14.304 -18.614 -8.593 1.00 32.54 H new ATOM 0 HG21 VAL A 133 12.249 -17.981 -6.391 1.00 31.42 H new ATOM 0 HG22 VAL A 133 13.988 -17.637 -6.225 1.00 31.42 H new ATOM 0 HG23 VAL A 133 12.797 -16.333 -6.004 1.00 31.42 H new ATOM 639 N ILE A 134 12.986 -13.786 -8.474 1.00 21.54 N ATOM 640 CA ILE A 134 12.441 -12.541 -7.969 1.00 40.13 C ATOM 641 C ILE A 134 10.989 -12.759 -7.591 1.00 24.53 C ATOM 642 O ILE A 134 10.125 -12.888 -8.460 1.00 12.41 O ATOM 643 CB ILE A 134 12.529 -11.396 -8.993 1.00 23.13 C ATOM 644 CG1 ILE A 134 13.900 -11.366 -9.676 1.00 44.22 C ATOM 645 CG2 ILE A 134 12.259 -10.067 -8.302 1.00 54.41 C ATOM 646 CD1 ILE A 134 15.043 -11.095 -8.736 1.00 12.22 C ATOM 0 H ILE A 134 12.704 -14.019 -9.426 1.00 21.54 H new ATOM 0 HA ILE A 134 13.035 -12.248 -7.103 1.00 40.13 H new ATOM 0 HB ILE A 134 11.775 -11.566 -9.762 1.00 23.13 H new ATOM 0 HG12 ILE A 134 14.069 -12.322 -10.172 1.00 44.22 H new ATOM 0 HG13 ILE A 134 13.892 -10.601 -10.452 1.00 44.22 H new ATOM 0 HG21 ILE A 134 12.322 -9.259 -9.031 1.00 54.41 H new ATOM 0 HG22 ILE A 134 11.262 -10.082 -7.862 1.00 54.41 H new ATOM 0 HG23 ILE A 134 12.999 -9.908 -7.518 1.00 54.41 H new ATOM 0 HD11 ILE A 134 15.979 -11.089 -9.294 1.00 12.22 H new ATOM 0 HD12 ILE A 134 14.899 -10.126 -8.258 1.00 12.22 H new ATOM 0 HD13 ILE A 134 15.079 -11.873 -7.974 1.00 12.22 H new ATOM 658 N GLU A 135 10.731 -12.826 -6.302 1.00 32.21 N ATOM 659 CA GLU A 135 9.409 -13.143 -5.807 1.00 75.33 C ATOM 660 C GLU A 135 8.561 -11.884 -5.728 1.00 41.43 C ATOM 661 O GLU A 135 8.629 -11.129 -4.755 1.00 21.20 O ATOM 662 CB GLU A 135 9.513 -13.822 -4.441 1.00 65.54 C ATOM 663 CG GLU A 135 10.463 -15.011 -4.443 1.00 4.20 C ATOM 664 CD GLU A 135 10.588 -15.683 -3.092 1.00 24.43 C ATOM 665 OE1 GLU A 135 10.070 -15.145 -2.093 1.00 72.12 O ATOM 666 OE2 GLU A 135 11.205 -16.769 -3.022 1.00 73.34 O ATOM 0 H GLU A 135 11.426 -12.664 -5.573 1.00 32.21 H new ATOM 0 HA GLU A 135 8.924 -13.833 -6.497 1.00 75.33 H new ATOM 0 HB2 GLU A 135 9.851 -13.094 -3.704 1.00 65.54 H new ATOM 0 HB3 GLU A 135 8.523 -14.155 -4.130 1.00 65.54 H new ATOM 0 HG2 GLU A 135 10.117 -15.742 -5.174 1.00 4.20 H new ATOM 0 HG3 GLU A 135 11.449 -14.678 -4.768 1.00 4.20 H new ATOM 673 N ILE A 136 7.793 -11.644 -6.778 1.00 10.33 N ATOM 674 CA ILE A 136 6.927 -10.481 -6.840 1.00 64.34 C ATOM 675 C ILE A 136 5.652 -10.748 -6.064 1.00 23.32 C ATOM 676 O ILE A 136 4.915 -11.683 -6.382 1.00 2.40 O ATOM 677 CB ILE A 136 6.540 -10.127 -8.291 1.00 53.11 C ATOM 678 CG1 ILE A 136 7.772 -10.092 -9.195 1.00 53.12 C ATOM 679 CG2 ILE A 136 5.822 -8.785 -8.328 1.00 4.20 C ATOM 680 CD1 ILE A 136 7.430 -9.942 -10.661 1.00 73.33 C ATOM 0 H ILE A 136 7.753 -12.243 -7.602 1.00 10.33 H new ATOM 0 HA ILE A 136 7.480 -9.646 -6.409 1.00 64.34 H new ATOM 0 HB ILE A 136 5.869 -10.901 -8.663 1.00 53.11 H new ATOM 0 HG12 ILE A 136 8.414 -9.265 -8.892 1.00 53.12 H new ATOM 0 HG13 ILE A 136 8.345 -11.009 -9.054 1.00 53.12 H new ATOM 0 HG21 ILE A 136 5.553 -8.544 -9.357 1.00 4.20 H new ATOM 0 HG22 ILE A 136 4.919 -8.839 -7.720 1.00 4.20 H new ATOM 0 HG23 ILE A 136 6.479 -8.010 -7.934 1.00 4.20 H new ATOM 0 HD11 ILE A 136 8.348 -9.924 -11.249 1.00 73.33 H new ATOM 0 HD12 ILE A 136 6.812 -10.782 -10.978 1.00 73.33 H new ATOM 0 HD13 ILE A 136 6.883 -9.012 -10.814 1.00 73.33 H new ATOM 692 N MET A 137 5.390 -9.945 -5.047 1.00 10.15 N ATOM 693 CA MET A 137 4.158 -10.084 -4.301 1.00 75.35 C ATOM 694 C MET A 137 3.001 -9.557 -5.133 1.00 24.50 C ATOM 695 O MET A 137 2.735 -8.350 -5.186 1.00 31.21 O ATOM 696 CB MET A 137 4.239 -9.375 -2.949 1.00 75.42 C ATOM 697 CG MET A 137 2.991 -9.546 -2.095 1.00 14.52 C ATOM 698 SD MET A 137 2.355 -11.239 -2.098 1.00 4.32 S ATOM 699 CE MET A 137 3.818 -12.174 -1.644 1.00 33.12 C ATOM 0 H MET A 137 6.007 -9.200 -4.724 1.00 10.15 H new ATOM 0 HA MET A 137 3.991 -11.141 -4.093 1.00 75.35 H new ATOM 0 HB2 MET A 137 5.100 -9.756 -2.400 1.00 75.42 H new ATOM 0 HB3 MET A 137 4.412 -8.312 -3.116 1.00 75.42 H new ATOM 0 HG2 MET A 137 3.216 -9.251 -1.070 1.00 14.52 H new ATOM 0 HG3 MET A 137 2.215 -8.872 -2.458 1.00 14.52 H new ATOM 0 HE1 MET A 137 3.535 -12.994 -0.984 1.00 33.12 H new ATOM 0 HE2 MET A 137 4.286 -12.576 -2.542 1.00 33.12 H new ATOM 0 HE3 MET A 137 4.522 -11.520 -1.129 1.00 33.12 H new ATOM 859 N PHE A 148 5.638 -4.272 -3.671 1.00 11.32 N ATOM 860 CA PHE A 148 6.923 -4.729 -3.147 1.00 22.52 C ATOM 861 C PHE A 148 7.229 -6.157 -3.591 1.00 32.54 C ATOM 862 O PHE A 148 6.324 -6.927 -3.932 1.00 61.33 O ATOM 863 CB PHE A 148 6.956 -4.635 -1.611 1.00 32.32 C ATOM 864 CG PHE A 148 6.041 -5.600 -0.900 1.00 41.23 C ATOM 865 CD1 PHE A 148 6.497 -6.848 -0.511 1.00 71.14 C ATOM 866 CD2 PHE A 148 4.732 -5.255 -0.614 1.00 34.14 C ATOM 867 CE1 PHE A 148 5.664 -7.733 0.147 1.00 23.13 C ATOM 868 CE2 PHE A 148 3.894 -6.136 0.043 1.00 53.22 C ATOM 869 CZ PHE A 148 4.360 -7.377 0.424 1.00 21.54 C ATOM 0 HA PHE A 148 7.692 -4.072 -3.554 1.00 22.52 H new ATOM 0 HB2 PHE A 148 7.977 -4.808 -1.272 1.00 32.32 H new ATOM 0 HB3 PHE A 148 6.690 -3.620 -1.317 1.00 32.32 H new ATOM 0 HD1 PHE A 148 7.516 -7.134 -0.724 1.00 71.14 H new ATOM 0 HD2 PHE A 148 4.360 -4.285 -0.908 1.00 34.14 H new ATOM 0 HE1 PHE A 148 6.034 -8.703 0.444 1.00 23.13 H new ATOM 0 HE2 PHE A 148 2.874 -5.853 0.258 1.00 53.22 H new ATOM 0 HZ PHE A 148 3.707 -8.067 0.937 1.00 21.54 H new ATOM 879 N ALA A 149 8.505 -6.507 -3.570 1.00 20.12 N ATOM 880 CA ALA A 149 8.940 -7.824 -3.996 1.00 55.40 C ATOM 881 C ALA A 149 10.164 -8.271 -3.208 1.00 25.21 C ATOM 882 O ALA A 149 10.803 -7.469 -2.522 1.00 33.12 O ATOM 883 CB ALA A 149 9.250 -7.818 -5.485 1.00 72.14 C ATOM 0 H ALA A 149 9.259 -5.893 -3.261 1.00 20.12 H new ATOM 0 HA ALA A 149 8.132 -8.530 -3.804 1.00 55.40 H new ATOM 0 HB1 ALA A 149 9.575 -8.812 -5.793 1.00 72.14 H new ATOM 0 HB2 ALA A 149 8.355 -7.540 -6.042 1.00 72.14 H new ATOM 0 HB3 ALA A 149 10.042 -7.097 -5.689 1.00 72.14 H new ATOM 889 N PHE A 150 10.486 -9.549 -3.315 1.00 63.34 N ATOM 890 CA PHE A 150 11.629 -10.112 -2.618 1.00 71.54 C ATOM 891 C PHE A 150 12.580 -10.740 -3.619 1.00 24.15 C ATOM 892 O PHE A 150 12.163 -11.496 -4.491 1.00 10.05 O ATOM 893 CB PHE A 150 11.179 -11.166 -1.607 1.00 0.13 C ATOM 894 CG PHE A 150 10.115 -10.684 -0.670 1.00 25.24 C ATOM 895 CD1 PHE A 150 8.780 -10.932 -0.940 1.00 13.01 C ATOM 896 CD2 PHE A 150 10.447 -9.981 0.475 1.00 64.41 C ATOM 897 CE1 PHE A 150 7.795 -10.486 -0.086 1.00 21.40 C ATOM 898 CE2 PHE A 150 9.464 -9.534 1.334 1.00 65.24 C ATOM 899 CZ PHE A 150 8.138 -9.786 1.053 1.00 73.22 C ATOM 0 H PHE A 150 9.968 -10.220 -3.882 1.00 63.34 H new ATOM 0 HA PHE A 150 12.138 -9.310 -2.083 1.00 71.54 H new ATOM 0 HB2 PHE A 150 10.809 -12.039 -2.145 1.00 0.13 H new ATOM 0 HB3 PHE A 150 12.042 -11.492 -1.026 1.00 0.13 H new ATOM 0 HD1 PHE A 150 8.508 -11.481 -1.829 1.00 13.01 H new ATOM 0 HD2 PHE A 150 11.485 -9.781 0.698 1.00 64.41 H new ATOM 0 HE1 PHE A 150 6.757 -10.684 -0.307 1.00 21.40 H new ATOM 0 HE2 PHE A 150 9.733 -8.987 2.226 1.00 65.24 H new ATOM 0 HZ PHE A 150 7.368 -9.436 1.724 1.00 73.22 H new ATOM 909 N VAL A 151 13.850 -10.420 -3.504 1.00 25.33 N ATOM 910 CA VAL A 151 14.837 -10.945 -4.428 1.00 62.53 C ATOM 911 C VAL A 151 15.653 -12.043 -3.762 1.00 3.21 C ATOM 912 O VAL A 151 16.437 -11.780 -2.849 1.00 73.33 O ATOM 913 CB VAL A 151 15.771 -9.833 -4.946 1.00 53.33 C ATOM 914 CG1 VAL A 151 16.752 -10.382 -5.967 1.00 52.31 C ATOM 915 CG2 VAL A 151 14.959 -8.695 -5.543 1.00 30.45 C ATOM 0 H VAL A 151 14.225 -9.802 -2.784 1.00 25.33 H new ATOM 0 HA VAL A 151 14.304 -11.363 -5.282 1.00 62.53 H new ATOM 0 HB VAL A 151 16.343 -9.446 -4.102 1.00 53.33 H new ATOM 0 HG11 VAL A 151 17.400 -9.579 -6.318 1.00 52.31 H new ATOM 0 HG12 VAL A 151 17.358 -11.162 -5.506 1.00 52.31 H new ATOM 0 HG13 VAL A 151 16.203 -10.800 -6.811 1.00 52.31 H new ATOM 0 HG21 VAL A 151 15.633 -7.918 -5.904 1.00 30.45 H new ATOM 0 HG22 VAL A 151 14.361 -9.071 -6.373 1.00 30.45 H new ATOM 0 HG23 VAL A 151 14.301 -8.279 -4.781 1.00 30.45 H new ATOM 925 N THR A 152 15.435 -13.272 -4.201 1.00 51.42 N ATOM 926 CA THR A 152 16.151 -14.416 -3.667 1.00 24.33 C ATOM 927 C THR A 152 17.452 -14.627 -4.434 1.00 41.24 C ATOM 928 O THR A 152 17.453 -14.666 -5.662 1.00 11.03 O ATOM 929 CB THR A 152 15.293 -15.693 -3.764 1.00 1.10 C ATOM 930 OG1 THR A 152 13.973 -15.433 -3.274 1.00 51.40 O ATOM 931 CG2 THR A 152 15.919 -16.828 -2.967 1.00 35.42 C ATOM 0 H THR A 152 14.762 -13.502 -4.932 1.00 51.42 H new ATOM 0 HA THR A 152 16.372 -14.216 -2.619 1.00 24.33 H new ATOM 0 HB THR A 152 15.241 -15.991 -4.811 1.00 1.10 H new ATOM 0 HG1 THR A 152 13.409 -16.221 -3.419 1.00 51.40 H new ATOM 0 HG21 THR A 152 15.296 -17.718 -3.051 1.00 35.42 H new ATOM 0 HG22 THR A 152 16.913 -17.043 -3.359 1.00 35.42 H new ATOM 0 HG23 THR A 152 15.997 -16.537 -1.919 1.00 35.42 H new ATOM 939 N PHE A 153 18.550 -14.756 -3.709 1.00 31.20 N ATOM 940 CA PHE A 153 19.852 -14.974 -4.318 1.00 73.34 C ATOM 941 C PHE A 153 20.343 -16.380 -3.998 1.00 33.40 C ATOM 942 O PHE A 153 19.992 -16.941 -2.959 1.00 0.50 O ATOM 943 CB PHE A 153 20.856 -13.934 -3.810 1.00 63.42 C ATOM 944 CG PHE A 153 20.500 -12.517 -4.166 1.00 22.20 C ATOM 945 CD1 PHE A 153 20.953 -11.951 -5.346 1.00 11.31 C ATOM 946 CD2 PHE A 153 19.719 -11.750 -3.318 1.00 42.21 C ATOM 947 CE1 PHE A 153 20.631 -10.649 -5.672 1.00 74.10 C ATOM 948 CE2 PHE A 153 19.396 -10.450 -3.639 1.00 43.50 C ATOM 949 CZ PHE A 153 19.852 -9.899 -4.818 1.00 1.12 C ATOM 0 H PHE A 153 18.566 -14.713 -2.690 1.00 31.20 H new ATOM 0 HA PHE A 153 19.760 -14.868 -5.399 1.00 73.34 H new ATOM 0 HB2 PHE A 153 20.933 -14.017 -2.726 1.00 63.42 H new ATOM 0 HB3 PHE A 153 21.840 -14.164 -4.218 1.00 63.42 H new ATOM 0 HD1 PHE A 153 21.565 -12.534 -6.018 1.00 11.31 H new ATOM 0 HD2 PHE A 153 19.359 -12.176 -2.393 1.00 42.21 H new ATOM 0 HE1 PHE A 153 20.989 -10.219 -6.595 1.00 74.10 H new ATOM 0 HE2 PHE A 153 18.786 -9.863 -2.968 1.00 43.50 H new ATOM 0 HZ PHE A 153 19.599 -8.880 -5.072 1.00 1.12 H new ATOM 959 N ASP A 154 21.142 -16.957 -4.891 1.00 11.14 N ATOM 960 CA ASP A 154 21.670 -18.305 -4.672 1.00 23.03 C ATOM 961 C ASP A 154 22.838 -18.261 -3.696 1.00 21.31 C ATOM 962 O ASP A 154 23.274 -19.283 -3.166 1.00 2.15 O ATOM 963 CB ASP A 154 22.104 -18.937 -6.000 1.00 34.23 C ATOM 964 CG ASP A 154 22.623 -20.355 -5.841 1.00 21.41 C ATOM 965 OD1 ASP A 154 21.859 -21.236 -5.381 1.00 54.33 O ATOM 966 OD2 ASP A 154 23.794 -20.603 -6.196 1.00 42.20 O ATOM 0 H ASP A 154 21.437 -16.520 -5.764 1.00 11.14 H new ATOM 0 HA ASP A 154 20.880 -18.921 -4.243 1.00 23.03 H new ATOM 0 HB2 ASP A 154 21.258 -18.941 -6.688 1.00 34.23 H new ATOM 0 HB3 ASP A 154 22.881 -18.320 -6.453 1.00 34.23 H new ATOM 971 N ASP A 155 23.323 -17.058 -3.450 1.00 0.23 N ATOM 972 CA ASP A 155 24.434 -16.844 -2.534 1.00 15.41 C ATOM 973 C ASP A 155 24.079 -15.764 -1.534 1.00 2.33 C ATOM 974 O ASP A 155 23.352 -14.824 -1.852 1.00 73.30 O ATOM 975 CB ASP A 155 25.704 -16.442 -3.290 1.00 75.23 C ATOM 976 CG ASP A 155 26.217 -17.522 -4.218 1.00 73.52 C ATOM 977 OD1 ASP A 155 26.058 -17.377 -5.445 1.00 44.10 O ATOM 978 OD2 ASP A 155 26.786 -18.521 -3.724 1.00 70.14 O ATOM 0 H ASP A 155 22.962 -16.204 -3.876 1.00 0.23 H new ATOM 0 HA ASP A 155 24.625 -17.781 -2.011 1.00 15.41 H new ATOM 0 HB2 ASP A 155 25.504 -15.541 -3.869 1.00 75.23 H new ATOM 0 HB3 ASP A 155 26.483 -16.192 -2.570 1.00 75.23 H new ATOM 983 N HIS A 156 24.602 -15.889 -0.327 1.00 62.31 N ATOM 984 CA HIS A 156 24.323 -14.922 0.719 1.00 30.54 C ATOM 985 C HIS A 156 25.284 -13.743 0.624 1.00 71.43 C ATOM 986 O HIS A 156 25.055 -12.688 1.214 1.00 14.05 O ATOM 987 CB HIS A 156 24.383 -15.576 2.110 1.00 61.54 C ATOM 988 CG HIS A 156 25.693 -16.234 2.458 1.00 12.24 C ATOM 989 ND1 HIS A 156 25.739 -17.515 2.949 1.00 35.24 N ATOM 990 CD2 HIS A 156 26.953 -15.735 2.421 1.00 71.23 C ATOM 991 CE1 HIS A 156 27.013 -17.762 3.204 1.00 15.55 C ATOM 992 NE2 HIS A 156 27.785 -16.714 2.899 1.00 54.32 N ATOM 0 H HIS A 156 25.221 -16.650 -0.047 1.00 62.31 H new ATOM 0 HA HIS A 156 23.309 -14.548 0.576 1.00 30.54 H new ATOM 0 HB2 HIS A 156 24.167 -14.815 2.860 1.00 61.54 H new ATOM 0 HB3 HIS A 156 23.592 -16.323 2.176 1.00 61.54 H new ATOM 0 HD2 HIS A 156 27.246 -14.753 2.080 1.00 71.23 H new ATOM 0 HE1 HIS A 156 27.383 -18.693 3.608 1.00 15.55 H new ATOM 0 HE2 HIS A 156 28.798 -16.654 3.002 1.00 54.32 H new ATOM 1000 N ASP A 157 26.361 -13.927 -0.131 1.00 12.11 N ATOM 1001 CA ASP A 157 27.336 -12.863 -0.338 1.00 33.12 C ATOM 1002 C ASP A 157 26.753 -11.792 -1.238 1.00 43.04 C ATOM 1003 O ASP A 157 26.948 -10.599 -1.009 1.00 1.50 O ATOM 1004 CB ASP A 157 28.629 -13.403 -0.952 1.00 14.02 C ATOM 1005 CG ASP A 157 29.359 -14.360 -0.037 1.00 44.31 C ATOM 1006 OD1 ASP A 157 29.911 -13.905 0.987 1.00 0.53 O ATOM 1007 OD2 ASP A 157 29.393 -15.571 -0.343 1.00 4.15 O ATOM 0 H ASP A 157 26.581 -14.801 -0.609 1.00 12.11 H new ATOM 0 HA ASP A 157 27.574 -12.434 0.635 1.00 33.12 H new ATOM 0 HB2 ASP A 157 28.397 -13.910 -1.889 1.00 14.02 H new ATOM 0 HB3 ASP A 157 29.286 -12.568 -1.195 1.00 14.02 H new ATOM 1012 N SER A 158 26.018 -12.232 -2.252 1.00 2.50 N ATOM 1013 CA SER A 158 25.362 -11.331 -3.186 1.00 70.32 C ATOM 1014 C SER A 158 24.384 -10.427 -2.443 1.00 12.55 C ATOM 1015 O SER A 158 24.222 -9.252 -2.771 1.00 73.01 O ATOM 1016 CB SER A 158 24.622 -12.163 -4.230 1.00 5.10 C ATOM 1017 OG SER A 158 25.218 -13.446 -4.346 1.00 75.42 O ATOM 0 H SER A 158 25.861 -13.221 -2.448 1.00 2.50 H new ATOM 0 HA SER A 158 26.105 -10.702 -3.676 1.00 70.32 H new ATOM 0 HB2 SER A 158 23.574 -12.265 -3.948 1.00 5.10 H new ATOM 0 HB3 SER A 158 24.645 -11.655 -5.194 1.00 5.10 H new ATOM 0 HG SER A 158 24.735 -13.972 -5.017 1.00 75.42 H new ATOM 1023 N VAL A 159 23.761 -10.995 -1.421 1.00 50.21 N ATOM 1024 CA VAL A 159 22.804 -10.282 -0.588 1.00 25.33 C ATOM 1025 C VAL A 159 23.508 -9.238 0.275 1.00 30.21 C ATOM 1026 O VAL A 159 22.986 -8.147 0.500 1.00 33.31 O ATOM 1027 CB VAL A 159 22.059 -11.276 0.330 1.00 2.01 C ATOM 1028 CG1 VAL A 159 20.927 -10.605 1.082 1.00 3.14 C ATOM 1029 CG2 VAL A 159 21.544 -12.457 -0.473 1.00 40.20 C ATOM 0 H VAL A 159 23.905 -11.966 -1.145 1.00 50.21 H new ATOM 0 HA VAL A 159 22.093 -9.780 -1.244 1.00 25.33 H new ATOM 0 HB VAL A 159 22.772 -11.640 1.070 1.00 2.01 H new ATOM 0 HG11 VAL A 159 20.428 -11.337 1.717 1.00 3.14 H new ATOM 0 HG12 VAL A 159 21.327 -9.801 1.700 1.00 3.14 H new ATOM 0 HG13 VAL A 159 20.211 -10.193 0.370 1.00 3.14 H new ATOM 0 HG21 VAL A 159 21.022 -13.147 0.189 1.00 40.20 H new ATOM 0 HG22 VAL A 159 20.858 -12.103 -1.242 1.00 40.20 H new ATOM 0 HG23 VAL A 159 22.382 -12.970 -0.944 1.00 40.20 H new ATOM 1039 N ASP A 160 24.712 -9.573 0.724 1.00 2.45 N ATOM 1040 CA ASP A 160 25.432 -8.755 1.697 1.00 71.31 C ATOM 1041 C ASP A 160 25.789 -7.377 1.144 1.00 13.24 C ATOM 1042 O ASP A 160 25.697 -6.381 1.858 1.00 51.34 O ATOM 1043 CB ASP A 160 26.694 -9.478 2.170 1.00 74.12 C ATOM 1044 CG ASP A 160 27.407 -8.735 3.283 1.00 0.41 C ATOM 1045 OD1 ASP A 160 26.878 -8.692 4.415 1.00 54.51 O ATOM 1046 OD2 ASP A 160 28.514 -8.215 3.039 1.00 55.24 O ATOM 0 H ASP A 160 25.214 -10.410 0.429 1.00 2.45 H new ATOM 0 HA ASP A 160 24.764 -8.601 2.545 1.00 71.31 H new ATOM 0 HB2 ASP A 160 26.428 -10.477 2.517 1.00 74.12 H new ATOM 0 HB3 ASP A 160 27.374 -9.603 1.328 1.00 74.12 H new ATOM 1051 N LYS A 161 26.172 -7.311 -0.130 1.00 73.22 N ATOM 1052 CA LYS A 161 26.513 -6.029 -0.757 1.00 63.20 C ATOM 1053 C LYS A 161 25.279 -5.144 -0.855 1.00 24.02 C ATOM 1054 O LYS A 161 25.375 -3.922 -0.972 1.00 1.24 O ATOM 1055 CB LYS A 161 27.066 -6.224 -2.171 1.00 11.33 C ATOM 1056 CG LYS A 161 28.071 -7.351 -2.311 1.00 12.11 C ATOM 1057 CD LYS A 161 27.552 -8.438 -3.232 1.00 53.51 C ATOM 1058 CE LYS A 161 28.599 -9.514 -3.479 1.00 54.43 C ATOM 1059 NZ LYS A 161 29.816 -8.976 -4.143 1.00 41.12 N ATOM 0 H LYS A 161 26.254 -8.120 -0.746 1.00 73.22 H new ATOM 0 HA LYS A 161 27.273 -5.561 -0.132 1.00 63.20 H new ATOM 0 HB2 LYS A 161 26.233 -6.412 -2.849 1.00 11.33 H new ATOM 0 HB3 LYS A 161 27.536 -5.295 -2.494 1.00 11.33 H new ATOM 0 HG2 LYS A 161 29.010 -6.958 -2.701 1.00 12.11 H new ATOM 0 HG3 LYS A 161 28.286 -7.774 -1.330 1.00 12.11 H new ATOM 0 HD2 LYS A 161 26.661 -8.890 -2.795 1.00 53.51 H new ATOM 0 HD3 LYS A 161 27.252 -7.997 -4.183 1.00 53.51 H new ATOM 0 HE2 LYS A 161 28.878 -9.971 -2.530 1.00 54.43 H new ATOM 0 HE3 LYS A 161 28.168 -10.301 -4.098 1.00 54.43 H new ATOM 0 HZ1 LYS A 161 30.375 -9.762 -4.532 1.00 41.12 H new ATOM 0 HZ2 LYS A 161 29.537 -8.335 -4.913 1.00 41.12 H new ATOM 0 HZ3 LYS A 161 30.389 -8.455 -3.449 1.00 41.12 H new ATOM 1073 N ILE A 162 24.122 -5.780 -0.819 1.00 73.15 N ATOM 1074 CA ILE A 162 22.863 -5.096 -1.020 1.00 4.24 C ATOM 1075 C ILE A 162 22.245 -4.667 0.302 1.00 52.11 C ATOM 1076 O ILE A 162 21.874 -3.509 0.468 1.00 21.44 O ATOM 1077 CB ILE A 162 21.883 -6.007 -1.782 1.00 61.02 C ATOM 1078 CG1 ILE A 162 22.455 -6.335 -3.160 1.00 34.03 C ATOM 1079 CG2 ILE A 162 20.516 -5.353 -1.906 1.00 53.30 C ATOM 1080 CD1 ILE A 162 21.653 -7.359 -3.920 1.00 34.23 C ATOM 0 H ILE A 162 24.031 -6.782 -0.650 1.00 73.15 H new ATOM 0 HA ILE A 162 23.061 -4.200 -1.608 1.00 4.24 H new ATOM 0 HB ILE A 162 21.755 -6.933 -1.221 1.00 61.02 H new ATOM 0 HG12 ILE A 162 22.509 -5.419 -3.749 1.00 34.03 H new ATOM 0 HG13 ILE A 162 23.475 -6.700 -3.043 1.00 34.03 H new ATOM 0 HG21 ILE A 162 19.843 -6.017 -2.448 1.00 53.30 H new ATOM 0 HG22 ILE A 162 20.113 -5.161 -0.912 1.00 53.30 H new ATOM 0 HG23 ILE A 162 20.611 -4.412 -2.447 1.00 53.30 H new ATOM 0 HD11 ILE A 162 22.119 -7.541 -4.888 1.00 34.23 H new ATOM 0 HD12 ILE A 162 21.620 -8.289 -3.353 1.00 34.23 H new ATOM 0 HD13 ILE A 162 20.639 -6.989 -4.070 1.00 34.23 H new ATOM 1092 N VAL A 163 22.169 -5.592 1.248 1.00 72.15 N ATOM 1093 CA VAL A 163 21.466 -5.350 2.505 1.00 30.43 C ATOM 1094 C VAL A 163 22.186 -4.336 3.395 1.00 61.31 C ATOM 1095 O VAL A 163 21.605 -3.832 4.355 1.00 13.31 O ATOM 1096 CB VAL A 163 21.255 -6.655 3.299 1.00 72.13 C ATOM 1097 CG1 VAL A 163 20.402 -7.634 2.513 1.00 55.14 C ATOM 1098 CG2 VAL A 163 22.588 -7.287 3.670 1.00 64.20 C ATOM 0 H VAL A 163 22.586 -6.520 1.171 1.00 72.15 H new ATOM 0 HA VAL A 163 20.498 -4.936 2.225 1.00 30.43 H new ATOM 0 HB VAL A 163 20.728 -6.405 4.220 1.00 72.13 H new ATOM 0 HG11 VAL A 163 20.267 -8.547 3.093 1.00 55.14 H new ATOM 0 HG12 VAL A 163 19.429 -7.187 2.309 1.00 55.14 H new ATOM 0 HG13 VAL A 163 20.896 -7.873 1.571 1.00 55.14 H new ATOM 0 HG21 VAL A 163 22.412 -8.206 4.229 1.00 64.20 H new ATOM 0 HG22 VAL A 163 23.147 -7.516 2.763 1.00 64.20 H new ATOM 0 HG23 VAL A 163 23.161 -6.593 4.284 1.00 64.20 H new ATOM 1108 N ILE A 164 23.447 -4.050 3.091 1.00 72.42 N ATOM 1109 CA ILE A 164 24.193 -3.039 3.836 1.00 72.44 C ATOM 1110 C ILE A 164 23.753 -1.637 3.429 1.00 71.11 C ATOM 1111 O ILE A 164 23.814 -0.696 4.219 1.00 1.11 O ATOM 1112 CB ILE A 164 25.723 -3.193 3.655 1.00 31.12 C ATOM 1113 CG1 ILE A 164 26.108 -3.301 2.172 1.00 25.35 C ATOM 1114 CG2 ILE A 164 26.226 -4.404 4.424 1.00 3.25 C ATOM 1115 CD1 ILE A 164 26.414 -1.978 1.506 1.00 3.21 C ATOM 0 H ILE A 164 23.972 -4.499 2.340 1.00 72.42 H new ATOM 0 HA ILE A 164 23.970 -3.190 4.892 1.00 72.44 H new ATOM 0 HB ILE A 164 26.198 -2.297 4.055 1.00 31.12 H new ATOM 0 HG12 ILE A 164 26.980 -3.949 2.082 1.00 25.35 H new ATOM 0 HG13 ILE A 164 25.294 -3.785 1.633 1.00 25.35 H new ATOM 0 HG21 ILE A 164 27.303 -4.500 4.288 1.00 3.25 H new ATOM 0 HG22 ILE A 164 26.004 -4.280 5.484 1.00 3.25 H new ATOM 0 HG23 ILE A 164 25.732 -5.302 4.053 1.00 3.25 H new ATOM 0 HD11 ILE A 164 26.676 -2.148 0.462 1.00 3.21 H new ATOM 0 HD12 ILE A 164 25.537 -1.332 1.560 1.00 3.21 H new ATOM 0 HD13 ILE A 164 27.249 -1.499 2.016 1.00 3.21 H new ATOM 1127 N GLN A 165 23.284 -1.516 2.198 1.00 50.31 N ATOM 1128 CA GLN A 165 22.807 -0.244 1.680 1.00 4.34 C ATOM 1129 C GLN A 165 21.282 -0.222 1.663 1.00 24.20 C ATOM 1130 O GLN A 165 20.642 -1.239 1.405 1.00 23.41 O ATOM 1131 CB GLN A 165 23.359 -0.010 0.271 1.00 10.21 C ATOM 1132 CG GLN A 165 22.931 1.315 -0.343 1.00 60.34 C ATOM 1133 CD GLN A 165 23.511 1.532 -1.723 1.00 22.22 C ATOM 1134 OE1 GLN A 165 24.589 2.101 -1.874 1.00 1.33 O ATOM 1135 NE2 GLN A 165 22.802 1.078 -2.739 1.00 51.01 N ATOM 0 H GLN A 165 23.223 -2.289 1.535 1.00 50.31 H new ATOM 0 HA GLN A 165 23.159 0.557 2.331 1.00 4.34 H new ATOM 0 HB2 GLN A 165 24.448 -0.049 0.306 1.00 10.21 H new ATOM 0 HB3 GLN A 165 23.032 -0.823 -0.377 1.00 10.21 H new ATOM 0 HG2 GLN A 165 21.843 1.350 -0.401 1.00 60.34 H new ATOM 0 HG3 GLN A 165 23.242 2.131 0.310 1.00 60.34 H new ATOM 0 HE21 GLN A 165 21.911 0.611 -2.571 1.00 51.01 H new ATOM 0 HE22 GLN A 165 23.145 1.194 -3.693 1.00 51.01 H new ATOM 1144 N LYS A 166 20.704 0.935 1.945 1.00 51.34 N ATOM 1145 CA LYS A 166 19.257 1.072 1.985 1.00 44.41 C ATOM 1146 C LYS A 166 18.719 1.501 0.627 1.00 75.11 C ATOM 1147 O LYS A 166 17.982 0.762 -0.021 1.00 54.11 O ATOM 1148 CB LYS A 166 18.851 2.085 3.065 1.00 52.21 C ATOM 1149 CG LYS A 166 17.373 2.445 3.049 1.00 62.31 C ATOM 1150 CD LYS A 166 17.016 3.429 4.155 1.00 31.54 C ATOM 1151 CE LYS A 166 15.540 3.796 4.116 1.00 43.24 C ATOM 1152 NZ LYS A 166 15.184 4.829 5.124 1.00 55.23 N ATOM 0 H LYS A 166 21.215 1.793 2.150 1.00 51.34 H new ATOM 0 HA LYS A 166 18.825 0.102 2.232 1.00 44.41 H new ATOM 0 HB2 LYS A 166 19.105 1.679 4.044 1.00 52.21 H new ATOM 0 HB3 LYS A 166 19.438 2.994 2.935 1.00 52.21 H new ATOM 0 HG2 LYS A 166 17.115 2.877 2.082 1.00 62.31 H new ATOM 0 HG3 LYS A 166 16.777 1.539 3.163 1.00 62.31 H new ATOM 0 HD2 LYS A 166 17.259 2.993 5.124 1.00 31.54 H new ATOM 0 HD3 LYS A 166 17.620 4.331 4.051 1.00 31.54 H new ATOM 0 HE2 LYS A 166 15.286 4.161 3.121 1.00 43.24 H new ATOM 0 HE3 LYS A 166 14.942 2.902 4.290 1.00 43.24 H new ATOM 0 HZ1 LYS A 166 14.365 4.506 5.677 1.00 55.23 H new ATOM 0 HZ2 LYS A 166 15.991 4.986 5.760 1.00 55.23 H new ATOM 0 HZ3 LYS A 166 14.946 5.719 4.640 1.00 55.23 H new ATOM 1166 N TYR A 167 19.094 2.693 0.195 1.00 62.33 N ATOM 1167 CA TYR A 167 18.570 3.247 -1.042 1.00 64.14 C ATOM 1168 C TYR A 167 19.340 2.761 -2.262 1.00 61.43 C ATOM 1169 O TYR A 167 20.467 3.188 -2.523 1.00 71.31 O ATOM 1170 CB TYR A 167 18.558 4.774 -0.985 1.00 40.32 C ATOM 1171 CG TYR A 167 17.520 5.323 -0.035 1.00 62.50 C ATOM 1172 CD1 TYR A 167 17.716 6.529 0.621 1.00 75.35 C ATOM 1173 CD2 TYR A 167 16.339 4.630 0.203 1.00 33.24 C ATOM 1174 CE1 TYR A 167 16.764 7.028 1.489 1.00 34.43 C ATOM 1175 CE2 TYR A 167 15.387 5.123 1.065 1.00 14.23 C ATOM 1176 CZ TYR A 167 15.601 6.320 1.704 1.00 44.44 C ATOM 1177 OH TYR A 167 14.653 6.805 2.572 1.00 54.03 O ATOM 0 H TYR A 167 19.758 3.295 0.682 1.00 62.33 H new ATOM 0 HA TYR A 167 17.545 2.890 -1.146 1.00 64.14 H new ATOM 0 HB2 TYR A 167 19.543 5.128 -0.681 1.00 40.32 H new ATOM 0 HB3 TYR A 167 18.372 5.168 -1.984 1.00 40.32 H new ATOM 0 HD1 TYR A 167 18.626 7.086 0.451 1.00 75.35 H new ATOM 0 HD2 TYR A 167 16.166 3.689 -0.297 1.00 33.24 H new ATOM 0 HE1 TYR A 167 16.930 7.967 1.996 1.00 34.43 H new ATOM 0 HE2 TYR A 167 14.475 4.571 1.239 1.00 14.23 H new ATOM 0 HH TYR A 167 13.895 6.185 2.608 1.00 54.03 H new ATOM 1187 N HIS A 168 18.713 1.854 -2.993 1.00 50.41 N ATOM 1188 CA HIS A 168 19.250 1.347 -4.248 1.00 61.03 C ATOM 1189 C HIS A 168 18.463 1.936 -5.410 1.00 22.32 C ATOM 1190 O HIS A 168 17.276 2.228 -5.272 1.00 74.22 O ATOM 1191 CB HIS A 168 19.165 -0.182 -4.296 1.00 15.03 C ATOM 1192 CG HIS A 168 20.105 -0.882 -3.360 1.00 72.43 C ATOM 1193 ND1 HIS A 168 21.261 -1.467 -3.812 1.00 43.12 N ATOM 1194 CD2 HIS A 168 20.006 -1.079 -2.023 1.00 2.34 C ATOM 1195 CE1 HIS A 168 21.836 -2.006 -2.752 1.00 64.20 C ATOM 1196 NE2 HIS A 168 21.111 -1.795 -1.644 1.00 50.53 N ATOM 0 H HIS A 168 17.815 1.447 -2.733 1.00 50.41 H new ATOM 0 HA HIS A 168 20.297 1.639 -4.323 1.00 61.03 H new ATOM 0 HB2 HIS A 168 18.145 -0.485 -4.061 1.00 15.03 H new ATOM 0 HB3 HIS A 168 19.370 -0.514 -5.314 1.00 15.03 H new ATOM 0 HD2 HIS A 168 19.209 -0.737 -1.379 1.00 2.34 H new ATOM 0 HE1 HIS A 168 22.770 -2.547 -2.775 1.00 64.20 H new ATOM 0 HE2 HIS A 168 21.338 -2.108 -0.700 1.00 50.53 H new ATOM 1204 N THR A 169 19.109 2.111 -6.546 1.00 22.13 N ATOM 1205 CA THR A 169 18.436 2.666 -7.710 1.00 4.22 C ATOM 1206 C THR A 169 18.086 1.570 -8.713 1.00 52.14 C ATOM 1207 O THR A 169 18.948 1.079 -9.440 1.00 61.40 O ATOM 1208 CB THR A 169 19.299 3.742 -8.392 1.00 11.12 C ATOM 1209 OG1 THR A 169 19.656 4.756 -7.442 1.00 31.10 O ATOM 1210 CG2 THR A 169 18.553 4.378 -9.554 1.00 51.50 C ATOM 0 H THR A 169 20.092 1.880 -6.690 1.00 22.13 H new ATOM 0 HA THR A 169 17.514 3.131 -7.361 1.00 4.22 H new ATOM 0 HB THR A 169 20.200 3.264 -8.775 1.00 11.12 H new ATOM 0 HG1 THR A 169 20.207 5.437 -7.882 1.00 31.10 H new ATOM 0 HG21 THR A 169 19.183 5.135 -10.020 1.00 51.50 H new ATOM 0 HG22 THR A 169 18.302 3.612 -10.288 1.00 51.50 H new ATOM 0 HG23 THR A 169 17.638 4.843 -9.188 1.00 51.50 H new ATOM 1218 N VAL A 170 16.817 1.187 -8.738 1.00 51.05 N ATOM 1219 CA VAL A 170 16.342 0.156 -9.650 1.00 43.51 C ATOM 1220 C VAL A 170 15.323 0.749 -10.616 1.00 2.42 C ATOM 1221 O VAL A 170 14.402 1.446 -10.195 1.00 70.33 O ATOM 1222 CB VAL A 170 15.699 -1.026 -8.895 1.00 55.03 C ATOM 1223 CG1 VAL A 170 15.351 -2.146 -9.860 1.00 61.34 C ATOM 1224 CG2 VAL A 170 16.618 -1.534 -7.793 1.00 73.44 C ATOM 0 H VAL A 170 16.094 1.577 -8.133 1.00 51.05 H new ATOM 0 HA VAL A 170 17.206 -0.221 -10.198 1.00 43.51 H new ATOM 0 HB VAL A 170 14.779 -0.671 -8.429 1.00 55.03 H new ATOM 0 HG11 VAL A 170 14.898 -2.972 -9.311 1.00 61.34 H new ATOM 0 HG12 VAL A 170 14.647 -1.778 -10.606 1.00 61.34 H new ATOM 0 HG13 VAL A 170 16.257 -2.494 -10.356 1.00 61.34 H new ATOM 0 HG21 VAL A 170 16.141 -2.367 -7.277 1.00 73.44 H new ATOM 0 HG22 VAL A 170 17.559 -1.869 -8.229 1.00 73.44 H new ATOM 0 HG23 VAL A 170 16.813 -0.731 -7.083 1.00 73.44 H new ATOM 1234 N ASN A 171 15.504 0.476 -11.907 1.00 73.52 N ATOM 1235 CA ASN A 171 14.655 1.041 -12.963 1.00 34.35 C ATOM 1236 C ASN A 171 14.724 2.574 -12.942 1.00 50.20 C ATOM 1237 O ASN A 171 13.798 3.266 -13.370 1.00 25.23 O ATOM 1238 CB ASN A 171 13.201 0.557 -12.801 1.00 23.34 C ATOM 1239 CG ASN A 171 12.307 0.956 -13.966 1.00 43.22 C ATOM 1240 OD1 ASN A 171 12.762 1.095 -15.100 1.00 41.32 O ATOM 1241 ND2 ASN A 171 11.023 1.136 -13.691 1.00 23.33 N ATOM 0 H ASN A 171 16.239 -0.140 -12.253 1.00 73.52 H new ATOM 0 HA ASN A 171 15.024 0.695 -13.929 1.00 34.35 H new ATOM 0 HB2 ASN A 171 13.194 -0.528 -12.701 1.00 23.34 H new ATOM 0 HB3 ASN A 171 12.789 0.965 -11.878 1.00 23.34 H new ATOM 0 HD21 ASN A 171 10.375 1.399 -14.433 1.00 23.33 H new ATOM 0 HD22 ASN A 171 10.683 1.011 -12.737 1.00 23.33 H new ATOM 1248 N GLY A 172 15.844 3.100 -12.462 1.00 40.35 N ATOM 1249 CA GLY A 172 16.001 4.539 -12.346 1.00 72.23 C ATOM 1250 C GLY A 172 15.234 5.111 -11.168 1.00 21.41 C ATOM 1251 O GLY A 172 15.176 6.326 -10.982 1.00 72.32 O ATOM 0 H GLY A 172 16.648 2.556 -12.150 1.00 40.35 H new ATOM 0 HA2 GLY A 172 17.059 4.779 -12.238 1.00 72.23 H new ATOM 0 HA3 GLY A 172 15.658 5.015 -13.265 1.00 72.23 H new ATOM 1255 N HIS A 173 14.647 4.231 -10.371 1.00 72.45 N ATOM 1256 CA HIS A 173 13.849 4.632 -9.224 1.00 64.22 C ATOM 1257 C HIS A 173 14.584 4.295 -7.929 1.00 54.04 C ATOM 1258 O HIS A 173 15.114 3.194 -7.773 1.00 51.40 O ATOM 1259 CB HIS A 173 12.481 3.930 -9.276 1.00 74.43 C ATOM 1260 CG HIS A 173 11.570 4.248 -8.127 1.00 72.31 C ATOM 1261 ND1 HIS A 173 10.696 5.308 -8.172 1.00 34.35 N ATOM 1262 CD2 HIS A 173 11.427 3.609 -6.941 1.00 43.53 C ATOM 1263 CE1 HIS A 173 10.046 5.289 -7.019 1.00 44.43 C ATOM 1264 NE2 HIS A 173 10.457 4.278 -6.241 1.00 31.23 N ATOM 0 H HIS A 173 14.711 3.221 -10.501 1.00 72.45 H new ATOM 0 HA HIS A 173 13.689 5.710 -9.253 1.00 64.22 H new ATOM 0 HB2 HIS A 173 11.982 4.205 -10.205 1.00 74.43 H new ATOM 0 HB3 HIS A 173 12.642 2.852 -9.307 1.00 74.43 H new ATOM 0 HD2 HIS A 173 11.973 2.738 -6.610 1.00 43.53 H new ATOM 0 HE1 HIS A 173 9.281 5.999 -6.740 1.00 44.43 H new ATOM 0 HE2 HIS A 173 10.114 4.050 -5.308 1.00 31.23 H new ATOM 1272 N ASN A 174 14.626 5.249 -7.014 1.00 3.33 N ATOM 1273 CA ASN A 174 15.277 5.047 -5.728 1.00 43.34 C ATOM 1274 C ASN A 174 14.374 4.232 -4.812 1.00 15.03 C ATOM 1275 O ASN A 174 13.233 4.614 -4.554 1.00 13.41 O ATOM 1276 CB ASN A 174 15.613 6.396 -5.086 1.00 52.34 C ATOM 1277 CG ASN A 174 16.324 6.254 -3.752 1.00 24.21 C ATOM 1278 OD1 ASN A 174 17.544 6.106 -3.701 1.00 11.12 O ATOM 1279 ND2 ASN A 174 15.574 6.326 -2.663 1.00 45.11 N ATOM 0 H ASN A 174 14.216 6.175 -7.138 1.00 3.33 H new ATOM 0 HA ASN A 174 16.206 4.499 -5.883 1.00 43.34 H new ATOM 0 HB2 ASN A 174 16.240 6.971 -5.767 1.00 52.34 H new ATOM 0 HB3 ASN A 174 14.694 6.964 -4.944 1.00 52.34 H new ATOM 0 HD21 ASN A 174 16.005 6.258 -1.741 1.00 45.11 H new ATOM 0 HD22 ASN A 174 14.565 6.449 -2.746 1.00 45.11 H new ATOM 1286 N CYS A 175 14.878 3.106 -4.339 1.00 61.01 N ATOM 1287 CA CYS A 175 14.096 2.211 -3.505 1.00 51.13 C ATOM 1288 C CYS A 175 14.823 1.907 -2.202 1.00 32.12 C ATOM 1289 O CYS A 175 16.016 2.169 -2.073 1.00 73.22 O ATOM 1290 CB CYS A 175 13.809 0.914 -4.263 1.00 13.40 C ATOM 1291 SG CYS A 175 15.285 0.053 -4.851 1.00 75.30 S ATOM 0 H CYS A 175 15.830 2.789 -4.520 1.00 61.01 H new ATOM 0 HA CYS A 175 13.154 2.702 -3.261 1.00 51.13 H new ATOM 0 HB2 CYS A 175 13.247 0.244 -3.613 1.00 13.40 H new ATOM 0 HB3 CYS A 175 13.170 1.140 -5.117 1.00 13.40 H new ATOM 0 HG CYS A 175 16.164 0.923 -5.252 1.00 75.30 H new ATOM 1297 N GLU A 176 14.095 1.352 -1.248 1.00 72.32 N ATOM 1298 CA GLU A 176 14.655 0.990 0.042 1.00 0.23 C ATOM 1299 C GLU A 176 14.758 -0.525 0.159 1.00 55.00 C ATOM 1300 O GLU A 176 13.755 -1.236 0.086 1.00 61.41 O ATOM 1301 CB GLU A 176 13.786 1.552 1.167 1.00 14.21 C ATOM 1302 CG GLU A 176 14.147 1.026 2.545 1.00 52.25 C ATOM 1303 CD GLU A 176 13.026 1.203 3.547 1.00 5.54 C ATOM 1304 OE1 GLU A 176 13.029 2.211 4.285 1.00 23.43 O ATOM 1305 OE2 GLU A 176 12.144 0.325 3.610 1.00 41.14 O ATOM 0 H GLU A 176 13.102 1.140 -1.346 1.00 72.32 H new ATOM 0 HA GLU A 176 15.655 1.416 0.127 1.00 0.23 H new ATOM 0 HB2 GLU A 176 13.871 2.639 1.170 1.00 14.21 H new ATOM 0 HB3 GLU A 176 12.743 1.314 0.960 1.00 14.21 H new ATOM 0 HG2 GLU A 176 14.400 -0.032 2.471 1.00 52.25 H new ATOM 0 HG3 GLU A 176 15.037 1.542 2.906 1.00 52.25 H new ATOM 1312 N VAL A 177 15.972 -1.013 0.323 1.00 33.24 N ATOM 1313 CA VAL A 177 16.208 -2.439 0.414 1.00 12.55 C ATOM 1314 C VAL A 177 16.638 -2.840 1.819 1.00 21.34 C ATOM 1315 O VAL A 177 17.507 -2.209 2.425 1.00 42.14 O ATOM 1316 CB VAL A 177 17.274 -2.895 -0.601 1.00 65.42 C ATOM 1317 CG1 VAL A 177 17.560 -4.378 -0.451 1.00 12.52 C ATOM 1318 CG2 VAL A 177 16.826 -2.575 -2.018 1.00 61.51 C ATOM 0 H VAL A 177 16.813 -0.440 0.396 1.00 33.24 H new ATOM 0 HA VAL A 177 15.265 -2.934 0.180 1.00 12.55 H new ATOM 0 HB VAL A 177 18.197 -2.351 -0.399 1.00 65.42 H new ATOM 0 HG11 VAL A 177 18.315 -4.678 -1.177 1.00 12.52 H new ATOM 0 HG12 VAL A 177 17.925 -4.578 0.556 1.00 12.52 H new ATOM 0 HG13 VAL A 177 16.645 -4.944 -0.624 1.00 12.52 H new ATOM 0 HG21 VAL A 177 17.589 -2.903 -2.724 1.00 61.51 H new ATOM 0 HG22 VAL A 177 15.890 -3.092 -2.229 1.00 61.51 H new ATOM 0 HG23 VAL A 177 16.677 -1.500 -2.118 1.00 61.51 H new ATOM 1328 N ARG A 178 16.013 -3.892 2.330 1.00 10.01 N ATOM 1329 CA ARG A 178 16.334 -4.417 3.648 1.00 31.53 C ATOM 1330 C ARG A 178 16.631 -5.904 3.552 1.00 12.22 C ATOM 1331 O ARG A 178 16.533 -6.497 2.476 1.00 73.50 O ATOM 1332 CB ARG A 178 15.162 -4.219 4.612 1.00 52.43 C ATOM 1333 CG ARG A 178 14.504 -2.856 4.528 1.00 11.21 C ATOM 1334 CD ARG A 178 13.447 -2.693 5.605 1.00 4.11 C ATOM 1335 NE ARG A 178 12.775 -1.402 5.525 1.00 13.14 N ATOM 1336 CZ ARG A 178 12.328 -0.725 6.576 1.00 13.32 C ATOM 1337 NH1 ARG A 178 12.479 -1.207 7.802 1.00 72.32 N ATOM 1338 NH2 ARG A 178 11.732 0.443 6.390 1.00 65.41 N ATOM 0 H ARG A 178 15.274 -4.402 1.846 1.00 10.01 H new ATOM 0 HA ARG A 178 17.205 -3.879 4.022 1.00 31.53 H new ATOM 0 HB2 ARG A 178 14.411 -4.984 4.414 1.00 52.43 H new ATOM 0 HB3 ARG A 178 15.515 -4.376 5.631 1.00 52.43 H new ATOM 0 HG2 ARG A 178 15.259 -2.077 4.634 1.00 11.21 H new ATOM 0 HG3 ARG A 178 14.050 -2.728 3.546 1.00 11.21 H new ATOM 0 HD2 ARG A 178 12.710 -3.491 5.512 1.00 4.11 H new ATOM 0 HD3 ARG A 178 13.910 -2.799 6.586 1.00 4.11 H new ATOM 0 HE ARG A 178 12.639 -0.992 4.601 1.00 13.14 H new ATOM 0 HH11 ARG A 178 12.942 -2.105 7.944 1.00 72.32 H new ATOM 0 HH12 ARG A 178 12.132 -0.680 8.604 1.00 72.32 H new ATOM 0 HH21 ARG A 178 11.620 0.814 5.446 1.00 65.41 H new ATOM 0 HH22 ARG A 178 11.385 0.972 7.190 1.00 65.41 H new ATOM 1352 N LYS A 179 16.982 -6.506 4.677 1.00 60.34 N ATOM 1353 CA LYS A 179 17.100 -7.953 4.749 1.00 55.33 C ATOM 1354 C LYS A 179 15.701 -8.545 4.848 1.00 74.24 C ATOM 1355 O LYS A 179 14.938 -8.177 5.744 1.00 44.44 O ATOM 1356 CB LYS A 179 17.928 -8.396 5.967 1.00 54.41 C ATOM 1357 CG LYS A 179 19.345 -7.840 6.020 1.00 23.32 C ATOM 1358 CD LYS A 179 19.399 -6.477 6.695 1.00 22.10 C ATOM 1359 CE LYS A 179 20.824 -5.956 6.793 1.00 24.53 C ATOM 1360 NZ LYS A 179 21.736 -6.938 7.439 1.00 71.51 N ATOM 0 H LYS A 179 17.189 -6.018 5.548 1.00 60.34 H new ATOM 0 HA LYS A 179 17.612 -8.306 3.854 1.00 55.33 H new ATOM 0 HB2 LYS A 179 17.402 -8.096 6.873 1.00 54.41 H new ATOM 0 HB3 LYS A 179 17.981 -9.485 5.975 1.00 54.41 H new ATOM 0 HG2 LYS A 179 19.988 -8.537 6.558 1.00 23.32 H new ATOM 0 HG3 LYS A 179 19.740 -7.759 5.008 1.00 23.32 H new ATOM 0 HD2 LYS A 179 18.790 -5.768 6.134 1.00 22.10 H new ATOM 0 HD3 LYS A 179 18.968 -6.548 7.693 1.00 22.10 H new ATOM 0 HE2 LYS A 179 21.193 -5.721 5.795 1.00 24.53 H new ATOM 0 HE3 LYS A 179 20.831 -5.026 7.362 1.00 24.53 H new ATOM 0 HZ1 LYS A 179 22.619 -6.462 7.716 1.00 71.51 H new ATOM 0 HZ2 LYS A 179 21.277 -7.335 8.284 1.00 71.51 H new ATOM 0 HZ3 LYS A 179 21.951 -7.705 6.770 1.00 71.51 H new ATOM 1374 N ALA A 180 15.353 -9.434 3.928 1.00 25.12 N ATOM 1375 CA ALA A 180 14.014 -10.010 3.910 1.00 72.14 C ATOM 1376 C ALA A 180 13.823 -11.053 5.008 1.00 61.21 C ATOM 1377 O ALA A 180 14.139 -12.232 4.830 1.00 20.21 O ATOM 1378 CB ALA A 180 13.702 -10.617 2.552 1.00 2.54 C ATOM 0 H ALA A 180 15.972 -9.770 3.190 1.00 25.12 H new ATOM 0 HA ALA A 180 13.317 -9.195 4.102 1.00 72.14 H new ATOM 0 HB1 ALA A 180 12.698 -11.040 2.565 1.00 2.54 H new ATOM 0 HB2 ALA A 180 13.761 -9.844 1.786 1.00 2.54 H new ATOM 0 HB3 ALA A 180 14.424 -11.403 2.330 1.00 2.54 H new ATOM 1384 N LEU A 181 13.319 -10.611 6.150 1.00 52.53 N ATOM 1385 CA LEU A 181 12.916 -11.528 7.202 1.00 5.31 C ATOM 1386 C LEU A 181 11.469 -11.931 6.964 1.00 15.10 C ATOM 1387 O LEU A 181 10.617 -11.078 6.709 1.00 72.45 O ATOM 1388 CB LEU A 181 13.093 -10.911 8.605 1.00 71.24 C ATOM 1389 CG LEU A 181 12.080 -9.838 9.030 1.00 74.51 C ATOM 1390 CD1 LEU A 181 12.289 -9.484 10.492 1.00 41.42 C ATOM 1391 CD2 LEU A 181 12.193 -8.587 8.172 1.00 24.20 C ATOM 0 H LEU A 181 13.180 -9.625 6.371 1.00 52.53 H new ATOM 0 HA LEU A 181 13.558 -12.408 7.169 1.00 5.31 H new ATOM 0 HB2 LEU A 181 13.058 -11.718 9.337 1.00 71.24 H new ATOM 0 HB3 LEU A 181 14.091 -10.475 8.659 1.00 71.24 H new ATOM 0 HG LEU A 181 11.080 -10.247 8.890 1.00 74.51 H new ATOM 0 HD11 LEU A 181 11.568 -8.722 10.789 1.00 41.42 H new ATOM 0 HD12 LEU A 181 12.150 -10.374 11.105 1.00 41.42 H new ATOM 0 HD13 LEU A 181 13.300 -9.101 10.633 1.00 41.42 H new ATOM 0 HD21 LEU A 181 11.460 -7.851 8.503 1.00 24.20 H new ATOM 0 HD22 LEU A 181 13.195 -8.169 8.268 1.00 24.20 H new ATOM 0 HD23 LEU A 181 12.005 -8.843 7.129 1.00 24.20 H new ATOM 1403 N SER A 182 11.201 -13.228 7.014 1.00 55.11 N ATOM 1404 CA SER A 182 9.887 -13.759 6.683 1.00 73.34 C ATOM 1405 C SER A 182 8.810 -13.149 7.579 1.00 64.14 C ATOM 1406 O SER A 182 9.096 -12.731 8.699 1.00 31.43 O ATOM 1407 CB SER A 182 9.912 -15.277 6.827 1.00 23.31 C ATOM 1408 OG SER A 182 11.072 -15.815 6.214 1.00 11.10 O ATOM 0 H SER A 182 11.883 -13.937 7.283 1.00 55.11 H new ATOM 0 HA SER A 182 9.644 -13.497 5.653 1.00 73.34 H new ATOM 0 HB2 SER A 182 9.892 -15.548 7.882 1.00 23.31 H new ATOM 0 HB3 SER A 182 9.020 -15.706 6.371 1.00 23.31 H new ATOM 0 HG SER A 182 11.816 -15.800 6.852 1.00 11.10 H new ATOM 1414 N LYS A 183 7.574 -13.100 7.088 1.00 23.04 N ATOM 1415 CA LYS A 183 6.470 -12.518 7.849 1.00 3.41 C ATOM 1416 C LYS A 183 6.202 -13.309 9.128 1.00 71.42 C ATOM 1417 O LYS A 183 5.511 -12.841 10.031 1.00 74.11 O ATOM 1418 CB LYS A 183 5.202 -12.421 6.996 1.00 3.21 C ATOM 1419 CG LYS A 183 4.808 -13.714 6.312 1.00 5.42 C ATOM 1420 CD LYS A 183 3.458 -13.579 5.630 1.00 55.23 C ATOM 1421 CE LYS A 183 3.099 -14.825 4.842 1.00 43.55 C ATOM 1422 NZ LYS A 183 2.952 -16.021 5.710 1.00 21.13 N ATOM 0 H LYS A 183 7.311 -13.455 6.169 1.00 23.04 H new ATOM 0 HA LYS A 183 6.764 -11.508 8.134 1.00 3.41 H new ATOM 0 HB2 LYS A 183 4.377 -12.093 7.629 1.00 3.21 H new ATOM 0 HB3 LYS A 183 5.347 -11.652 6.237 1.00 3.21 H new ATOM 0 HG2 LYS A 183 5.565 -13.986 5.577 1.00 5.42 H new ATOM 0 HG3 LYS A 183 4.770 -14.520 7.044 1.00 5.42 H new ATOM 0 HD2 LYS A 183 2.690 -13.388 6.379 1.00 55.23 H new ATOM 0 HD3 LYS A 183 3.472 -12.718 4.962 1.00 55.23 H new ATOM 0 HE2 LYS A 183 2.167 -14.654 4.302 1.00 43.55 H new ATOM 0 HE3 LYS A 183 3.870 -15.014 4.095 1.00 43.55 H new ATOM 0 HZ1 LYS A 183 2.608 -16.822 5.142 1.00 21.13 H new ATOM 0 HZ2 LYS A 183 3.874 -16.263 6.127 1.00 21.13 H new ATOM 0 HZ3 LYS A 183 2.271 -15.817 6.469 1.00 21.13 H new ATOM 1436 N GLN A 184 6.757 -14.510 9.197 1.00 61.50 N ATOM 1437 CA GLN A 184 6.703 -15.313 10.407 1.00 60.11 C ATOM 1438 C GLN A 184 7.748 -14.797 11.397 1.00 11.54 C ATOM 1439 O GLN A 184 7.473 -14.625 12.587 1.00 30.31 O ATOM 1440 CB GLN A 184 6.966 -16.779 10.053 1.00 45.55 C ATOM 1441 CG GLN A 184 6.301 -17.782 10.987 1.00 61.12 C ATOM 1442 CD GLN A 184 6.949 -17.851 12.356 1.00 1.21 C ATOM 1443 OE1 GLN A 184 8.154 -17.646 12.500 1.00 4.33 O ATOM 1444 NE2 GLN A 184 6.150 -18.139 13.371 1.00 35.30 N ATOM 0 H GLN A 184 7.253 -14.951 8.423 1.00 61.50 H new ATOM 0 HA GLN A 184 5.718 -15.238 10.867 1.00 60.11 H new ATOM 0 HB2 GLN A 184 6.619 -16.962 9.036 1.00 45.55 H new ATOM 0 HB3 GLN A 184 8.042 -16.954 10.059 1.00 45.55 H new ATOM 0 HG2 GLN A 184 5.250 -17.517 11.104 1.00 61.12 H new ATOM 0 HG3 GLN A 184 6.332 -18.770 10.528 1.00 61.12 H new ATOM 0 HE21 GLN A 184 5.156 -18.302 13.208 1.00 35.30 H new ATOM 0 HE22 GLN A 184 6.528 -18.198 14.317 1.00 35.30 H new ATOM 1453 N GLU A 185 8.936 -14.513 10.873 1.00 42.53 N ATOM 1454 CA GLU A 185 10.058 -14.041 11.675 1.00 20.21 C ATOM 1455 C GLU A 185 9.845 -12.600 12.114 1.00 30.42 C ATOM 1456 O GLU A 185 10.122 -12.243 13.257 1.00 10.12 O ATOM 1457 CB GLU A 185 11.358 -14.128 10.874 1.00 34.14 C ATOM 1458 CG GLU A 185 11.657 -15.513 10.335 1.00 20.20 C ATOM 1459 CD GLU A 185 12.879 -15.523 9.438 1.00 64.23 C ATOM 1460 OE1 GLU A 185 13.974 -15.873 9.923 1.00 33.03 O ATOM 1461 OE2 GLU A 185 12.752 -15.167 8.246 1.00 61.25 O ATOM 0 H GLU A 185 9.148 -14.604 9.879 1.00 42.53 H new ATOM 0 HA GLU A 185 10.125 -14.677 12.557 1.00 20.21 H new ATOM 0 HB2 GLU A 185 11.307 -13.428 10.040 1.00 34.14 H new ATOM 0 HB3 GLU A 185 12.186 -13.809 11.508 1.00 34.14 H new ATOM 0 HG2 GLU A 185 11.813 -16.200 11.167 1.00 20.20 H new ATOM 0 HG3 GLU A 185 10.795 -15.879 9.777 1.00 20.20 H new ATOM 1468 N MET A 186 9.348 -11.774 11.199 1.00 14.34 N ATOM 1469 CA MET A 186 9.144 -10.357 11.474 1.00 63.51 C ATOM 1470 C MET A 186 8.075 -10.171 12.544 1.00 30.44 C ATOM 1471 O MET A 186 8.030 -9.144 13.221 1.00 35.03 O ATOM 1472 CB MET A 186 8.770 -9.604 10.191 1.00 15.01 C ATOM 1473 CG MET A 186 7.334 -9.807 9.736 1.00 10.23 C ATOM 1474 SD MET A 186 7.007 -9.064 8.126 1.00 41.03 S ATOM 1475 CE MET A 186 7.437 -7.355 8.444 1.00 50.42 C ATOM 0 H MET A 186 9.079 -12.063 10.259 1.00 14.34 H new ATOM 0 HA MET A 186 10.079 -9.940 11.849 1.00 63.51 H new ATOM 0 HB2 MET A 186 8.941 -8.539 10.347 1.00 15.01 H new ATOM 0 HB3 MET A 186 9.439 -9.920 9.391 1.00 15.01 H new ATOM 0 HG2 MET A 186 7.118 -10.874 9.690 1.00 10.23 H new ATOM 0 HG3 MET A 186 6.658 -9.377 10.475 1.00 10.23 H new ATOM 0 HE1 MET A 186 7.029 -6.724 7.655 1.00 50.42 H new ATOM 0 HE2 MET A 186 7.023 -7.048 9.404 1.00 50.42 H new ATOM 0 HE3 MET A 186 8.522 -7.251 8.467 1.00 50.42 H new