USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 27 MET CE :methyl 172:sc= -0.378 (180deg=-0.628) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.0727 K(o=-0.45,f=-1.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 120:sc= 1 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.61) USER MOD Single : A 20 THR OG1 : rot 60:sc= -5.2! USER MOD Single : A 23 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.2!) USER MOD Single : A 24 SER OG : rot 39:sc= 0.38 USER MOD Single : A 25 MET CE :methyl 159:sc= -0.183 (180deg=-0.887) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.00566 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -7:sc= 0.619 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -7.27! C(o=-7.3!,f=-11!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 45 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.0265 K(o=-0.026,f=-0.74) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -112:sc= 1.24 USER MOD Single : A 58 SER OG : rot 16:sc= 0.661 USER MOD Single : A 63 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.646) USER MOD Single : A 74 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.047) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.17) USER MOD Single : A 81 SER OG : rot 16:sc= 0.436 USER MOD Single : A 86 THR OG1 : rot -51:sc= 1.27 USER MOD Single : A 91 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.693 3.467 -12.454 1.00 0.00 N ATOM 112 CA ASP A 8 -15.047 2.562 -11.503 1.00 0.00 C ATOM 113 C ASP A 8 -13.551 2.467 -11.803 1.00 0.00 C ATOM 114 O ASP A 8 -13.106 1.525 -12.463 1.00 0.00 O ATOM 115 CB ASP A 8 -15.650 1.149 -11.564 1.00 0.00 C ATOM 116 CG ASP A 8 -17.149 1.107 -11.354 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.600 0.996 -10.192 1.00 0.00 O ATOM 118 OD2 ASP A 8 -17.890 1.145 -12.359 1.00 0.00 O ATOM 0 HA ASP A 8 -15.210 2.970 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.417 0.708 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.170 0.528 -10.807 1.00 0.00 H new ATOM 123 N PRO A 9 -12.756 3.459 -11.372 1.00 0.00 N ATOM 124 CA PRO A 9 -11.307 3.458 -11.581 1.00 0.00 C ATOM 125 C PRO A 9 -10.581 2.490 -10.648 1.00 0.00 C ATOM 126 O PRO A 9 -10.797 2.494 -9.433 1.00 0.00 O ATOM 127 CB PRO A 9 -10.890 4.908 -11.278 1.00 0.00 C ATOM 128 CG PRO A 9 -12.164 5.671 -11.119 1.00 0.00 C ATOM 129 CD PRO A 9 -13.189 4.674 -10.676 1.00 0.00 C ATOM 0 HA PRO A 9 -11.049 3.130 -12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.287 4.960 -10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.286 5.319 -12.087 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.052 6.468 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.457 6.141 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.191 4.545 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.198 4.971 -10.964 1.00 0.00 H new ATOM 137 N THR A 10 -9.732 1.656 -11.223 1.00 0.00 N ATOM 138 CA THR A 10 -8.914 0.742 -10.446 1.00 0.00 C ATOM 139 C THR A 10 -7.489 1.283 -10.349 1.00 0.00 C ATOM 140 O THR A 10 -6.751 1.312 -11.336 1.00 0.00 O ATOM 141 CB THR A 10 -8.908 -0.666 -11.073 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.258 -1.127 -11.237 1.00 0.00 O ATOM 143 CG2 THR A 10 -8.139 -1.647 -10.200 1.00 0.00 C ATOM 0 H THR A 10 -9.591 1.593 -12.231 1.00 0.00 H new ATOM 0 HA THR A 10 -9.339 0.662 -9.446 1.00 0.00 H new ATOM 0 HB THR A 10 -8.416 -0.608 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.252 -2.021 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.150 -2.633 -10.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.109 -1.308 -10.092 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.607 -1.704 -9.217 1.00 0.00 H new ATOM 151 N LEU A 11 -7.113 1.722 -9.157 1.00 0.00 N ATOM 152 CA LEU A 11 -5.843 2.402 -8.960 1.00 0.00 C ATOM 153 C LEU A 11 -4.745 1.429 -8.565 1.00 0.00 C ATOM 154 O LEU A 11 -4.990 0.429 -7.889 1.00 0.00 O ATOM 155 CB LEU A 11 -5.977 3.483 -7.888 1.00 0.00 C ATOM 156 CG LEU A 11 -7.001 4.575 -8.195 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.034 5.601 -7.073 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.681 5.241 -9.525 1.00 0.00 C ATOM 0 H LEU A 11 -7.672 1.619 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.569 2.863 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.248 3.007 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.003 3.950 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.988 4.118 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.768 6.372 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.308 5.110 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.050 6.057 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.419 6.017 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.688 5.688 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.707 4.496 -10.320 1.00 0.00 H new ATOM 170 N THR A 12 -3.536 1.734 -9.000 1.00 0.00 N ATOM 171 CA THR A 12 -2.368 0.954 -8.644 1.00 0.00 C ATOM 172 C THR A 12 -1.345 1.847 -7.945 1.00 0.00 C ATOM 173 O THR A 12 -0.589 2.568 -8.596 1.00 0.00 O ATOM 174 CB THR A 12 -1.729 0.318 -9.892 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.752 -0.271 -10.714 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.712 -0.742 -9.500 1.00 0.00 C ATOM 0 H THR A 12 -3.338 2.528 -9.609 1.00 0.00 H new ATOM 0 HA THR A 12 -2.681 0.156 -7.971 1.00 0.00 H new ATOM 0 HB THR A 12 -1.214 1.099 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.746 0.153 -11.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.275 -1.177 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.074 -0.287 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.205 -1.524 -8.922 1.00 0.00 H new ATOM 184 N LEU A 13 -1.343 1.812 -6.621 1.00 0.00 N ATOM 185 CA LEU A 13 -0.479 2.685 -5.836 1.00 0.00 C ATOM 186 C LEU A 13 0.766 1.932 -5.387 1.00 0.00 C ATOM 187 O LEU A 13 0.797 0.705 -5.414 1.00 0.00 O ATOM 188 CB LEU A 13 -1.229 3.215 -4.611 1.00 0.00 C ATOM 189 CG LEU A 13 -2.574 3.882 -4.906 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.218 4.375 -3.622 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.400 5.027 -5.887 1.00 0.00 C ATOM 0 H LEU A 13 -1.930 1.189 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.181 3.526 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.396 2.387 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.590 3.934 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.232 3.140 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.174 4.846 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.381 3.532 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.562 5.101 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.368 5.488 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.724 5.770 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.983 4.647 -6.820 1.00 0.00 H new ATOM 203 N SER A 14 1.784 2.665 -4.978 1.00 0.00 N ATOM 204 CA SER A 14 3.014 2.056 -4.502 1.00 0.00 C ATOM 205 C SER A 14 3.060 2.054 -2.975 1.00 0.00 C ATOM 206 O SER A 14 2.494 2.940 -2.326 1.00 0.00 O ATOM 207 CB SER A 14 4.213 2.805 -5.085 1.00 0.00 C ATOM 208 OG SER A 14 4.015 4.208 -5.022 1.00 0.00 O ATOM 0 H SER A 14 1.785 3.685 -4.965 1.00 0.00 H new ATOM 0 HA SER A 14 3.051 1.019 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.116 2.537 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.367 2.502 -6.121 1.00 0.00 H new ATOM 0 HG SER A 14 4.795 4.666 -5.399 1.00 0.00 H new ATOM 214 N LEU A 15 3.710 1.044 -2.407 1.00 0.00 N ATOM 215 CA LEU A 15 3.837 0.928 -0.960 1.00 0.00 C ATOM 216 C LEU A 15 5.152 1.549 -0.495 1.00 0.00 C ATOM 217 O LEU A 15 6.224 1.185 -0.983 1.00 0.00 O ATOM 218 CB LEU A 15 3.771 -0.544 -0.542 1.00 0.00 C ATOM 219 CG LEU A 15 3.706 -0.799 0.965 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.411 -0.253 1.544 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.831 -2.286 1.259 1.00 0.00 C ATOM 0 H LEU A 15 4.158 0.292 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 15 3.012 1.464 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.896 -0.997 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.646 -1.057 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 15 4.541 -0.280 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.383 -0.444 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.357 0.821 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.563 -0.744 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.783 -2.449 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.016 -2.823 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.784 -2.653 0.879 1.00 0.00 H new ATOM 233 N ILE A 16 5.068 2.488 0.437 1.00 0.00 N ATOM 234 CA ILE A 16 6.252 3.184 0.923 1.00 0.00 C ATOM 235 C ILE A 16 6.562 2.828 2.376 1.00 0.00 C ATOM 236 O ILE A 16 5.670 2.480 3.156 1.00 0.00 O ATOM 237 CB ILE A 16 6.110 4.719 0.801 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.912 5.222 1.615 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.974 5.121 -0.661 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.812 6.732 1.691 1.00 0.00 C ATOM 0 H ILE A 16 4.194 2.785 0.871 1.00 0.00 H new ATOM 0 HA ILE A 16 7.076 2.853 0.291 1.00 0.00 H new ATOM 0 HB ILE A 16 7.010 5.182 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.996 4.829 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.978 4.821 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.875 6.204 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.859 4.800 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.090 4.647 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.940 7.010 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.711 7.133 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.713 7.141 0.686 1.00 0.00 H new ATOM 252 N ALA A 17 7.839 2.910 2.717 1.00 0.00 N ATOM 253 CA ALA A 17 8.311 2.671 4.075 1.00 0.00 C ATOM 254 C ALA A 17 8.164 3.936 4.911 1.00 0.00 C ATOM 255 O ALA A 17 8.963 4.861 4.785 1.00 0.00 O ATOM 256 CB ALA A 17 9.762 2.217 4.036 1.00 0.00 C ATOM 0 H ALA A 17 8.581 3.145 2.058 1.00 0.00 H new ATOM 0 HA ALA A 17 7.710 1.887 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.115 2.038 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.840 1.296 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.373 2.991 3.571 1.00 0.00 H new ATOM 262 N LYS A 18 7.136 3.989 5.753 1.00 0.00 N ATOM 263 CA LYS A 18 6.905 5.176 6.561 1.00 0.00 C ATOM 264 C LYS A 18 7.768 5.138 7.815 1.00 0.00 C ATOM 265 O LYS A 18 7.614 4.251 8.661 1.00 0.00 O ATOM 266 CB LYS A 18 5.428 5.327 6.934 1.00 0.00 C ATOM 267 CG LYS A 18 5.121 6.662 7.600 1.00 0.00 C ATOM 268 CD LYS A 18 3.641 6.835 7.887 1.00 0.00 C ATOM 269 CE LYS A 18 3.348 8.204 8.484 1.00 0.00 C ATOM 270 NZ LYS A 18 1.898 8.394 8.756 1.00 0.00 N ATOM 0 H LYS A 18 6.462 3.236 5.891 1.00 0.00 H new ATOM 0 HA LYS A 18 7.185 6.044 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.819 5.226 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.143 4.517 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.681 6.738 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.461 7.473 6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.073 6.709 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.309 6.058 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.909 8.323 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.693 8.979 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.742 9.339 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.364 8.306 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.573 7.670 9.429 1.00 0.00 H new ATOM 284 N ASN A 19 8.691 6.095 7.894 1.00 0.00 N ATOM 285 CA ASN A 19 9.653 6.218 8.983 1.00 0.00 C ATOM 286 C ASN A 19 10.714 5.149 8.848 1.00 0.00 C ATOM 287 O ASN A 19 11.855 5.441 8.501 1.00 0.00 O ATOM 288 CB ASN A 19 8.999 6.139 10.372 1.00 0.00 C ATOM 289 CG ASN A 19 8.116 7.333 10.685 1.00 0.00 C ATOM 290 OD1 ASN A 19 8.597 8.377 11.129 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.816 7.179 10.490 1.00 0.00 N ATOM 0 H ASN A 19 8.791 6.822 7.186 1.00 0.00 H new ATOM 0 HA ASN A 19 10.103 7.207 8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.403 5.228 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.779 6.063 11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.174 7.940 10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.456 6.299 10.121 1.00 0.00 H new ATOM 298 N THR A 20 10.290 3.910 9.054 1.00 0.00 N ATOM 299 CA THR A 20 11.183 2.752 9.070 1.00 0.00 C ATOM 300 C THR A 20 12.417 3.006 9.956 1.00 0.00 C ATOM 301 O THR A 20 13.394 3.635 9.536 1.00 0.00 O ATOM 302 CB THR A 20 11.570 2.344 7.632 1.00 0.00 C ATOM 303 OG1 THR A 20 10.401 1.873 6.957 1.00 0.00 O ATOM 304 CG2 THR A 20 12.637 1.258 7.621 1.00 0.00 C ATOM 0 H THR A 20 9.311 3.675 9.216 1.00 0.00 H new ATOM 0 HA THR A 20 10.648 1.913 9.515 1.00 0.00 H new ATOM 0 HB THR A 20 11.982 3.217 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.728 2.585 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.882 0.999 6.591 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.532 1.622 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.262 0.375 8.138 1.00 0.00 H new ATOM 312 N PRO A 21 12.358 2.513 11.208 1.00 0.00 N ATOM 313 CA PRO A 21 13.329 2.845 12.266 1.00 0.00 C ATOM 314 C PRO A 21 14.767 2.386 11.998 1.00 0.00 C ATOM 315 O PRO A 21 15.101 1.899 10.914 1.00 0.00 O ATOM 316 CB PRO A 21 12.769 2.131 13.502 1.00 0.00 C ATOM 317 CG PRO A 21 11.907 1.047 12.963 1.00 0.00 C ATOM 318 CD PRO A 21 11.323 1.582 11.690 1.00 0.00 C ATOM 0 HA PRO A 21 13.423 3.927 12.361 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.570 1.727 14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.197 2.816 14.128 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.487 0.143 12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.122 0.783 13.672 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.131 0.787 10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.375 2.090 11.865 1.00 0.00 H new ATOM 326 N ALA A 22 15.597 2.545 13.028 1.00 0.00 N ATOM 327 CA ALA A 22 17.041 2.330 12.944 1.00 0.00 C ATOM 328 C ALA A 22 17.423 0.961 12.394 1.00 0.00 C ATOM 329 O ALA A 22 17.286 -0.061 13.074 1.00 0.00 O ATOM 330 CB ALA A 22 17.669 2.527 14.312 1.00 0.00 C ATOM 0 H ALA A 22 15.282 2.830 13.955 1.00 0.00 H new ATOM 0 HA ALA A 22 17.424 3.066 12.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.745 2.366 14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.475 3.542 14.659 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.239 1.815 15.016 1.00 0.00 H new ATOM 336 N ASN A 23 17.884 0.962 11.147 1.00 0.00 N ATOM 337 CA ASN A 23 18.526 -0.198 10.530 1.00 0.00 C ATOM 338 C ASN A 23 17.593 -1.392 10.395 1.00 0.00 C ATOM 339 O ASN A 23 18.047 -2.534 10.267 1.00 0.00 O ATOM 340 CB ASN A 23 19.790 -0.589 11.304 1.00 0.00 C ATOM 341 CG ASN A 23 20.996 0.250 10.913 1.00 0.00 C ATOM 342 OD1 ASN A 23 22.130 -0.222 10.955 1.00 0.00 O ATOM 343 ND2 ASN A 23 20.768 1.496 10.528 1.00 0.00 N ATOM 0 H ASN A 23 17.823 1.772 10.531 1.00 0.00 H new ATOM 0 HA ASN A 23 18.801 0.100 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.606 -0.479 12.373 1.00 0.00 H new ATOM 0 HB3 ASN A 23 20.010 -1.641 11.125 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.546 2.096 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.814 1.856 10.505 1.00 0.00 H new ATOM 350 N SER A 24 16.296 -1.135 10.401 1.00 0.00 N ATOM 351 CA SER A 24 15.327 -2.166 10.083 1.00 0.00 C ATOM 352 C SER A 24 15.174 -2.228 8.571 1.00 0.00 C ATOM 353 O SER A 24 14.547 -1.361 7.960 1.00 0.00 O ATOM 354 CB SER A 24 13.987 -1.881 10.767 1.00 0.00 C ATOM 355 OG SER A 24 13.531 -0.571 10.480 1.00 0.00 O ATOM 0 H SER A 24 15.892 -0.225 10.622 1.00 0.00 H new ATOM 0 HA SER A 24 15.674 -3.131 10.453 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.245 -2.607 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.093 -2.003 11.845 1.00 0.00 H new ATOM 0 HG SER A 24 13.735 -0.351 9.547 1.00 0.00 H new ATOM 361 N MET A 25 15.790 -3.225 7.965 1.00 0.00 N ATOM 362 CA MET A 25 15.861 -3.306 6.519 1.00 0.00 C ATOM 363 C MET A 25 14.871 -4.330 5.991 1.00 0.00 C ATOM 364 O MET A 25 14.855 -5.482 6.428 1.00 0.00 O ATOM 365 CB MET A 25 17.284 -3.670 6.092 1.00 0.00 C ATOM 366 CG MET A 25 17.488 -3.714 4.587 1.00 0.00 C ATOM 367 SD MET A 25 19.160 -4.218 4.135 1.00 0.00 S ATOM 368 CE MET A 25 19.214 -5.870 4.827 1.00 0.00 C ATOM 0 H MET A 25 16.250 -3.993 8.454 1.00 0.00 H new ATOM 0 HA MET A 25 15.601 -2.335 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.977 -2.946 6.521 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.540 -4.643 6.511 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.771 -4.406 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.282 -2.730 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.998 -6.445 4.334 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.424 -5.810 5.895 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.253 -6.360 4.673 1.00 0.00 H new ATOM 378 N ILE A 26 14.038 -3.904 5.059 1.00 0.00 N ATOM 379 CA ILE A 26 13.029 -4.774 4.488 1.00 0.00 C ATOM 380 C ILE A 26 13.629 -5.589 3.350 1.00 0.00 C ATOM 381 O ILE A 26 13.976 -5.039 2.303 1.00 0.00 O ATOM 382 CB ILE A 26 11.826 -3.971 3.948 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.504 -2.797 4.876 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.612 -4.881 3.808 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.412 -1.888 4.352 1.00 0.00 C ATOM 0 H ILE A 26 14.042 -2.957 4.681 1.00 0.00 H new ATOM 0 HA ILE A 26 12.678 -5.434 5.281 1.00 0.00 H new ATOM 0 HB ILE A 26 12.085 -3.573 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.205 -3.186 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.409 -2.210 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.768 -4.306 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.842 -5.691 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.356 -5.298 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.239 -1.080 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.716 -1.469 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.493 -2.460 4.223 1.00 0.00 H new ATOM 397 N MET A 27 13.776 -6.890 3.562 1.00 0.00 N ATOM 398 CA MET A 27 14.280 -7.768 2.513 1.00 0.00 C ATOM 399 C MET A 27 13.201 -7.962 1.458 1.00 0.00 C ATOM 400 O MET A 27 13.489 -8.132 0.272 1.00 0.00 O ATOM 401 CB MET A 27 14.703 -9.123 3.081 1.00 0.00 C ATOM 402 CG MET A 27 15.366 -10.027 2.050 1.00 0.00 C ATOM 403 SD MET A 27 15.766 -11.660 2.703 1.00 0.00 S ATOM 404 CE MET A 27 14.124 -12.310 3.004 1.00 0.00 C ATOM 0 H MET A 27 13.556 -7.358 4.441 1.00 0.00 H new ATOM 0 HA MET A 27 15.158 -7.304 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.392 -8.963 3.910 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.827 -9.628 3.488 1.00 0.00 H new ATOM 0 HG2 MET A 27 14.704 -10.137 1.191 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.278 -9.551 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 27 14.194 -13.363 3.275 1.00 0.00 H new ATOM 0 HE2 MET A 27 13.657 -11.756 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 27 13.521 -12.207 2.102 1.00 0.00 H new ATOM 414 N THR A 28 11.957 -7.938 1.911 1.00 0.00 N ATOM 415 CA THR A 28 10.813 -8.008 1.026 1.00 0.00 C ATOM 416 C THR A 28 10.699 -6.722 0.210 1.00 0.00 C ATOM 417 O THR A 28 10.784 -5.623 0.759 1.00 0.00 O ATOM 418 CB THR A 28 9.513 -8.205 1.834 1.00 0.00 C ATOM 419 OG1 THR A 28 9.655 -9.318 2.733 1.00 0.00 O ATOM 420 CG2 THR A 28 8.328 -8.434 0.909 1.00 0.00 C ATOM 0 H THR A 28 11.716 -7.870 2.900 1.00 0.00 H new ATOM 0 HA THR A 28 10.954 -8.857 0.357 1.00 0.00 H new ATOM 0 HB THR A 28 9.329 -7.298 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.783 -9.535 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.424 -8.570 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.206 -7.571 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.504 -9.325 0.306 1.00 0.00 H new ATOM 428 N LYS A 29 10.523 -6.852 -1.094 1.00 0.00 N ATOM 429 CA LYS A 29 10.334 -5.684 -1.934 1.00 0.00 C ATOM 430 C LYS A 29 8.923 -5.150 -1.748 1.00 0.00 C ATOM 431 O LYS A 29 7.950 -5.868 -1.983 1.00 0.00 O ATOM 432 CB LYS A 29 10.583 -6.016 -3.410 1.00 0.00 C ATOM 433 CG LYS A 29 10.380 -4.830 -4.345 1.00 0.00 C ATOM 434 CD LYS A 29 11.328 -3.689 -4.014 1.00 0.00 C ATOM 435 CE LYS A 29 11.006 -2.438 -4.815 1.00 0.00 C ATOM 436 NZ LYS A 29 11.943 -1.329 -4.503 1.00 0.00 N ATOM 0 H LYS A 29 10.507 -7.744 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 29 11.056 -4.923 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.602 -6.387 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.915 -6.823 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.537 -5.147 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.350 -4.481 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.269 -3.464 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.353 -3.997 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.053 -2.666 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.985 -2.122 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.692 -0.493 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.879 -1.095 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.915 -1.621 -4.730 1.00 0.00 H new ATOM 450 N LEU A 30 8.823 -3.905 -1.297 1.00 0.00 N ATOM 451 CA LEU A 30 7.532 -3.250 -1.138 1.00 0.00 C ATOM 452 C LEU A 30 6.781 -3.245 -2.465 1.00 0.00 C ATOM 453 O LEU A 30 7.220 -2.623 -3.432 1.00 0.00 O ATOM 454 CB LEU A 30 7.720 -1.818 -0.628 1.00 0.00 C ATOM 455 CG LEU A 30 8.403 -1.699 0.736 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.601 -0.239 1.110 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.589 -2.416 1.802 1.00 0.00 C ATOM 0 H LEU A 30 9.623 -3.329 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 30 6.946 -3.804 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.306 -1.262 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.743 -1.338 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 30 9.383 -2.172 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.088 -0.175 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.224 0.247 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.633 0.259 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.089 -2.322 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.596 -1.970 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.498 -3.471 1.542 1.00 0.00 H new ATOM 469 N PRO A 31 5.654 -3.961 -2.530 1.00 0.00 N ATOM 470 CA PRO A 31 4.891 -4.127 -3.762 1.00 0.00 C ATOM 471 C PRO A 31 3.949 -2.960 -4.035 1.00 0.00 C ATOM 472 O PRO A 31 3.988 -1.933 -3.352 1.00 0.00 O ATOM 473 CB PRO A 31 4.098 -5.400 -3.489 1.00 0.00 C ATOM 474 CG PRO A 31 3.844 -5.372 -2.020 1.00 0.00 C ATOM 475 CD PRO A 31 5.027 -4.674 -1.397 1.00 0.00 C ATOM 0 HA PRO A 31 5.532 -4.173 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.165 -5.416 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.660 -6.288 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.918 -4.842 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.737 -6.382 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.716 -3.984 -0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.716 -5.385 -0.941 1.00 0.00 H new ATOM 483 N SER A 32 3.123 -3.121 -5.050 1.00 0.00 N ATOM 484 CA SER A 32 2.101 -2.148 -5.372 1.00 0.00 C ATOM 485 C SER A 32 0.760 -2.604 -4.814 1.00 0.00 C ATOM 486 O SER A 32 0.507 -3.804 -4.688 1.00 0.00 O ATOM 487 CB SER A 32 2.019 -1.966 -6.888 1.00 0.00 C ATOM 488 OG SER A 32 2.015 -3.222 -7.552 1.00 0.00 O ATOM 0 H SER A 32 3.142 -3.929 -5.673 1.00 0.00 H new ATOM 0 HA SER A 32 2.358 -1.190 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.115 -1.413 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.865 -1.371 -7.233 1.00 0.00 H new ATOM 0 HG SER A 32 1.960 -3.080 -8.520 1.00 0.00 H new ATOM 494 N VAL A 33 -0.085 -1.653 -4.462 1.00 0.00 N ATOM 495 CA VAL A 33 -1.411 -1.970 -3.968 1.00 0.00 C ATOM 496 C VAL A 33 -2.453 -1.606 -5.017 1.00 0.00 C ATOM 497 O VAL A 33 -2.447 -0.501 -5.566 1.00 0.00 O ATOM 498 CB VAL A 33 -1.725 -1.256 -2.630 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.760 -1.709 -1.544 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.673 0.257 -2.783 1.00 0.00 C ATOM 0 H VAL A 33 0.123 -0.656 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.443 -3.042 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.739 -1.530 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.996 -1.197 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.853 -2.786 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.261 -1.469 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.898 0.727 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.677 0.556 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.407 0.573 -3.524 1.00 0.00 H new ATOM 510 N ARG A 34 -3.327 -2.545 -5.319 1.00 0.00 N ATOM 511 CA ARG A 34 -4.354 -2.319 -6.315 1.00 0.00 C ATOM 512 C ARG A 34 -5.702 -2.154 -5.638 1.00 0.00 C ATOM 513 O ARG A 34 -6.252 -3.099 -5.073 1.00 0.00 O ATOM 514 CB ARG A 34 -4.378 -3.459 -7.336 1.00 0.00 C ATOM 515 CG ARG A 34 -5.479 -3.327 -8.373 1.00 0.00 C ATOM 516 CD ARG A 34 -5.064 -3.934 -9.702 1.00 0.00 C ATOM 517 NE ARG A 34 -4.039 -3.128 -10.366 1.00 0.00 N ATOM 518 CZ ARG A 34 -3.146 -3.609 -11.230 1.00 0.00 C ATOM 519 NH1 ARG A 34 -3.114 -4.904 -11.517 1.00 0.00 N ATOM 520 NH2 ARG A 34 -2.276 -2.785 -11.798 1.00 0.00 N ATOM 0 H ARG A 34 -3.347 -3.470 -4.890 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.128 -1.400 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.415 -3.499 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.500 -4.405 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.382 -3.820 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.725 -2.274 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.685 -4.943 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.936 -4.021 -10.351 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.006 -2.131 -10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.777 -5.541 -11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.427 -5.263 -12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.293 -1.790 -11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.589 -3.146 -12.460 1.00 0.00 H new ATOM 534 N VAL A 35 -6.214 -0.937 -5.682 1.00 0.00 N ATOM 535 CA VAL A 35 -7.456 -0.604 -5.011 1.00 0.00 C ATOM 536 C VAL A 35 -8.487 -0.101 -6.014 1.00 0.00 C ATOM 537 O VAL A 35 -8.161 0.668 -6.919 1.00 0.00 O ATOM 538 CB VAL A 35 -7.237 0.459 -3.905 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.339 -0.090 -2.805 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.650 1.743 -4.482 1.00 0.00 C ATOM 0 H VAL A 35 -5.784 -0.158 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.827 -1.514 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.209 0.698 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.197 0.671 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.804 -0.970 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.372 -0.364 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.508 2.470 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.690 1.526 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.332 2.152 -5.227 1.00 0.00 H new ATOM 550 N LYS A 36 -9.722 -0.545 -5.871 1.00 0.00 N ATOM 551 CA LYS A 36 -10.785 -0.068 -6.734 1.00 0.00 C ATOM 552 C LYS A 36 -11.479 1.107 -6.075 1.00 0.00 C ATOM 553 O LYS A 36 -11.747 1.082 -4.874 1.00 0.00 O ATOM 554 CB LYS A 36 -11.793 -1.179 -7.039 1.00 0.00 C ATOM 555 CG LYS A 36 -12.996 -0.703 -7.843 1.00 0.00 C ATOM 556 CD LYS A 36 -13.926 -1.850 -8.189 1.00 0.00 C ATOM 557 CE LYS A 36 -15.240 -1.358 -8.772 1.00 0.00 C ATOM 558 NZ LYS A 36 -16.144 -2.489 -9.114 1.00 0.00 N ATOM 0 H LYS A 36 -10.012 -1.229 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.348 0.250 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.290 -1.974 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.141 -1.611 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.541 0.049 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.654 -0.222 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.437 -2.511 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.124 -2.439 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.733 -0.701 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.043 -0.765 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.031 -2.117 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.683 -3.102 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.351 -3.039 -8.256 1.00 0.00 H new ATOM 572 N THR A 37 -11.746 2.133 -6.855 1.00 0.00 N ATOM 573 CA THR A 37 -12.400 3.320 -6.353 1.00 0.00 C ATOM 574 C THR A 37 -13.653 3.616 -7.166 1.00 0.00 C ATOM 575 O THR A 37 -13.876 2.999 -8.208 1.00 0.00 O ATOM 576 CB THR A 37 -11.445 4.532 -6.387 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.821 4.640 -7.675 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.372 4.410 -5.313 1.00 0.00 C ATOM 0 H THR A 37 -11.517 2.167 -7.848 1.00 0.00 H new ATOM 0 HA THR A 37 -12.685 3.138 -5.317 1.00 0.00 H new ATOM 0 HB THR A 37 -12.035 5.428 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.044 3.852 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.712 5.276 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.843 4.364 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.792 3.503 -5.480 1.00 0.00 H new ATOM 586 N GLU A 38 -14.476 4.528 -6.678 1.00 0.00 N ATOM 587 CA GLU A 38 -15.661 4.955 -7.403 1.00 0.00 C ATOM 588 C GLU A 38 -15.623 6.454 -7.632 1.00 0.00 C ATOM 589 O GLU A 38 -15.520 7.236 -6.680 1.00 0.00 O ATOM 590 CB GLU A 38 -16.939 4.581 -6.651 1.00 0.00 C ATOM 591 CG GLU A 38 -17.213 3.090 -6.617 1.00 0.00 C ATOM 592 CD GLU A 38 -18.559 2.764 -6.010 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.578 2.892 -6.720 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.606 2.363 -4.831 1.00 0.00 O ATOM 0 H GLU A 38 -14.345 4.989 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.666 4.440 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.870 4.952 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.785 5.086 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.169 2.692 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.430 2.593 -6.045 1.00 0.00 H new ATOM 601 N GLY A 39 -15.703 6.848 -8.890 1.00 0.00 N ATOM 602 CA GLY A 39 -15.678 8.250 -9.235 1.00 0.00 C ATOM 603 C GLY A 39 -14.919 8.498 -10.515 1.00 0.00 C ATOM 604 O GLY A 39 -14.905 7.650 -11.410 1.00 0.00 O ATOM 0 H GLY A 39 -15.786 6.215 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.699 8.617 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.219 8.816 -8.424 1.00 0.00 H new ATOM 608 N TYR A 40 -14.289 9.654 -10.606 1.00 0.00 N ATOM 609 CA TYR A 40 -13.496 10.001 -11.774 1.00 0.00 C ATOM 610 C TYR A 40 -12.121 10.480 -11.355 1.00 0.00 C ATOM 611 O TYR A 40 -11.992 11.357 -10.499 1.00 0.00 O ATOM 612 CB TYR A 40 -14.201 11.067 -12.613 1.00 0.00 C ATOM 613 CG TYR A 40 -15.384 10.533 -13.386 1.00 0.00 C ATOM 614 CD1 TYR A 40 -16.652 10.496 -12.823 1.00 0.00 C ATOM 615 CD2 TYR A 40 -15.224 10.052 -14.678 1.00 0.00 C ATOM 616 CE1 TYR A 40 -17.730 9.998 -13.528 1.00 0.00 C ATOM 617 CE2 TYR A 40 -16.295 9.552 -15.388 1.00 0.00 C ATOM 618 CZ TYR A 40 -17.546 9.527 -14.811 1.00 0.00 C ATOM 619 OH TYR A 40 -18.616 9.027 -15.517 1.00 0.00 O ATOM 0 H TYR A 40 -14.310 10.373 -9.882 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.382 9.107 -12.387 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.537 11.871 -11.958 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.486 11.502 -13.311 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.798 10.862 -11.818 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.245 10.070 -15.134 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -18.711 9.978 -13.077 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -16.154 9.181 -16.393 1.00 0.00 H new ATOM 0 HH TYR A 40 -18.316 8.738 -16.404 1.00 0.00 H new ATOM 629 N ASN A 41 -11.093 9.899 -11.958 1.00 0.00 N ATOM 630 CA ASN A 41 -9.717 10.215 -11.598 1.00 0.00 C ATOM 631 C ASN A 41 -8.984 10.846 -12.778 1.00 0.00 C ATOM 632 O ASN A 41 -8.223 10.172 -13.469 1.00 0.00 O ATOM 633 CB ASN A 41 -8.960 8.951 -11.150 1.00 0.00 C ATOM 634 CG ASN A 41 -9.605 8.228 -9.979 1.00 0.00 C ATOM 635 OD1 ASN A 41 -10.820 8.223 -9.815 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.787 7.604 -9.153 1.00 0.00 N ATOM 0 H ASN A 41 -11.186 9.205 -12.700 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.748 10.923 -10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.889 8.264 -11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.942 9.227 -10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.161 7.098 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.781 7.627 -9.317 1.00 0.00 H new ATOM 643 N PRO A 42 -9.219 12.140 -13.049 1.00 0.00 N ATOM 644 CA PRO A 42 -8.572 12.842 -14.148 1.00 0.00 C ATOM 645 C PRO A 42 -7.220 13.422 -13.745 1.00 0.00 C ATOM 646 O PRO A 42 -6.179 13.031 -14.271 1.00 0.00 O ATOM 647 CB PRO A 42 -9.562 13.971 -14.483 1.00 0.00 C ATOM 648 CG PRO A 42 -10.642 13.917 -13.438 1.00 0.00 C ATOM 649 CD PRO A 42 -10.142 13.022 -12.337 1.00 0.00 C ATOM 0 HA PRO A 42 -8.361 12.180 -14.988 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.063 14.940 -14.475 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.980 13.837 -15.480 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.859 14.914 -13.056 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.569 13.528 -13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.641 13.586 -11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.952 12.467 -11.864 1.00 0.00 H new ATOM 657 N SER A 43 -7.249 14.345 -12.795 1.00 0.00 N ATOM 658 CA SER A 43 -6.052 15.034 -12.345 1.00 0.00 C ATOM 659 C SER A 43 -5.401 14.317 -11.166 1.00 0.00 C ATOM 660 O SER A 43 -4.296 14.654 -10.754 1.00 0.00 O ATOM 661 CB SER A 43 -6.422 16.463 -11.960 1.00 0.00 C ATOM 662 OG SER A 43 -7.636 16.479 -11.222 1.00 0.00 O ATOM 0 H SER A 43 -8.102 14.636 -12.316 1.00 0.00 H new ATOM 0 HA SER A 43 -5.325 15.043 -13.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.622 16.905 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.527 17.073 -12.857 1.00 0.00 H new ATOM 0 HG SER A 43 -7.860 17.402 -10.980 1.00 0.00 H new ATOM 668 N ILE A 44 -6.092 13.326 -10.626 1.00 0.00 N ATOM 669 CA ILE A 44 -5.576 12.573 -9.495 1.00 0.00 C ATOM 670 C ILE A 44 -4.835 11.334 -9.991 1.00 0.00 C ATOM 671 O ILE A 44 -5.427 10.449 -10.609 1.00 0.00 O ATOM 672 CB ILE A 44 -6.706 12.183 -8.520 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.403 13.450 -8.009 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.157 11.364 -7.360 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.535 13.185 -7.040 1.00 0.00 C ATOM 0 H ILE A 44 -7.010 13.025 -10.952 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.878 13.207 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.434 11.567 -9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.664 14.087 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.792 14.007 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.970 11.099 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.694 10.455 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.413 11.950 -6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.975 14.132 -6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.296 12.575 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.151 12.657 -6.167 1.00 0.00 H new ATOM 687 N ASN A 45 -3.534 11.289 -9.725 1.00 0.00 N ATOM 688 CA ASN A 45 -2.669 10.259 -10.294 1.00 0.00 C ATOM 689 C ASN A 45 -2.166 9.296 -9.225 1.00 0.00 C ATOM 690 O ASN A 45 -1.976 9.676 -8.066 1.00 0.00 O ATOM 691 CB ASN A 45 -1.467 10.899 -11.000 1.00 0.00 C ATOM 692 CG ASN A 45 -1.868 11.910 -12.059 1.00 0.00 C ATOM 693 OD1 ASN A 45 -2.143 11.553 -13.203 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.878 13.182 -11.690 1.00 0.00 N ATOM 0 H ASN A 45 -3.054 11.954 -9.119 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.265 9.698 -11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.836 11.389 -10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.866 10.116 -11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.120 13.907 -12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.644 13.437 -10.730 1.00 0.00 H new ATOM 701 N VAL A 46 -1.919 8.053 -9.631 1.00 0.00 N ATOM 702 CA VAL A 46 -1.400 7.028 -8.729 1.00 0.00 C ATOM 703 C VAL A 46 0.090 7.236 -8.465 1.00 0.00 C ATOM 704 O VAL A 46 0.700 6.531 -7.664 1.00 0.00 O ATOM 705 CB VAL A 46 -1.619 5.607 -9.293 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.097 5.342 -9.516 1.00 0.00 C ATOM 707 CG2 VAL A 46 -0.841 5.407 -10.582 1.00 0.00 C ATOM 0 H VAL A 46 -2.071 7.730 -10.586 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.952 7.123 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.247 4.892 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.230 4.336 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.630 5.432 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.494 6.068 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.013 4.398 -10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.174 6.132 -11.324 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.223 5.546 -10.390 1.00 0.00 H new ATOM 717 N ASN A 47 0.668 8.204 -9.159 1.00 0.00 N ATOM 718 CA ASN A 47 2.066 8.563 -8.958 1.00 0.00 C ATOM 719 C ASN A 47 2.188 9.557 -7.803 1.00 0.00 C ATOM 720 O ASN A 47 3.287 9.890 -7.359 1.00 0.00 O ATOM 721 CB ASN A 47 2.637 9.174 -10.241 1.00 0.00 C ATOM 722 CG ASN A 47 4.144 9.348 -10.194 1.00 0.00 C ATOM 723 OD1 ASN A 47 4.858 8.544 -9.594 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.633 10.403 -10.823 1.00 0.00 N ATOM 0 H ASN A 47 0.190 8.758 -9.869 1.00 0.00 H new ATOM 0 HA ASN A 47 2.633 7.665 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.376 8.538 -11.087 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.170 10.143 -10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.638 10.576 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.005 11.044 -11.308 1.00 0.00 H new ATOM 731 N GLU A 48 1.042 10.034 -7.330 1.00 0.00 N ATOM 732 CA GLU A 48 1.004 10.993 -6.233 1.00 0.00 C ATOM 733 C GLU A 48 0.343 10.381 -5.004 1.00 0.00 C ATOM 734 O GLU A 48 0.645 10.754 -3.872 1.00 0.00 O ATOM 735 CB GLU A 48 0.257 12.252 -6.663 1.00 0.00 C ATOM 736 CG GLU A 48 0.917 12.972 -7.826 1.00 0.00 C ATOM 737 CD GLU A 48 0.089 14.126 -8.340 1.00 0.00 C ATOM 738 OE1 GLU A 48 -0.780 13.893 -9.207 1.00 0.00 O ATOM 739 OE2 GLU A 48 0.301 15.271 -7.888 1.00 0.00 O ATOM 0 H GLU A 48 0.125 9.771 -7.691 1.00 0.00 H new ATOM 0 HA GLU A 48 2.028 11.261 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.762 11.985 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.188 12.933 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.893 13.341 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.089 12.264 -8.636 1.00 0.00 H new ATOM 746 N LEU A 49 -0.569 9.446 -5.234 1.00 0.00 N ATOM 747 CA LEU A 49 -1.212 8.720 -4.146 1.00 0.00 C ATOM 748 C LEU A 49 -0.339 7.546 -3.724 1.00 0.00 C ATOM 749 O LEU A 49 0.168 6.812 -4.573 1.00 0.00 O ATOM 750 CB LEU A 49 -2.580 8.205 -4.586 1.00 0.00 C ATOM 751 CG LEU A 49 -3.585 9.273 -5.005 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.814 8.620 -5.614 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.973 10.136 -3.814 1.00 0.00 C ATOM 0 H LEU A 49 -0.881 9.172 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.344 9.399 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.438 7.518 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.011 7.628 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.123 9.915 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.526 9.390 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.522 8.040 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.277 7.961 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.691 10.893 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.422 9.511 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.084 10.624 -3.413 1.00 0.00 H new ATOM 765 N PHE A 50 -0.158 7.367 -2.425 1.00 0.00 N ATOM 766 CA PHE A 50 0.689 6.295 -1.935 1.00 0.00 C ATOM 767 C PHE A 50 -0.001 5.479 -0.851 1.00 0.00 C ATOM 768 O PHE A 50 -0.980 5.916 -0.241 1.00 0.00 O ATOM 769 CB PHE A 50 2.007 6.857 -1.388 1.00 0.00 C ATOM 770 CG PHE A 50 2.814 7.614 -2.403 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.434 6.951 -3.449 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.953 8.989 -2.310 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.176 7.644 -4.383 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.695 9.688 -3.242 1.00 0.00 C ATOM 775 CZ PHE A 50 4.307 9.015 -4.281 1.00 0.00 C ATOM 0 H PHE A 50 -0.582 7.944 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 50 0.894 5.638 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.789 7.516 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.608 6.035 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.335 5.879 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.476 9.520 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.654 7.115 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.796 10.760 -3.158 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.887 9.559 -5.012 1.00 0.00 H new ATOM 785 N ALA A 51 0.511 4.281 -0.640 1.00 0.00 N ATOM 786 CA ALA A 51 0.118 3.453 0.484 1.00 0.00 C ATOM 787 C ALA A 51 1.337 3.232 1.357 1.00 0.00 C ATOM 788 O ALA A 51 2.415 2.939 0.847 1.00 0.00 O ATOM 789 CB ALA A 51 -0.453 2.129 0.006 1.00 0.00 C ATOM 0 H ALA A 51 1.213 3.854 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.663 3.952 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.741 1.525 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.328 2.314 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.300 1.597 -0.575 1.00 0.00 H new ATOM 795 N TYR A 52 1.197 3.383 2.655 1.00 0.00 N ATOM 796 CA TYR A 52 2.350 3.297 3.528 1.00 0.00 C ATOM 797 C TYR A 52 2.188 2.214 4.580 1.00 0.00 C ATOM 798 O TYR A 52 1.072 1.864 4.972 1.00 0.00 O ATOM 799 CB TYR A 52 2.630 4.651 4.195 1.00 0.00 C ATOM 800 CG TYR A 52 1.495 5.190 5.042 1.00 0.00 C ATOM 801 CD1 TYR A 52 1.357 4.815 6.371 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.572 6.085 4.514 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.335 5.313 7.151 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.455 6.591 5.292 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.567 6.199 6.608 1.00 0.00 C ATOM 806 OH TYR A 52 -1.584 6.700 7.391 1.00 0.00 O ATOM 0 H TYR A 52 0.310 3.563 3.126 1.00 0.00 H new ATOM 0 HA TYR A 52 3.203 3.027 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.517 4.555 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.864 5.380 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.063 4.121 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.657 6.390 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.243 5.009 8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.164 7.288 4.870 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.134 7.313 6.860 1.00 0.00 H new ATOM 816 N VAL A 53 3.313 1.677 5.013 1.00 0.00 N ATOM 817 CA VAL A 53 3.341 0.754 6.130 1.00 0.00 C ATOM 818 C VAL A 53 4.051 1.396 7.310 1.00 0.00 C ATOM 819 O VAL A 53 5.175 1.902 7.181 1.00 0.00 O ATOM 820 CB VAL A 53 4.021 -0.589 5.772 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.110 -1.433 4.894 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.360 -0.359 5.080 1.00 0.00 C ATOM 0 H VAL A 53 4.227 1.867 4.603 1.00 0.00 H new ATOM 0 HA VAL A 53 2.307 0.531 6.393 1.00 0.00 H new ATOM 0 HB VAL A 53 4.207 -1.128 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.606 -2.373 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.181 -1.639 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.889 -0.893 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.815 -1.320 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.203 0.207 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.021 0.200 5.743 1.00 0.00 H new ATOM 832 N ASP A 54 3.379 1.415 8.445 1.00 0.00 N ATOM 833 CA ASP A 54 3.933 2.012 9.648 1.00 0.00 C ATOM 834 C ASP A 54 4.770 0.975 10.382 1.00 0.00 C ATOM 835 O ASP A 54 4.238 0.108 11.075 1.00 0.00 O ATOM 836 CB ASP A 54 2.812 2.531 10.554 1.00 0.00 C ATOM 837 CG ASP A 54 3.289 3.601 11.513 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.369 3.438 12.112 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.577 4.615 11.673 1.00 0.00 O ATOM 0 H ASP A 54 2.445 1.023 8.561 1.00 0.00 H new ATOM 0 HA ASP A 54 4.564 2.857 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.008 2.933 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.394 1.700 11.121 1.00 0.00 H new ATOM 844 N LEU A 55 6.080 1.055 10.205 1.00 0.00 N ATOM 845 CA LEU A 55 6.988 0.044 10.735 1.00 0.00 C ATOM 846 C LEU A 55 7.496 0.418 12.121 1.00 0.00 C ATOM 847 O LEU A 55 8.535 -0.083 12.565 1.00 0.00 O ATOM 848 CB LEU A 55 8.171 -0.157 9.786 1.00 0.00 C ATOM 849 CG LEU A 55 7.811 -0.637 8.379 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.070 -0.912 7.575 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.944 -1.883 8.439 1.00 0.00 C ATOM 0 H LEU A 55 6.541 1.810 9.698 1.00 0.00 H new ATOM 0 HA LEU A 55 6.429 -0.888 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.712 0.786 9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.855 -0.878 10.233 1.00 0.00 H new ATOM 0 HG LEU A 55 7.244 0.152 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.797 -1.253 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.659 0.002 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.659 -1.683 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.701 -2.206 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.484 -2.678 8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.024 -1.661 8.980 1.00 0.00 H new ATOM 863 N SER A 56 6.770 1.291 12.805 1.00 0.00 N ATOM 864 CA SER A 56 7.120 1.659 14.166 1.00 0.00 C ATOM 865 C SER A 56 7.095 0.424 15.067 1.00 0.00 C ATOM 866 O SER A 56 6.050 -0.203 15.262 1.00 0.00 O ATOM 867 CB SER A 56 6.169 2.741 14.687 1.00 0.00 C ATOM 868 OG SER A 56 4.812 2.409 14.428 1.00 0.00 O ATOM 0 H SER A 56 5.938 1.755 12.440 1.00 0.00 H new ATOM 0 HA SER A 56 8.131 2.067 14.175 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.315 2.870 15.759 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.408 3.695 14.216 1.00 0.00 H new ATOM 0 HG SER A 56 4.445 3.029 13.764 1.00 0.00 H new ATOM 874 N GLY A 57 8.254 0.070 15.598 1.00 0.00 N ATOM 875 CA GLY A 57 8.369 -1.131 16.394 1.00 0.00 C ATOM 876 C GLY A 57 9.716 -1.793 16.211 1.00 0.00 C ATOM 877 O GLY A 57 10.214 -2.457 17.123 1.00 0.00 O ATOM 0 H GLY A 57 9.121 0.596 15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.223 -0.886 17.446 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.579 -1.829 16.117 1.00 0.00 H new ATOM 881 N SER A 58 10.304 -1.593 15.026 1.00 0.00 N ATOM 882 CA SER A 58 11.624 -2.140 14.673 1.00 0.00 C ATOM 883 C SER A 58 11.720 -3.637 14.973 1.00 0.00 C ATOM 884 O SER A 58 12.763 -4.132 15.400 1.00 0.00 O ATOM 885 CB SER A 58 12.748 -1.367 15.386 1.00 0.00 C ATOM 886 OG SER A 58 12.559 -1.331 16.792 1.00 0.00 O ATOM 0 H SER A 58 9.877 -1.045 14.279 1.00 0.00 H new ATOM 0 HA SER A 58 11.748 -2.015 13.597 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.708 -1.833 15.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.789 -0.349 15.000 1.00 0.00 H new ATOM 0 HG SER A 58 11.907 -2.015 17.052 1.00 0.00 H new ATOM 892 N GLU A 59 10.632 -4.357 14.724 1.00 0.00 N ATOM 893 CA GLU A 59 10.583 -5.784 15.001 1.00 0.00 C ATOM 894 C GLU A 59 11.164 -6.586 13.839 1.00 0.00 C ATOM 895 O GLU A 59 10.612 -6.587 12.737 1.00 0.00 O ATOM 896 CB GLU A 59 9.146 -6.226 15.270 1.00 0.00 C ATOM 897 CG GLU A 59 8.499 -5.521 16.449 1.00 0.00 C ATOM 898 CD GLU A 59 7.151 -6.110 16.803 1.00 0.00 C ATOM 899 OE1 GLU A 59 7.118 -7.107 17.555 1.00 0.00 O ATOM 900 OE2 GLU A 59 6.120 -5.587 16.332 1.00 0.00 O ATOM 0 H GLU A 59 9.773 -3.974 14.331 1.00 0.00 H new ATOM 0 HA GLU A 59 11.186 -5.975 15.889 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.547 -6.046 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.134 -7.301 15.450 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.159 -5.585 17.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.380 -4.463 16.216 1.00 0.00 H new ATOM 907 N PRO A 60 12.285 -7.282 14.075 1.00 0.00 N ATOM 908 CA PRO A 60 12.940 -8.099 13.055 1.00 0.00 C ATOM 909 C PRO A 60 12.222 -9.426 12.835 1.00 0.00 C ATOM 910 O PRO A 60 11.602 -9.976 13.752 1.00 0.00 O ATOM 911 CB PRO A 60 14.334 -8.328 13.636 1.00 0.00 C ATOM 912 CG PRO A 60 14.133 -8.293 15.111 1.00 0.00 C ATOM 913 CD PRO A 60 13.005 -7.325 15.361 1.00 0.00 C ATOM 0 HA PRO A 60 12.947 -7.616 12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.746 -9.284 13.314 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.031 -7.555 13.312 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.887 -9.284 15.494 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.042 -7.971 15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.358 -7.665 16.170 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.378 -6.341 15.643 1.00 0.00 H new ATOM 921 N GLY A 61 12.311 -9.935 11.619 1.00 0.00 N ATOM 922 CA GLY A 61 11.648 -11.171 11.275 1.00 0.00 C ATOM 923 C GLY A 61 10.415 -10.930 10.435 1.00 0.00 C ATOM 924 O GLY A 61 10.135 -9.795 10.043 1.00 0.00 O ATOM 0 H GLY A 61 12.837 -9.508 10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.339 -11.815 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.370 -11.700 12.186 1.00 0.00 H new ATOM 928 N GLU A 62 9.676 -11.991 10.165 1.00 0.00 N ATOM 929 CA GLU A 62 8.452 -11.900 9.385 1.00 0.00 C ATOM 930 C GLU A 62 7.301 -11.415 10.262 1.00 0.00 C ATOM 931 O GLU A 62 6.800 -12.154 11.107 1.00 0.00 O ATOM 932 CB GLU A 62 8.124 -13.263 8.774 1.00 0.00 C ATOM 933 CG GLU A 62 9.176 -13.753 7.789 1.00 0.00 C ATOM 934 CD GLU A 62 8.982 -15.202 7.389 1.00 0.00 C ATOM 935 OE1 GLU A 62 7.856 -15.571 6.988 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.951 -15.985 7.488 1.00 0.00 O ATOM 0 H GLU A 62 9.904 -12.935 10.477 1.00 0.00 H new ATOM 0 HA GLU A 62 8.596 -11.180 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.017 -13.995 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.161 -13.203 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.149 -13.128 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.165 -13.633 8.232 1.00 0.00 H new ATOM 943 N HIS A 63 6.907 -10.162 10.081 1.00 0.00 N ATOM 944 CA HIS A 63 5.831 -9.575 10.878 1.00 0.00 C ATOM 945 C HIS A 63 4.745 -9.012 9.975 1.00 0.00 C ATOM 946 O HIS A 63 5.017 -8.604 8.847 1.00 0.00 O ATOM 947 CB HIS A 63 6.370 -8.469 11.795 1.00 0.00 C ATOM 948 CG HIS A 63 7.260 -8.963 12.894 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.874 -9.009 14.214 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.527 -9.432 12.862 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.864 -9.487 14.945 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.879 -9.752 14.147 1.00 0.00 N ATOM 0 H HIS A 63 7.314 -9.531 9.391 1.00 0.00 H new ATOM 0 HA HIS A 63 5.404 -10.364 11.497 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.922 -7.749 11.191 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.528 -7.936 12.236 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.148 -9.536 11.985 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.845 -9.636 16.015 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.779 -10.133 14.438 1.00 0.00 H new ATOM 961 N ASP A 64 3.519 -8.987 10.472 1.00 0.00 N ATOM 962 CA ASP A 64 2.395 -8.486 9.691 1.00 0.00 C ATOM 963 C ASP A 64 2.186 -7.005 9.949 1.00 0.00 C ATOM 964 O ASP A 64 1.999 -6.586 11.092 1.00 0.00 O ATOM 965 CB ASP A 64 1.105 -9.239 10.024 1.00 0.00 C ATOM 966 CG ASP A 64 1.194 -10.720 9.738 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.246 -11.106 8.552 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.187 -11.512 10.705 1.00 0.00 O ATOM 0 H ASP A 64 3.275 -9.306 11.410 1.00 0.00 H new ATOM 0 HA ASP A 64 2.634 -8.645 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.867 -9.092 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.283 -8.812 9.449 1.00 0.00 H new ATOM 973 N TYR A 65 2.222 -6.217 8.889 1.00 0.00 N ATOM 974 CA TYR A 65 2.005 -4.785 8.994 1.00 0.00 C ATOM 975 C TYR A 65 0.826 -4.366 8.126 1.00 0.00 C ATOM 976 O TYR A 65 0.655 -4.865 7.011 1.00 0.00 O ATOM 977 CB TYR A 65 3.270 -4.020 8.595 1.00 0.00 C ATOM 978 CG TYR A 65 4.455 -4.304 9.496 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.580 -3.678 10.729 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.444 -5.204 9.114 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.658 -3.938 11.557 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.524 -5.468 9.935 1.00 0.00 C ATOM 983 CZ TYR A 65 6.626 -4.833 11.155 1.00 0.00 C ATOM 984 OH TYR A 65 7.699 -5.098 11.978 1.00 0.00 O ATOM 0 H TYR A 65 2.401 -6.547 7.941 1.00 0.00 H new ATOM 0 HA TYR A 65 1.774 -4.542 10.031 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.533 -4.278 7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.059 -2.951 8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.823 -2.976 11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.367 -5.705 8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.740 -3.442 12.513 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.285 -6.168 9.623 1.00 0.00 H new ATOM 0 HH TYR A 65 8.155 -5.909 11.670 1.00 0.00 H new ATOM 994 N GLU A 66 0.008 -3.465 8.651 1.00 0.00 N ATOM 995 CA GLU A 66 -1.186 -3.007 7.951 1.00 0.00 C ATOM 996 C GLU A 66 -0.824 -2.163 6.738 1.00 0.00 C ATOM 997 O GLU A 66 0.063 -1.309 6.810 1.00 0.00 O ATOM 998 CB GLU A 66 -2.062 -2.168 8.881 1.00 0.00 C ATOM 999 CG GLU A 66 -2.502 -2.880 10.148 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.292 -1.964 11.060 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -2.671 -1.164 11.787 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.540 -2.022 11.039 1.00 0.00 O ATOM 0 H GLU A 66 0.150 -3.034 9.565 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.729 -3.894 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.516 -1.266 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.948 -1.848 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.110 -3.746 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.626 -3.254 10.678 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.512 -2.402 5.632 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.387 -1.547 4.466 1.00 0.00 C ATOM 1011 C VAL A 67 -2.299 -0.340 4.637 1.00 0.00 C ATOM 1012 O VAL A 67 -3.524 -0.454 4.554 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.745 -2.289 3.161 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.607 -1.364 1.961 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.874 -3.522 2.993 1.00 0.00 C ATOM 0 H VAL A 67 -2.161 -3.180 5.519 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.346 -1.233 4.386 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.785 -2.610 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.864 -1.907 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.279 -0.514 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.579 -1.008 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.141 -4.032 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.174 -3.225 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.029 -4.195 3.836 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.698 0.802 4.918 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.452 2.013 5.181 1.00 0.00 C ATOM 1027 C LYS A 68 -2.403 2.935 3.968 1.00 0.00 C ATOM 1028 O LYS A 68 -1.379 3.555 3.683 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.886 2.710 6.421 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.856 1.813 7.652 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.039 2.422 8.781 1.00 0.00 C ATOM 1032 CE LYS A 68 -0.926 1.473 9.968 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.225 1.290 10.668 1.00 0.00 N ATOM 0 H LYS A 68 -0.686 0.916 4.970 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.495 1.758 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.875 3.055 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.485 3.594 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.875 1.636 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.437 0.843 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.042 2.670 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.502 3.355 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.562 0.505 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.188 1.860 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.179 0.442 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.421 2.123 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.984 1.177 9.967 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.508 2.988 3.242 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.607 3.811 2.045 1.00 0.00 C ATOM 1049 C VAL A 69 -4.132 5.199 2.398 1.00 0.00 C ATOM 1050 O VAL A 69 -5.019 5.332 3.241 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.543 3.160 0.999 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.581 3.973 -0.287 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.116 1.728 0.712 1.00 0.00 C ATOM 0 H VAL A 69 -4.356 2.466 3.463 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.608 3.897 1.617 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.549 3.144 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.247 3.491 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.946 4.977 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.578 4.034 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.787 1.289 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.097 1.723 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.157 1.145 1.632 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.572 6.223 1.764 1.00 0.00 N ATOM 1064 CA GLU A 70 -4.006 7.595 1.994 1.00 0.00 C ATOM 1065 C GLU A 70 -5.431 7.793 1.484 1.00 0.00 C ATOM 1066 O GLU A 70 -5.738 7.456 0.342 1.00 0.00 O ATOM 1067 CB GLU A 70 -3.066 8.577 1.293 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.605 8.394 1.663 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.718 9.469 1.075 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.399 9.396 -0.131 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.336 10.402 1.816 1.00 0.00 O ATOM 0 H GLU A 70 -2.816 6.128 1.086 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.982 7.787 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.175 8.464 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.369 9.595 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.505 8.399 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.266 7.418 1.316 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.321 8.330 2.333 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.713 8.599 1.960 1.00 0.00 C ATOM 1080 C PRO A 71 -7.813 9.621 0.831 1.00 0.00 C ATOM 1081 O PRO A 71 -7.432 10.784 0.996 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.340 9.150 3.247 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.410 8.749 4.340 1.00 0.00 C ATOM 1084 CD PRO A 71 -6.043 8.710 3.724 1.00 0.00 C ATOM 0 HA PRO A 71 -8.215 7.706 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.447 10.234 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.336 8.738 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.447 9.461 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.683 7.775 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.544 9.677 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.397 7.985 4.219 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.330 9.182 -0.310 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.363 10.009 -1.512 1.00 0.00 C ATOM 1094 C ILE A 72 -9.543 10.982 -1.478 1.00 0.00 C ATOM 1095 O ILE A 72 -10.696 10.568 -1.348 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.460 9.159 -2.805 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.382 8.067 -2.846 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.342 10.048 -4.034 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.768 6.784 -2.134 1.00 0.00 C ATOM 0 H ILE A 72 -8.734 8.253 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.424 10.563 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.435 8.672 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.153 7.837 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.468 8.457 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.412 9.436 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.148 10.782 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.382 10.563 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.952 6.066 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.967 6.997 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.663 6.367 -2.596 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.267 12.289 -1.582 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.306 13.317 -1.622 1.00 0.00 C ATOM 1113 C PRO A 73 -11.119 13.267 -2.915 1.00 0.00 C ATOM 1114 O PRO A 73 -10.562 13.099 -4.001 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.527 14.639 -1.534 1.00 0.00 C ATOM 1116 CG PRO A 73 -8.141 14.260 -1.130 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.922 12.873 -1.656 1.00 0.00 C ATOM 0 HA PRO A 73 -11.030 13.186 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.528 15.159 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.978 15.312 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.410 14.954 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.029 14.289 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.539 12.882 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.205 12.318 -1.051 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.441 13.386 -2.772 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.376 13.442 -3.905 1.00 0.00 C ATOM 1127 C ASN A 74 -13.519 12.096 -4.607 1.00 0.00 C ATOM 1128 O ASN A 74 -14.174 11.998 -5.645 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.961 14.519 -4.915 1.00 0.00 C ATOM 1130 CG ASN A 74 -13.068 15.922 -4.353 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -12.293 16.808 -4.712 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -14.035 16.141 -3.474 1.00 0.00 N ATOM 0 H ASN A 74 -12.899 13.447 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.349 13.704 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.934 14.337 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.588 14.439 -5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.156 17.070 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.658 15.381 -3.201 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.918 11.058 -4.041 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.007 9.725 -4.618 1.00 0.00 C ATOM 1141 C ILE A 75 -13.273 8.688 -3.534 1.00 0.00 C ATOM 1142 O ILE A 75 -12.608 8.674 -2.497 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.721 9.343 -5.383 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.434 10.365 -6.484 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.844 7.947 -5.975 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.169 10.081 -7.259 1.00 0.00 C ATOM 0 H ILE A 75 -12.365 11.114 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.837 9.739 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.889 9.345 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.276 10.388 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.362 11.357 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.928 7.697 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.006 7.225 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.687 7.918 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.030 10.847 -8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.317 10.088 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.246 9.104 -7.735 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.254 7.835 -3.776 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.604 6.781 -2.836 1.00 0.00 C ATOM 1160 C LYS A 76 -13.718 5.560 -3.053 1.00 0.00 C ATOM 1161 O LYS A 76 -13.578 5.087 -4.176 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.070 6.386 -3.012 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.500 5.219 -2.139 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.861 4.690 -2.554 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.232 3.436 -1.781 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.440 2.781 -2.345 1.00 0.00 N ATOM 0 H LYS A 76 -14.826 7.852 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.450 7.156 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.698 7.248 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.245 6.130 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.761 4.420 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.533 5.535 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.617 5.458 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.857 4.472 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.396 2.736 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.411 3.692 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.822 2.103 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.159 3.502 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.186 2.278 -3.219 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.123 5.055 -1.984 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.329 3.842 -2.072 1.00 0.00 C ATOM 1182 C ILE A 77 -13.207 2.631 -1.756 1.00 0.00 C ATOM 1183 O ILE A 77 -13.998 2.653 -0.814 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.096 3.883 -1.132 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.205 2.657 -1.363 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.524 3.969 0.327 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.905 2.691 -0.585 1.00 0.00 C ATOM 0 H ILE A 77 -13.175 5.464 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.949 3.761 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.520 4.778 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.759 1.760 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.979 2.579 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.640 3.996 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.111 4.875 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.128 3.098 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.329 1.791 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.329 3.569 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.121 2.737 0.482 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.095 1.593 -2.568 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.957 0.430 -2.431 1.00 0.00 C ATOM 1201 C VAL A 78 -13.194 -0.767 -1.882 1.00 0.00 C ATOM 1202 O VAL A 78 -13.519 -1.289 -0.815 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.581 0.035 -3.785 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.588 -1.091 -3.611 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.222 1.240 -4.452 1.00 0.00 C ATOM 0 H VAL A 78 -12.417 1.531 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.746 0.708 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.784 -0.327 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.014 -1.351 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.089 -1.963 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.384 -0.767 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.656 0.940 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.004 1.640 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.466 2.006 -4.623 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.176 -1.194 -2.609 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.481 -2.432 -2.286 1.00 0.00 C ATOM 1217 C GLU A 79 -10.022 -2.171 -1.964 1.00 0.00 C ATOM 1218 O GLU A 79 -9.321 -1.516 -2.731 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.591 -3.411 -3.453 1.00 0.00 C ATOM 1220 CG GLU A 79 -13.026 -3.765 -3.806 1.00 0.00 C ATOM 1221 CD GLU A 79 -13.127 -4.647 -5.027 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -13.183 -4.109 -6.150 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -13.164 -5.882 -4.873 1.00 0.00 O ATOM 0 H GLU A 79 -11.811 -0.704 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.951 -2.867 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.105 -2.979 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.049 -4.324 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.490 -4.270 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.590 -2.848 -3.978 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.577 -2.683 -0.825 1.00 0.00 N ATOM 1231 CA ILE A 80 -8.195 -2.530 -0.403 1.00 0.00 C ATOM 1232 C ILE A 80 -7.481 -3.876 -0.435 1.00 0.00 C ATOM 1233 O ILE A 80 -7.766 -4.762 0.373 1.00 0.00 O ATOM 1234 CB ILE A 80 -8.097 -1.939 1.021 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.846 -0.604 1.097 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.637 -1.757 1.423 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.856 0.012 2.480 1.00 0.00 C ATOM 0 H ILE A 80 -10.159 -3.211 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.717 -1.840 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.561 -2.636 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.390 0.098 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.874 -0.756 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.586 -1.340 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.131 -2.722 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.149 -1.078 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.404 0.954 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.340 -0.671 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.832 0.197 2.803 1.00 0.00 H new ATOM 1249 N SER A 81 -6.571 -4.034 -1.382 1.00 0.00 N ATOM 1250 CA SER A 81 -5.793 -5.256 -1.493 1.00 0.00 C ATOM 1251 C SER A 81 -4.343 -4.939 -1.841 1.00 0.00 C ATOM 1252 O SER A 81 -4.072 -4.221 -2.807 1.00 0.00 O ATOM 1253 CB SER A 81 -6.412 -6.188 -2.539 1.00 0.00 C ATOM 1254 OG SER A 81 -6.691 -5.502 -3.751 1.00 0.00 O ATOM 0 H SER A 81 -6.353 -3.329 -2.086 1.00 0.00 H new ATOM 0 HA SER A 81 -5.806 -5.765 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.732 -7.016 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.332 -6.619 -2.144 1.00 0.00 H new ATOM 0 HG SER A 81 -6.203 -4.652 -3.766 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.389 -5.459 -1.053 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.674 -6.293 0.117 1.00 0.00 C ATOM 1262 C PRO A 82 -4.055 -5.467 1.347 1.00 0.00 C ATOM 1263 O PRO A 82 -3.761 -4.275 1.423 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.350 -7.037 0.366 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.404 -6.584 -0.707 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.949 -5.292 -1.241 1.00 0.00 C ATOM 0 HA PRO A 82 -4.524 -6.953 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.955 -6.807 1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.497 -8.116 0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.400 -6.445 -0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.330 -7.330 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.565 -4.431 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.690 -5.144 -2.289 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.717 -6.110 2.301 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.108 -5.456 3.546 1.00 0.00 C ATOM 1276 C ARG A 83 -3.930 -5.399 4.513 1.00 0.00 C ATOM 1277 O ARG A 83 -3.611 -4.347 5.073 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.263 -6.217 4.197 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.531 -6.248 3.362 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.501 -7.294 3.883 1.00 0.00 C ATOM 1281 NE ARG A 83 -7.942 -8.643 3.788 1.00 0.00 N ATOM 1282 CZ ARG A 83 -8.385 -9.689 4.487 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -9.384 -9.553 5.349 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -7.823 -10.879 4.332 1.00 0.00 N ATOM 0 H ARG A 83 -4.996 -7.089 2.236 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.427 -4.440 3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.945 -7.241 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.487 -5.762 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.005 -5.267 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.281 -6.464 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.750 -7.075 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.430 -7.244 3.315 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.164 -8.793 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.822 -8.641 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.715 -10.360 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.050 -10.996 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.163 -11.677 4.868 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.297 -6.548 4.711 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.147 -6.659 5.596 1.00 0.00 C ATOM 1300 C VAL A 84 -1.025 -7.400 4.877 1.00 0.00 C ATOM 1301 O VAL A 84 -1.277 -8.390 4.187 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.508 -7.410 6.903 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.301 -7.527 7.820 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.658 -6.720 7.624 1.00 0.00 C ATOM 0 H VAL A 84 -3.565 -7.425 4.265 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.824 -5.653 5.862 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.825 -8.416 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.584 -8.058 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.509 -8.076 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.943 -6.531 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.894 -7.265 8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.370 -5.699 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.535 -6.702 6.976 1.00 0.00 H new ATOM 1314 N VAL A 85 0.200 -6.916 5.015 1.00 0.00 N ATOM 1315 CA VAL A 85 1.340 -7.550 4.372 1.00 0.00 C ATOM 1316 C VAL A 85 2.343 -8.053 5.402 1.00 0.00 C ATOM 1317 O VAL A 85 2.673 -7.356 6.365 1.00 0.00 O ATOM 1318 CB VAL A 85 2.054 -6.601 3.382 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.195 -6.366 2.149 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.400 -5.275 4.046 1.00 0.00 C ATOM 0 H VAL A 85 0.430 -6.088 5.565 1.00 0.00 H new ATOM 0 HA VAL A 85 0.944 -8.396 3.810 1.00 0.00 H new ATOM 0 HB VAL A 85 2.983 -7.079 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.716 -5.696 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.006 -7.317 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.247 -5.917 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.901 -4.628 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.486 -4.793 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.061 -5.454 4.894 1.00 0.00 H new ATOM 1330 N THR A 86 2.802 -9.275 5.207 1.00 0.00 N ATOM 1331 CA THR A 86 3.831 -9.845 6.052 1.00 0.00 C ATOM 1332 C THR A 86 5.206 -9.423 5.540 1.00 0.00 C ATOM 1333 O THR A 86 5.667 -9.903 4.504 1.00 0.00 O ATOM 1334 CB THR A 86 3.734 -11.384 6.080 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.369 -11.786 6.270 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.595 -11.962 7.193 1.00 0.00 C ATOM 0 H THR A 86 2.475 -9.894 4.465 1.00 0.00 H new ATOM 0 HA THR A 86 3.688 -9.475 7.067 1.00 0.00 H new ATOM 0 HB THR A 86 4.097 -11.765 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.993 -11.314 7.042 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.510 -13.049 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.635 -11.680 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.258 -11.572 8.154 1.00 0.00 H new ATOM 1344 N LEU A 87 5.840 -8.503 6.248 1.00 0.00 N ATOM 1345 CA LEU A 87 7.137 -7.986 5.840 1.00 0.00 C ATOM 1346 C LEU A 87 8.234 -8.569 6.713 1.00 0.00 C ATOM 1347 O LEU A 87 8.128 -8.566 7.942 1.00 0.00 O ATOM 1348 CB LEU A 87 7.161 -6.456 5.925 1.00 0.00 C ATOM 1349 CG LEU A 87 6.170 -5.733 5.011 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.276 -4.225 5.197 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.407 -6.110 3.554 1.00 0.00 C ATOM 0 H LEU A 87 5.477 -8.097 7.111 1.00 0.00 H new ATOM 0 HA LEU A 87 7.311 -8.280 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.959 -6.163 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.167 -6.111 5.687 1.00 0.00 H new ATOM 0 HG LEU A 87 5.162 -6.045 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.564 -3.726 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.053 -3.970 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.287 -3.898 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.692 -5.585 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.420 -5.830 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.279 -7.185 3.431 1.00 0.00 H new ATOM 1363 N GLN A 88 9.277 -9.081 6.081 1.00 0.00 N ATOM 1364 CA GLN A 88 10.397 -9.642 6.814 1.00 0.00 C ATOM 1365 C GLN A 88 11.481 -8.590 6.997 1.00 0.00 C ATOM 1366 O GLN A 88 12.183 -8.230 6.046 1.00 0.00 O ATOM 1367 CB GLN A 88 10.964 -10.864 6.093 1.00 0.00 C ATOM 1368 CG GLN A 88 11.998 -11.617 6.916 1.00 0.00 C ATOM 1369 CD GLN A 88 12.596 -12.793 6.173 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.949 -13.403 5.317 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.829 -13.132 6.507 1.00 0.00 N ATOM 0 H GLN A 88 9.371 -9.119 5.066 1.00 0.00 H new ATOM 0 HA GLN A 88 10.040 -9.960 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.147 -11.540 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.417 -10.546 5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.795 -10.932 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.535 -11.972 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.329 -12.601 7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.281 -13.925 6.052 1.00 0.00 H new ATOM 1380 N LEU A 89 11.597 -8.085 8.213 1.00 0.00 N ATOM 1381 CA LEU A 89 12.596 -7.077 8.528 1.00 0.00 C ATOM 1382 C LEU A 89 13.870 -7.727 9.025 1.00 0.00 C ATOM 1383 O LEU A 89 13.852 -8.530 9.954 1.00 0.00 O ATOM 1384 CB LEU A 89 12.074 -6.100 9.582 1.00 0.00 C ATOM 1385 CG LEU A 89 10.917 -5.217 9.129 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.447 -4.326 10.264 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.330 -4.374 7.935 1.00 0.00 C ATOM 0 H LEU A 89 11.010 -8.357 9.001 1.00 0.00 H new ATOM 0 HA LEU A 89 12.810 -6.524 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.756 -6.668 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.897 -5.459 9.900 1.00 0.00 H new ATOM 0 HG LEU A 89 10.090 -5.862 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.621 -3.704 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.113 -4.944 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.269 -3.689 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.493 -3.749 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.173 -3.740 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.621 -5.027 7.112 1.00 0.00 H new ATOM 1399 N GLU A 90 14.972 -7.378 8.402 1.00 0.00 N ATOM 1400 CA GLU A 90 16.263 -7.891 8.812 1.00 0.00 C ATOM 1401 C GLU A 90 17.152 -6.734 9.244 1.00 0.00 C ATOM 1402 O GLU A 90 16.999 -5.612 8.759 1.00 0.00 O ATOM 1403 CB GLU A 90 16.909 -8.693 7.677 1.00 0.00 C ATOM 1404 CG GLU A 90 18.175 -9.423 8.093 1.00 0.00 C ATOM 1405 CD GLU A 90 18.681 -10.377 7.034 1.00 0.00 C ATOM 1406 OE1 GLU A 90 19.220 -9.908 6.011 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.567 -11.605 7.232 1.00 0.00 O ATOM 0 H GLU A 90 15.002 -6.739 7.607 1.00 0.00 H new ATOM 0 HA GLU A 90 16.132 -8.567 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.188 -9.419 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.142 -8.018 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.952 -8.692 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.983 -9.977 9.012 1.00 0.00 H new ATOM 1414 N HIS A 91 18.062 -6.996 10.166 1.00 0.00 N ATOM 1415 CA HIS A 91 18.914 -5.950 10.704 1.00 0.00 C ATOM 1416 C HIS A 91 20.031 -5.596 9.735 1.00 0.00 C ATOM 1417 O HIS A 91 20.634 -6.473 9.116 1.00 0.00 O ATOM 1418 CB HIS A 91 19.499 -6.368 12.050 1.00 0.00 C ATOM 1419 CG HIS A 91 18.591 -6.086 13.205 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.101 -7.060 14.049 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.102 -4.913 13.667 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.349 -6.496 14.976 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.335 -5.194 14.767 1.00 0.00 N ATOM 0 H HIS A 91 18.230 -7.923 10.557 1.00 0.00 H new ATOM 0 HA HIS A 91 18.296 -5.064 10.850 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.723 -7.434 12.025 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.444 -5.847 12.205 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.283 -3.935 13.246 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.833 -7.013 15.771 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.835 -4.508 15.332 1.00 0.00 H new ATOM 1432 N HIS A 92 20.292 -4.301 9.602 1.00 0.00 N ATOM 1433 CA HIS A 92 21.376 -3.825 8.752 1.00 0.00 C ATOM 1434 C HIS A 92 22.723 -4.188 9.371 1.00 0.00 C ATOM 1435 O HIS A 92 23.747 -4.223 8.687 1.00 0.00 O ATOM 1436 CB HIS A 92 21.267 -2.312 8.543 1.00 0.00 C ATOM 1437 CG HIS A 92 22.164 -1.787 7.464 1.00 0.00 C ATOM 1438 ND1 HIS A 92 23.255 -0.982 7.711 1.00 0.00 N ATOM 1439 CD2 HIS A 92 22.115 -1.950 6.121 1.00 0.00 C ATOM 1440 CE1 HIS A 92 23.837 -0.673 6.565 1.00 0.00 C ATOM 1441 NE2 HIS A 92 23.164 -1.248 5.588 1.00 0.00 N ATOM 0 H HIS A 92 19.768 -3.562 10.072 1.00 0.00 H new ATOM 0 HA HIS A 92 21.299 -4.309 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 92 20.235 -2.061 8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 92 21.505 -1.807 9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.385 -2.526 5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 92 24.715 -0.055 6.449 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.388 -1.181 4.595 1.00 0.00 H new