USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot 120:sc= 0.264 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= -0.218 USER MOD Set 1.3: A 96 GLN : amide:sc= -6.99! C(o=-6.9!,f=-6.8!) USER MOD Set 2.1: A 18 MET CE :methyl 178:sc= -3.58! (180deg=-2.65!) USER MOD Set 2.2: A 36 CYS SG : rot -8:sc= -0.284 USER MOD Set 2.3: A 39 MET CE :methyl 178:sc= -2.5 (180deg=-1.9) USER MOD Set 3.1: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 119 TYR OH : rot 85:sc= 0.352 USER MOD Single : A 13 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.022) USER MOD Single : A 19 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-3.2!) USER MOD Single : A 20 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.0093) USER MOD Single : A 26 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 144:sc= -2.47! (180deg=-3.44!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.24) USER MOD Single : A 56 GLN : amide:sc= 0.224 K(o=0.22,f=-4.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0.445 K(o=0.52,f=-1.9!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0334) USER MOD Single : A 80 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.005) USER MOD Single : A 83 MET CE :methyl 165:sc= -0.59 (180deg=-0.988) USER MOD Single : A 85 ASN : amide:sc= -14.1! C(o=-14!,f=-10!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -121:sc= -0.102 (180deg=-4.06!) USER MOD Single : A 99 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.00027) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0757 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 102:sc= -1.43 USER MOD Single : A 110 GLN : amide:sc= -0.0972 K(o=-0.097,f=-2.4!) USER MOD Single : A 113 CYS SG : rot -86:sc= -1.09 USER MOD Single : A 116 GLN : amide:sc= 0.349 X(o=0.35,f=-0.012) USER MOD Single : A 117 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.63) USER MOD Single : A 124 ASN : amide:sc= -10.4! C(o=-10!,f=-8.4!) USER MOD Single : A 125 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.061 -9.411 0.952 1.00 0.00 N ATOM 103 CA ILE A 11 15.377 -8.350 0.004 1.00 0.00 C ATOM 104 C ILE A 11 15.834 -8.924 -1.332 1.00 0.00 C ATOM 105 O ILE A 11 15.280 -8.597 -2.381 1.00 0.00 O ATOM 106 CB ILE A 11 16.473 -7.416 0.550 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.952 -6.633 1.758 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.949 -6.466 -0.538 1.00 0.00 C ATOM 109 CD1 ILE A 11 17.034 -5.889 2.509 1.00 0.00 C ATOM 0 HA ILE A 11 14.462 -7.776 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 11 17.319 -8.023 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.199 -5.920 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.456 -7.322 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.723 -5.812 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.355 -7.041 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.111 -5.863 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.592 -5.357 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.776 -6.598 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.515 -5.175 1.841 1.00 0.00 H new ATOM 121 N GLU A 12 16.847 -9.784 -1.286 1.00 0.00 N ATOM 122 CA GLU A 12 17.377 -10.405 -2.494 1.00 0.00 C ATOM 123 C GLU A 12 16.249 -10.950 -3.365 1.00 0.00 C ATOM 124 O GLU A 12 16.286 -10.832 -4.590 1.00 0.00 O ATOM 125 CB GLU A 12 18.347 -11.532 -2.131 1.00 0.00 C ATOM 126 CG GLU A 12 19.718 -11.039 -1.700 1.00 0.00 C ATOM 127 CD GLU A 12 20.659 -10.834 -2.871 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.450 -9.872 -3.639 1.00 0.00 O ATOM 129 OE2 GLU A 12 21.605 -11.636 -3.019 1.00 0.00 O ATOM 0 H GLU A 12 17.317 -10.066 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 12 17.913 -9.642 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.915 -12.127 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.461 -12.193 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.608 -10.100 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.157 -11.757 -1.007 1.00 0.00 H new ATOM 136 N GLN A 13 15.250 -11.546 -2.725 1.00 0.00 N ATOM 137 CA GLN A 13 14.112 -12.111 -3.441 1.00 0.00 C ATOM 138 C GLN A 13 13.196 -11.009 -3.962 1.00 0.00 C ATOM 139 O GLN A 13 12.653 -11.107 -5.063 1.00 0.00 O ATOM 140 CB GLN A 13 13.327 -13.056 -2.530 1.00 0.00 C ATOM 141 CG GLN A 13 14.091 -14.315 -2.155 1.00 0.00 C ATOM 142 CD GLN A 13 14.121 -15.335 -3.276 1.00 0.00 C ATOM 143 OE1 GLN A 13 13.344 -16.291 -3.281 1.00 0.00 O ATOM 144 NE2 GLN A 13 15.019 -15.138 -4.233 1.00 0.00 N ATOM 0 H GLN A 13 15.205 -11.651 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 13 14.494 -12.674 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.051 -12.524 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.399 -13.339 -3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.113 -14.048 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.634 -14.764 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.643 -14.332 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.085 -15.792 -5.013 1.00 0.00 H new ATOM 153 N LEU A 14 13.027 -9.960 -3.164 1.00 0.00 N ATOM 154 CA LEU A 14 12.176 -8.839 -3.545 1.00 0.00 C ATOM 155 C LEU A 14 12.775 -8.074 -4.721 1.00 0.00 C ATOM 156 O LEU A 14 12.180 -8.003 -5.797 1.00 0.00 O ATOM 157 CB LEU A 14 11.979 -7.896 -2.356 1.00 0.00 C ATOM 158 CG LEU A 14 10.898 -8.299 -1.352 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.222 -7.750 0.029 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.533 -7.813 -1.815 1.00 0.00 C ATOM 0 H LEU A 14 13.468 -9.863 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 14 11.208 -9.237 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.927 -7.811 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.739 -6.905 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 14 10.872 -9.387 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.442 -8.046 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.181 -8.147 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.276 -6.662 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.776 -8.109 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.545 -6.727 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.299 -8.255 -2.783 1.00 0.00 H new ATOM 172 N LEU A 15 13.957 -7.505 -4.509 1.00 0.00 N ATOM 173 CA LEU A 15 14.639 -6.748 -5.552 1.00 0.00 C ATOM 174 C LEU A 15 14.372 -7.351 -6.927 1.00 0.00 C ATOM 175 O LEU A 15 13.806 -6.698 -7.803 1.00 0.00 O ATOM 176 CB LEU A 15 16.144 -6.712 -5.283 1.00 0.00 C ATOM 177 CG LEU A 15 16.594 -5.857 -4.097 1.00 0.00 C ATOM 178 CD1 LEU A 15 18.102 -5.941 -3.920 1.00 0.00 C ATOM 179 CD2 LEU A 15 16.156 -4.412 -4.285 1.00 0.00 C ATOM 0 H LEU A 15 14.462 -7.554 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 15 14.249 -5.730 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.488 -7.733 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.644 -6.346 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 15 16.121 -6.244 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.404 -5.326 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.390 -6.976 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.595 -5.580 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.485 -3.818 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.600 -4.013 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.070 -4.368 -4.361 1.00 0.00 H new ATOM 191 N GLU A 16 14.781 -8.603 -7.108 1.00 0.00 N ATOM 192 CA GLU A 16 14.583 -9.295 -8.376 1.00 0.00 C ATOM 193 C GLU A 16 13.135 -9.175 -8.842 1.00 0.00 C ATOM 194 O GLU A 16 12.868 -8.901 -10.013 1.00 0.00 O ATOM 195 CB GLU A 16 14.967 -10.771 -8.243 1.00 0.00 C ATOM 196 CG GLU A 16 16.398 -10.988 -7.782 1.00 0.00 C ATOM 197 CD GLU A 16 17.403 -10.839 -8.908 1.00 0.00 C ATOM 198 OE1 GLU A 16 17.047 -10.239 -9.944 1.00 0.00 O ATOM 199 OE2 GLU A 16 18.544 -11.321 -8.753 1.00 0.00 O ATOM 0 H GLU A 16 15.251 -9.158 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 16 15.226 -8.825 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.290 -11.252 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.826 -11.263 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.634 -10.274 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.489 -11.984 -7.348 1.00 0.00 H new ATOM 206 N PHE A 17 12.203 -9.382 -7.918 1.00 0.00 N ATOM 207 CA PHE A 17 10.782 -9.299 -8.232 1.00 0.00 C ATOM 208 C PHE A 17 10.395 -7.877 -8.627 1.00 0.00 C ATOM 209 O PHE A 17 9.942 -7.633 -9.745 1.00 0.00 O ATOM 210 CB PHE A 17 9.945 -9.754 -7.035 1.00 0.00 C ATOM 211 CG PHE A 17 8.531 -9.249 -7.066 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.688 -9.571 -8.117 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.044 -8.451 -6.043 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.386 -9.109 -8.148 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.743 -7.986 -6.068 1.00 0.00 C ATOM 216 CZ PHE A 17 5.913 -8.314 -7.123 1.00 0.00 C ATOM 0 H PHE A 17 12.407 -9.609 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 17 10.583 -9.959 -9.076 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.933 -10.843 -7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.424 -9.414 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.053 -10.191 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.689 -8.190 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.739 -9.369 -8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.375 -7.367 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.897 -7.949 -7.146 1.00 0.00 H new ATOM 226 N MET A 18 10.576 -6.942 -7.700 1.00 0.00 N ATOM 227 CA MET A 18 10.246 -5.544 -7.951 1.00 0.00 C ATOM 228 C MET A 18 10.674 -5.128 -9.355 1.00 0.00 C ATOM 229 O MET A 18 10.054 -4.260 -9.971 1.00 0.00 O ATOM 230 CB MET A 18 10.919 -4.645 -6.912 1.00 0.00 C ATOM 231 CG MET A 18 10.139 -4.527 -5.613 1.00 0.00 C ATOM 232 SD MET A 18 11.205 -4.244 -4.186 1.00 0.00 S ATOM 233 CE MET A 18 11.425 -2.469 -4.275 1.00 0.00 C ATOM 0 H MET A 18 10.949 -7.127 -6.769 1.00 0.00 H new ATOM 0 HA MET A 18 9.165 -5.432 -7.872 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.913 -5.036 -6.695 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.053 -3.650 -7.337 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.424 -3.708 -5.696 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.562 -5.439 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.035 -2.135 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.922 -2.210 -5.210 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.452 -1.979 -4.234 1.00 0.00 H new ATOM 243 N HIS A 19 11.736 -5.751 -9.854 1.00 0.00 N ATOM 244 CA HIS A 19 12.246 -5.445 -11.186 1.00 0.00 C ATOM 245 C HIS A 19 11.220 -5.804 -12.256 1.00 0.00 C ATOM 246 O HIS A 19 10.999 -5.042 -13.197 1.00 0.00 O ATOM 247 CB HIS A 19 13.552 -6.199 -11.441 1.00 0.00 C ATOM 248 CG HIS A 19 14.271 -5.751 -12.676 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.679 -5.716 -13.920 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.540 -5.317 -12.852 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.553 -5.281 -14.810 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.691 -5.031 -14.187 1.00 0.00 N ATOM 0 H HIS A 19 12.260 -6.471 -9.357 1.00 0.00 H new ATOM 0 HA HIS A 19 12.438 -4.373 -11.237 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.210 -6.071 -10.581 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.337 -7.264 -11.522 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.294 -5.214 -12.086 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.369 -5.152 -15.866 1.00 0.00 H new ATOM 0 HE2 HIS A 19 16.543 -4.682 -14.626 1.00 0.00 H new ATOM 261 N GLN A 20 10.598 -6.969 -12.106 1.00 0.00 N ATOM 262 CA GLN A 20 9.597 -7.428 -13.061 1.00 0.00 C ATOM 263 C GLN A 20 8.453 -6.426 -13.175 1.00 0.00 C ATOM 264 O GLN A 20 7.973 -6.138 -14.272 1.00 0.00 O ATOM 265 CB GLN A 20 9.053 -8.796 -12.644 1.00 0.00 C ATOM 266 CG GLN A 20 10.045 -9.931 -12.843 1.00 0.00 C ATOM 267 CD GLN A 20 10.190 -10.330 -14.298 1.00 0.00 C ATOM 268 OE1 GLN A 20 9.441 -11.168 -14.802 1.00 0.00 O ATOM 269 NE2 GLN A 20 11.158 -9.731 -14.982 1.00 0.00 N ATOM 0 H GLN A 20 10.770 -7.612 -11.333 1.00 0.00 H new ATOM 0 HA GLN A 20 10.076 -7.517 -14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.763 -8.758 -11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.150 -9.009 -13.217 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.018 -9.631 -12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.723 -10.796 -12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.755 -9.042 -14.524 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.304 -9.959 -15.965 1.00 0.00 H new ATOM 278 N LEU A 21 8.020 -5.899 -12.035 1.00 0.00 N ATOM 279 CA LEU A 21 6.931 -4.928 -12.007 1.00 0.00 C ATOM 280 C LEU A 21 7.391 -3.578 -12.546 1.00 0.00 C ATOM 281 O LEU A 21 8.494 -3.110 -12.260 1.00 0.00 O ATOM 282 CB LEU A 21 6.402 -4.767 -10.580 1.00 0.00 C ATOM 283 CG LEU A 21 6.057 -6.061 -9.843 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.094 -5.783 -8.699 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.464 -7.081 -10.804 1.00 0.00 C ATOM 0 H LEU A 21 8.406 -6.127 -11.119 1.00 0.00 H new ATOM 0 HA LEU A 21 6.130 -5.299 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.148 -4.227 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.510 -4.142 -10.613 1.00 0.00 H new ATOM 0 HG LEU A 21 6.975 -6.475 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.860 -6.716 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.554 -5.088 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.177 -5.346 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.225 -7.996 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.556 -6.676 -11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.186 -7.303 -11.590 1.00 0.00 H new ATOM 297 N PRO A 22 6.526 -2.933 -13.344 1.00 0.00 N ATOM 298 CA PRO A 22 6.821 -1.626 -13.938 1.00 0.00 C ATOM 299 C PRO A 22 6.846 -0.510 -12.899 1.00 0.00 C ATOM 300 O PRO A 22 7.757 0.317 -12.885 1.00 0.00 O ATOM 301 CB PRO A 22 5.667 -1.415 -14.922 1.00 0.00 C ATOM 302 CG PRO A 22 4.551 -2.238 -14.378 1.00 0.00 C ATOM 303 CD PRO A 22 5.195 -3.431 -13.727 1.00 0.00 C ATOM 0 HA PRO A 22 7.806 -1.603 -14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.389 -0.363 -14.986 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.941 -1.734 -15.928 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.963 -1.670 -13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.871 -2.546 -15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.628 -3.771 -12.860 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.264 -4.275 -14.413 1.00 0.00 H new ATOM 311 N ALA A 23 5.839 -0.493 -12.031 1.00 0.00 N ATOM 312 CA ALA A 23 5.748 0.521 -10.988 1.00 0.00 C ATOM 313 C ALA A 23 7.029 0.577 -10.163 1.00 0.00 C ATOM 314 O ALA A 23 7.451 1.647 -9.724 1.00 0.00 O ATOM 315 CB ALA A 23 4.551 0.246 -10.089 1.00 0.00 C ATOM 0 H ALA A 23 5.076 -1.170 -12.030 1.00 0.00 H new ATOM 0 HA ALA A 23 5.614 1.490 -11.468 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.495 1.011 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.638 0.264 -10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.662 -0.734 -9.624 1.00 0.00 H new ATOM 321 N PHE A 24 7.645 -0.583 -9.955 1.00 0.00 N ATOM 322 CA PHE A 24 8.878 -0.666 -9.180 1.00 0.00 C ATOM 323 C PHE A 24 10.091 -0.370 -10.057 1.00 0.00 C ATOM 324 O PHE A 24 11.162 -0.026 -9.557 1.00 0.00 O ATOM 325 CB PHE A 24 9.016 -2.053 -8.550 1.00 0.00 C ATOM 326 CG PHE A 24 8.310 -2.185 -7.231 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.496 -1.243 -6.233 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.458 -3.252 -6.990 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.847 -1.363 -5.018 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.807 -3.377 -5.778 1.00 0.00 C ATOM 331 CZ PHE A 24 7.001 -2.431 -4.791 1.00 0.00 C ATOM 0 H PHE A 24 7.310 -1.478 -10.312 1.00 0.00 H new ATOM 0 HA PHE A 24 8.832 0.082 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.621 -2.798 -9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.074 -2.277 -8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.155 -0.405 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.301 -3.994 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.001 -0.622 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.147 -4.214 -5.603 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.492 -2.526 -3.843 1.00 0.00 H new ATOM 341 N ALA A 25 9.914 -0.506 -11.367 1.00 0.00 N ATOM 342 CA ALA A 25 10.993 -0.252 -12.314 1.00 0.00 C ATOM 343 C ALA A 25 11.161 1.243 -12.566 1.00 0.00 C ATOM 344 O ALA A 25 12.255 1.709 -12.881 1.00 0.00 O ATOM 345 CB ALA A 25 10.731 -0.984 -13.622 1.00 0.00 C ATOM 0 H ALA A 25 9.034 -0.791 -11.797 1.00 0.00 H new ATOM 0 HA ALA A 25 11.920 -0.627 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.545 -0.785 -14.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.669 -2.056 -13.433 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.792 -0.636 -14.052 1.00 0.00 H new ATOM 351 N ASN A 26 10.070 1.988 -12.426 1.00 0.00 N ATOM 352 CA ASN A 26 10.097 3.431 -12.641 1.00 0.00 C ATOM 353 C ASN A 26 11.278 4.067 -11.914 1.00 0.00 C ATOM 354 O ASN A 26 11.941 4.956 -12.446 1.00 0.00 O ATOM 355 CB ASN A 26 8.788 4.063 -12.162 1.00 0.00 C ATOM 356 CG ASN A 26 7.704 4.018 -13.221 1.00 0.00 C ATOM 357 OD1 ASN A 26 7.987 3.866 -14.409 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.454 4.151 -12.793 1.00 0.00 N ATOM 0 H ASN A 26 9.156 1.617 -12.165 1.00 0.00 H new ATOM 0 HA ASN A 26 10.211 3.613 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.442 3.543 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.971 5.099 -11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.682 4.129 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.266 4.275 -11.798 1.00 0.00 H new ATOM 365 N MET A 27 11.534 3.603 -10.695 1.00 0.00 N ATOM 366 CA MET A 27 12.637 4.126 -9.895 1.00 0.00 C ATOM 367 C MET A 27 13.928 3.371 -10.191 1.00 0.00 C ATOM 368 O MET A 27 13.961 2.487 -11.049 1.00 0.00 O ATOM 369 CB MET A 27 12.305 4.028 -8.405 1.00 0.00 C ATOM 370 CG MET A 27 11.390 2.864 -8.061 1.00 0.00 C ATOM 371 SD MET A 27 9.644 3.276 -8.239 1.00 0.00 S ATOM 372 CE MET A 27 9.106 3.212 -6.532 1.00 0.00 C ATOM 0 H MET A 27 10.994 2.867 -10.240 1.00 0.00 H new ATOM 0 HA MET A 27 12.781 5.174 -10.160 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.232 3.930 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.834 4.957 -8.084 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.627 2.018 -8.706 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.582 2.547 -7.036 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.043 3.445 -6.477 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.280 2.213 -6.133 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.668 3.939 -5.946 1.00 0.00 H new ATOM 382 N THR A 28 14.992 3.724 -9.477 1.00 0.00 N ATOM 383 CA THR A 28 16.287 3.081 -9.664 1.00 0.00 C ATOM 384 C THR A 28 16.483 1.941 -8.671 1.00 0.00 C ATOM 385 O THR A 28 16.026 2.013 -7.531 1.00 0.00 O ATOM 386 CB THR A 28 17.442 4.087 -9.507 1.00 0.00 C ATOM 387 OG1 THR A 28 18.648 3.537 -10.050 1.00 0.00 O ATOM 388 CG2 THR A 28 17.655 4.444 -8.044 1.00 0.00 C ATOM 0 H THR A 28 14.983 4.452 -8.763 1.00 0.00 H new ATOM 0 HA THR A 28 16.298 2.682 -10.678 1.00 0.00 H new ATOM 0 HB THR A 28 17.180 4.995 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.377 4.184 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.476 5.156 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.745 4.890 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.897 3.543 -7.481 1.00 0.00 H new ATOM 396 N MET A 29 17.166 0.889 -9.112 1.00 0.00 N ATOM 397 CA MET A 29 17.424 -0.266 -8.260 1.00 0.00 C ATOM 398 C MET A 29 17.681 0.167 -6.820 1.00 0.00 C ATOM 399 O MET A 29 17.172 -0.440 -5.879 1.00 0.00 O ATOM 400 CB MET A 29 18.621 -1.059 -8.789 1.00 0.00 C ATOM 401 CG MET A 29 18.711 -2.468 -8.227 1.00 0.00 C ATOM 402 SD MET A 29 17.533 -3.598 -8.993 1.00 0.00 S ATOM 403 CE MET A 29 17.651 -5.007 -7.894 1.00 0.00 C ATOM 0 H MET A 29 17.550 0.813 -10.054 1.00 0.00 H new ATOM 0 HA MET A 29 16.540 -0.903 -8.276 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.559 -1.113 -9.876 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.538 -0.521 -8.548 1.00 0.00 H new ATOM 0 HG2 MET A 29 19.722 -2.849 -8.373 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.534 -2.438 -7.152 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.669 -5.468 -7.787 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.350 -5.734 -8.308 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.005 -4.678 -6.917 1.00 0.00 H new ATOM 413 N SER A 30 18.476 1.221 -6.657 1.00 0.00 N ATOM 414 CA SER A 30 18.804 1.732 -5.331 1.00 0.00 C ATOM 415 C SER A 30 17.538 2.006 -4.526 1.00 0.00 C ATOM 416 O SER A 30 17.347 1.457 -3.441 1.00 0.00 O ATOM 417 CB SER A 30 19.636 3.011 -5.447 1.00 0.00 C ATOM 418 OG SER A 30 20.308 3.293 -4.232 1.00 0.00 O ATOM 0 H SER A 30 18.904 1.737 -7.426 1.00 0.00 H new ATOM 0 HA SER A 30 19.387 0.973 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.363 2.904 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.989 3.847 -5.711 1.00 0.00 H new ATOM 0 HG SER A 30 20.834 4.114 -4.332 1.00 0.00 H new ATOM 424 N VAL A 31 16.674 2.860 -5.066 1.00 0.00 N ATOM 425 CA VAL A 31 15.425 3.208 -4.399 1.00 0.00 C ATOM 426 C VAL A 31 14.690 1.960 -3.924 1.00 0.00 C ATOM 427 O VAL A 31 14.147 1.929 -2.820 1.00 0.00 O ATOM 428 CB VAL A 31 14.498 4.013 -5.329 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.171 4.300 -4.643 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.172 5.306 -5.764 1.00 0.00 C ATOM 0 H VAL A 31 16.816 3.323 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 31 15.686 3.823 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 31 14.298 3.416 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.529 4.870 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.683 3.360 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.348 4.877 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.503 5.862 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.403 5.909 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.094 5.074 -6.298 1.00 0.00 H new ATOM 440 N ARG A 32 14.677 0.931 -4.766 1.00 0.00 N ATOM 441 CA ARG A 32 14.007 -0.321 -4.432 1.00 0.00 C ATOM 442 C ARG A 32 14.407 -0.796 -3.038 1.00 0.00 C ATOM 443 O ARG A 32 13.617 -0.723 -2.096 1.00 0.00 O ATOM 444 CB ARG A 32 14.346 -1.396 -5.466 1.00 0.00 C ATOM 445 CG ARG A 32 14.066 -0.973 -6.899 1.00 0.00 C ATOM 446 CD ARG A 32 14.445 -2.065 -7.886 1.00 0.00 C ATOM 447 NE ARG A 32 14.527 -1.562 -9.255 1.00 0.00 N ATOM 448 CZ ARG A 32 14.619 -2.347 -10.322 1.00 0.00 C ATOM 449 NH1 ARG A 32 14.641 -3.665 -10.180 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.690 -1.814 -11.535 1.00 0.00 N ATOM 0 H ARG A 32 15.122 0.940 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 32 12.932 -0.143 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.400 -1.658 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.773 -2.296 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.008 -0.733 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.624 -0.065 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.405 -2.495 -7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.709 -2.868 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 32 14.513 -0.552 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.587 -4.079 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.712 -4.265 -11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.674 -0.800 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.761 -2.418 -12.354 1.00 0.00 H new ATOM 464 N ARG A 33 15.637 -1.283 -2.915 1.00 0.00 N ATOM 465 CA ARG A 33 16.141 -1.772 -1.637 1.00 0.00 C ATOM 466 C ARG A 33 15.684 -0.872 -0.492 1.00 0.00 C ATOM 467 O ARG A 33 15.105 -1.343 0.486 1.00 0.00 O ATOM 468 CB ARG A 33 17.669 -1.847 -1.662 1.00 0.00 C ATOM 469 CG ARG A 33 18.250 -2.783 -0.615 1.00 0.00 C ATOM 470 CD ARG A 33 19.647 -2.352 -0.196 1.00 0.00 C ATOM 471 NE ARG A 33 20.376 -3.429 0.469 1.00 0.00 N ATOM 472 CZ ARG A 33 21.661 -3.354 0.795 1.00 0.00 C ATOM 473 NH1 ARG A 33 22.355 -2.258 0.521 1.00 0.00 N ATOM 474 NH2 ARG A 33 22.254 -4.376 1.399 1.00 0.00 N ATOM 0 H ARG A 33 16.303 -1.350 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 33 15.738 -2.771 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.992 -2.175 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.076 -0.847 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.597 -2.804 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.285 -3.798 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.204 -2.025 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.576 -1.495 0.474 1.00 0.00 H new ATOM 0 HE ARG A 33 19.870 -4.285 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.902 -1.470 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.342 -2.203 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.723 -5.220 1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.241 -4.318 1.649 1.00 0.00 H new ATOM 488 N GLU A 34 15.949 0.424 -0.623 1.00 0.00 N ATOM 489 CA GLU A 34 15.566 1.388 0.402 1.00 0.00 C ATOM 490 C GLU A 34 14.116 1.179 0.831 1.00 0.00 C ATOM 491 O GLU A 34 13.787 1.273 2.014 1.00 0.00 O ATOM 492 CB GLU A 34 15.756 2.816 -0.114 1.00 0.00 C ATOM 493 CG GLU A 34 17.198 3.153 -0.454 1.00 0.00 C ATOM 494 CD GLU A 34 18.163 2.772 0.652 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.806 2.942 1.836 1.00 0.00 O ATOM 496 OE2 GLU A 34 19.275 2.303 0.332 1.00 0.00 O ATOM 0 H GLU A 34 16.427 0.830 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 34 16.209 1.234 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.140 2.958 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.396 3.517 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.481 2.637 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.281 4.222 -0.651 1.00 0.00 H new ATOM 503 N LEU A 35 13.254 0.896 -0.139 1.00 0.00 N ATOM 504 CA LEU A 35 11.838 0.674 0.136 1.00 0.00 C ATOM 505 C LEU A 35 11.633 -0.613 0.928 1.00 0.00 C ATOM 506 O LEU A 35 10.906 -0.633 1.922 1.00 0.00 O ATOM 507 CB LEU A 35 11.048 0.613 -1.172 1.00 0.00 C ATOM 508 CG LEU A 35 10.953 1.919 -1.961 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.660 1.638 -3.426 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.884 2.825 -1.365 1.00 0.00 C ATOM 0 H LEU A 35 13.510 0.815 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 35 11.474 1.509 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.503 -0.143 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.037 0.274 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 35 11.913 2.431 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.596 2.580 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.460 1.029 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.714 1.104 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.830 3.750 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.919 2.320 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.137 3.054 -0.330 1.00 0.00 H new ATOM 522 N CYS A 36 12.280 -1.685 0.483 1.00 0.00 N ATOM 523 CA CYS A 36 12.169 -2.977 1.152 1.00 0.00 C ATOM 524 C CYS A 36 12.403 -2.834 2.652 1.00 0.00 C ATOM 525 O CYS A 36 11.911 -3.636 3.446 1.00 0.00 O ATOM 526 CB CYS A 36 13.171 -3.968 0.559 1.00 0.00 C ATOM 527 SG CYS A 36 12.899 -4.337 -1.190 1.00 0.00 S ATOM 0 H CYS A 36 12.886 -1.685 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 36 11.159 -3.355 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 36 14.177 -3.568 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.125 -4.897 1.127 1.00 0.00 H new ATOM 0 HG CYS A 36 11.782 -3.798 -1.579 1.00 0.00 H new ATOM 533 N SER A 37 13.160 -1.810 3.033 1.00 0.00 N ATOM 534 CA SER A 37 13.464 -1.565 4.438 1.00 0.00 C ATOM 535 C SER A 37 12.254 -0.985 5.163 1.00 0.00 C ATOM 536 O SER A 37 12.042 -1.245 6.348 1.00 0.00 O ATOM 537 CB SER A 37 14.655 -0.613 4.565 1.00 0.00 C ATOM 538 OG SER A 37 15.879 -1.327 4.593 1.00 0.00 O ATOM 0 H SER A 37 13.574 -1.137 2.388 1.00 0.00 H new ATOM 0 HA SER A 37 13.719 -2.518 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.657 0.085 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.555 -0.020 5.474 1.00 0.00 H new ATOM 0 HG SER A 37 16.624 -0.696 4.673 1.00 0.00 H new ATOM 544 N VAL A 38 11.462 -0.197 4.443 1.00 0.00 N ATOM 545 CA VAL A 38 10.272 0.420 5.015 1.00 0.00 C ATOM 546 C VAL A 38 9.003 -0.151 4.393 1.00 0.00 C ATOM 547 O VAL A 38 7.928 0.438 4.500 1.00 0.00 O ATOM 548 CB VAL A 38 10.284 1.948 4.821 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.458 2.572 5.560 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.329 2.296 3.341 1.00 0.00 C ATOM 0 H VAL A 38 11.624 0.029 3.462 1.00 0.00 H new ATOM 0 HA VAL A 38 10.281 0.197 6.082 1.00 0.00 H new ATOM 0 HB VAL A 38 9.364 2.357 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.449 3.652 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.376 2.352 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.391 2.160 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.337 3.379 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.231 1.875 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.452 1.883 2.843 1.00 0.00 H new ATOM 560 N MET A 39 9.136 -1.302 3.742 1.00 0.00 N ATOM 561 CA MET A 39 7.999 -1.954 3.103 1.00 0.00 C ATOM 562 C MET A 39 7.182 -2.743 4.121 1.00 0.00 C ATOM 563 O MET A 39 7.728 -3.543 4.882 1.00 0.00 O ATOM 564 CB MET A 39 8.478 -2.882 1.985 1.00 0.00 C ATOM 565 CG MET A 39 8.576 -2.201 0.630 1.00 0.00 C ATOM 566 SD MET A 39 8.469 -3.366 -0.742 1.00 0.00 S ATOM 567 CE MET A 39 8.923 -2.313 -2.117 1.00 0.00 C ATOM 0 H MET A 39 10.019 -1.802 3.643 1.00 0.00 H new ATOM 0 HA MET A 39 7.362 -1.180 2.674 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.455 -3.284 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.795 -3.728 1.909 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.778 -1.464 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.519 -1.658 0.568 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.937 -2.900 -3.035 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.196 -1.506 -2.213 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.912 -1.891 -1.941 1.00 0.00 H new ATOM 577 N ILE A 40 5.874 -2.513 4.130 1.00 0.00 N ATOM 578 CA ILE A 40 4.984 -3.204 5.055 1.00 0.00 C ATOM 579 C ILE A 40 4.372 -4.442 4.407 1.00 0.00 C ATOM 580 O ILE A 40 4.064 -4.445 3.215 1.00 0.00 O ATOM 581 CB ILE A 40 3.851 -2.281 5.542 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.432 -1.011 6.166 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.965 -3.011 6.540 1.00 0.00 C ATOM 584 CD1 ILE A 40 3.422 0.105 6.316 1.00 0.00 C ATOM 0 H ILE A 40 5.407 -1.854 3.508 1.00 0.00 H new ATOM 0 HA ILE A 40 5.589 -3.505 5.910 1.00 0.00 H new ATOM 0 HB ILE A 40 3.240 -1.996 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.843 -1.253 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.261 -0.660 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.169 -2.346 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.528 -3.889 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.562 -3.322 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.904 0.974 6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.029 0.374 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.605 -0.228 6.956 1.00 0.00 H new ATOM 596 N PHE A 41 4.198 -5.494 5.201 1.00 0.00 N ATOM 597 CA PHE A 41 3.622 -6.738 4.706 1.00 0.00 C ATOM 598 C PHE A 41 2.141 -6.832 5.062 1.00 0.00 C ATOM 599 O PHE A 41 1.771 -6.806 6.235 1.00 0.00 O ATOM 600 CB PHE A 41 4.374 -7.939 5.286 1.00 0.00 C ATOM 601 CG PHE A 41 5.777 -8.074 4.768 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.018 -8.221 3.412 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.855 -8.054 5.638 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.308 -8.346 2.932 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.148 -8.178 5.164 1.00 0.00 C ATOM 606 CZ PHE A 41 8.375 -8.325 3.809 1.00 0.00 C ATOM 0 H PHE A 41 4.448 -5.509 6.190 1.00 0.00 H new ATOM 0 HA PHE A 41 3.718 -6.747 3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.403 -7.850 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.821 -8.850 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.188 -8.238 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.684 -7.940 6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.482 -8.460 1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.980 -8.160 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.384 -8.423 3.437 1.00 0.00 H new ATOM 616 N GLU A 42 1.299 -6.940 4.039 1.00 0.00 N ATOM 617 CA GLU A 42 -0.142 -7.035 4.243 1.00 0.00 C ATOM 618 C GLU A 42 -0.770 -8.006 3.247 1.00 0.00 C ATOM 619 O GLU A 42 -0.429 -8.005 2.064 1.00 0.00 O ATOM 620 CB GLU A 42 -0.791 -5.656 4.107 1.00 0.00 C ATOM 621 CG GLU A 42 -0.775 -4.846 5.393 1.00 0.00 C ATOM 622 CD GLU A 42 -1.708 -5.408 6.448 1.00 0.00 C ATOM 623 OE1 GLU A 42 -1.283 -6.313 7.196 1.00 0.00 O ATOM 624 OE2 GLU A 42 -2.865 -4.943 6.525 1.00 0.00 O ATOM 0 H GLU A 42 1.589 -6.964 3.062 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.316 -7.412 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.274 -5.096 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.823 -5.780 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.240 -4.819 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.059 -3.817 5.173 1.00 0.00 H new ATOM 631 N VAL A 43 -1.688 -8.833 3.734 1.00 0.00 N ATOM 632 CA VAL A 43 -2.364 -9.809 2.888 1.00 0.00 C ATOM 633 C VAL A 43 -3.848 -9.898 3.229 1.00 0.00 C ATOM 634 O VAL A 43 -4.227 -9.912 4.400 1.00 0.00 O ATOM 635 CB VAL A 43 -1.732 -11.207 3.027 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.567 -12.246 2.295 1.00 0.00 C ATOM 637 CG2 VAL A 43 -0.302 -11.198 2.509 1.00 0.00 C ATOM 0 H VAL A 43 -1.981 -8.847 4.711 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.250 -9.468 1.859 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.710 -11.474 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.105 -13.227 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.572 -12.269 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.624 -11.988 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.130 -12.193 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.298 -10.910 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.288 -10.484 3.083 1.00 0.00 H new ATOM 647 N VAL A 44 -4.684 -9.959 2.198 1.00 0.00 N ATOM 648 CA VAL A 44 -6.127 -10.048 2.387 1.00 0.00 C ATOM 649 C VAL A 44 -6.624 -11.471 2.157 1.00 0.00 C ATOM 650 O VAL A 44 -6.406 -12.050 1.094 1.00 0.00 O ATOM 651 CB VAL A 44 -6.878 -9.094 1.440 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.376 -9.162 1.691 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.366 -7.671 1.602 1.00 0.00 C ATOM 0 H VAL A 44 -4.387 -9.948 1.222 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.330 -9.757 3.418 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.692 -9.408 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.890 -8.481 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.728 -10.179 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.586 -8.874 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.908 -7.010 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.521 -7.344 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.302 -7.638 1.367 1.00 0.00 H new ATOM 663 N GLU A 45 -7.295 -12.027 3.161 1.00 0.00 N ATOM 664 CA GLU A 45 -7.823 -13.383 3.067 1.00 0.00 C ATOM 665 C GLU A 45 -9.239 -13.377 2.497 1.00 0.00 C ATOM 666 O GLU A 45 -9.586 -14.213 1.663 1.00 0.00 O ATOM 667 CB GLU A 45 -7.818 -14.053 4.443 1.00 0.00 C ATOM 668 CG GLU A 45 -6.477 -14.658 4.820 1.00 0.00 C ATOM 669 CD GLU A 45 -6.291 -16.057 4.264 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.010 -16.974 4.712 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.426 -16.233 3.381 1.00 0.00 O ATOM 0 H GLU A 45 -7.486 -11.560 4.048 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.181 -13.950 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.100 -13.318 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.577 -14.835 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.677 -14.016 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.389 -14.688 5.906 1.00 0.00 H new ATOM 678 N GLN A 46 -10.050 -12.429 2.954 1.00 0.00 N ATOM 679 CA GLN A 46 -11.428 -12.315 2.491 1.00 0.00 C ATOM 680 C GLN A 46 -11.507 -11.479 1.218 1.00 0.00 C ATOM 681 O GLN A 46 -11.033 -10.344 1.179 1.00 0.00 O ATOM 682 CB GLN A 46 -12.304 -11.693 3.579 1.00 0.00 C ATOM 683 CG GLN A 46 -12.952 -12.716 4.498 1.00 0.00 C ATOM 684 CD GLN A 46 -13.900 -13.643 3.764 1.00 0.00 C ATOM 685 OE1 GLN A 46 -15.012 -13.254 3.403 1.00 0.00 O ATOM 686 NE2 GLN A 46 -13.465 -14.877 3.537 1.00 0.00 N ATOM 0 H GLN A 46 -9.777 -11.729 3.644 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.794 -13.317 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.698 -11.013 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.084 -11.095 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.175 -13.307 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.496 -12.197 5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.537 -15.157 3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.059 -15.545 3.046 1.00 0.00 H new ATOM 695 N ALA A 47 -12.109 -12.048 0.179 1.00 0.00 N ATOM 696 CA ALA A 47 -12.251 -11.355 -1.096 1.00 0.00 C ATOM 697 C ALA A 47 -13.216 -10.181 -0.976 1.00 0.00 C ATOM 698 O ALA A 47 -13.895 -10.022 0.038 1.00 0.00 O ATOM 699 CB ALA A 47 -12.722 -12.321 -2.173 1.00 0.00 C ATOM 0 H ALA A 47 -12.506 -12.987 0.195 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.275 -10.962 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.824 -11.790 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.994 -13.125 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.686 -12.742 -1.888 1.00 0.00 H new ATOM 705 N GLY A 48 -13.272 -9.358 -2.020 1.00 0.00 N ATOM 706 CA GLY A 48 -14.157 -8.208 -2.011 1.00 0.00 C ATOM 707 C GLY A 48 -13.841 -7.241 -0.887 1.00 0.00 C ATOM 708 O GLY A 48 -14.628 -6.342 -0.592 1.00 0.00 O ATOM 0 H GLY A 48 -12.720 -9.468 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.081 -7.688 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.188 -8.548 -1.914 1.00 0.00 H new ATOM 712 N ALA A 49 -12.686 -7.428 -0.255 1.00 0.00 N ATOM 713 CA ALA A 49 -12.268 -6.565 0.842 1.00 0.00 C ATOM 714 C ALA A 49 -11.981 -5.151 0.351 1.00 0.00 C ATOM 715 O ALA A 49 -11.378 -4.962 -0.707 1.00 0.00 O ATOM 716 CB ALA A 49 -11.041 -7.145 1.532 1.00 0.00 C ATOM 0 H ALA A 49 -12.024 -8.169 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.086 -6.512 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.740 -6.490 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.279 -8.133 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.225 -7.228 0.814 1.00 0.00 H new ATOM 722 N ILE A 50 -12.416 -4.161 1.123 1.00 0.00 N ATOM 723 CA ILE A 50 -12.204 -2.764 0.765 1.00 0.00 C ATOM 724 C ILE A 50 -10.779 -2.325 1.081 1.00 0.00 C ATOM 725 O ILE A 50 -10.350 -2.357 2.235 1.00 0.00 O ATOM 726 CB ILE A 50 -13.190 -1.839 1.503 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.629 -2.165 1.098 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.869 -0.381 1.209 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.040 -3.585 1.417 1.00 0.00 C ATOM 0 H ILE A 50 -12.917 -4.300 2.000 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.376 -2.684 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.088 -2.005 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.305 -1.477 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.744 -1.994 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.574 0.261 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.855 -0.157 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.947 -0.200 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.071 -3.745 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.388 -4.280 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.958 -3.755 2.490 1.00 0.00 H new ATOM 741 N ILE A 51 -10.050 -1.913 0.050 1.00 0.00 N ATOM 742 CA ILE A 51 -8.673 -1.464 0.218 1.00 0.00 C ATOM 743 C ILE A 51 -8.619 0.008 0.613 1.00 0.00 C ATOM 744 O ILE A 51 -7.839 0.401 1.482 1.00 0.00 O ATOM 745 CB ILE A 51 -7.853 -1.669 -1.069 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.383 -2.872 -1.851 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.380 -1.855 -0.734 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.489 -4.133 -1.023 1.00 0.00 C ATOM 0 H ILE A 51 -10.390 -1.881 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.239 -2.068 1.015 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.955 -0.781 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.366 -2.628 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.727 -3.060 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.813 -1.999 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.011 -0.971 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.260 -2.729 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.872 -4.944 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.504 -4.402 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.168 -3.964 -0.187 1.00 0.00 H new ATOM 760 N LEU A 52 -9.454 0.818 -0.028 1.00 0.00 N ATOM 761 CA LEU A 52 -9.504 2.247 0.257 1.00 0.00 C ATOM 762 C LEU A 52 -10.914 2.794 0.057 1.00 0.00 C ATOM 763 O LEU A 52 -11.525 2.591 -0.991 1.00 0.00 O ATOM 764 CB LEU A 52 -8.521 3.001 -0.640 1.00 0.00 C ATOM 765 CG LEU A 52 -7.070 2.519 -0.600 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.282 3.099 -1.764 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.421 2.892 0.725 1.00 0.00 C ATOM 0 H LEU A 52 -10.106 0.509 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.222 2.394 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.876 2.937 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.541 4.055 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.065 1.433 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.252 2.745 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.734 2.781 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.294 4.187 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.389 2.541 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.438 3.975 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.971 2.427 1.543 1.00 0.00 H new ATOM 779 N GLU A 53 -11.423 3.490 1.070 1.00 0.00 N ATOM 780 CA GLU A 53 -12.760 4.066 1.003 1.00 0.00 C ATOM 781 C GLU A 53 -12.714 5.484 0.439 1.00 0.00 C ATOM 782 O GLU A 53 -11.754 6.221 0.662 1.00 0.00 O ATOM 783 CB GLU A 53 -13.404 4.079 2.392 1.00 0.00 C ATOM 784 CG GLU A 53 -13.985 2.737 2.805 1.00 0.00 C ATOM 785 CD GLU A 53 -14.397 2.705 4.264 1.00 0.00 C ATOM 786 OE1 GLU A 53 -13.526 2.925 5.131 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.590 2.459 4.539 1.00 0.00 O ATOM 0 H GLU A 53 -10.930 3.668 1.945 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.361 3.447 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.658 4.384 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.195 4.829 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.851 2.513 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.249 1.954 2.622 1.00 0.00 H new ATOM 794 N ASP A 54 -13.759 5.857 -0.292 1.00 0.00 N ATOM 795 CA ASP A 54 -13.839 7.185 -0.888 1.00 0.00 C ATOM 796 C ASP A 54 -13.770 8.267 0.185 1.00 0.00 C ATOM 797 O ASP A 54 -14.727 8.480 0.929 1.00 0.00 O ATOM 798 CB ASP A 54 -15.131 7.329 -1.693 1.00 0.00 C ATOM 799 CG ASP A 54 -16.354 7.460 -0.806 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.409 6.773 0.235 1.00 0.00 O ATOM 801 OD2 ASP A 54 -17.256 8.250 -1.154 1.00 0.00 O ATOM 0 H ASP A 54 -14.562 5.258 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.988 7.308 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.058 8.205 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.249 6.463 -2.344 1.00 0.00 H new ATOM 806 N GLY A 55 -12.631 8.948 0.260 1.00 0.00 N ATOM 807 CA GLY A 55 -12.458 9.999 1.246 1.00 0.00 C ATOM 808 C GLY A 55 -11.523 9.594 2.368 1.00 0.00 C ATOM 809 O GLY A 55 -11.586 10.145 3.466 1.00 0.00 O ATOM 0 H GLY A 55 -11.825 8.791 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.068 10.891 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.429 10.264 1.664 1.00 0.00 H new ATOM 813 N GLN A 56 -10.654 8.627 2.091 1.00 0.00 N ATOM 814 CA GLN A 56 -9.704 8.146 3.088 1.00 0.00 C ATOM 815 C GLN A 56 -8.332 8.779 2.881 1.00 0.00 C ATOM 816 O GLN A 56 -7.608 8.422 1.952 1.00 0.00 O ATOM 817 CB GLN A 56 -9.591 6.622 3.022 1.00 0.00 C ATOM 818 CG GLN A 56 -8.615 6.041 4.033 1.00 0.00 C ATOM 819 CD GLN A 56 -8.521 4.530 3.950 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.338 3.880 3.298 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.520 3.962 4.613 1.00 0.00 N ATOM 0 H GLN A 56 -10.588 8.162 1.186 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.072 8.433 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.576 6.185 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.278 6.332 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.628 6.472 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.925 6.328 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.865 4.539 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.406 2.949 4.594 1.00 0.00 H new ATOM 830 N GLU A 57 -7.982 9.720 3.752 1.00 0.00 N ATOM 831 CA GLU A 57 -6.696 10.403 3.663 1.00 0.00 C ATOM 832 C GLU A 57 -5.570 9.409 3.396 1.00 0.00 C ATOM 833 O GLU A 57 -5.034 8.797 4.321 1.00 0.00 O ATOM 834 CB GLU A 57 -6.414 11.176 4.953 1.00 0.00 C ATOM 835 CG GLU A 57 -5.195 12.079 4.867 1.00 0.00 C ATOM 836 CD GLU A 57 -4.626 12.423 6.230 1.00 0.00 C ATOM 837 OE1 GLU A 57 -4.124 11.505 6.911 1.00 0.00 O ATOM 838 OE2 GLU A 57 -4.684 13.610 6.614 1.00 0.00 O ATOM 0 H GLU A 57 -8.570 10.027 4.527 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.743 11.105 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.286 11.780 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.273 10.467 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.426 11.589 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.465 12.998 4.347 1.00 0.00 H new ATOM 845 N LEU A 58 -5.216 9.253 2.125 1.00 0.00 N ATOM 846 CA LEU A 58 -4.153 8.333 1.734 1.00 0.00 C ATOM 847 C LEU A 58 -2.795 8.835 2.214 1.00 0.00 C ATOM 848 O LEU A 58 -2.355 9.921 1.838 1.00 0.00 O ATOM 849 CB LEU A 58 -4.137 8.157 0.215 1.00 0.00 C ATOM 850 CG LEU A 58 -5.496 7.932 -0.449 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.495 8.484 -1.866 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.851 6.452 -0.451 1.00 0.00 C ATOM 0 H LEU A 58 -5.649 9.751 1.348 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.350 7.369 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.680 9.042 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.493 7.311 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.253 8.465 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.470 8.315 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.287 9.554 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.727 7.980 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.821 6.311 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.092 5.897 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.894 6.087 0.575 1.00 0.00 H new ATOM 864 N ASP A 59 -2.134 8.036 3.045 1.00 0.00 N ATOM 865 CA ASP A 59 -0.824 8.397 3.573 1.00 0.00 C ATOM 866 C ASP A 59 0.191 7.288 3.314 1.00 0.00 C ATOM 867 O ASP A 59 1.379 7.441 3.600 1.00 0.00 O ATOM 868 CB ASP A 59 -0.916 8.680 5.073 1.00 0.00 C ATOM 869 CG ASP A 59 -1.134 7.421 5.888 1.00 0.00 C ATOM 870 OD1 ASP A 59 -2.165 6.748 5.677 1.00 0.00 O ATOM 871 OD2 ASP A 59 -0.274 7.108 6.737 1.00 0.00 O ATOM 0 H ASP A 59 -2.484 7.134 3.367 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.489 9.299 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.000 9.169 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.734 9.376 5.259 1.00 0.00 H new ATOM 876 N SER A 60 -0.285 6.172 2.772 1.00 0.00 N ATOM 877 CA SER A 60 0.580 5.035 2.478 1.00 0.00 C ATOM 878 C SER A 60 0.411 4.583 1.031 1.00 0.00 C ATOM 879 O SER A 60 -0.692 4.611 0.486 1.00 0.00 O ATOM 880 CB SER A 60 0.272 3.875 3.427 1.00 0.00 C ATOM 881 OG SER A 60 0.192 4.321 4.770 1.00 0.00 O ATOM 0 H SER A 60 -1.265 6.030 2.527 1.00 0.00 H new ATOM 0 HA SER A 60 1.614 5.349 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.669 3.406 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.047 3.114 3.339 1.00 0.00 H new ATOM 0 HG SER A 60 -0.007 3.561 5.356 1.00 0.00 H new ATOM 887 N TRP A 61 1.512 4.166 0.416 1.00 0.00 N ATOM 888 CA TRP A 61 1.486 3.707 -0.968 1.00 0.00 C ATOM 889 C TRP A 61 1.153 2.221 -1.043 1.00 0.00 C ATOM 890 O TRP A 61 1.816 1.395 -0.416 1.00 0.00 O ATOM 891 CB TRP A 61 2.833 3.975 -1.641 1.00 0.00 C ATOM 892 CG TRP A 61 2.842 3.650 -3.104 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.852 3.914 -4.008 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.889 2.999 -3.831 1.00 0.00 C ATOM 895 NE1 TRP A 61 2.222 3.466 -5.253 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.467 2.902 -5.172 1.00 0.00 C ATOM 897 CE3 TRP A 61 5.143 2.491 -3.481 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.255 2.316 -6.159 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.923 1.909 -4.462 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.478 1.826 -5.788 1.00 0.00 C ATOM 0 H TRP A 61 2.433 4.136 0.853 1.00 0.00 H new ATOM 0 HA TRP A 61 0.708 4.261 -1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.095 5.025 -1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.604 3.388 -1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.917 4.403 -3.778 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.660 3.541 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.496 2.552 -2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.913 2.250 -7.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.893 1.511 -4.202 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.112 1.367 -6.532 1.00 0.00 H new ATOM 911 N TYR A 62 0.124 1.888 -1.814 1.00 0.00 N ATOM 912 CA TYR A 62 -0.298 0.501 -1.968 1.00 0.00 C ATOM 913 C TYR A 62 0.068 -0.029 -3.352 1.00 0.00 C ATOM 914 O TYR A 62 -0.142 0.643 -4.362 1.00 0.00 O ATOM 915 CB TYR A 62 -1.806 0.376 -1.745 1.00 0.00 C ATOM 916 CG TYR A 62 -2.258 0.859 -0.385 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.198 2.205 -0.048 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.747 -0.033 0.562 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.609 2.650 1.193 1.00 0.00 C ATOM 920 CE2 TYR A 62 -3.162 0.403 1.806 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.091 1.745 2.117 1.00 0.00 C ATOM 922 OH TYR A 62 -3.503 2.185 3.354 1.00 0.00 O ATOM 0 H TYR A 62 -0.433 2.560 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 62 0.224 -0.096 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.327 0.945 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.098 -0.667 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.823 2.916 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.804 -1.084 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.554 3.700 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.540 -0.303 2.531 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.815 1.423 3.885 1.00 0.00 H new ATOM 932 N VAL A 63 0.617 -1.239 -3.389 1.00 0.00 N ATOM 933 CA VAL A 63 1.011 -1.862 -4.647 1.00 0.00 C ATOM 934 C VAL A 63 0.553 -3.314 -4.708 1.00 0.00 C ATOM 935 O VAL A 63 0.831 -4.102 -3.803 1.00 0.00 O ATOM 936 CB VAL A 63 2.537 -1.807 -4.846 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.933 -2.508 -6.136 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.024 -0.366 -4.842 1.00 0.00 C ATOM 0 H VAL A 63 0.799 -1.807 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 63 0.528 -1.298 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 63 3.013 -2.329 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.015 -2.459 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.620 -3.551 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.449 -2.017 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.105 -0.347 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.542 0.183 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.775 0.100 -3.888 1.00 0.00 H new ATOM 948 N ILE A 64 -0.149 -3.663 -5.781 1.00 0.00 N ATOM 949 CA ILE A 64 -0.644 -5.022 -5.961 1.00 0.00 C ATOM 950 C ILE A 64 0.506 -6.017 -6.064 1.00 0.00 C ATOM 951 O ILE A 64 1.264 -6.008 -7.036 1.00 0.00 O ATOM 952 CB ILE A 64 -1.524 -5.138 -7.220 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.633 -4.085 -7.193 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.116 -6.536 -7.325 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.256 -3.829 -8.548 1.00 0.00 C ATOM 0 H ILE A 64 -0.388 -3.023 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.246 -5.257 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.902 -4.961 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.410 -4.405 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.226 -3.150 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.735 -6.603 -8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.311 -7.268 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.726 -6.740 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.034 -3.072 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.490 -3.478 -9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.693 -4.753 -8.928 1.00 0.00 H new ATOM 967 N LEU A 65 0.631 -6.875 -5.058 1.00 0.00 N ATOM 968 CA LEU A 65 1.689 -7.879 -5.036 1.00 0.00 C ATOM 969 C LEU A 65 1.232 -9.167 -5.714 1.00 0.00 C ATOM 970 O LEU A 65 1.971 -9.765 -6.494 1.00 0.00 O ATOM 971 CB LEU A 65 2.113 -8.170 -3.595 1.00 0.00 C ATOM 972 CG LEU A 65 2.944 -7.086 -2.908 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.176 -7.438 -1.447 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.269 -6.892 -3.630 1.00 0.00 C ATOM 0 H LEU A 65 0.013 -6.896 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 65 2.543 -7.484 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.215 -8.343 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.684 -9.098 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 65 2.390 -6.148 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.769 -6.655 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.217 -7.525 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.709 -8.387 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.847 -6.117 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.829 -7.827 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.081 -6.593 -4.661 1.00 0.00 H new ATOM 986 N ASN A 66 0.008 -9.587 -5.411 1.00 0.00 N ATOM 987 CA ASN A 66 -0.550 -10.803 -5.992 1.00 0.00 C ATOM 988 C ASN A 66 -2.074 -10.742 -6.024 1.00 0.00 C ATOM 989 O ASN A 66 -2.714 -10.437 -5.019 1.00 0.00 O ATOM 990 CB ASN A 66 -0.093 -12.028 -5.197 1.00 0.00 C ATOM 991 CG ASN A 66 -0.589 -13.327 -5.802 1.00 0.00 C ATOM 992 OD1 ASN A 66 -0.070 -13.789 -6.819 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.599 -13.922 -5.179 1.00 0.00 N ATOM 0 H ASN A 66 -0.617 -9.103 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.187 -10.886 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.996 -12.043 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.453 -11.947 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.976 -14.798 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.998 -13.503 -4.339 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.648 -11.035 -7.186 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.092 -11.008 -7.328 1.00 0.00 C ATOM 1002 C GLY A 67 -4.572 -9.836 -8.161 1.00 0.00 C ATOM 1003 O GLY A 67 -3.779 -9.176 -8.833 1.00 0.00 O ATOM 0 H GLY A 67 -2.139 -11.291 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.426 -11.938 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.550 -10.959 -6.340 1.00 0.00 H new ATOM 1007 N THR A 68 -5.875 -9.576 -8.119 1.00 0.00 N ATOM 1008 CA THR A 68 -6.460 -8.477 -8.878 1.00 0.00 C ATOM 1009 C THR A 68 -7.323 -7.592 -7.986 1.00 0.00 C ATOM 1010 O THR A 68 -7.934 -8.066 -7.029 1.00 0.00 O ATOM 1011 CB THR A 68 -7.315 -8.996 -10.049 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.477 -9.621 -11.028 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.097 -7.861 -10.693 1.00 0.00 C ATOM 0 H THR A 68 -6.545 -10.111 -7.567 1.00 0.00 H new ATOM 0 HA THR A 68 -5.632 -7.890 -9.275 1.00 0.00 H new ATOM 0 HB THR A 68 -8.023 -9.727 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.028 -9.950 -11.769 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.693 -8.252 -11.517 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.755 -7.407 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.403 -7.110 -11.071 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.369 -6.303 -8.308 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.159 -5.350 -7.537 1.00 0.00 C ATOM 1023 C VAL A 69 -9.009 -4.474 -8.450 1.00 0.00 C ATOM 1024 O VAL A 69 -8.545 -4.019 -9.496 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.262 -4.449 -6.668 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.578 -5.265 -5.581 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.236 -3.730 -7.531 1.00 0.00 C ATOM 0 H VAL A 69 -6.869 -5.895 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.812 -5.933 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.888 -3.699 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.948 -4.611 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.332 -5.730 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.963 -6.039 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.610 -3.097 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.612 -4.463 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.749 -3.113 -8.269 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.254 -4.242 -8.048 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.168 -3.419 -8.832 1.00 0.00 C ATOM 1039 C GLU A 70 -11.470 -2.106 -8.115 1.00 0.00 C ATOM 1040 O GLU A 70 -11.620 -2.074 -6.893 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.470 -4.178 -9.099 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.273 -3.618 -10.261 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.472 -4.478 -10.610 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.446 -4.483 -9.827 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.438 -5.146 -11.664 1.00 0.00 O ATOM 0 H GLU A 70 -10.653 -4.612 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.686 -3.191 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.237 -5.224 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.085 -4.156 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.612 -2.612 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.627 -3.530 -11.135 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.556 -1.026 -8.883 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.840 0.289 -8.323 1.00 0.00 C ATOM 1054 C ILE A 71 -13.175 0.826 -8.828 1.00 0.00 C ATOM 1055 O ILE A 71 -13.469 0.762 -10.021 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.729 1.300 -8.666 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.356 0.715 -8.329 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -10.953 2.607 -7.921 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.205 1.619 -8.712 1.00 0.00 C ATOM 0 H ILE A 71 -11.433 -1.036 -9.896 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.887 0.167 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.762 1.506 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.309 0.513 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.242 -0.241 -8.839 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.160 3.311 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.917 3.028 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.943 2.420 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.263 1.141 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.227 1.801 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.295 2.567 -8.182 1.00 0.00 H new ATOM 1071 N SER A 72 -13.978 1.358 -7.912 1.00 0.00 N ATOM 1072 CA SER A 72 -15.283 1.905 -8.264 1.00 0.00 C ATOM 1073 C SER A 72 -15.372 3.381 -7.888 1.00 0.00 C ATOM 1074 O SER A 72 -14.881 3.797 -6.839 1.00 0.00 O ATOM 1075 CB SER A 72 -16.394 1.120 -7.564 1.00 0.00 C ATOM 1076 OG SER A 72 -16.621 -0.124 -8.204 1.00 0.00 O ATOM 0 H SER A 72 -13.748 1.422 -6.920 1.00 0.00 H new ATOM 0 HA SER A 72 -15.409 1.815 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.124 0.952 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.313 1.706 -7.564 1.00 0.00 H new ATOM 0 HG SER A 72 -17.334 -0.607 -7.737 1.00 0.00 H new ATOM 1082 N HIS A 73 -16.003 4.168 -8.754 1.00 0.00 N ATOM 1083 CA HIS A 73 -16.159 5.598 -8.514 1.00 0.00 C ATOM 1084 C HIS A 73 -17.618 5.947 -8.234 1.00 0.00 C ATOM 1085 O HIS A 73 -18.541 5.283 -8.705 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.653 6.397 -9.716 1.00 0.00 C ATOM 1087 CG HIS A 73 -14.170 6.315 -9.908 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -13.285 7.186 -9.310 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.418 5.457 -10.636 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -12.052 6.869 -9.663 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -12.105 5.823 -10.467 1.00 0.00 N ATOM 0 H HIS A 73 -16.414 3.840 -9.628 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.567 5.860 -7.637 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.148 6.035 -10.617 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.938 7.442 -9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.782 4.637 -11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.154 7.379 -9.348 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -11.301 5.362 -10.893 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.832 7.012 -7.447 1.00 0.00 N ATOM 1101 CA PRO A 74 -19.176 7.472 -7.087 1.00 0.00 C ATOM 1102 C PRO A 74 -19.920 8.076 -8.273 1.00 0.00 C ATOM 1103 O PRO A 74 -21.141 8.228 -8.240 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.912 8.540 -6.022 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.536 9.032 -6.313 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.778 7.850 -6.850 1.00 0.00 C ATOM 0 HA PRO A 74 -19.808 6.653 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.642 9.347 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.979 8.123 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.558 9.844 -7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.063 9.423 -5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -16.036 8.151 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.244 7.322 -6.060 1.00 0.00 H new ATOM 1114 N ASP A 75 -19.177 8.417 -9.320 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.766 9.002 -10.518 1.00 0.00 C ATOM 1116 C ASP A 75 -20.476 7.939 -11.350 1.00 0.00 C ATOM 1117 O ASP A 75 -21.603 8.139 -11.801 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.689 9.690 -11.359 1.00 0.00 C ATOM 1119 CG ASP A 75 -17.798 8.699 -12.081 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -18.208 8.204 -13.152 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -16.691 8.418 -11.576 1.00 0.00 O ATOM 0 H ASP A 75 -18.165 8.298 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.501 9.744 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.165 10.345 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.078 10.322 -10.715 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.807 6.807 -11.550 1.00 0.00 N ATOM 1127 CA GLY A 76 -20.389 5.729 -12.328 1.00 0.00 C ATOM 1128 C GLY A 76 -19.368 5.030 -13.204 1.00 0.00 C ATOM 1129 O GLY A 76 -19.691 4.565 -14.297 1.00 0.00 O ATOM 0 H GLY A 76 -18.873 6.618 -11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.843 5.003 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.188 6.127 -12.953 1.00 0.00 H new ATOM 1133 N LYS A 77 -18.131 4.956 -12.725 1.00 0.00 N ATOM 1134 CA LYS A 77 -17.059 4.309 -13.471 1.00 0.00 C ATOM 1135 C LYS A 77 -16.337 3.281 -12.605 1.00 0.00 C ATOM 1136 O LYS A 77 -16.273 3.419 -11.384 1.00 0.00 O ATOM 1137 CB LYS A 77 -16.061 5.353 -13.979 1.00 0.00 C ATOM 1138 CG LYS A 77 -15.292 4.910 -15.211 1.00 0.00 C ATOM 1139 CD LYS A 77 -14.646 6.090 -15.919 1.00 0.00 C ATOM 1140 CE LYS A 77 -14.391 5.786 -17.387 1.00 0.00 C ATOM 1141 NZ LYS A 77 -13.491 4.613 -17.563 1.00 0.00 N ATOM 0 H LYS A 77 -17.846 5.337 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.503 3.794 -14.323 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.597 6.275 -14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.353 5.584 -13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.524 4.192 -14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.966 4.397 -15.897 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.291 6.965 -15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.705 6.339 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.340 5.594 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.948 6.659 -17.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.233 4.521 -18.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.630 4.748 -16.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.980 3.750 -17.251 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.795 2.250 -13.247 1.00 0.00 N ATOM 1156 CA VAL A 78 -15.076 1.200 -12.536 1.00 0.00 C ATOM 1157 C VAL A 78 -13.799 0.813 -13.272 1.00 0.00 C ATOM 1158 O VAL A 78 -13.846 0.336 -14.406 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.951 -0.054 -12.353 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.232 -1.088 -11.499 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.293 0.317 -11.739 1.00 0.00 C ATOM 0 H VAL A 78 -15.841 2.120 -14.258 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.819 1.601 -11.555 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.135 -0.493 -13.334 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.866 -1.967 -11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.299 -1.376 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.015 -0.663 -10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.898 -0.581 -11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.132 0.781 -10.766 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.811 1.017 -12.394 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.660 1.020 -12.620 1.00 0.00 N ATOM 1172 CA GLU A 79 -11.369 0.693 -13.214 1.00 0.00 C ATOM 1173 C GLU A 79 -10.988 -0.756 -12.924 1.00 0.00 C ATOM 1174 O GLU A 79 -11.637 -1.431 -12.125 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.285 1.633 -12.683 1.00 0.00 C ATOM 1176 CG GLU A 79 -10.128 2.904 -13.501 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.638 4.075 -12.670 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -9.836 4.052 -11.437 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -9.058 5.014 -13.254 1.00 0.00 O ATOM 0 H GLU A 79 -12.605 1.413 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.452 0.820 -14.293 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.521 1.901 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.333 1.103 -12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.427 2.723 -14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.085 3.160 -13.955 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.932 -1.227 -13.578 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.465 -2.596 -13.392 1.00 0.00 C ATOM 1188 C ASN A 80 -7.941 -2.660 -13.425 1.00 0.00 C ATOM 1189 O ASN A 80 -7.321 -2.431 -14.465 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.048 -3.508 -14.473 1.00 0.00 C ATOM 1191 CG ASN A 80 -10.204 -2.800 -15.805 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -11.253 -2.225 -16.095 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -9.158 -2.838 -16.621 1.00 0.00 N ATOM 0 H ASN A 80 -9.383 -0.681 -14.242 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.805 -2.939 -12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.401 -4.376 -14.600 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.019 -3.879 -14.146 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.204 -2.378 -17.530 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.308 -3.327 -16.339 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.342 -2.973 -12.281 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.890 -3.068 -12.178 1.00 0.00 C ATOM 1202 C LEU A 81 -5.454 -4.511 -11.947 1.00 0.00 C ATOM 1203 O LEU A 81 -6.204 -5.316 -11.395 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.381 -2.181 -11.041 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.841 -0.723 -11.069 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.598 -0.060 -9.722 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.128 0.040 -12.176 1.00 0.00 C ATOM 0 H LEU A 81 -7.840 -3.165 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.460 -2.724 -13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.695 -2.622 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.291 -2.197 -11.054 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.912 -0.704 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.932 0.977 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.154 -0.591 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.534 -0.090 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.468 1.076 -12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.052 0.012 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.353 -0.420 -13.138 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.236 -4.831 -12.372 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.699 -6.177 -12.211 1.00 0.00 C ATOM 1221 C PHE A 82 -2.279 -6.133 -11.655 1.00 0.00 C ATOM 1222 O PHE A 82 -1.672 -5.067 -11.557 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.713 -6.918 -13.549 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.066 -6.956 -14.200 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.072 -7.760 -13.689 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -5.331 -6.188 -15.322 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.318 -7.797 -14.287 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.575 -6.221 -15.924 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.570 -7.026 -15.405 1.00 0.00 C ATOM 0 H PHE A 82 -3.602 -4.176 -12.831 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.331 -6.711 -11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.006 -6.440 -14.227 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.365 -7.939 -13.393 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.881 -8.364 -12.814 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.557 -5.556 -15.731 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.094 -8.428 -13.880 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.769 -5.618 -16.799 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.543 -7.053 -15.872 1.00 0.00 H new ATOM 1239 N MET A 83 -1.756 -7.299 -11.292 1.00 0.00 N ATOM 1240 CA MET A 83 -0.406 -7.394 -10.746 1.00 0.00 C ATOM 1241 C MET A 83 0.554 -6.489 -11.511 1.00 0.00 C ATOM 1242 O MET A 83 0.838 -6.719 -12.685 1.00 0.00 O ATOM 1243 CB MET A 83 0.087 -8.841 -10.799 1.00 0.00 C ATOM 1244 CG MET A 83 1.556 -8.996 -10.438 1.00 0.00 C ATOM 1245 SD MET A 83 2.078 -10.721 -10.377 1.00 0.00 S ATOM 1246 CE MET A 83 3.727 -10.551 -9.700 1.00 0.00 C ATOM 0 H MET A 83 -2.245 -8.191 -11.366 1.00 0.00 H new ATOM 0 HA MET A 83 -0.436 -7.066 -9.707 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.512 -9.445 -10.118 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.076 -9.235 -11.802 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.164 -8.462 -11.168 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.739 -8.531 -9.470 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.080 -11.522 -9.354 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.399 -10.173 -10.470 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.706 -9.853 -8.863 1.00 0.00 H new ATOM 1256 N GLY A 84 1.051 -5.457 -10.836 1.00 0.00 N ATOM 1257 CA GLY A 84 1.974 -4.532 -11.468 1.00 0.00 C ATOM 1258 C GLY A 84 1.561 -3.085 -11.285 1.00 0.00 C ATOM 1259 O GLY A 84 2.408 -2.201 -11.168 1.00 0.00 O ATOM 0 H GLY A 84 0.831 -5.245 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.971 -4.677 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.037 -4.757 -12.533 1.00 0.00 H new ATOM 1263 N ASN A 85 0.254 -2.843 -11.263 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.270 -1.492 -11.096 1.00 0.00 C ATOM 1265 C ASN A 85 0.111 -0.925 -9.732 1.00 0.00 C ATOM 1266 O ASN A 85 0.702 -1.618 -8.903 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.792 -1.490 -11.254 1.00 0.00 C ATOM 1268 CG ASN A 85 -2.340 -0.108 -11.553 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.518 0.265 -12.712 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -2.611 0.660 -10.504 1.00 0.00 N ATOM 0 H ASN A 85 -0.461 -3.564 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 85 0.170 -0.861 -11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.072 -2.171 -12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.250 -1.870 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.982 1.600 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.448 0.310 -9.560 1.00 0.00 H new ATOM 1277 N SER A 86 -0.232 0.339 -9.505 1.00 0.00 N ATOM 1278 CA SER A 86 0.077 1.000 -8.243 1.00 0.00 C ATOM 1279 C SER A 86 -1.001 2.018 -7.885 1.00 0.00 C ATOM 1280 O SER A 86 -1.574 2.667 -8.760 1.00 0.00 O ATOM 1281 CB SER A 86 1.440 1.692 -8.325 1.00 0.00 C ATOM 1282 OG SER A 86 1.446 2.687 -9.334 1.00 0.00 O ATOM 0 H SER A 86 -0.724 0.926 -10.179 1.00 0.00 H new ATOM 0 HA SER A 86 0.109 0.240 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.681 2.144 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.214 0.954 -8.533 1.00 0.00 H new ATOM 0 HG SER A 86 2.327 3.116 -9.366 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.273 2.152 -6.591 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.284 3.090 -6.115 1.00 0.00 C ATOM 1290 C PHE A 87 -2.103 3.375 -4.627 1.00 0.00 C ATOM 1291 O PHE A 87 -1.633 2.525 -3.873 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.686 2.535 -6.372 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.028 1.348 -5.517 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.334 1.511 -4.175 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -4.043 0.072 -6.054 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.648 0.421 -3.385 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.357 -1.022 -5.269 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.661 -0.847 -3.933 1.00 0.00 C ATOM 0 H PHE A 87 -0.808 1.623 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.164 4.024 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.418 3.323 -6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.769 2.253 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.327 2.500 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.807 -0.070 -7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.883 0.561 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.365 -2.012 -5.700 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.908 -1.700 -3.318 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.479 4.581 -4.212 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.350 4.959 -2.817 1.00 0.00 C ATOM 1310 C GLY A 88 -2.020 6.428 -2.642 1.00 0.00 C ATOM 1311 O GLY A 88 -2.917 7.258 -2.487 1.00 0.00 O ATOM 0 H GLY A 88 -2.871 5.303 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.280 4.734 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.570 4.357 -2.351 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.731 6.751 -2.666 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.286 8.130 -2.508 1.00 0.00 C ATOM 1317 C ILE A 89 0.882 8.440 -3.438 1.00 0.00 C ATOM 1318 O ILE A 89 1.514 7.534 -3.984 1.00 0.00 O ATOM 1319 CB ILE A 89 0.136 8.422 -1.057 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.388 7.620 -0.695 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.001 8.100 -0.099 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.253 8.289 0.350 1.00 0.00 C ATOM 0 H ILE A 89 0.023 6.076 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.132 8.767 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 89 0.369 9.483 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.088 6.637 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.980 7.459 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.687 8.312 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.869 8.711 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.263 7.046 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.122 7.664 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.584 9.260 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.678 8.425 1.266 1.00 0.00 H new ATOM 1334 N THR A 90 1.165 9.727 -3.615 1.00 0.00 N ATOM 1335 CA THR A 90 2.257 10.158 -4.478 1.00 0.00 C ATOM 1336 C THR A 90 3.577 10.198 -3.716 1.00 0.00 C ATOM 1337 O THR A 90 3.615 10.404 -2.503 1.00 0.00 O ATOM 1338 CB THR A 90 1.982 11.548 -5.081 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.891 12.525 -4.038 1.00 0.00 O ATOM 1340 CG2 THR A 90 0.694 11.542 -5.890 1.00 0.00 C ATOM 0 H THR A 90 0.652 10.489 -3.172 1.00 0.00 H new ATOM 0 HA THR A 90 2.329 9.429 -5.285 1.00 0.00 H new ATOM 0 HB THR A 90 2.808 11.801 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.579 13.210 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.521 12.535 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.777 10.818 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.140 11.269 -5.244 1.00 0.00 H new ATOM 1348 N PRO A 91 4.687 9.999 -4.442 1.00 0.00 N ATOM 1349 CA PRO A 91 6.030 10.010 -3.854 1.00 0.00 C ATOM 1350 C PRO A 91 6.455 11.404 -3.406 1.00 0.00 C ATOM 1351 O PRO A 91 7.576 11.602 -2.937 1.00 0.00 O ATOM 1352 CB PRO A 91 6.922 9.520 -4.998 1.00 0.00 C ATOM 1353 CG PRO A 91 6.175 9.873 -6.238 1.00 0.00 C ATOM 1354 CD PRO A 91 4.717 9.748 -5.893 1.00 0.00 C ATOM 0 HA PRO A 91 6.087 9.394 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.899 10.003 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.096 8.446 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.414 10.886 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.441 9.205 -7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.111 10.472 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.329 8.759 -6.138 1.00 0.00 H new ATOM 1362 N THR A 92 5.553 12.369 -3.554 1.00 0.00 N ATOM 1363 CA THR A 92 5.835 13.745 -3.165 1.00 0.00 C ATOM 1364 C THR A 92 5.230 14.067 -1.804 1.00 0.00 C ATOM 1365 O THR A 92 4.101 13.676 -1.507 1.00 0.00 O ATOM 1366 CB THR A 92 5.294 14.745 -4.204 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.875 14.876 -4.065 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.630 14.292 -5.617 1.00 0.00 C ATOM 0 H THR A 92 4.621 12.223 -3.941 1.00 0.00 H new ATOM 0 HA THR A 92 6.919 13.841 -3.109 1.00 0.00 H new ATOM 0 HB THR A 92 5.767 15.711 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.539 15.515 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.238 15.014 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.712 14.221 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.181 13.316 -5.803 1.00 0.00 H new ATOM 1376 N LEU A 93 5.987 14.782 -0.979 1.00 0.00 N ATOM 1377 CA LEU A 93 5.525 15.158 0.353 1.00 0.00 C ATOM 1378 C LEU A 93 4.034 15.481 0.340 1.00 0.00 C ATOM 1379 O LEU A 93 3.331 15.253 1.325 1.00 0.00 O ATOM 1380 CB LEU A 93 6.315 16.362 0.868 1.00 0.00 C ATOM 1381 CG LEU A 93 7.593 16.044 1.644 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.208 17.317 2.205 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.306 15.051 2.761 1.00 0.00 C ATOM 0 H LEU A 93 6.924 15.113 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 93 5.689 14.312 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.578 16.990 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.661 16.952 1.510 1.00 0.00 H new ATOM 0 HG LEU A 93 8.308 15.591 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.117 17.071 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.451 17.995 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.498 17.799 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.227 14.836 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.573 15.476 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.912 14.128 2.335 1.00 0.00 H new ATOM 1395 N ASP A 94 3.558 16.010 -0.781 1.00 0.00 N ATOM 1396 CA ASP A 94 2.150 16.361 -0.924 1.00 0.00 C ATOM 1397 C ASP A 94 1.256 15.171 -0.589 1.00 0.00 C ATOM 1398 O ASP A 94 1.589 14.026 -0.895 1.00 0.00 O ATOM 1399 CB ASP A 94 1.864 16.845 -2.346 1.00 0.00 C ATOM 1400 CG ASP A 94 2.632 18.106 -2.694 1.00 0.00 C ATOM 1401 OD1 ASP A 94 3.833 17.999 -3.016 1.00 0.00 O ATOM 1402 OD2 ASP A 94 2.031 19.200 -2.642 1.00 0.00 O ATOM 0 H ASP A 94 4.127 16.205 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 94 1.930 17.167 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.124 16.058 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.796 17.032 -2.455 1.00 0.00 H new ATOM 1407 N LYS A 95 0.120 15.449 0.041 1.00 0.00 N ATOM 1408 CA LYS A 95 -0.822 14.402 0.418 1.00 0.00 C ATOM 1409 C LYS A 95 -1.897 14.228 -0.651 1.00 0.00 C ATOM 1410 O LYS A 95 -1.846 14.863 -1.703 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.474 14.734 1.762 1.00 0.00 C ATOM 1412 CG LYS A 95 -0.489 14.800 2.916 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.913 15.826 3.954 1.00 0.00 C ATOM 1414 CE LYS A 95 -2.133 15.359 4.733 1.00 0.00 C ATOM 1415 NZ LYS A 95 -2.705 16.449 5.572 1.00 0.00 N ATOM 0 H LYS A 95 -0.171 16.391 0.301 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.270 13.467 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.989 15.691 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.231 13.982 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.410 13.819 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.501 15.053 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.089 16.010 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.135 16.773 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.892 14.999 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.858 14.517 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.535 16.091 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.989 16.776 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.991 17.242 4.963 1.00 0.00 H new ATOM 1429 N GLN A 96 -2.867 13.364 -0.372 1.00 0.00 N ATOM 1430 CA GLN A 96 -3.954 13.107 -1.310 1.00 0.00 C ATOM 1431 C GLN A 96 -5.053 12.276 -0.656 1.00 0.00 C ATOM 1432 O GLN A 96 -4.827 11.623 0.363 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.424 12.387 -2.551 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.514 11.212 -2.232 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.273 11.626 -1.466 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.171 11.402 -0.260 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.322 12.235 -2.164 1.00 0.00 N ATOM 0 H GLN A 96 -2.923 12.830 0.495 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.378 14.066 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.268 12.032 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.879 13.100 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.068 10.476 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.217 10.725 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.449 12.400 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.535 12.538 -1.702 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.241 12.305 -1.248 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.376 11.557 -0.721 1.00 0.00 C ATOM 1448 C TYR A 97 -7.916 10.582 -1.763 1.00 0.00 C ATOM 1449 O TYR A 97 -7.770 10.797 -2.965 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.485 12.514 -0.279 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.159 13.274 0.987 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -6.988 14.015 1.094 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -9.022 13.252 2.075 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.686 14.710 2.249 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -8.728 13.945 3.233 1.00 0.00 C ATOM 1456 CZ TYR A 97 -7.559 14.673 3.315 1.00 0.00 C ATOM 1457 OH TYR A 97 -7.263 15.364 4.468 1.00 0.00 O ATOM 0 H TYR A 97 -6.443 12.839 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.033 10.986 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.680 13.226 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.403 11.947 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.303 14.048 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.938 12.684 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.771 15.279 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.410 13.917 4.070 1.00 0.00 H new ATOM 0 HH TYR A 97 -7.982 15.234 5.121 1.00 0.00 H new ATOM 1467 N MET A 98 -8.542 9.509 -1.290 1.00 0.00 N ATOM 1468 CA MET A 98 -9.106 8.500 -2.180 1.00 0.00 C ATOM 1469 C MET A 98 -10.354 9.029 -2.879 1.00 0.00 C ATOM 1470 O MET A 98 -11.348 9.360 -2.232 1.00 0.00 O ATOM 1471 CB MET A 98 -9.446 7.231 -1.397 1.00 0.00 C ATOM 1472 CG MET A 98 -9.358 5.962 -2.229 1.00 0.00 C ATOM 1473 SD MET A 98 -9.916 6.204 -3.926 1.00 0.00 S ATOM 1474 CE MET A 98 -9.046 4.879 -4.761 1.00 0.00 C ATOM 0 H MET A 98 -8.671 9.316 -0.297 1.00 0.00 H new ATOM 0 HA MET A 98 -8.359 8.262 -2.938 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.769 7.146 -0.547 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.454 7.322 -0.994 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.327 5.608 -2.237 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.959 5.183 -1.761 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.405 5.297 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.436 4.334 -4.041 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.767 4.199 -5.214 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.296 9.108 -4.205 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.423 9.598 -4.992 1.00 0.00 C ATOM 1486 C HIS A 99 -12.270 8.438 -5.507 1.00 0.00 C ATOM 1487 O HIS A 99 -12.640 8.400 -6.680 1.00 0.00 O ATOM 1488 CB HIS A 99 -10.924 10.441 -6.166 1.00 0.00 C ATOM 1489 CG HIS A 99 -10.728 11.886 -5.825 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.358 12.911 -6.499 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.968 12.476 -4.872 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -10.992 14.068 -5.977 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -10.149 13.832 -4.988 1.00 0.00 N ATOM 0 H HIS A 99 -9.481 8.839 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.043 10.220 -4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.980 10.029 -6.523 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.637 10.363 -6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.337 11.973 -4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.326 15.042 -6.304 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.705 14.542 -4.405 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.573 7.494 -4.622 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.374 6.346 -5.006 1.00 0.00 C ATOM 1504 C GLY A 100 -13.341 5.242 -3.967 1.00 0.00 C ATOM 1505 O GLY A 100 -13.029 5.488 -2.802 1.00 0.00 O ATOM 0 H GLY A 100 -12.278 7.503 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.405 6.662 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.012 5.956 -5.957 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.666 4.025 -4.389 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.673 2.881 -3.487 1.00 0.00 C ATOM 1511 C ILE A 101 -13.001 1.671 -4.127 1.00 0.00 C ATOM 1512 O ILE A 101 -13.458 1.164 -5.152 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.107 2.499 -3.073 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.768 3.654 -2.319 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -15.094 1.239 -2.220 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.254 3.465 -2.108 1.00 0.00 C ATOM 0 H ILE A 101 -13.928 3.806 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.114 3.176 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.688 2.298 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.283 3.769 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.602 4.580 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.114 0.982 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.658 0.418 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.500 1.413 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.657 4.322 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.751 3.380 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.427 2.557 -1.530 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.915 1.212 -3.515 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.181 0.059 -4.023 1.00 0.00 C ATOM 1530 C VAL A 102 -11.656 -1.230 -3.362 1.00 0.00 C ATOM 1531 O VAL A 102 -11.942 -1.257 -2.165 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.665 0.213 -3.793 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.899 -0.861 -4.551 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.202 1.601 -4.207 1.00 0.00 C ATOM 0 H VAL A 102 -11.523 1.621 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.375 0.007 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.462 0.089 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.830 -0.737 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.211 -1.845 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.106 -0.771 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.129 1.692 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.417 1.756 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.728 2.351 -3.616 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.736 -2.298 -4.150 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.177 -3.591 -3.641 1.00 0.00 C ATOM 1546 C ARG A 103 -11.521 -4.731 -4.413 1.00 0.00 C ATOM 1547 O ARG A 103 -11.448 -4.703 -5.642 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.700 -3.707 -3.735 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.424 -3.247 -2.480 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.804 -3.877 -2.371 1.00 0.00 C ATOM 1551 NE ARG A 103 -15.794 -5.287 -2.751 1.00 0.00 N ATOM 1552 CZ ARG A 103 -16.865 -5.937 -3.193 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.025 -5.307 -3.310 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -16.776 -7.220 -3.519 1.00 0.00 N ATOM 0 H ARG A 103 -11.501 -2.293 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.878 -3.664 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.049 -3.117 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.965 -4.745 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.833 -3.507 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.518 -2.161 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.167 -3.780 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.501 -3.335 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.916 -5.801 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.097 -4.321 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -18.846 -5.808 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.885 -7.708 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.599 -7.718 -3.858 1.00 0.00 H new ATOM 1568 N THR A 104 -11.043 -5.735 -3.684 1.00 0.00 N ATOM 1569 CA THR A 104 -10.391 -6.884 -4.299 1.00 0.00 C ATOM 1570 C THR A 104 -11.367 -7.671 -5.166 1.00 0.00 C ATOM 1571 O THR A 104 -12.583 -7.539 -5.027 1.00 0.00 O ATOM 1572 CB THR A 104 -9.792 -7.825 -3.237 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.754 -8.076 -2.206 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.534 -7.224 -2.628 1.00 0.00 C ATOM 0 H THR A 104 -11.095 -5.775 -2.666 1.00 0.00 H new ATOM 0 HA THR A 104 -9.587 -6.494 -4.923 1.00 0.00 H new ATOM 0 HB THR A 104 -9.528 -8.764 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.366 -8.676 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.129 -7.907 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.793 -7.062 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.777 -6.272 -2.156 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.827 -8.490 -6.063 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.649 -9.300 -6.953 1.00 0.00 C ATOM 1584 C LYS A 105 -11.509 -10.783 -6.624 1.00 0.00 C ATOM 1585 O LYS A 105 -12.295 -11.609 -7.087 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.258 -9.051 -8.411 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.745 -7.718 -8.952 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.128 -7.839 -9.569 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.070 -8.485 -10.945 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.428 -8.803 -11.467 1.00 0.00 N ATOM 0 H LYS A 105 -9.822 -8.610 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.690 -9.010 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.173 -9.095 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.661 -9.853 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.768 -6.984 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.043 -7.349 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.769 -8.430 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.580 -6.850 -9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.562 -7.816 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.478 -9.399 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.345 -9.242 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.904 -9.462 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.985 -7.928 -11.542 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.503 -11.113 -5.820 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.261 -12.496 -5.426 1.00 0.00 C ATOM 1606 C VAL A 106 -9.751 -12.579 -3.992 1.00 0.00 C ATOM 1607 O VAL A 106 -9.594 -11.560 -3.319 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.244 -13.176 -6.362 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.829 -13.344 -7.756 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.949 -12.378 -6.410 1.00 0.00 C ATOM 0 H VAL A 106 -9.842 -10.441 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.216 -13.017 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.019 -14.167 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.096 -13.826 -8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.726 -13.960 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.085 -12.366 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.241 -12.872 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.154 -11.373 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.523 -12.316 -5.409 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.492 -13.798 -3.532 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.997 -14.014 -2.177 1.00 0.00 C ATOM 1622 C ASP A 107 -7.497 -14.288 -2.184 1.00 0.00 C ATOM 1623 O ASP A 107 -6.922 -14.625 -3.219 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.739 -15.179 -1.520 1.00 0.00 C ATOM 1625 CG ASP A 107 -10.092 -16.272 -2.510 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -9.216 -17.112 -2.804 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -11.245 -16.287 -2.991 1.00 0.00 O ATOM 0 H ASP A 107 -9.616 -14.651 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.179 -13.107 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.121 -15.598 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.651 -14.808 -1.052 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.868 -14.142 -1.023 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.434 -14.374 -0.895 1.00 0.00 C ATOM 1634 C ASP A 108 -4.644 -13.358 -1.714 1.00 0.00 C ATOM 1635 O ASP A 108 -3.738 -13.721 -2.464 1.00 0.00 O ATOM 1636 CB ASP A 108 -5.084 -15.793 -1.345 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.826 -16.317 -0.680 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.704 -16.174 0.555 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.964 -16.870 -1.394 1.00 0.00 O ATOM 0 H ASP A 108 -7.329 -13.864 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.164 -14.257 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.916 -16.459 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.952 -15.806 -2.427 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.995 -12.085 -1.565 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.319 -11.016 -2.292 1.00 0.00 C ATOM 1646 C CYS A 109 -3.219 -10.391 -1.441 1.00 0.00 C ATOM 1647 O CYS A 109 -3.432 -10.070 -0.272 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.325 -9.944 -2.714 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.258 -10.355 -4.208 1.00 0.00 S ATOM 0 H CYS A 109 -5.743 -11.768 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.863 -11.447 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.025 -9.776 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.794 -9.006 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.447 -10.763 -3.878 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.042 -10.223 -2.036 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.907 -9.638 -1.331 1.00 0.00 C ATOM 1657 C GLN A 110 -0.777 -8.152 -1.647 1.00 0.00 C ATOM 1658 O GLN A 110 -0.978 -7.728 -2.785 1.00 0.00 O ATOM 1659 CB GLN A 110 0.384 -10.366 -1.708 1.00 0.00 C ATOM 1660 CG GLN A 110 0.575 -11.685 -0.976 1.00 0.00 C ATOM 1661 CD GLN A 110 1.417 -12.671 -1.761 1.00 0.00 C ATOM 1662 OE1 GLN A 110 1.915 -12.358 -2.843 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.582 -13.873 -1.219 1.00 0.00 N ATOM 0 H GLN A 110 -1.850 -10.483 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.080 -9.749 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.386 -10.552 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.233 -9.716 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.048 -11.496 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.400 -12.127 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.152 -14.091 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.139 -14.578 -1.702 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.440 -7.363 -0.631 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.285 -5.923 -0.800 1.00 0.00 C ATOM 1674 C PHE A 111 0.850 -5.393 0.070 1.00 0.00 C ATOM 1675 O PHE A 111 1.283 -6.052 1.016 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.589 -5.204 -0.451 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.751 -5.617 -1.309 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.924 -5.073 -2.571 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.668 -6.551 -0.854 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.993 -5.451 -3.363 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.738 -6.933 -1.641 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.899 -6.383 -2.898 1.00 0.00 C ATOM 0 H PHE A 111 -0.269 -7.697 0.317 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.040 -5.729 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.833 -5.397 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.439 -4.129 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.216 -4.346 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.545 -6.986 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.119 -5.018 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.447 -7.660 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.733 -6.682 -3.516 1.00 0.00 H new ATOM 1692 N VAL A 112 1.330 -4.197 -0.256 1.00 0.00 N ATOM 1693 CA VAL A 112 2.414 -3.577 0.495 1.00 0.00 C ATOM 1694 C VAL A 112 2.111 -2.112 0.790 1.00 0.00 C ATOM 1695 O VAL A 112 1.532 -1.408 -0.039 1.00 0.00 O ATOM 1696 CB VAL A 112 3.750 -3.670 -0.267 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.679 -2.885 -1.567 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.895 -3.174 0.604 1.00 0.00 C ATOM 0 H VAL A 112 0.984 -3.638 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 112 2.501 -4.123 1.434 1.00 0.00 H new ATOM 0 HB VAL A 112 3.937 -4.715 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.632 -2.962 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.885 -3.291 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.469 -1.838 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.831 -3.247 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.717 -2.135 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.958 -3.785 1.505 1.00 0.00 H new ATOM 1708 N CYS A 113 2.506 -1.658 1.974 1.00 0.00 N ATOM 1709 CA CYS A 113 2.277 -0.276 2.379 1.00 0.00 C ATOM 1710 C CYS A 113 3.588 0.404 2.760 1.00 0.00 C ATOM 1711 O CYS A 113 4.367 -0.127 3.551 1.00 0.00 O ATOM 1712 CB CYS A 113 1.300 -0.223 3.555 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.424 -0.514 3.097 1.00 0.00 S ATOM 0 H CYS A 113 2.987 -2.227 2.671 1.00 0.00 H new ATOM 0 HA CYS A 113 1.845 0.258 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.598 -0.966 4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.378 0.753 4.034 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.969 0.606 2.723 1.00 0.00 H new ATOM 1719 N ILE A 114 3.825 1.580 2.189 1.00 0.00 N ATOM 1720 CA ILE A 114 5.042 2.332 2.469 1.00 0.00 C ATOM 1721 C ILE A 114 4.720 3.752 2.922 1.00 0.00 C ATOM 1722 O ILE A 114 4.088 4.518 2.196 1.00 0.00 O ATOM 1723 CB ILE A 114 5.960 2.396 1.234 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.483 1.001 0.887 1.00 0.00 C ATOM 1725 CG2 ILE A 114 7.116 3.354 1.482 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.922 0.861 -0.554 1.00 0.00 C ATOM 0 H ILE A 114 3.191 2.032 1.530 1.00 0.00 H new ATOM 0 HA ILE A 114 5.560 1.806 3.271 1.00 0.00 H new ATOM 0 HB ILE A 114 5.381 2.767 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.324 0.765 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.703 0.268 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.756 3.388 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.725 4.351 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.696 3.010 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.281 -0.153 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.078 1.066 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.724 1.570 -0.761 1.00 0.00 H new ATOM 1738 N ALA A 115 5.159 4.096 4.129 1.00 0.00 N ATOM 1739 CA ALA A 115 4.920 5.425 4.678 1.00 0.00 C ATOM 1740 C ALA A 115 5.330 6.510 3.688 1.00 0.00 C ATOM 1741 O ALA A 115 6.293 6.348 2.939 1.00 0.00 O ATOM 1742 CB ALA A 115 5.670 5.595 5.991 1.00 0.00 C ATOM 0 H ALA A 115 5.682 3.473 4.745 1.00 0.00 H new ATOM 0 HA ALA A 115 3.851 5.527 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.483 6.592 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.326 4.847 6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.739 5.468 5.819 1.00 0.00 H new ATOM 1748 N GLN A 116 4.591 7.615 3.690 1.00 0.00 N ATOM 1749 CA GLN A 116 4.878 8.726 2.790 1.00 0.00 C ATOM 1750 C GLN A 116 6.319 9.197 2.948 1.00 0.00 C ATOM 1751 O GLN A 116 7.124 9.083 2.025 1.00 0.00 O ATOM 1752 CB GLN A 116 3.917 9.886 3.056 1.00 0.00 C ATOM 1753 CG GLN A 116 4.318 11.179 2.364 1.00 0.00 C ATOM 1754 CD GLN A 116 3.147 12.121 2.164 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.648 12.720 3.117 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.703 12.259 0.920 1.00 0.00 N ATOM 0 H GLN A 116 3.790 7.765 4.304 1.00 0.00 H new ATOM 0 HA GLN A 116 4.740 8.377 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.918 9.602 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.860 10.061 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.086 11.680 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.762 10.946 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.146 11.743 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.919 12.881 0.725 1.00 0.00 H new ATOM 1765 N GLN A 117 6.637 9.727 4.125 1.00 0.00 N ATOM 1766 CA GLN A 117 7.982 10.217 4.403 1.00 0.00 C ATOM 1767 C GLN A 117 9.033 9.312 3.769 1.00 0.00 C ATOM 1768 O GLN A 117 9.720 9.707 2.827 1.00 0.00 O ATOM 1769 CB GLN A 117 8.213 10.307 5.913 1.00 0.00 C ATOM 1770 CG GLN A 117 7.814 11.646 6.511 1.00 0.00 C ATOM 1771 CD GLN A 117 6.486 12.149 5.981 1.00 0.00 C ATOM 1772 OE1 GLN A 117 5.430 11.604 6.302 1.00 0.00 O ATOM 1773 NE2 GLN A 117 6.532 13.196 5.165 1.00 0.00 N ATOM 0 H GLN A 117 5.982 9.828 4.901 1.00 0.00 H new ATOM 0 HA GLN A 117 8.076 11.212 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.649 9.516 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 117 9.267 10.125 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.756 11.553 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.589 12.381 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.430 13.617 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.670 13.579 4.778 1.00 0.00 H new ATOM 1782 N ASP A 118 9.153 8.097 4.292 1.00 0.00 N ATOM 1783 CA ASP A 118 10.120 7.134 3.777 1.00 0.00 C ATOM 1784 C ASP A 118 10.010 7.012 2.260 1.00 0.00 C ATOM 1785 O ASP A 118 11.005 6.783 1.572 1.00 0.00 O ATOM 1786 CB ASP A 118 9.908 5.767 4.428 1.00 0.00 C ATOM 1787 CG ASP A 118 9.920 5.838 5.942 1.00 0.00 C ATOM 1788 OD1 ASP A 118 10.707 6.637 6.493 1.00 0.00 O ATOM 1789 OD2 ASP A 118 9.141 5.097 6.577 1.00 0.00 O ATOM 0 H ASP A 118 8.593 7.755 5.073 1.00 0.00 H new ATOM 0 HA ASP A 118 11.119 7.493 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.957 5.353 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.688 5.084 4.093 1.00 0.00 H new ATOM 1794 N TYR A 119 8.795 7.166 1.747 1.00 0.00 N ATOM 1795 CA TYR A 119 8.554 7.069 0.312 1.00 0.00 C ATOM 1796 C TYR A 119 9.134 8.275 -0.421 1.00 0.00 C ATOM 1797 O TYR A 119 9.618 8.157 -1.546 1.00 0.00 O ATOM 1798 CB TYR A 119 7.054 6.962 0.032 1.00 0.00 C ATOM 1799 CG TYR A 119 6.730 6.549 -1.387 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.429 5.522 -2.008 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.727 7.187 -2.105 1.00 0.00 C ATOM 1802 CE1 TYR A 119 7.138 5.141 -3.304 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.428 6.813 -3.401 1.00 0.00 C ATOM 1804 CZ TYR A 119 6.137 5.790 -3.996 1.00 0.00 C ATOM 1805 OH TYR A 119 5.843 5.415 -5.287 1.00 0.00 O ATOM 0 H TYR A 119 7.962 7.358 2.303 1.00 0.00 H new ATOM 0 HA TYR A 119 9.051 6.171 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.615 6.240 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.585 7.924 0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.214 5.012 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 119 5.171 7.989 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.691 4.340 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.644 7.319 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 119 5.219 4.659 -5.274 1.00 0.00 H new ATOM 1815 N TRP A 120 9.083 9.433 0.227 1.00 0.00 N ATOM 1816 CA TRP A 120 9.604 10.661 -0.362 1.00 0.00 C ATOM 1817 C TRP A 120 11.034 10.922 0.099 1.00 0.00 C ATOM 1818 O TRP A 120 11.655 11.907 -0.300 1.00 0.00 O ATOM 1819 CB TRP A 120 8.712 11.847 0.009 1.00 0.00 C ATOM 1820 CG TRP A 120 9.387 13.174 -0.161 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.454 13.920 -1.303 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.093 13.911 0.844 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.159 15.077 -1.068 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.561 15.095 0.241 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.374 13.687 2.194 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.294 16.048 0.943 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.102 14.634 2.889 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.554 15.803 2.264 1.00 0.00 C ATOM 0 H TRP A 120 8.686 9.547 1.160 1.00 0.00 H new ATOM 0 HA TRP A 120 9.607 10.542 -1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.813 11.823 -0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.391 11.741 1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.018 13.642 -2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.351 15.804 -1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.028 12.790 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.645 16.949 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.326 14.470 3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.119 16.525 2.835 1.00 0.00 H new ATOM 1839 N ARG A 121 11.551 10.033 0.941 1.00 0.00 N ATOM 1840 CA ARG A 121 12.908 10.168 1.457 1.00 0.00 C ATOM 1841 C ARG A 121 13.875 9.277 0.682 1.00 0.00 C ATOM 1842 O ARG A 121 15.080 9.288 0.933 1.00 0.00 O ATOM 1843 CB ARG A 121 12.949 9.811 2.944 1.00 0.00 C ATOM 1844 CG ARG A 121 12.578 10.967 3.858 1.00 0.00 C ATOM 1845 CD ARG A 121 12.592 10.548 5.320 1.00 0.00 C ATOM 1846 NE ARG A 121 13.946 10.517 5.867 1.00 0.00 N ATOM 1847 CZ ARG A 121 14.212 10.403 7.163 1.00 0.00 C ATOM 1848 NH1 ARG A 121 13.222 10.310 8.041 1.00 0.00 N ATOM 1849 NH2 ARG A 121 15.470 10.382 7.584 1.00 0.00 N ATOM 0 H ARG A 121 11.051 9.212 1.280 1.00 0.00 H new ATOM 0 HA ARG A 121 13.216 11.206 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.268 8.980 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.951 9.465 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 121 13.277 11.790 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.587 11.338 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.982 11.239 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 121 12.138 9.562 5.419 1.00 0.00 H new ATOM 0 HE ARG A 121 14.730 10.587 5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.254 10.326 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.429 10.223 9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 121 16.234 10.453 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.673 10.294 8.580 1.00 0.00 H new ATOM 1863 N ILE A 122 13.338 8.508 -0.259 1.00 0.00 N ATOM 1864 CA ILE A 122 14.153 7.612 -1.070 1.00 0.00 C ATOM 1865 C ILE A 122 14.209 8.081 -2.520 1.00 0.00 C ATOM 1866 O ILE A 122 15.287 8.203 -3.103 1.00 0.00 O ATOM 1867 CB ILE A 122 13.615 6.170 -1.029 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.579 5.656 0.411 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.470 5.261 -1.901 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.819 4.358 0.571 1.00 0.00 C ATOM 0 H ILE A 122 12.342 8.487 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 122 15.157 7.629 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 122 12.598 6.166 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.601 5.515 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 122 13.124 6.415 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 122 14.077 4.245 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.449 5.619 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.497 5.267 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.835 4.054 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.787 4.499 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.287 3.585 -0.039 1.00 0.00 H new ATOM 1882 N LEU A 123 13.042 8.346 -3.096 1.00 0.00 N ATOM 1883 CA LEU A 123 12.957 8.805 -4.478 1.00 0.00 C ATOM 1884 C LEU A 123 13.504 10.222 -4.616 1.00 0.00 C ATOM 1885 O LEU A 123 13.948 10.624 -5.690 1.00 0.00 O ATOM 1886 CB LEU A 123 11.507 8.756 -4.964 1.00 0.00 C ATOM 1887 CG LEU A 123 10.958 7.368 -5.297 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.323 6.736 -4.068 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.951 7.453 -6.435 1.00 0.00 C ATOM 0 H LEU A 123 12.141 8.251 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 123 13.563 8.140 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.873 9.202 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.421 9.382 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 123 11.787 6.737 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.938 5.749 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.071 6.641 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.505 7.365 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.570 6.457 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.124 8.100 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.436 7.864 -7.320 1.00 0.00 H new ATOM 1901 N ASN A 124 13.470 10.973 -3.520 1.00 0.00 N ATOM 1902 CA ASN A 124 13.964 12.345 -3.518 1.00 0.00 C ATOM 1903 C ASN A 124 15.434 12.394 -3.111 1.00 0.00 C ATOM 1904 O ASN A 124 16.070 11.357 -2.918 1.00 0.00 O ATOM 1905 CB ASN A 124 13.131 13.208 -2.568 1.00 0.00 C ATOM 1906 CG ASN A 124 11.665 13.240 -2.952 1.00 0.00 C ATOM 1907 OD1 ASN A 124 11.148 14.268 -3.389 1.00 0.00 O ATOM 1908 ND2 ASN A 124 10.986 12.110 -2.789 1.00 0.00 N ATOM 0 H ASN A 124 13.106 10.655 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 124 13.873 12.739 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.229 12.825 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.525 14.224 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.996 12.071 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.455 11.281 -2.423 1.00 0.00 H new ATOM 1915 N HIS A 125 15.967 13.605 -2.981 1.00 0.00 N ATOM 1916 CA HIS A 125 17.361 13.789 -2.596 1.00 0.00 C ATOM 1917 C HIS A 125 17.466 14.588 -1.300 1.00 0.00 C ATOM 1918 O HIS A 125 17.906 15.737 -1.301 1.00 0.00 O ATOM 1919 CB HIS A 125 18.131 14.499 -3.710 1.00 0.00 C ATOM 1920 CG HIS A 125 17.822 13.976 -5.079 1.00 0.00 C ATOM 1921 ND1 HIS A 125 17.927 14.744 -6.219 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.410 12.753 -5.487 1.00 0.00 C ATOM 1923 CE1 HIS A 125 17.592 14.017 -7.270 1.00 0.00 C ATOM 1924 NE2 HIS A 125 17.274 12.805 -6.853 1.00 0.00 N ATOM 0 H HIS A 125 15.454 14.473 -3.137 1.00 0.00 H new ATOM 0 HA HIS A 125 17.799 12.805 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.902 15.564 -3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.200 14.397 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.223 11.896 -4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.580 14.356 -8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.976 12.033 -7.449 1.00 0.00 H new