USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 859 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 52 THR OG1 : rot 146:sc= 0.0661 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.621 USER MOD Set 2.1: A 98 THR OG1 : rot -61:sc= 0.56 USER MOD Set 2.2: A 129 HIS :FLIP no HD1:sc= -2.58! F(o=-3,f=-2!) USER MOD Set 3.1: A 105 SER OG : rot 170:sc=-0.00898 USER MOD Set 3.2: A 121 ASN :FLIP amide:sc= -0.669 F(o=-1.7!,f=-0.68) USER MOD Set 4.1: A 80 SER OG : rot -109:sc= 1.19 USER MOD Set 4.2: A 81 GLN :FLIP amide:sc= -0.671 F(o=-1.8,f=0.51) USER MOD Set 5.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 68 THR OG1 : rot 138:sc= 1.81 USER MOD Set 6.1: A 47 LYS NZ :NH3+ 171:sc= -0.648 (180deg=-1.37) USER MOD Set 6.2: A 48 SER OG : rot 180:sc= 0.672 USER MOD Single : A 8 ASN : amide:sc= -0.474 K(o=-0.47,f=-3.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.11 (180deg=-0.739) USER MOD Single : A 17 THR OG1 : rot 90:sc= 0.651 USER MOD Single : A 19 ASN : amide:sc= -11.5! C(o=-11!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.278 K(o=0.28,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.97! C(o=-3!,f=-3.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0169 USER MOD Single : A 35 LYS NZ :NH3+ -112:sc= -0.0139 (180deg=-0.569) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.78 F(o=-5!,f=-0.78) USER MOD Single : A 39 SER OG : rot -8:sc= 0.696! USER MOD Single : A 41 ASN :FLIP amide:sc= -0.792 F(o=-4.3!,f=-0.79) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -3.01! (180deg=-3.22!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 56 THR OG1 : rot 150:sc= -0.502 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.284 (180deg=-1.28!) USER MOD Single : A 71 THR OG1 : rot -64:sc= 0.884 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.162 (180deg=-0.953) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0222 F(o=-2.1!,f=-0.022) USER MOD Single : A 87 THR OG1 : rot 49:sc= -0.481 USER MOD Single : A 91 GLN :FLIP amide:sc= -1.17 F(o=-3.7!,f=-1.2) USER MOD Single : A 93 MET CE :methyl -120:sc= -0.524 (180deg=-5.42!) USER MOD Single : A 97 SER OG : rot -57:sc= 0.406 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 140:sc= -4.96! USER MOD Single : A 123 THR OG1 : rot 160:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 154:sc= -0.79 (180deg=-2.56!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.826 21.226 9.810 1.00 1.00 N ATOM 104 CA GLU A 7 98.248 20.106 10.546 1.00 1.00 C ATOM 105 C GLU A 7 98.799 18.788 10.036 1.00 1.00 C ATOM 106 O GLU A 7 99.316 17.977 10.791 1.00 1.00 O ATOM 107 CB GLU A 7 96.734 20.095 10.405 1.00 1.00 C ATOM 108 CG GLU A 7 96.187 21.511 10.517 1.00 1.00 C ATOM 109 CD GLU A 7 94.663 21.475 10.554 1.00 1.00 C ATOM 110 OE1 GLU A 7 94.061 22.535 10.486 1.00 1.00 O ATOM 111 OE2 GLU A 7 94.118 20.387 10.654 1.00 1.00 O ATOM 0 HA GLU A 7 98.514 20.228 11.596 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.454 19.664 9.444 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.294 19.465 11.178 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.571 21.988 11.419 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.525 22.109 9.671 1.00 1.00 H new ATOM 118 N ASN A 8 98.706 18.600 8.743 1.00 1.00 N ATOM 119 CA ASN A 8 99.212 17.381 8.130 1.00 1.00 C ATOM 120 C ASN A 8 100.690 17.272 8.422 1.00 1.00 C ATOM 121 O ASN A 8 101.241 16.185 8.600 1.00 1.00 O ATOM 122 CB ASN A 8 98.990 17.433 6.626 1.00 1.00 C ATOM 123 CG ASN A 8 97.524 17.645 6.305 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.680 17.619 7.195 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.177 17.839 5.064 1.00 1.00 N ATOM 0 H ASN A 8 98.289 19.266 8.092 1.00 1.00 H new ATOM 0 HA ASN A 8 98.687 16.516 8.535 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.582 18.240 6.194 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.336 16.505 6.171 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.195 17.971 4.824 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.888 17.859 4.333 1.00 1.00 H new ATOM 132 N LYS A 9 101.313 18.425 8.470 1.00 1.00 N ATOM 133 CA LYS A 9 102.736 18.526 8.743 1.00 1.00 C ATOM 134 C LYS A 9 103.078 18.034 10.155 1.00 1.00 C ATOM 135 O LYS A 9 103.990 17.235 10.328 1.00 1.00 O ATOM 136 CB LYS A 9 103.126 20.001 8.552 1.00 1.00 C ATOM 137 CG LYS A 9 104.332 20.415 9.390 1.00 1.00 C ATOM 138 CD LYS A 9 104.769 21.827 8.986 1.00 1.00 C ATOM 139 CE LYS A 9 106.051 22.205 9.731 1.00 1.00 C ATOM 140 NZ LYS A 9 106.535 23.530 9.249 1.00 1.00 N ATOM 0 H LYS A 9 100.852 19.323 8.322 1.00 1.00 H new ATOM 0 HA LYS A 9 103.300 17.889 8.062 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.344 20.179 7.499 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.276 20.632 8.813 1.00 1.00 H new ATOM 0 HG2 LYS A 9 104.079 20.390 10.450 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.151 19.712 9.241 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.936 21.872 7.910 1.00 1.00 H new ATOM 0 HD3 LYS A 9 103.979 22.542 9.216 1.00 1.00 H new ATOM 0 HE2 LYS A 9 105.863 22.243 10.804 1.00 1.00 H new ATOM 0 HE3 LYS A 9 106.816 21.446 9.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 107.406 23.787 9.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 106.730 23.478 8.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 105.807 24.251 9.426 1.00 1.00 H new ATOM 154 N VAL A 10 102.359 18.515 11.161 1.00 1.00 N ATOM 155 CA VAL A 10 102.646 18.110 12.535 1.00 1.00 C ATOM 156 C VAL A 10 102.286 16.653 12.790 1.00 1.00 C ATOM 157 O VAL A 10 103.080 15.903 13.358 1.00 1.00 O ATOM 158 CB VAL A 10 101.907 19.018 13.519 1.00 1.00 C ATOM 159 CG1 VAL A 10 102.053 18.473 14.927 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.500 20.426 13.449 1.00 1.00 C ATOM 0 H VAL A 10 101.587 19.173 11.058 1.00 1.00 H new ATOM 0 HA VAL A 10 103.721 18.211 12.687 1.00 1.00 H new ATOM 0 HB VAL A 10 100.849 19.053 13.258 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.525 19.123 15.625 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.630 17.470 14.974 1.00 1.00 H new ATOM 0 HG13 VAL A 10 103.109 18.435 15.195 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.976 21.077 14.149 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.558 20.389 13.710 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.390 20.817 12.438 1.00 1.00 H new ATOM 164 N LYS A 11 101.102 16.252 12.369 1.00 1.00 N ATOM 165 CA LYS A 11 100.690 14.881 12.568 1.00 1.00 C ATOM 166 C LYS A 11 101.648 13.986 11.809 1.00 1.00 C ATOM 167 O LYS A 11 102.000 12.900 12.262 1.00 1.00 O ATOM 168 CB LYS A 11 99.257 14.659 12.080 1.00 1.00 C ATOM 169 CG LYS A 11 98.236 15.231 13.088 1.00 1.00 C ATOM 170 CD LYS A 11 98.071 16.736 12.879 1.00 1.00 C ATOM 171 CE LYS A 11 97.238 17.327 14.015 1.00 1.00 C ATOM 172 NZ LYS A 11 96.157 16.375 14.395 1.00 1.00 N ATOM 0 H LYS A 11 100.421 16.846 11.896 1.00 1.00 H new ATOM 0 HA LYS A 11 100.711 14.645 13.632 1.00 1.00 H new ATOM 0 HB2 LYS A 11 99.121 15.136 11.109 1.00 1.00 H new ATOM 0 HB3 LYS A 11 99.077 13.593 11.940 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.275 14.732 12.965 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.570 15.033 14.106 1.00 1.00 H new ATOM 0 HD2 LYS A 11 99.048 17.217 12.844 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.586 16.929 11.922 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.874 17.532 14.876 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.805 18.278 13.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.440 16.872 14.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.715 15.991 13.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.561 15.596 14.954 1.00 1.00 H new ATOM 186 N GLY A 12 102.066 14.472 10.648 1.00 1.00 N ATOM 187 CA GLY A 12 102.996 13.732 9.802 1.00 1.00 C ATOM 188 C GLY A 12 104.414 13.721 10.367 1.00 1.00 C ATOM 189 O GLY A 12 105.068 12.681 10.390 1.00 1.00 O ATOM 0 H GLY A 12 101.777 15.374 10.270 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.644 12.706 9.691 1.00 1.00 H new ATOM 0 HA3 GLY A 12 103.008 14.175 8.806 1.00 1.00 H new ATOM 193 N GLU A 13 104.890 14.869 10.838 1.00 1.00 N ATOM 194 CA GLU A 13 106.235 14.916 11.407 1.00 1.00 C ATOM 195 C GLU A 13 106.298 13.978 12.594 1.00 1.00 C ATOM 196 O GLU A 13 107.337 13.391 12.889 1.00 1.00 O ATOM 197 CB GLU A 13 106.604 16.339 11.850 1.00 1.00 C ATOM 198 CG GLU A 13 107.008 17.169 10.636 1.00 1.00 C ATOM 199 CD GLU A 13 107.303 18.605 11.051 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.659 19.385 10.187 1.00 1.00 O ATOM 201 OE2 GLU A 13 107.171 18.902 12.227 1.00 1.00 O ATOM 0 H GLU A 13 104.384 15.755 10.839 1.00 1.00 H new ATOM 0 HA GLU A 13 106.949 14.608 10.643 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.757 16.804 12.354 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.423 16.305 12.568 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.888 16.732 10.165 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.209 17.154 9.895 1.00 1.00 H new ATOM 208 N ALA A 14 105.164 13.837 13.259 1.00 1.00 N ATOM 209 CA ALA A 14 105.059 12.968 14.406 1.00 1.00 C ATOM 210 C ALA A 14 104.954 11.522 13.950 1.00 1.00 C ATOM 211 O ALA A 14 105.469 10.607 14.593 1.00 1.00 O ATOM 212 CB ALA A 14 103.825 13.343 15.225 1.00 1.00 C ATOM 0 H ALA A 14 104.299 14.320 13.017 1.00 1.00 H new ATOM 0 HA ALA A 14 105.949 13.083 15.025 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.749 12.685 16.090 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.912 14.376 15.561 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.933 13.236 14.608 1.00 1.00 H new ATOM 218 N PHE A 15 104.267 11.342 12.830 1.00 1.00 N ATOM 219 CA PHE A 15 104.053 10.028 12.250 1.00 1.00 C ATOM 220 C PHE A 15 105.373 9.384 11.866 1.00 1.00 C ATOM 221 O PHE A 15 105.652 8.246 12.244 1.00 1.00 O ATOM 222 CB PHE A 15 103.183 10.237 11.018 1.00 1.00 C ATOM 223 CG PHE A 15 102.708 8.942 10.437 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.339 8.425 9.308 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.594 8.297 10.982 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.858 7.261 8.719 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.122 7.120 10.400 1.00 1.00 C ATOM 228 CZ PHE A 15 101.753 6.605 9.266 1.00 1.00 C ATOM 0 H PHE A 15 103.844 12.104 12.300 1.00 1.00 H new ATOM 0 HA PHE A 15 103.572 9.361 12.965 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.323 10.852 11.282 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.748 10.786 10.265 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.200 8.927 8.891 1.00 1.00 H new ATOM 0 HD2 PHE A 15 101.101 8.708 11.850 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.339 6.864 7.838 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.271 6.609 10.825 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.386 5.697 8.811 1.00 1.00 H new ATOM 238 N LEU A 16 106.194 10.118 11.129 1.00 1.00 N ATOM 239 CA LEU A 16 107.491 9.588 10.732 1.00 1.00 C ATOM 240 C LEU A 16 108.358 9.424 11.961 1.00 1.00 C ATOM 241 O LEU A 16 109.109 8.459 12.082 1.00 1.00 O ATOM 242 CB LEU A 16 108.202 10.514 9.734 1.00 1.00 C ATOM 243 CG LEU A 16 107.581 10.396 8.325 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.383 11.347 8.172 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.644 10.738 7.279 1.00 1.00 C ATOM 0 H LEU A 16 105.992 11.062 10.799 1.00 1.00 H new ATOM 0 HA LEU A 16 107.328 8.627 10.245 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.135 11.546 10.079 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.261 10.261 9.690 1.00 1.00 H new ATOM 0 HG LEU A 16 107.228 9.375 8.181 1.00 1.00 H new ATOM 0 HD11 LEU A 16 105.963 11.245 7.171 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.623 11.096 8.912 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.713 12.375 8.324 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.212 10.657 6.281 1.00 1.00 H new ATOM 0 HD22 LEU A 16 108.998 11.756 7.439 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.480 10.045 7.370 1.00 1.00 H new ATOM 257 N THR A 17 108.249 10.381 12.866 1.00 1.00 N ATOM 258 CA THR A 17 109.032 10.341 14.086 1.00 1.00 C ATOM 259 C THR A 17 108.677 9.095 14.878 1.00 1.00 C ATOM 260 O THR A 17 109.546 8.420 15.426 1.00 1.00 O ATOM 261 CB THR A 17 108.769 11.581 14.937 1.00 1.00 C ATOM 262 OG1 THR A 17 109.149 12.743 14.215 1.00 1.00 O ATOM 263 CG2 THR A 17 109.584 11.495 16.215 1.00 1.00 C ATOM 0 H THR A 17 107.631 11.188 12.780 1.00 1.00 H new ATOM 0 HA THR A 17 110.089 10.320 13.820 1.00 1.00 H new ATOM 0 HB THR A 17 107.708 11.636 15.180 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.384 13.071 13.697 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.398 12.379 16.825 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.295 10.603 16.771 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.644 11.441 15.968 1.00 1.00 H new ATOM 271 N GLU A 18 107.387 8.810 14.947 1.00 1.00 N ATOM 272 CA GLU A 18 106.906 7.662 15.679 1.00 1.00 C ATOM 273 C GLU A 18 107.160 6.356 14.931 1.00 1.00 C ATOM 274 O GLU A 18 107.598 5.371 15.526 1.00 1.00 O ATOM 275 CB GLU A 18 105.413 7.823 15.966 1.00 1.00 C ATOM 276 CG GLU A 18 104.906 6.653 16.813 1.00 1.00 C ATOM 277 CD GLU A 18 103.432 6.854 17.145 1.00 1.00 C ATOM 278 OE1 GLU A 18 102.803 5.896 17.565 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.954 7.963 16.976 1.00 1.00 O ATOM 0 H GLU A 18 106.656 9.364 14.501 1.00 1.00 H new ATOM 0 HA GLU A 18 107.459 7.610 16.617 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.235 8.763 16.489 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.858 7.870 15.029 1.00 1.00 H new ATOM 0 HG2 GLU A 18 105.042 5.716 16.273 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.488 6.579 17.732 1.00 1.00 H new ATOM 286 N ASN A 19 106.844 6.334 13.640 1.00 1.00 N ATOM 287 CA ASN A 19 107.009 5.108 12.858 1.00 1.00 C ATOM 288 C ASN A 19 108.450 4.629 12.795 1.00 1.00 C ATOM 289 O ASN A 19 108.715 3.440 12.971 1.00 1.00 O ATOM 290 CB ASN A 19 106.502 5.321 11.440 1.00 1.00 C ATOM 291 CG ASN A 19 106.615 4.023 10.664 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.140 2.981 11.114 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.223 4.026 9.522 1.00 1.00 N ATOM 0 H ASN A 19 106.479 7.132 13.119 1.00 1.00 H new ATOM 0 HA ASN A 19 106.427 4.340 13.367 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.465 5.657 11.459 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.081 6.103 10.949 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.311 3.161 8.989 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.614 4.893 9.155 1.00 1.00 H new ATOM 300 N LYS A 20 109.381 5.529 12.551 1.00 1.00 N ATOM 301 CA LYS A 20 110.779 5.111 12.480 1.00 1.00 C ATOM 302 C LYS A 20 111.176 4.449 13.789 1.00 1.00 C ATOM 303 O LYS A 20 111.986 3.523 13.818 1.00 1.00 O ATOM 304 CB LYS A 20 111.701 6.300 12.213 1.00 1.00 C ATOM 305 CG LYS A 20 111.602 7.283 13.376 1.00 1.00 C ATOM 306 CD LYS A 20 112.310 8.596 13.014 1.00 1.00 C ATOM 307 CE LYS A 20 113.818 8.366 12.895 1.00 1.00 C ATOM 308 NZ LYS A 20 114.528 9.673 12.994 1.00 1.00 N ATOM 0 H LYS A 20 109.212 6.524 12.402 1.00 1.00 H new ATOM 0 HA LYS A 20 110.883 4.406 11.655 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.730 5.959 12.096 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.420 6.791 11.281 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.555 7.477 13.611 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.054 6.850 14.268 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.918 8.982 12.073 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.108 9.349 13.776 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.158 7.694 13.683 1.00 1.00 H new ATOM 0 HE3 LYS A 20 114.050 7.885 11.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.553 9.518 12.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 114.211 10.299 12.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.316 10.115 13.911 1.00 1.00 H new ATOM 322 N ASN A 21 110.592 4.942 14.874 1.00 1.00 N ATOM 323 CA ASN A 21 110.874 4.415 16.202 1.00 1.00 C ATOM 324 C ASN A 21 110.185 3.074 16.430 1.00 1.00 C ATOM 325 O ASN A 21 110.699 2.219 17.151 1.00 1.00 O ATOM 326 CB ASN A 21 110.419 5.423 17.263 1.00 1.00 C ATOM 327 CG ASN A 21 111.458 6.529 17.428 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.586 6.265 17.843 1.00 1.00 O ATOM 329 ND2 ASN A 21 111.141 7.758 17.126 1.00 1.00 N ATOM 0 H ASN A 21 109.919 5.708 14.859 1.00 1.00 H new ATOM 0 HA ASN A 21 111.949 4.255 16.282 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.461 5.856 16.975 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.266 4.914 18.215 1.00 1.00 H new ATOM 0 HD21 ASN A 21 111.829 8.503 17.234 1.00 1.00 H new ATOM 0 HD22 ASN A 21 110.205 7.974 16.782 1.00 1.00 H new ATOM 336 N LYS A 22 109.009 2.911 15.850 1.00 1.00 N ATOM 337 CA LYS A 22 108.252 1.687 16.045 1.00 1.00 C ATOM 338 C LYS A 22 109.043 0.441 15.577 1.00 1.00 C ATOM 339 O LYS A 22 109.675 0.481 14.522 1.00 1.00 O ATOM 340 CB LYS A 22 106.917 1.798 15.298 1.00 1.00 C ATOM 341 CG LYS A 22 105.920 2.716 16.066 1.00 1.00 C ATOM 342 CD LYS A 22 104.491 2.160 15.973 1.00 1.00 C ATOM 343 CE LYS A 22 103.984 2.256 14.535 1.00 1.00 C ATOM 344 NZ LYS A 22 102.870 1.285 14.340 1.00 1.00 N ATOM 0 H LYS A 22 108.562 3.601 15.247 1.00 1.00 H new ATOM 0 HA LYS A 22 108.065 1.560 17.111 1.00 1.00 H new ATOM 0 HB2 LYS A 22 107.088 2.198 14.298 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.482 0.806 15.175 1.00 1.00 H new ATOM 0 HG2 LYS A 22 106.219 2.792 17.111 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.952 3.723 15.651 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.474 1.122 16.304 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.831 2.718 16.638 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.640 3.269 14.325 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.794 2.043 13.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.522 1.348 13.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 103.214 0.321 14.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 102.096 1.508 14.998 1.00 1.00 H new ATOM 358 N PRO A 23 109.028 -0.664 16.330 1.00 1.00 N ATOM 359 CA PRO A 23 109.771 -1.919 15.950 1.00 1.00 C ATOM 360 C PRO A 23 109.454 -2.453 14.550 1.00 1.00 C ATOM 361 O PRO A 23 108.343 -2.310 14.039 1.00 1.00 O ATOM 362 CB PRO A 23 109.353 -2.953 17.008 1.00 1.00 C ATOM 363 CG PRO A 23 108.905 -2.156 18.182 1.00 1.00 C ATOM 364 CD PRO A 23 108.326 -0.851 17.627 1.00 1.00 C ATOM 0 HA PRO A 23 110.841 -1.711 15.921 1.00 1.00 H new ATOM 0 HB2 PRO A 23 108.551 -3.592 16.638 1.00 1.00 H new ATOM 0 HB3 PRO A 23 110.186 -3.606 17.270 1.00 1.00 H new ATOM 0 HG2 PRO A 23 108.155 -2.700 18.756 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.738 -1.955 18.855 1.00 1.00 H new ATOM 0 HD2 PRO A 23 107.247 -0.921 17.490 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.508 -0.015 18.303 1.00 1.00 H new ATOM 372 N GLY A 24 110.465 -3.087 13.961 1.00 1.00 N ATOM 373 CA GLY A 24 110.360 -3.684 12.636 1.00 1.00 C ATOM 374 C GLY A 24 110.522 -2.646 11.554 1.00 1.00 C ATOM 375 O GLY A 24 110.859 -2.971 10.418 1.00 1.00 O ATOM 0 H GLY A 24 111.382 -3.200 14.392 1.00 1.00 H new ATOM 0 HA2 GLY A 24 111.122 -4.455 12.521 1.00 1.00 H new ATOM 0 HA3 GLY A 24 109.392 -4.174 12.531 1.00 1.00 H new ATOM 379 N VAL A 25 110.278 -1.395 11.908 1.00 1.00 N ATOM 380 CA VAL A 25 110.393 -0.324 10.942 1.00 1.00 C ATOM 381 C VAL A 25 111.852 0.053 10.782 1.00 1.00 C ATOM 382 O VAL A 25 112.558 0.285 11.763 1.00 1.00 O ATOM 383 CB VAL A 25 109.628 0.923 11.414 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.712 2.031 10.363 1.00 1.00 C ATOM 385 CG2 VAL A 25 108.159 0.598 11.672 1.00 1.00 C ATOM 0 H VAL A 25 110.003 -1.102 12.845 1.00 1.00 H new ATOM 0 HA VAL A 25 109.974 -0.671 9.998 1.00 1.00 H new ATOM 0 HB VAL A 25 110.089 1.260 12.342 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.165 2.907 10.713 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.756 2.297 10.198 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.275 1.680 9.428 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.640 1.497 12.005 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.700 0.234 10.753 1.00 1.00 H new ATOM 0 HG23 VAL A 25 108.086 -0.169 12.443 1.00 1.00 H new ATOM 389 N VAL A 26 112.284 0.156 9.542 1.00 1.00 N ATOM 390 CA VAL A 26 113.658 0.561 9.243 1.00 1.00 C ATOM 391 C VAL A 26 113.615 1.887 8.506 1.00 1.00 C ATOM 392 O VAL A 26 113.007 1.981 7.445 1.00 1.00 O ATOM 393 CB VAL A 26 114.334 -0.492 8.367 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.765 -0.080 8.065 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.330 -1.831 9.083 1.00 1.00 C ATOM 0 H VAL A 26 111.710 -0.033 8.720 1.00 1.00 H new ATOM 0 HA VAL A 26 114.226 0.661 10.168 1.00 1.00 H new ATOM 0 HB VAL A 26 113.784 -0.579 7.430 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.238 -0.838 7.440 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.766 0.875 7.540 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.320 0.018 8.998 1.00 1.00 H new ATOM 0 HG21 VAL A 26 114.813 -2.580 8.456 1.00 1.00 H new ATOM 0 HG22 VAL A 26 114.872 -1.742 10.024 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.302 -2.133 9.283 1.00 1.00 H new ATOM 399 N VAL A 27 114.245 2.918 9.071 1.00 1.00 N ATOM 400 CA VAL A 27 114.236 4.242 8.446 1.00 1.00 C ATOM 401 C VAL A 27 115.471 4.460 7.609 1.00 1.00 C ATOM 402 O VAL A 27 116.554 3.964 7.920 1.00 1.00 O ATOM 403 CB VAL A 27 114.083 5.350 9.506 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.171 5.206 10.541 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.148 6.755 8.884 1.00 1.00 C ATOM 0 H VAL A 27 114.762 2.864 9.949 1.00 1.00 H new ATOM 0 HA VAL A 27 113.374 4.290 7.781 1.00 1.00 H new ATOM 0 HB VAL A 27 113.102 5.237 9.968 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.065 5.989 11.292 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.091 4.230 11.020 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.145 5.295 10.060 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.036 7.505 9.667 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.109 6.889 8.388 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.345 6.868 8.156 1.00 1.00 H new ATOM 409 N LEU A 28 115.278 5.200 6.518 1.00 1.00 N ATOM 410 CA LEU A 28 116.365 5.489 5.587 1.00 1.00 C ATOM 411 C LEU A 28 116.698 6.979 5.582 1.00 1.00 C ATOM 412 O LEU A 28 115.916 7.789 6.080 1.00 1.00 O ATOM 413 CB LEU A 28 115.957 5.062 4.173 1.00 1.00 C ATOM 414 CG LEU A 28 115.626 3.569 4.118 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.062 3.251 2.733 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.899 2.746 4.336 1.00 1.00 C ATOM 0 H LEU A 28 114.380 5.609 6.258 1.00 1.00 H new ATOM 0 HA LEU A 28 117.246 4.934 5.908 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.091 5.641 3.851 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.765 5.284 3.476 1.00 1.00 H new ATOM 0 HG LEU A 28 114.902 3.323 4.895 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.820 2.190 2.674 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.160 3.839 2.564 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.804 3.497 1.973 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.657 1.684 4.296 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.623 2.983 3.557 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.324 2.985 5.311 1.00 1.00 H new ATOM 428 N PRO A 29 117.831 7.368 5.032 1.00 1.00 N ATOM 429 CA PRO A 29 118.226 8.796 4.982 1.00 1.00 C ATOM 430 C PRO A 29 117.210 9.617 4.195 1.00 1.00 C ATOM 431 O PRO A 29 117.004 10.801 4.463 1.00 1.00 O ATOM 432 CB PRO A 29 119.603 8.792 4.301 1.00 1.00 C ATOM 433 CG PRO A 29 120.100 7.397 4.462 1.00 1.00 C ATOM 434 CD PRO A 29 118.860 6.525 4.398 1.00 1.00 C ATOM 0 HA PRO A 29 118.265 9.253 5.971 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.525 9.066 3.249 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.278 9.509 4.768 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.806 7.137 3.673 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.622 7.271 5.411 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.597 6.271 3.371 1.00 1.00 H new ATOM 0 HD3 PRO A 29 118.999 5.586 4.933 1.00 1.00 H new ATOM 442 N SER A 30 116.578 8.968 3.218 1.00 1.00 N ATOM 443 CA SER A 30 115.589 9.636 2.390 1.00 1.00 C ATOM 444 C SER A 30 114.359 9.963 3.220 1.00 1.00 C ATOM 445 O SER A 30 113.516 10.766 2.820 1.00 1.00 O ATOM 446 CB SER A 30 115.187 8.733 1.222 1.00 1.00 C ATOM 447 OG SER A 30 116.353 8.154 0.652 1.00 1.00 O ATOM 0 H SER A 30 116.735 7.987 2.986 1.00 1.00 H new ATOM 0 HA SER A 30 116.021 10.558 2.000 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.511 7.951 1.568 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.649 9.310 0.470 1.00 1.00 H new ATOM 0 HG SER A 30 116.098 7.574 -0.095 1.00 1.00 H new ATOM 453 N GLY A 31 114.263 9.323 4.380 1.00 1.00 N ATOM 454 CA GLY A 31 113.131 9.526 5.274 1.00 1.00 C ATOM 455 C GLY A 31 112.091 8.446 5.048 1.00 1.00 C ATOM 456 O GLY A 31 111.080 8.385 5.744 1.00 1.00 O ATOM 0 H GLY A 31 114.957 8.659 4.723 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.468 9.507 6.311 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.691 10.508 5.100 1.00 1.00 H new ATOM 460 N LEU A 32 112.357 7.577 4.075 1.00 1.00 N ATOM 461 CA LEU A 32 111.436 6.492 3.774 1.00 1.00 C ATOM 462 C LEU A 32 111.636 5.393 4.804 1.00 1.00 C ATOM 463 O LEU A 32 112.767 5.026 5.120 1.00 1.00 O ATOM 464 CB LEU A 32 111.694 5.962 2.342 1.00 1.00 C ATOM 465 CG LEU A 32 110.691 4.859 1.885 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.102 3.484 2.393 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.271 5.177 2.345 1.00 1.00 C ATOM 0 H LEU A 32 113.192 7.604 3.490 1.00 1.00 H new ATOM 0 HA LEU A 32 110.406 6.846 3.818 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.645 6.796 1.642 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.707 5.562 2.290 1.00 1.00 H new ATOM 0 HG LEU A 32 110.711 4.844 0.795 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.380 2.741 2.055 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.089 3.233 2.006 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.131 3.492 3.483 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.595 4.390 2.011 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.246 5.239 3.433 1.00 1.00 H new ATOM 0 HD23 LEU A 32 108.956 6.130 1.920 1.00 1.00 H new ATOM 479 N GLN A 33 110.534 4.876 5.338 1.00 1.00 N ATOM 480 CA GLN A 33 110.590 3.829 6.348 1.00 1.00 C ATOM 481 C GLN A 33 109.806 2.606 5.924 1.00 1.00 C ATOM 482 O GLN A 33 108.745 2.727 5.314 1.00 1.00 O ATOM 483 CB GLN A 33 109.989 4.369 7.644 1.00 1.00 C ATOM 484 CG GLN A 33 110.835 5.531 8.180 1.00 1.00 C ATOM 485 CD GLN A 33 110.202 6.876 7.893 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.266 6.982 7.100 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.669 7.918 8.500 1.00 1.00 N ATOM 0 H GLN A 33 109.589 5.167 5.086 1.00 1.00 H new ATOM 0 HA GLN A 33 111.632 3.539 6.485 1.00 1.00 H new ATOM 0 HB2 GLN A 33 108.968 4.706 7.467 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.938 3.574 8.388 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.968 5.416 9.256 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.827 5.494 7.730 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.445 7.822 9.155 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.262 8.836 8.323 1.00 1.00 H new ATOM 496 N TYR A 34 110.320 1.420 6.260 1.00 1.00 N ATOM 497 CA TYR A 34 109.623 0.191 5.909 1.00 1.00 C ATOM 498 C TYR A 34 109.696 -0.843 7.013 1.00 1.00 C ATOM 499 O TYR A 34 110.715 -1.008 7.684 1.00 1.00 O ATOM 500 CB TYR A 34 110.180 -0.385 4.607 1.00 1.00 C ATOM 501 CG TYR A 34 111.633 -0.747 4.775 1.00 1.00 C ATOM 502 CD1 TYR A 34 111.965 -1.946 5.394 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.642 0.097 4.293 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.306 -2.320 5.538 1.00 1.00 C ATOM 505 CE2 TYR A 34 113.987 -0.269 4.440 1.00 1.00 C ATOM 506 CZ TYR A 34 114.318 -1.479 5.063 1.00 1.00 C ATOM 507 OH TYR A 34 115.641 -1.844 5.202 1.00 1.00 O ATOM 0 H TYR A 34 111.197 1.290 6.764 1.00 1.00 H new ATOM 0 HA TYR A 34 108.572 0.445 5.769 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.609 -1.268 4.318 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.070 0.343 3.803 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.184 -2.593 5.766 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.384 1.028 3.809 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.559 -3.256 6.015 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.767 0.381 4.073 1.00 1.00 H new ATOM 0 HH TYR A 34 116.214 -1.148 4.818 1.00 1.00 H new ATOM 517 N LYS A 35 108.580 -1.553 7.170 1.00 1.00 N ATOM 518 CA LYS A 35 108.451 -2.605 8.159 1.00 1.00 C ATOM 519 C LYS A 35 108.049 -3.878 7.453 1.00 1.00 C ATOM 520 O LYS A 35 107.085 -3.907 6.689 1.00 1.00 O ATOM 521 CB LYS A 35 107.406 -2.222 9.215 1.00 1.00 C ATOM 522 CG LYS A 35 107.547 -3.102 10.456 1.00 1.00 C ATOM 523 CD LYS A 35 106.190 -3.475 11.098 1.00 1.00 C ATOM 524 CE LYS A 35 105.334 -4.270 10.145 1.00 1.00 C ATOM 525 NZ LYS A 35 104.399 -5.131 10.925 1.00 1.00 N ATOM 0 H LYS A 35 107.740 -1.409 6.609 1.00 1.00 H new ATOM 0 HA LYS A 35 109.402 -2.752 8.670 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.526 -1.174 9.490 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.404 -2.329 8.799 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.077 -4.016 10.187 1.00 1.00 H new ATOM 0 HG3 LYS A 35 108.160 -2.583 11.193 1.00 1.00 H new ATOM 0 HD2 LYS A 35 106.361 -4.054 12.006 1.00 1.00 H new ATOM 0 HD3 LYS A 35 105.663 -2.568 11.393 1.00 1.00 H new ATOM 0 HE2 LYS A 35 104.772 -3.598 9.496 1.00 1.00 H new ATOM 0 HE3 LYS A 35 105.962 -4.885 9.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 104.658 -6.130 10.796 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 104.460 -4.885 11.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 103.426 -4.980 10.590 1.00 1.00 H new ATOM 539 N VAL A 36 108.815 -4.923 7.689 1.00 1.00 N ATOM 540 CA VAL A 36 108.550 -6.205 7.034 1.00 1.00 C ATOM 541 C VAL A 36 107.468 -6.986 7.772 1.00 1.00 C ATOM 542 O VAL A 36 107.652 -7.429 8.902 1.00 1.00 O ATOM 543 CB VAL A 36 109.844 -7.027 6.931 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.530 -7.100 8.287 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.529 -8.447 6.433 1.00 1.00 C ATOM 0 H VAL A 36 109.617 -4.920 8.319 1.00 1.00 H new ATOM 0 HA VAL A 36 108.184 -6.005 6.027 1.00 1.00 H new ATOM 0 HB VAL A 36 110.511 -6.538 6.221 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.446 -7.685 8.201 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.773 -6.093 8.626 1.00 1.00 H new ATOM 0 HG13 VAL A 36 109.863 -7.574 9.007 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.453 -9.021 6.363 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.850 -8.935 7.132 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.061 -8.392 5.450 1.00 1.00 H new ATOM 549 N ILE A 37 106.327 -7.164 7.121 1.00 1.00 N ATOM 550 CA ILE A 37 105.248 -7.912 7.738 1.00 1.00 C ATOM 551 C ILE A 37 105.540 -9.392 7.660 1.00 1.00 C ATOM 552 O ILE A 37 105.295 -10.148 8.602 1.00 1.00 O ATOM 553 CB ILE A 37 103.903 -7.661 7.029 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.804 -6.203 6.561 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.743 -7.989 7.995 1.00 1.00 C ATOM 556 CD1 ILE A 37 104.015 -5.242 7.711 1.00 1.00 C ATOM 0 H ILE A 37 106.129 -6.808 6.186 1.00 1.00 H new ATOM 0 HA ILE A 37 105.177 -7.579 8.773 1.00 1.00 H new ATOM 0 HB ILE A 37 103.839 -8.306 6.153 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.548 -6.016 5.787 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.826 -6.028 6.113 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.791 -7.812 7.494 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.805 -9.035 8.296 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.813 -7.352 8.877 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.939 -4.217 7.347 1.00 1.00 H new ATOM 0 HD12 ILE A 37 103.255 -5.414 8.473 1.00 1.00 H new ATOM 0 HD13 ILE A 37 105.003 -5.402 8.142 1.00 1.00 H new ATOM 563 N ASN A 38 106.031 -9.798 6.503 1.00 1.00 N ATOM 564 CA ASN A 38 106.323 -11.191 6.246 1.00 1.00 C ATOM 565 C ASN A 38 107.564 -11.308 5.375 1.00 1.00 C ATOM 566 O ASN A 38 107.610 -10.735 4.292 1.00 1.00 O ATOM 567 CB ASN A 38 105.130 -11.805 5.521 1.00 1.00 C ATOM 568 CG ASN A 38 103.893 -11.746 6.415 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.161 -10.663 6.429 1.00 1.00 O flip ATOM 570 ND2 ASN A 38 103.595 -12.705 7.126 1.00 1.00 N flip ATOM 0 H ASN A 38 106.236 -9.174 5.722 1.00 1.00 H new ATOM 0 HA ASN A 38 106.504 -11.713 7.186 1.00 1.00 H new ATOM 0 HB2 ASN A 38 104.943 -11.269 4.591 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.348 -12.839 5.254 1.00 1.00 H new ATOM 0 HD21 ASN A 38 104.169 -13.548 7.112 1.00 1.00 H new ATOM 0 HD22 ASN A 38 102.774 -12.657 7.729 1.00 1.00 H new ATOM 577 N SER A 39 108.566 -12.042 5.839 1.00 1.00 N ATOM 578 CA SER A 39 109.787 -12.208 5.058 1.00 1.00 C ATOM 579 C SER A 39 109.605 -13.297 4.006 1.00 1.00 C ATOM 580 O SER A 39 109.169 -14.407 4.314 1.00 1.00 O ATOM 581 CB SER A 39 110.958 -12.564 5.968 1.00 1.00 C ATOM 582 OG SER A 39 110.969 -13.967 6.202 1.00 1.00 O ATOM 0 H SER A 39 108.561 -12.525 6.737 1.00 1.00 H new ATOM 0 HA SER A 39 110.000 -11.264 4.557 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.897 -12.254 5.508 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.874 -12.028 6.913 1.00 1.00 H new ATOM 0 HG SER A 39 110.156 -14.367 5.830 1.00 1.00 H new ATOM 588 N GLY A 40 109.951 -12.973 2.762 1.00 1.00 N ATOM 589 CA GLY A 40 109.839 -13.917 1.656 1.00 1.00 C ATOM 590 C GLY A 40 111.214 -14.207 1.075 1.00 1.00 C ATOM 591 O GLY A 40 111.512 -15.332 0.675 1.00 1.00 O ATOM 0 H GLY A 40 110.313 -12.058 2.495 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.380 -14.843 2.003 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.188 -13.508 0.883 1.00 1.00 H new ATOM 595 N ASN A 41 112.052 -13.178 1.052 1.00 1.00 N ATOM 596 CA ASN A 41 113.408 -13.309 0.540 1.00 1.00 C ATOM 597 C ASN A 41 113.415 -13.799 -0.904 1.00 1.00 C ATOM 598 O ASN A 41 114.344 -14.486 -1.330 1.00 1.00 O ATOM 599 CB ASN A 41 114.182 -14.276 1.429 1.00 1.00 C ATOM 600 CG ASN A 41 114.055 -13.841 2.886 1.00 1.00 C ATOM 601 OD1 ASN A 41 113.378 -12.761 3.180 1.00 1.00 O flip ATOM 602 ND2 ASN A 41 114.573 -14.509 3.781 1.00 1.00 N flip ATOM 0 H ASN A 41 111.815 -12.243 1.383 1.00 1.00 H new ATOM 0 HA ASN A 41 113.883 -12.328 0.554 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.796 -15.288 1.306 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.231 -14.297 1.135 1.00 1.00 H new ATOM 0 HD21 ASN A 41 115.100 -15.351 3.549 1.00 1.00 H new ATOM 0 HD22 ASN A 41 114.475 -14.221 4.754 1.00 1.00 H new ATOM 609 N GLY A 42 112.379 -13.434 -1.658 1.00 1.00 N ATOM 610 CA GLY A 42 112.277 -13.829 -3.057 1.00 1.00 C ATOM 611 C GLY A 42 112.890 -12.793 -3.979 1.00 1.00 C ATOM 612 O GLY A 42 113.653 -11.921 -3.564 1.00 1.00 O ATOM 0 H GLY A 42 111.601 -12.866 -1.322 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.777 -14.787 -3.202 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.229 -13.974 -3.319 1.00 1.00 H new ATOM 616 N VAL A 43 112.505 -12.896 -5.236 1.00 1.00 N ATOM 617 CA VAL A 43 112.945 -11.981 -6.265 1.00 1.00 C ATOM 618 C VAL A 43 112.326 -10.616 -6.014 1.00 1.00 C ATOM 619 O VAL A 43 111.603 -10.438 -5.046 1.00 1.00 O ATOM 620 CB VAL A 43 112.570 -12.507 -7.659 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.157 -13.898 -7.833 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.053 -12.580 -7.841 1.00 1.00 C ATOM 0 H VAL A 43 111.873 -13.623 -5.572 1.00 1.00 H new ATOM 0 HA VAL A 43 114.031 -11.893 -6.231 1.00 1.00 H new ATOM 0 HB VAL A 43 112.970 -11.820 -8.405 1.00 1.00 H new ATOM 0 HG11 VAL A 43 112.897 -14.282 -8.820 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.242 -13.850 -7.737 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.754 -14.561 -7.068 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.824 -12.956 -8.838 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.629 -13.251 -7.094 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.624 -11.585 -7.721 1.00 1.00 H new ATOM 626 N LYS A 44 112.604 -9.681 -6.904 1.00 1.00 N ATOM 627 CA LYS A 44 112.080 -8.315 -6.808 1.00 1.00 C ATOM 628 C LYS A 44 112.666 -7.459 -7.940 1.00 1.00 C ATOM 629 O LYS A 44 113.705 -7.797 -8.508 1.00 1.00 O ATOM 630 CB LYS A 44 112.372 -7.668 -5.416 1.00 1.00 C ATOM 631 CG LYS A 44 113.862 -7.267 -5.224 1.00 1.00 C ATOM 632 CD LYS A 44 114.661 -8.414 -4.557 1.00 1.00 C ATOM 633 CE LYS A 44 114.665 -8.260 -3.027 1.00 1.00 C ATOM 634 NZ LYS A 44 115.034 -9.564 -2.418 1.00 1.00 N ATOM 0 H LYS A 44 113.199 -9.839 -7.717 1.00 1.00 H new ATOM 0 HA LYS A 44 110.996 -8.362 -6.911 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.747 -6.783 -5.296 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.087 -8.368 -4.631 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.305 -7.024 -6.190 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.925 -6.369 -4.609 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.223 -9.374 -4.829 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.685 -8.414 -4.930 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.374 -7.489 -2.727 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.683 -7.944 -2.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 115.156 -9.446 -1.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.280 -10.257 -2.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 115.924 -9.903 -2.836 1.00 1.00 H new ATOM 648 N PRO A 45 111.963 -6.417 -8.336 1.00 1.00 N ATOM 649 CA PRO A 45 112.352 -5.555 -9.497 1.00 1.00 C ATOM 650 C PRO A 45 113.288 -4.396 -9.196 1.00 1.00 C ATOM 651 O PRO A 45 113.335 -3.880 -8.088 1.00 1.00 O ATOM 652 CB PRO A 45 110.999 -5.027 -9.984 1.00 1.00 C ATOM 653 CG PRO A 45 110.115 -4.988 -8.774 1.00 1.00 C ATOM 654 CD PRO A 45 110.719 -5.919 -7.717 1.00 1.00 C ATOM 0 HA PRO A 45 112.929 -6.137 -10.215 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.102 -4.035 -10.425 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.580 -5.676 -10.753 1.00 1.00 H new ATOM 0 HG2 PRO A 45 110.041 -3.971 -8.389 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.104 -5.306 -9.030 1.00 1.00 H new ATOM 0 HD2 PRO A 45 110.923 -5.387 -6.788 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.041 -6.737 -7.474 1.00 1.00 H new ATOM 662 N GLY A 46 113.968 -3.945 -10.247 1.00 1.00 N ATOM 663 CA GLY A 46 114.840 -2.791 -10.156 1.00 1.00 C ATOM 664 C GLY A 46 114.028 -1.555 -10.469 1.00 1.00 C ATOM 665 O GLY A 46 112.852 -1.642 -10.816 1.00 1.00 O ATOM 0 H GLY A 46 113.927 -4.368 -11.174 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.271 -2.719 -9.157 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.670 -2.887 -10.856 1.00 1.00 H new ATOM 669 N LYS A 47 114.653 -0.413 -10.341 1.00 1.00 N ATOM 670 CA LYS A 47 113.972 0.837 -10.601 1.00 1.00 C ATOM 671 C LYS A 47 113.318 0.832 -11.963 1.00 1.00 C ATOM 672 O LYS A 47 112.413 1.617 -12.228 1.00 1.00 O ATOM 673 CB LYS A 47 114.956 2.014 -10.516 1.00 1.00 C ATOM 674 CG LYS A 47 116.027 1.930 -11.631 1.00 1.00 C ATOM 675 CD LYS A 47 117.152 0.914 -11.270 1.00 1.00 C ATOM 676 CE LYS A 47 117.153 -0.279 -12.229 1.00 1.00 C ATOM 677 NZ LYS A 47 117.265 0.200 -13.637 1.00 1.00 N ATOM 0 H LYS A 47 115.629 -0.319 -10.060 1.00 1.00 H new ATOM 0 HA LYS A 47 113.199 0.952 -9.841 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.411 2.954 -10.602 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.442 2.015 -9.540 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.555 1.634 -12.568 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.464 2.916 -11.792 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.121 1.413 -11.306 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.012 0.562 -10.248 1.00 1.00 H new ATOM 0 HE2 LYS A 47 117.984 -0.944 -11.995 1.00 1.00 H new ATOM 0 HE3 LYS A 47 116.238 -0.857 -12.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 117.418 -0.612 -14.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 116.388 0.689 -13.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 118.067 0.857 -13.717 1.00 1.00 H new ATOM 691 N SER A 48 113.817 -0.027 -12.845 1.00 1.00 N ATOM 692 CA SER A 48 113.305 -0.080 -14.217 1.00 1.00 C ATOM 693 C SER A 48 112.466 -1.325 -14.508 1.00 1.00 C ATOM 694 O SER A 48 111.825 -1.399 -15.556 1.00 1.00 O ATOM 695 CB SER A 48 114.487 -0.024 -15.180 1.00 1.00 C ATOM 696 OG SER A 48 115.060 1.276 -15.138 1.00 1.00 O ATOM 0 H SER A 48 114.566 -0.690 -12.643 1.00 1.00 H new ATOM 0 HA SER A 48 112.641 0.775 -14.349 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.231 -0.772 -14.906 1.00 1.00 H new ATOM 0 HB3 SER A 48 114.158 -0.258 -16.193 1.00 1.00 H new ATOM 0 HG SER A 48 115.821 1.318 -15.754 1.00 1.00 H new ATOM 702 N ASP A 49 112.442 -2.293 -13.597 1.00 1.00 N ATOM 703 CA ASP A 49 111.631 -3.495 -13.832 1.00 1.00 C ATOM 704 C ASP A 49 110.211 -3.213 -13.375 1.00 1.00 C ATOM 705 O ASP A 49 109.977 -2.230 -12.675 1.00 1.00 O ATOM 706 CB ASP A 49 112.211 -4.690 -13.089 1.00 1.00 C ATOM 707 CG ASP A 49 113.523 -5.106 -13.731 1.00 1.00 C ATOM 708 OD1 ASP A 49 113.759 -4.706 -14.858 1.00 1.00 O ATOM 709 OD2 ASP A 49 114.273 -5.818 -13.085 1.00 1.00 O ATOM 0 H ASP A 49 112.955 -2.278 -12.715 1.00 1.00 H new ATOM 0 HA ASP A 49 111.633 -3.740 -14.894 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.372 -4.435 -12.042 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.506 -5.521 -13.110 1.00 1.00 H new ATOM 714 N THR A 50 109.257 -4.057 -13.769 1.00 1.00 N ATOM 715 CA THR A 50 107.860 -3.847 -13.377 1.00 1.00 C ATOM 716 C THR A 50 107.477 -4.830 -12.289 1.00 1.00 C ATOM 717 O THR A 50 108.062 -5.908 -12.177 1.00 1.00 O ATOM 718 CB THR A 50 106.927 -3.938 -14.594 1.00 1.00 C ATOM 719 OG1 THR A 50 107.474 -3.193 -15.671 1.00 1.00 O ATOM 720 CG2 THR A 50 105.555 -3.383 -14.241 1.00 1.00 C ATOM 0 H THR A 50 109.420 -4.880 -14.350 1.00 1.00 H new ATOM 0 HA THR A 50 107.750 -2.841 -12.973 1.00 1.00 H new ATOM 0 HB THR A 50 106.827 -4.983 -14.886 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.878 -3.254 -16.447 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.900 -3.452 -15.110 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.130 -3.960 -13.420 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.651 -2.340 -13.940 1.00 1.00 H new ATOM 728 N VAL A 51 106.540 -4.417 -11.434 1.00 1.00 N ATOM 729 CA VAL A 51 106.137 -5.231 -10.288 1.00 1.00 C ATOM 730 C VAL A 51 104.636 -5.450 -10.227 1.00 1.00 C ATOM 731 O VAL A 51 103.876 -4.728 -10.853 1.00 1.00 O ATOM 732 CB VAL A 51 106.615 -4.523 -9.010 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.718 -3.343 -8.639 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.676 -5.527 -7.865 1.00 1.00 C ATOM 0 H VAL A 51 106.048 -3.527 -11.513 1.00 1.00 H new ATOM 0 HA VAL A 51 106.591 -6.217 -10.387 1.00 1.00 H new ATOM 0 HB VAL A 51 107.610 -4.120 -9.199 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.093 -2.873 -7.730 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.719 -2.616 -9.451 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.701 -3.698 -8.471 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.015 -5.025 -6.959 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.685 -5.948 -7.697 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.372 -6.327 -8.119 1.00 1.00 H new ATOM 738 N THR A 52 104.221 -6.446 -9.434 1.00 1.00 N ATOM 739 CA THR A 52 102.797 -6.748 -9.248 1.00 1.00 C ATOM 740 C THR A 52 102.521 -6.883 -7.747 1.00 1.00 C ATOM 741 O THR A 52 103.152 -7.701 -7.078 1.00 1.00 O ATOM 742 CB THR A 52 102.472 -8.053 -9.971 1.00 1.00 C ATOM 743 OG1 THR A 52 102.742 -7.909 -11.357 1.00 1.00 O ATOM 744 CG2 THR A 52 101.008 -8.414 -9.773 1.00 1.00 C ATOM 0 H THR A 52 104.851 -7.055 -8.912 1.00 1.00 H new ATOM 0 HA THR A 52 102.174 -5.953 -9.657 1.00 1.00 H new ATOM 0 HB THR A 52 103.092 -8.849 -9.558 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.068 -8.760 -11.717 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.790 -9.346 -10.294 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.804 -8.536 -8.709 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.380 -7.619 -10.174 1.00 1.00 H new ATOM 752 N VAL A 53 101.626 -6.043 -7.202 1.00 1.00 N ATOM 753 CA VAL A 53 101.371 -6.064 -5.749 1.00 1.00 C ATOM 754 C VAL A 53 99.935 -5.689 -5.350 1.00 1.00 C ATOM 755 O VAL A 53 99.216 -5.046 -6.114 1.00 1.00 O ATOM 756 CB VAL A 53 102.287 -5.008 -5.126 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.733 -5.272 -5.542 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.874 -3.590 -5.626 1.00 1.00 C ATOM 0 H VAL A 53 101.080 -5.359 -7.726 1.00 1.00 H new ATOM 0 HA VAL A 53 101.546 -7.084 -5.407 1.00 1.00 H new ATOM 0 HB VAL A 53 102.197 -5.059 -4.041 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.383 -4.519 -5.097 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.036 -6.261 -5.198 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.814 -5.225 -6.628 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.529 -2.842 -5.180 1.00 1.00 H new ATOM 0 HG22 VAL A 53 101.961 -3.547 -6.712 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.843 -3.388 -5.337 1.00 1.00 H new ATOM 762 N GLU A 54 99.580 -5.991 -4.085 1.00 1.00 N ATOM 763 CA GLU A 54 98.275 -5.585 -3.518 1.00 1.00 C ATOM 764 C GLU A 54 98.590 -4.663 -2.337 1.00 1.00 C ATOM 765 O GLU A 54 99.643 -4.816 -1.718 1.00 1.00 O ATOM 766 CB GLU A 54 97.422 -6.764 -2.996 1.00 1.00 C ATOM 767 CG GLU A 54 97.437 -7.973 -3.947 1.00 1.00 C ATOM 768 CD GLU A 54 97.230 -9.287 -3.186 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.068 -9.243 -1.977 1.00 1.00 O ATOM 770 OE2 GLU A 54 97.229 -10.323 -3.831 1.00 1.00 O ATOM 0 H GLU A 54 100.173 -6.511 -3.439 1.00 1.00 H new ATOM 0 HA GLU A 54 97.692 -5.112 -4.308 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.793 -7.071 -2.018 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.394 -6.430 -2.856 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.654 -7.858 -4.696 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.387 -8.006 -4.481 1.00 1.00 H new ATOM 777 N TYR A 55 97.744 -3.669 -2.039 1.00 1.00 N ATOM 778 CA TYR A 55 98.098 -2.756 -0.955 1.00 1.00 C ATOM 779 C TYR A 55 96.936 -1.915 -0.423 1.00 1.00 C ATOM 780 O TYR A 55 95.937 -1.703 -1.108 1.00 1.00 O ATOM 781 CB TYR A 55 99.121 -1.800 -1.535 1.00 1.00 C ATOM 782 CG TYR A 55 98.491 -1.196 -2.770 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.638 -0.096 -2.653 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.716 -1.767 -4.025 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.010 0.438 -3.782 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.094 -1.229 -5.157 1.00 1.00 C ATOM 787 CZ TYR A 55 97.239 -0.129 -5.037 1.00 1.00 C ATOM 788 OH TYR A 55 96.624 0.396 -6.155 1.00 1.00 O ATOM 0 H TYR A 55 96.857 -3.484 -2.507 1.00 1.00 H new ATOM 0 HA TYR A 55 98.451 -3.356 -0.116 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.381 -1.025 -0.814 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.043 -2.324 -1.786 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.462 0.345 -1.683 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.369 -2.622 -4.121 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.350 1.287 -3.684 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.275 -1.665 -6.128 1.00 1.00 H new ATOM 0 HH TYR A 55 96.892 -0.116 -6.947 1.00 1.00 H new ATOM 798 N THR A 56 97.133 -1.360 0.788 1.00 1.00 N ATOM 799 CA THR A 56 96.157 -0.445 1.398 1.00 1.00 C ATOM 800 C THR A 56 96.856 0.874 1.694 1.00 1.00 C ATOM 801 O THR A 56 97.953 0.881 2.219 1.00 1.00 O ATOM 802 CB THR A 56 95.480 -1.028 2.657 1.00 1.00 C ATOM 803 OG1 THR A 56 94.412 -1.874 2.262 1.00 1.00 O ATOM 804 CG2 THR A 56 94.904 0.096 3.527 1.00 1.00 C ATOM 0 H THR A 56 97.960 -1.531 1.361 1.00 1.00 H new ATOM 0 HA THR A 56 95.343 -0.287 0.690 1.00 1.00 H new ATOM 0 HB THR A 56 96.225 -1.584 3.226 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.290 -2.580 2.930 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.431 -0.334 4.410 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.707 0.765 3.835 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.164 0.656 2.955 1.00 1.00 H new ATOM 812 N GLY A 57 96.230 1.993 1.330 1.00 1.00 N ATOM 813 CA GLY A 57 96.847 3.313 1.550 1.00 1.00 C ATOM 814 C GLY A 57 96.007 4.184 2.470 1.00 1.00 C ATOM 815 O GLY A 57 94.785 4.249 2.325 1.00 1.00 O ATOM 0 H GLY A 57 95.311 2.020 0.888 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.840 3.183 1.980 1.00 1.00 H new ATOM 0 HA3 GLY A 57 96.978 3.817 0.592 1.00 1.00 H new ATOM 819 N ARG A 58 96.662 4.864 3.427 1.00 1.00 N ATOM 820 CA ARG A 58 95.939 5.726 4.349 1.00 1.00 C ATOM 821 C ARG A 58 96.761 6.929 4.811 1.00 1.00 C ATOM 822 O ARG A 58 97.978 6.988 4.635 1.00 1.00 O ATOM 823 CB ARG A 58 95.449 4.908 5.557 1.00 1.00 C ATOM 824 CG ARG A 58 96.553 4.740 6.634 1.00 1.00 C ATOM 825 CD ARG A 58 95.936 4.212 7.932 1.00 1.00 C ATOM 826 NE ARG A 58 95.726 2.762 7.848 1.00 1.00 N ATOM 827 CZ ARG A 58 96.465 1.889 8.541 1.00 1.00 C ATOM 828 NH1 ARG A 58 97.449 2.293 9.301 1.00 1.00 N ATOM 829 NH2 ARG A 58 96.206 0.613 8.449 1.00 1.00 N ATOM 0 H ARG A 58 97.671 4.829 3.573 1.00 1.00 H new ATOM 0 HA ARG A 58 95.083 6.129 3.807 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.583 5.400 6.000 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.120 3.925 5.219 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.319 4.051 6.278 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.044 5.696 6.817 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.590 4.443 8.773 1.00 1.00 H new ATOM 0 HD3 ARG A 58 94.986 4.713 8.120 1.00 1.00 H new ATOM 0 HE ARG A 58 94.989 2.407 7.239 1.00 1.00 H new ATOM 0 HH11 ARG A 58 97.663 3.288 9.372 1.00 1.00 H new ATOM 0 HH12 ARG A 58 98.003 1.613 9.823 1.00 1.00 H new ATOM 0 HH21 ARG A 58 95.445 0.289 7.852 1.00 1.00 H new ATOM 0 HH22 ARG A 58 96.765 -0.060 8.974 1.00 1.00 H new ATOM 843 N LEU A 59 96.056 7.868 5.438 1.00 1.00 N ATOM 844 CA LEU A 59 96.664 9.079 5.988 1.00 1.00 C ATOM 845 C LEU A 59 97.222 8.824 7.391 1.00 1.00 C ATOM 846 O LEU A 59 96.855 7.858 8.060 1.00 1.00 O ATOM 847 CB LEU A 59 95.588 10.184 6.085 1.00 1.00 C ATOM 848 CG LEU A 59 95.653 11.159 4.895 1.00 1.00 C ATOM 849 CD1 LEU A 59 95.019 10.527 3.668 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.899 12.453 5.219 1.00 1.00 C ATOM 0 H LEU A 59 95.047 7.812 5.579 1.00 1.00 H new ATOM 0 HA LEU A 59 97.479 9.384 5.331 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.600 9.725 6.124 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.720 10.738 7.015 1.00 1.00 H new ATOM 0 HG LEU A 59 96.702 11.385 4.701 1.00 1.00 H new ATOM 0 HD11 LEU A 59 95.070 11.225 2.832 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.555 9.613 3.411 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.976 10.289 3.879 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.956 13.130 4.367 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.855 12.222 5.431 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.349 12.928 6.090 1.00 1.00 H new ATOM 862 N ILE A 60 98.075 9.740 7.833 1.00 1.00 N ATOM 863 CA ILE A 60 98.656 9.674 9.172 1.00 1.00 C ATOM 864 C ILE A 60 97.551 9.730 10.209 1.00 1.00 C ATOM 865 O ILE A 60 97.696 9.288 11.348 1.00 1.00 O ATOM 866 CB ILE A 60 99.605 10.868 9.413 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.858 12.223 9.604 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.570 11.005 8.248 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.133 12.664 8.338 1.00 1.00 C ATOM 0 H ILE A 60 98.382 10.542 7.282 1.00 1.00 H new ATOM 0 HA ILE A 60 99.214 8.741 9.255 1.00 1.00 H new ATOM 0 HB ILE A 60 100.136 10.652 10.340 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.139 12.128 10.418 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.573 12.992 9.898 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.236 11.849 8.425 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.158 10.092 8.153 1.00 1.00 H new ATOM 0 HG23 ILE A 60 100.009 11.172 7.329 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.628 13.612 8.520 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.854 12.786 7.530 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.398 11.909 8.058 1.00 1.00 H new ATOM 876 N ASP A 61 96.467 10.336 9.783 1.00 1.00 N ATOM 877 CA ASP A 61 95.298 10.556 10.620 1.00 1.00 C ATOM 878 C ASP A 61 94.319 9.400 10.531 1.00 1.00 C ATOM 879 O ASP A 61 93.273 9.410 11.178 1.00 1.00 O ATOM 880 CB ASP A 61 94.634 11.855 10.176 1.00 1.00 C ATOM 881 CG ASP A 61 93.489 12.218 11.117 1.00 1.00 C ATOM 882 OD1 ASP A 61 93.713 12.231 12.316 1.00 1.00 O ATOM 883 OD2 ASP A 61 92.404 12.477 10.622 1.00 1.00 O ATOM 0 H ASP A 61 96.366 10.697 8.834 1.00 1.00 H new ATOM 0 HA ASP A 61 95.610 10.625 11.662 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.369 12.660 10.161 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.257 11.749 9.159 1.00 1.00 H new ATOM 888 N GLY A 62 94.671 8.391 9.743 1.00 1.00 N ATOM 889 CA GLY A 62 93.822 7.218 9.596 1.00 1.00 C ATOM 890 C GLY A 62 92.837 7.356 8.439 1.00 1.00 C ATOM 891 O GLY A 62 92.107 6.414 8.135 1.00 1.00 O ATOM 0 H GLY A 62 95.534 8.362 9.199 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.446 6.339 9.436 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.271 7.053 10.522 1.00 1.00 H new ATOM 895 N THR A 63 92.806 8.522 7.794 1.00 1.00 N ATOM 896 CA THR A 63 91.881 8.714 6.680 1.00 1.00 C ATOM 897 C THR A 63 92.304 7.859 5.496 1.00 1.00 C ATOM 898 O THR A 63 93.255 8.187 4.789 1.00 1.00 O ATOM 899 CB THR A 63 91.827 10.182 6.250 1.00 1.00 C ATOM 900 OG1 THR A 63 91.748 11.014 7.399 1.00 1.00 O ATOM 901 CG2 THR A 63 90.600 10.403 5.372 1.00 1.00 C ATOM 0 H THR A 63 93.393 9.326 8.015 1.00 1.00 H new ATOM 0 HA THR A 63 90.889 8.414 7.016 1.00 1.00 H new ATOM 0 HB THR A 63 92.728 10.432 5.689 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.715 11.953 7.121 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.557 11.447 5.063 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.664 9.766 4.490 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.700 10.154 5.935 1.00 1.00 H new ATOM 909 N VAL A 64 91.586 6.763 5.282 1.00 1.00 N ATOM 910 CA VAL A 64 91.901 5.874 4.173 1.00 1.00 C ATOM 911 C VAL A 64 91.402 6.464 2.880 1.00 1.00 C ATOM 912 O VAL A 64 90.212 6.744 2.724 1.00 1.00 O ATOM 913 CB VAL A 64 91.298 4.492 4.413 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.620 3.552 3.245 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.872 3.924 5.703 1.00 1.00 C ATOM 0 H VAL A 64 90.793 6.472 5.853 1.00 1.00 H new ATOM 0 HA VAL A 64 92.983 5.762 4.103 1.00 1.00 H new ATOM 0 HB VAL A 64 90.215 4.581 4.492 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.182 2.572 3.435 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.207 3.962 2.323 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.701 3.453 3.145 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.449 2.936 5.886 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.955 3.844 5.615 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.623 4.585 6.534 1.00 1.00 H new ATOM 919 N PHE A 65 92.337 6.673 1.954 1.00 1.00 N ATOM 920 CA PHE A 65 92.004 7.263 0.663 1.00 1.00 C ATOM 921 C PHE A 65 92.129 6.263 -0.469 1.00 1.00 C ATOM 922 O PHE A 65 91.610 6.487 -1.563 1.00 1.00 O ATOM 923 CB PHE A 65 92.869 8.493 0.425 1.00 1.00 C ATOM 924 CG PHE A 65 94.322 8.146 0.185 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.128 7.765 1.259 1.00 1.00 C ATOM 926 CD2 PHE A 65 94.874 8.255 -1.101 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.485 7.491 1.058 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.233 7.973 -1.302 1.00 1.00 C ATOM 929 CZ PHE A 65 97.039 7.594 -0.220 1.00 1.00 C ATOM 0 H PHE A 65 93.324 6.444 2.074 1.00 1.00 H new ATOM 0 HA PHE A 65 90.958 7.568 0.684 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.484 9.042 -0.434 1.00 1.00 H new ATOM 0 HB3 PHE A 65 92.795 9.156 1.287 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.703 7.681 2.248 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.254 8.555 -1.933 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.105 7.199 1.893 1.00 1.00 H new ATOM 0 HE2 PHE A 65 96.659 8.048 -2.292 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.087 7.382 -0.374 1.00 1.00 H new ATOM 939 N ASP A 66 92.776 5.143 -0.202 1.00 1.00 N ATOM 940 CA ASP A 66 92.902 4.109 -1.222 1.00 1.00 C ATOM 941 C ASP A 66 93.213 2.759 -0.609 1.00 1.00 C ATOM 942 O ASP A 66 93.892 2.668 0.414 1.00 1.00 O ATOM 943 CB ASP A 66 93.989 4.469 -2.230 1.00 1.00 C ATOM 944 CG ASP A 66 93.859 3.581 -3.468 1.00 1.00 C ATOM 945 OD1 ASP A 66 92.772 3.077 -3.699 1.00 1.00 O ATOM 946 OD2 ASP A 66 94.848 3.410 -4.162 1.00 1.00 O ATOM 0 H ASP A 66 93.215 4.925 0.692 1.00 1.00 H new ATOM 0 HA ASP A 66 91.942 4.047 -1.734 1.00 1.00 H new ATOM 0 HB2 ASP A 66 93.903 5.518 -2.513 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.973 4.340 -1.780 1.00 1.00 H new ATOM 951 N SER A 67 92.723 1.706 -1.261 1.00 1.00 N ATOM 952 CA SER A 67 92.960 0.352 -0.792 1.00 1.00 C ATOM 953 C SER A 67 92.903 -0.654 -1.935 1.00 1.00 C ATOM 954 O SER A 67 92.292 -0.397 -2.973 1.00 1.00 O ATOM 955 CB SER A 67 91.958 -0.007 0.300 1.00 1.00 C ATOM 956 OG SER A 67 90.642 0.031 -0.236 1.00 1.00 O ATOM 0 H SER A 67 92.163 1.769 -2.111 1.00 1.00 H new ATOM 0 HA SER A 67 93.966 0.309 -0.374 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.173 -1.000 0.694 1.00 1.00 H new ATOM 0 HB3 SER A 67 92.044 0.692 1.132 1.00 1.00 H new ATOM 0 HG SER A 67 89.997 -0.201 0.464 1.00 1.00 H new ATOM 962 N THR A 68 93.565 -1.799 -1.741 1.00 1.00 N ATOM 963 CA THR A 68 93.605 -2.838 -2.772 1.00 1.00 C ATOM 964 C THR A 68 93.853 -4.206 -2.151 1.00 1.00 C ATOM 965 O THR A 68 93.271 -5.203 -2.564 1.00 1.00 O ATOM 966 CB THR A 68 94.724 -2.529 -3.770 1.00 1.00 C ATOM 967 OG1 THR A 68 94.538 -1.226 -4.303 1.00 1.00 O ATOM 968 CG2 THR A 68 94.712 -3.557 -4.903 1.00 1.00 C ATOM 0 H THR A 68 94.075 -2.028 -0.888 1.00 1.00 H new ATOM 0 HA THR A 68 92.642 -2.852 -3.283 1.00 1.00 H new ATOM 0 HB THR A 68 95.685 -2.577 -3.257 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.402 -0.766 -4.351 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.511 -3.330 -5.609 1.00 1.00 H new ATOM 0 HG22 THR A 68 94.864 -4.555 -4.491 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.752 -3.520 -5.418 1.00 1.00 H new ATOM 976 N GLU A 69 94.721 -4.249 -1.156 1.00 1.00 N ATOM 977 CA GLU A 69 95.024 -5.506 -0.491 1.00 1.00 C ATOM 978 C GLU A 69 93.782 -6.044 0.183 1.00 1.00 C ATOM 979 O GLU A 69 93.633 -7.253 0.356 1.00 1.00 O ATOM 980 CB GLU A 69 96.173 -5.341 0.479 1.00 1.00 C ATOM 981 CG GLU A 69 95.842 -4.298 1.524 1.00 1.00 C ATOM 982 CD GLU A 69 94.887 -4.870 2.567 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.806 -6.084 2.664 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.259 -4.089 3.262 1.00 1.00 O ATOM 0 H GLU A 69 95.224 -3.439 -0.793 1.00 1.00 H new ATOM 0 HA GLU A 69 95.343 -6.236 -1.235 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.387 -6.294 0.963 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.073 -5.049 -0.062 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.757 -3.957 2.008 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.390 -3.428 1.047 1.00 1.00 H new ATOM 991 N LYS A 70 92.871 -5.146 0.535 1.00 1.00 N ATOM 992 CA LYS A 70 91.634 -5.569 1.152 1.00 1.00 C ATOM 993 C LYS A 70 90.976 -6.557 0.202 1.00 1.00 C ATOM 994 O LYS A 70 90.477 -7.607 0.606 1.00 1.00 O ATOM 995 CB LYS A 70 90.717 -4.362 1.380 1.00 1.00 C ATOM 996 CG LYS A 70 91.415 -3.337 2.276 1.00 1.00 C ATOM 997 CD LYS A 70 91.292 -3.728 3.768 1.00 1.00 C ATOM 998 CE LYS A 70 90.042 -3.085 4.382 1.00 1.00 C ATOM 999 NZ LYS A 70 90.136 -1.601 4.263 1.00 1.00 N ATOM 0 H LYS A 70 92.967 -4.139 0.404 1.00 1.00 H new ATOM 0 HA LYS A 70 91.822 -6.031 2.121 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.458 -3.906 0.425 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.784 -4.686 1.842 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.467 -3.265 2.001 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.976 -2.352 2.117 1.00 1.00 H new ATOM 0 HD2 LYS A 70 91.237 -4.812 3.864 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.180 -3.405 4.311 1.00 1.00 H new ATOM 0 HE2 LYS A 70 89.148 -3.445 3.873 1.00 1.00 H new ATOM 0 HE3 LYS A 70 89.950 -3.371 5.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 89.659 -1.157 5.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 91.136 -1.316 4.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 89.679 -1.294 3.381 1.00 1.00 H new ATOM 1013 N THR A 71 91.049 -6.213 -1.076 1.00 1.00 N ATOM 1014 CA THR A 71 90.532 -7.062 -2.134 1.00 1.00 C ATOM 1015 C THR A 71 91.506 -8.210 -2.371 1.00 1.00 C ATOM 1016 O THR A 71 91.110 -9.323 -2.715 1.00 1.00 O ATOM 1017 CB THR A 71 90.361 -6.250 -3.415 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.630 -5.955 -3.977 1.00 1.00 O ATOM 1019 CG2 THR A 71 89.623 -4.949 -3.096 1.00 1.00 C ATOM 0 H THR A 71 91.466 -5.342 -1.405 1.00 1.00 H new ATOM 0 HA THR A 71 89.561 -7.462 -1.842 1.00 1.00 H new ATOM 0 HB THR A 71 89.783 -6.831 -4.134 1.00 1.00 H new ATOM 0 HG1 THR A 71 92.137 -5.387 -3.360 1.00 1.00 H new ATOM 0 HG21 THR A 71 89.500 -4.367 -4.009 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.643 -5.180 -2.678 1.00 1.00 H new ATOM 0 HG23 THR A 71 90.199 -4.372 -2.373 1.00 1.00 H new ATOM 1027 N GLY A 72 92.791 -7.918 -2.174 1.00 1.00 N ATOM 1028 CA GLY A 72 93.835 -8.912 -2.354 1.00 1.00 C ATOM 1029 C GLY A 72 94.167 -9.089 -3.824 1.00 1.00 C ATOM 1030 O GLY A 72 94.810 -10.065 -4.212 1.00 1.00 O ATOM 0 H GLY A 72 93.129 -6.999 -1.889 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.729 -8.609 -1.809 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.513 -9.864 -1.933 1.00 1.00 H new ATOM 1034 N LYS A 73 93.724 -8.143 -4.647 1.00 1.00 N ATOM 1035 CA LYS A 73 93.981 -8.221 -6.092 1.00 1.00 C ATOM 1036 C LYS A 73 95.205 -7.391 -6.475 1.00 1.00 C ATOM 1037 O LYS A 73 95.195 -6.172 -6.304 1.00 1.00 O ATOM 1038 CB LYS A 73 92.744 -7.716 -6.846 1.00 1.00 C ATOM 1039 CG LYS A 73 91.702 -8.843 -6.972 1.00 1.00 C ATOM 1040 CD LYS A 73 90.298 -8.244 -7.041 1.00 1.00 C ATOM 1041 CE LYS A 73 89.304 -9.299 -7.533 1.00 1.00 C ATOM 1042 NZ LYS A 73 89.742 -10.651 -7.081 1.00 1.00 N ATOM 0 H LYS A 73 93.193 -7.324 -4.350 1.00 1.00 H new ATOM 0 HA LYS A 73 94.183 -9.258 -6.362 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.310 -6.866 -6.319 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.031 -7.364 -7.837 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.899 -9.435 -7.866 1.00 1.00 H new ATOM 0 HG3 LYS A 73 91.778 -9.518 -6.120 1.00 1.00 H new ATOM 0 HD2 LYS A 73 89.999 -7.881 -6.057 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.292 -7.385 -7.713 1.00 1.00 H new ATOM 0 HE2 LYS A 73 88.308 -9.081 -7.148 1.00 1.00 H new ATOM 0 HE3 LYS A 73 89.239 -9.272 -8.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 88.952 -11.321 -7.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 90.538 -10.972 -7.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 90.042 -10.604 -6.086 1.00 1.00 H new ATOM 1056 N PRO A 74 96.280 -8.010 -6.957 1.00 1.00 N ATOM 1057 CA PRO A 74 97.511 -7.264 -7.310 1.00 1.00 C ATOM 1058 C PRO A 74 97.324 -6.224 -8.409 1.00 1.00 C ATOM 1059 O PRO A 74 96.483 -6.361 -9.297 1.00 1.00 O ATOM 1060 CB PRO A 74 98.512 -8.345 -7.742 1.00 1.00 C ATOM 1061 CG PRO A 74 97.976 -9.613 -7.195 1.00 1.00 C ATOM 1062 CD PRO A 74 96.478 -9.457 -7.211 1.00 1.00 C ATOM 0 HA PRO A 74 97.848 -6.677 -6.456 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.598 -8.390 -8.828 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.508 -8.138 -7.351 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.288 -10.464 -7.800 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.341 -9.789 -6.183 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.053 -9.759 -8.168 1.00 1.00 H new ATOM 0 HD3 PRO A 74 96.002 -10.068 -6.444 1.00 1.00 H new ATOM 1070 N ALA A 75 98.163 -5.201 -8.334 1.00 1.00 N ATOM 1071 CA ALA A 75 98.179 -4.112 -9.309 1.00 1.00 C ATOM 1072 C ALA A 75 99.597 -4.004 -9.864 1.00 1.00 C ATOM 1073 O ALA A 75 100.551 -4.338 -9.163 1.00 1.00 O ATOM 1074 CB ALA A 75 97.777 -2.795 -8.642 1.00 1.00 C ATOM 0 H ALA A 75 98.856 -5.099 -7.593 1.00 1.00 H new ATOM 0 HA ALA A 75 97.469 -4.314 -10.111 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.794 -1.993 -9.380 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.772 -2.888 -8.230 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.478 -2.564 -7.840 1.00 1.00 H new ATOM 1080 N THR A 76 99.747 -3.559 -11.112 1.00 1.00 N ATOM 1081 CA THR A 76 101.080 -3.455 -11.714 1.00 1.00 C ATOM 1082 C THR A 76 101.554 -2.020 -11.854 1.00 1.00 C ATOM 1083 O THR A 76 100.819 -1.142 -12.305 1.00 1.00 O ATOM 1084 CB THR A 76 101.089 -4.116 -13.090 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.278 -3.751 -13.778 1.00 1.00 O ATOM 1086 CG2 THR A 76 99.871 -3.657 -13.892 1.00 1.00 C ATOM 0 H THR A 76 98.979 -3.269 -11.718 1.00 1.00 H new ATOM 0 HA THR A 76 101.765 -3.967 -11.038 1.00 1.00 H new ATOM 0 HB THR A 76 101.052 -5.199 -12.973 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.288 -4.175 -14.662 1.00 1.00 H new ATOM 0 HG21 THR A 76 99.882 -4.131 -14.873 1.00 1.00 H new ATOM 0 HG22 THR A 76 98.960 -3.938 -13.363 1.00 1.00 H new ATOM 0 HG23 THR A 76 99.902 -2.574 -14.012 1.00 1.00 H new ATOM 1094 N PHE A 77 102.822 -1.811 -11.497 1.00 1.00 N ATOM 1095 CA PHE A 77 103.453 -0.506 -11.613 1.00 1.00 C ATOM 1096 C PHE A 77 104.895 -0.691 -11.994 1.00 1.00 C ATOM 1097 O PHE A 77 105.539 -1.658 -11.591 1.00 1.00 O ATOM 1098 CB PHE A 77 103.473 0.265 -10.293 1.00 1.00 C ATOM 1099 CG PHE A 77 102.105 0.310 -9.691 1.00 1.00 C ATOM 1100 CD1 PHE A 77 101.839 -0.432 -8.544 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.103 1.082 -10.284 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.563 -0.409 -7.982 1.00 1.00 C ATOM 1103 CE2 PHE A 77 99.828 1.113 -9.722 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.555 0.367 -8.572 1.00 1.00 C ATOM 0 H PHE A 77 103.432 -2.538 -11.123 1.00 1.00 H new ATOM 0 HA PHE A 77 102.875 0.048 -12.353 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.167 -0.209 -9.599 1.00 1.00 H new ATOM 0 HB3 PHE A 77 103.835 1.279 -10.463 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.619 -1.025 -8.090 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.316 1.653 -11.176 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.352 -0.987 -7.095 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.052 1.713 -10.174 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.567 0.388 -8.137 1.00 1.00 H new ATOM 1114 N GLN A 78 105.427 0.280 -12.686 1.00 1.00 N ATOM 1115 CA GLN A 78 106.831 0.259 -13.019 1.00 1.00 C ATOM 1116 C GLN A 78 107.547 0.964 -11.894 1.00 1.00 C ATOM 1117 O GLN A 78 107.180 2.078 -11.520 1.00 1.00 O ATOM 1118 CB GLN A 78 107.105 0.941 -14.349 1.00 1.00 C ATOM 1119 CG GLN A 78 106.602 0.060 -15.486 1.00 1.00 C ATOM 1120 CD GLN A 78 107.087 0.608 -16.822 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.999 1.532 -16.823 1.00 1.00 O flip ATOM 1122 NE2 GLN A 78 106.622 0.187 -17.881 1.00 1.00 N flip ATOM 0 H GLN A 78 104.915 1.093 -13.030 1.00 1.00 H new ATOM 0 HA GLN A 78 107.181 -0.767 -13.131 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.610 1.912 -14.381 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.173 1.124 -14.462 1.00 1.00 H new ATOM 0 HG2 GLN A 78 106.959 -0.961 -15.351 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.513 0.022 -15.473 1.00 1.00 H new ATOM 0 HE21 GLN A 78 105.906 -0.539 -17.871 1.00 1.00 H new ATOM 0 HE22 GLN A 78 106.953 0.564 -18.769 1.00 1.00 H new ATOM 1131 N VAL A 79 108.526 0.302 -11.314 1.00 1.00 N ATOM 1132 CA VAL A 79 109.219 0.881 -10.192 1.00 1.00 C ATOM 1133 C VAL A 79 109.674 2.299 -10.518 1.00 1.00 C ATOM 1134 O VAL A 79 109.766 3.133 -9.627 1.00 1.00 O ATOM 1135 CB VAL A 79 110.454 0.050 -9.813 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.045 0.588 -8.528 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.099 -1.405 -9.573 1.00 1.00 C ATOM 0 H VAL A 79 108.853 -0.622 -11.597 1.00 1.00 H new ATOM 0 HA VAL A 79 108.522 0.895 -9.354 1.00 1.00 H new ATOM 0 HB VAL A 79 111.159 0.118 -10.641 1.00 1.00 H new ATOM 0 HG11 VAL A 79 111.922 0.000 -8.257 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.336 1.629 -8.669 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.304 0.523 -7.731 1.00 1.00 H new ATOM 0 HG21 VAL A 79 110.999 -1.960 -9.307 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.377 -1.474 -8.760 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.666 -1.828 -10.479 1.00 1.00 H new ATOM 1141 N SER A 80 109.985 2.567 -11.788 1.00 1.00 N ATOM 1142 CA SER A 80 110.470 3.889 -12.158 1.00 1.00 C ATOM 1143 C SER A 80 109.360 4.925 -12.149 1.00 1.00 C ATOM 1144 O SER A 80 109.615 6.116 -11.966 1.00 1.00 O ATOM 1145 CB SER A 80 111.092 3.853 -13.556 1.00 1.00 C ATOM 1146 OG SER A 80 111.064 5.161 -14.113 1.00 1.00 O ATOM 0 H SER A 80 109.911 1.902 -12.557 1.00 1.00 H new ATOM 0 HA SER A 80 111.217 4.172 -11.416 1.00 1.00 H new ATOM 0 HB2 SER A 80 112.118 3.490 -13.501 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.542 3.161 -14.194 1.00 1.00 H new ATOM 0 HG SER A 80 110.405 5.194 -14.838 1.00 1.00 H new ATOM 1152 N GLN A 81 108.133 4.481 -12.378 1.00 1.00 N ATOM 1153 CA GLN A 81 106.996 5.406 -12.422 1.00 1.00 C ATOM 1154 C GLN A 81 106.171 5.404 -11.143 1.00 1.00 C ATOM 1155 O GLN A 81 105.268 6.229 -11.003 1.00 1.00 O ATOM 1156 CB GLN A 81 106.078 5.057 -13.582 1.00 1.00 C ATOM 1157 CG GLN A 81 106.890 4.822 -14.853 1.00 1.00 C ATOM 1158 CD GLN A 81 107.870 5.968 -15.113 1.00 1.00 C ATOM 1159 OE1 GLN A 81 108.980 5.721 -15.752 1.00 1.00 O flip ATOM 1160 NE2 GLN A 81 107.622 7.112 -14.740 1.00 1.00 N flip ATOM 0 H GLN A 81 107.895 3.502 -12.535 1.00 1.00 H new ATOM 0 HA GLN A 81 107.424 6.401 -12.546 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.501 4.164 -13.341 1.00 1.00 H new ATOM 0 HB3 GLN A 81 105.363 5.864 -13.744 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.440 3.885 -14.767 1.00 1.00 H new ATOM 0 HG3 GLN A 81 106.215 4.719 -15.703 1.00 1.00 H new ATOM 0 HE21 GLN A 81 106.755 7.309 -14.240 1.00 1.00 H new ATOM 0 HE22 GLN A 81 108.283 7.865 -14.930 1.00 1.00 H new ATOM 1169 N VAL A 82 106.432 4.479 -10.221 1.00 1.00 N ATOM 1170 CA VAL A 82 105.626 4.433 -8.998 1.00 1.00 C ATOM 1171 C VAL A 82 106.114 5.490 -8.005 1.00 1.00 C ATOM 1172 O VAL A 82 107.103 6.174 -8.266 1.00 1.00 O ATOM 1173 CB VAL A 82 105.635 3.007 -8.425 1.00 1.00 C ATOM 1174 CG1 VAL A 82 106.906 2.745 -7.674 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.491 2.809 -7.483 1.00 1.00 C ATOM 0 H VAL A 82 107.167 3.775 -10.289 1.00 1.00 H new ATOM 0 HA VAL A 82 104.587 4.677 -9.220 1.00 1.00 H new ATOM 0 HB VAL A 82 105.550 2.319 -9.266 1.00 1.00 H new ATOM 0 HG11 VAL A 82 106.891 1.730 -7.277 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.756 2.859 -8.347 1.00 1.00 H new ATOM 0 HG13 VAL A 82 106.996 3.455 -6.852 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.516 1.793 -7.089 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.570 3.520 -6.660 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.552 2.970 -8.012 1.00 1.00 H new ATOM 1179 N ILE A 83 105.393 5.678 -6.899 1.00 1.00 N ATOM 1180 CA ILE A 83 105.768 6.724 -5.945 1.00 1.00 C ATOM 1181 C ILE A 83 107.249 6.548 -5.521 1.00 1.00 C ATOM 1182 O ILE A 83 107.729 5.418 -5.443 1.00 1.00 O ATOM 1183 CB ILE A 83 104.810 6.714 -4.709 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.707 5.669 -4.902 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.138 8.088 -4.546 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.658 5.815 -3.808 1.00 1.00 C ATOM 0 H ILE A 83 104.567 5.136 -6.645 1.00 1.00 H new ATOM 0 HA ILE A 83 105.667 7.697 -6.426 1.00 1.00 H new ATOM 0 HB ILE A 83 105.403 6.477 -3.826 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.244 5.793 -5.881 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.135 4.667 -4.876 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.474 8.068 -3.682 1.00 1.00 H new ATOM 0 HG22 ILE A 83 104.902 8.851 -4.399 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.562 8.320 -5.442 1.00 1.00 H new ATOM 0 HD11 ILE A 83 101.877 5.069 -3.951 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.125 5.669 -2.834 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.220 6.812 -3.854 1.00 1.00 H new ATOM 1193 N PRO A 84 107.990 7.623 -5.265 1.00 1.00 N ATOM 1194 CA PRO A 84 109.434 7.520 -4.870 1.00 1.00 C ATOM 1195 C PRO A 84 109.661 6.559 -3.715 1.00 1.00 C ATOM 1196 O PRO A 84 110.595 5.759 -3.728 1.00 1.00 O ATOM 1197 CB PRO A 84 109.795 8.943 -4.423 1.00 1.00 C ATOM 1198 CG PRO A 84 108.846 9.835 -5.139 1.00 1.00 C ATOM 1199 CD PRO A 84 107.560 9.035 -5.318 1.00 1.00 C ATOM 0 HA PRO A 84 110.038 7.140 -5.694 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.698 9.052 -3.343 1.00 1.00 H new ATOM 0 HB3 PRO A 84 110.827 9.184 -4.676 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.662 10.745 -4.568 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.252 10.140 -6.104 1.00 1.00 H new ATOM 0 HD2 PRO A 84 106.840 9.260 -4.531 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.077 9.267 -6.267 1.00 1.00 H new ATOM 1207 N GLY A 85 108.813 6.649 -2.709 1.00 1.00 N ATOM 1208 CA GLY A 85 108.967 5.778 -1.559 1.00 1.00 C ATOM 1209 C GLY A 85 108.911 4.335 -2.012 1.00 1.00 C ATOM 1210 O GLY A 85 109.746 3.506 -1.653 1.00 1.00 O ATOM 0 H GLY A 85 108.028 7.299 -2.662 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.916 5.978 -1.062 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.179 5.974 -0.832 1.00 1.00 H new ATOM 1214 N TRP A 86 107.910 4.072 -2.823 1.00 1.00 N ATOM 1215 CA TRP A 86 107.686 2.755 -3.384 1.00 1.00 C ATOM 1216 C TRP A 86 108.838 2.364 -4.317 1.00 1.00 C ATOM 1217 O TRP A 86 109.205 1.197 -4.404 1.00 1.00 O ATOM 1218 CB TRP A 86 106.375 2.793 -4.179 1.00 1.00 C ATOM 1219 CG TRP A 86 105.186 2.500 -3.319 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.724 3.234 -2.280 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.282 1.392 -3.453 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.590 2.627 -1.774 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.280 1.484 -2.472 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.247 0.322 -4.334 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.272 0.537 -2.375 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.244 -0.633 -4.239 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.253 -0.527 -3.259 1.00 1.00 C ATOM 0 H TRP A 86 107.224 4.769 -3.114 1.00 1.00 H new ATOM 0 HA TRP A 86 107.630 2.019 -2.582 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.258 3.775 -4.637 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.423 2.067 -4.991 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.169 4.145 -1.907 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.052 2.982 -0.984 1.00 1.00 H new ATOM 0 HE3 TRP A 86 105.004 0.231 -5.099 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.509 0.629 -1.616 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.229 -1.465 -4.928 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.475 -1.273 -3.192 1.00 1.00 H new ATOM 1238 N THR A 87 109.388 3.339 -5.028 1.00 1.00 N ATOM 1239 CA THR A 87 110.464 3.063 -5.966 1.00 1.00 C ATOM 1240 C THR A 87 111.578 2.263 -5.305 1.00 1.00 C ATOM 1241 O THR A 87 111.976 1.212 -5.799 1.00 1.00 O ATOM 1242 CB THR A 87 111.038 4.391 -6.466 1.00 1.00 C ATOM 1243 OG1 THR A 87 109.979 5.213 -6.935 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.041 4.157 -7.593 1.00 1.00 C ATOM 0 H THR A 87 109.109 4.319 -4.973 1.00 1.00 H new ATOM 0 HA THR A 87 110.061 2.478 -6.793 1.00 1.00 H new ATOM 0 HB THR A 87 111.554 4.883 -5.641 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.263 5.238 -6.266 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.436 5.114 -7.933 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.859 3.535 -7.229 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.545 3.654 -8.423 1.00 1.00 H new ATOM 1252 N GLU A 88 112.085 2.774 -4.200 1.00 1.00 N ATOM 1253 CA GLU A 88 113.167 2.105 -3.490 1.00 1.00 C ATOM 1254 C GLU A 88 112.704 0.843 -2.760 1.00 1.00 C ATOM 1255 O GLU A 88 113.396 -0.170 -2.765 1.00 1.00 O ATOM 1256 CB GLU A 88 113.793 3.078 -2.489 1.00 1.00 C ATOM 1257 CG GLU A 88 114.989 2.414 -1.801 1.00 1.00 C ATOM 1258 CD GLU A 88 115.703 3.426 -0.910 1.00 1.00 C ATOM 1259 OE1 GLU A 88 115.144 4.486 -0.685 1.00 1.00 O ATOM 1260 OE2 GLU A 88 116.799 3.125 -0.467 1.00 1.00 O ATOM 0 H GLU A 88 111.770 3.645 -3.773 1.00 1.00 H new ATOM 0 HA GLU A 88 113.901 1.793 -4.233 1.00 1.00 H new ATOM 0 HB2 GLU A 88 114.114 3.985 -3.001 1.00 1.00 H new ATOM 0 HB3 GLU A 88 113.053 3.376 -1.746 1.00 1.00 H new ATOM 0 HG2 GLU A 88 114.652 1.566 -1.205 1.00 1.00 H new ATOM 0 HG3 GLU A 88 115.679 2.024 -2.549 1.00 1.00 H new ATOM 1267 N ALA A 89 111.557 0.926 -2.100 1.00 1.00 N ATOM 1268 CA ALA A 89 111.040 -0.201 -1.316 1.00 1.00 C ATOM 1269 C ALA A 89 110.845 -1.485 -2.127 1.00 1.00 C ATOM 1270 O ALA A 89 111.212 -2.565 -1.665 1.00 1.00 O ATOM 1271 CB ALA A 89 109.709 0.185 -0.693 1.00 1.00 C ATOM 0 H ALA A 89 110.964 1.756 -2.088 1.00 1.00 H new ATOM 0 HA ALA A 89 111.794 -0.414 -0.558 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.324 -0.652 -0.110 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.849 1.047 -0.041 1.00 1.00 H new ATOM 0 HB3 ALA A 89 108.998 0.437 -1.480 1.00 1.00 H new ATOM 1277 N LEU A 90 110.247 -1.385 -3.308 1.00 1.00 N ATOM 1278 CA LEU A 90 110.000 -2.575 -4.115 1.00 1.00 C ATOM 1279 C LEU A 90 111.315 -3.275 -4.407 1.00 1.00 C ATOM 1280 O LEU A 90 111.408 -4.503 -4.386 1.00 1.00 O ATOM 1281 CB LEU A 90 109.373 -2.174 -5.446 1.00 1.00 C ATOM 1282 CG LEU A 90 108.030 -1.484 -5.216 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.656 -0.725 -6.484 1.00 1.00 C ATOM 1284 CD2 LEU A 90 106.949 -2.509 -4.895 1.00 1.00 C ATOM 0 H LEU A 90 109.929 -0.509 -3.723 1.00 1.00 H new ATOM 0 HA LEU A 90 109.330 -3.237 -3.566 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.045 -1.506 -5.985 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.233 -3.057 -6.070 1.00 1.00 H new ATOM 0 HG LEU A 90 108.112 -0.799 -4.372 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.698 -0.225 -6.340 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.424 0.017 -6.704 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.578 -1.424 -7.317 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.000 -1.998 -4.734 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.850 -3.206 -5.727 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.223 -3.057 -3.994 1.00 1.00 H new ATOM 1296 N GLN A 91 112.319 -2.469 -4.702 1.00 1.00 N ATOM 1297 CA GLN A 91 113.635 -2.969 -5.029 1.00 1.00 C ATOM 1298 C GLN A 91 114.256 -3.682 -3.833 1.00 1.00 C ATOM 1299 O GLN A 91 115.149 -4.515 -3.990 1.00 1.00 O ATOM 1300 CB GLN A 91 114.526 -1.798 -5.419 1.00 1.00 C ATOM 1301 CG GLN A 91 113.904 -1.053 -6.599 1.00 1.00 C ATOM 1302 CD GLN A 91 114.659 0.254 -6.827 1.00 1.00 C ATOM 1303 OE1 GLN A 91 114.051 1.263 -7.386 1.00 1.00 O flip ATOM 1304 NE2 GLN A 91 115.826 0.370 -6.450 1.00 1.00 N flip ATOM 0 H GLN A 91 112.242 -1.452 -4.721 1.00 1.00 H new ATOM 0 HA GLN A 91 113.545 -3.676 -5.853 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.647 -1.122 -4.572 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.520 -2.157 -5.685 1.00 1.00 H new ATOM 0 HG2 GLN A 91 113.945 -1.671 -7.496 1.00 1.00 H new ATOM 0 HG3 GLN A 91 112.852 -0.848 -6.401 1.00 1.00 H new ATOM 0 HE21 GLN A 91 116.302 -0.419 -6.013 1.00 1.00 H new ATOM 0 HE22 GLN A 91 116.317 1.255 -6.575 1.00 1.00 H new ATOM 1313 N LEU A 92 113.794 -3.329 -2.631 1.00 1.00 N ATOM 1314 CA LEU A 92 114.330 -3.927 -1.402 1.00 1.00 C ATOM 1315 C LEU A 92 113.380 -4.954 -0.828 1.00 1.00 C ATOM 1316 O LEU A 92 113.744 -5.682 0.088 1.00 1.00 O ATOM 1317 CB LEU A 92 114.564 -2.839 -0.354 1.00 1.00 C ATOM 1318 CG LEU A 92 115.509 -1.765 -0.897 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.642 -0.663 0.134 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.883 -2.361 -1.194 1.00 1.00 C ATOM 0 H LEU A 92 113.058 -2.639 -2.481 1.00 1.00 H new ATOM 0 HA LEU A 92 115.269 -4.419 -1.657 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.613 -2.386 -0.073 1.00 1.00 H new ATOM 0 HB3 LEU A 92 114.986 -3.280 0.549 1.00 1.00 H new ATOM 0 HG LEU A 92 115.101 -1.363 -1.824 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.314 0.108 -0.243 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.662 -0.227 0.329 1.00 1.00 H new ATOM 0 HD13 LEU A 92 116.046 -1.076 1.058 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.542 -1.583 -1.579 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.306 -2.774 -0.278 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.783 -3.152 -1.937 1.00 1.00 H new ATOM 1332 N MET A 93 112.164 -5.005 -1.353 1.00 1.00 N ATOM 1333 CA MET A 93 111.167 -5.957 -0.858 1.00 1.00 C ATOM 1334 C MET A 93 111.202 -7.281 -1.664 1.00 1.00 C ATOM 1335 O MET A 93 110.764 -7.301 -2.814 1.00 1.00 O ATOM 1336 CB MET A 93 109.776 -5.332 -0.973 1.00 1.00 C ATOM 1337 CG MET A 93 108.720 -6.378 -0.605 1.00 1.00 C ATOM 1338 SD MET A 93 107.137 -5.567 -0.268 1.00 1.00 S ATOM 1339 CE MET A 93 106.668 -5.187 -1.976 1.00 1.00 C ATOM 0 H MET A 93 111.842 -4.407 -2.114 1.00 1.00 H new ATOM 0 HA MET A 93 111.397 -6.185 0.183 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.696 -4.469 -0.311 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.609 -4.972 -1.988 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.605 -7.093 -1.419 1.00 1.00 H new ATOM 0 HG3 MET A 93 109.043 -6.941 0.271 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.554 -4.109 -2.091 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.443 -5.544 -2.654 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.724 -5.679 -2.212 1.00 1.00 H new ATOM 1349 N PRO A 94 111.685 -8.386 -1.099 1.00 1.00 N ATOM 1350 CA PRO A 94 111.730 -9.706 -1.810 1.00 1.00 C ATOM 1351 C PRO A 94 110.342 -10.259 -2.117 1.00 1.00 C ATOM 1352 O PRO A 94 109.387 -10.034 -1.374 1.00 1.00 O ATOM 1353 CB PRO A 94 112.497 -10.630 -0.846 1.00 1.00 C ATOM 1354 CG PRO A 94 113.158 -9.725 0.134 1.00 1.00 C ATOM 1355 CD PRO A 94 112.243 -8.528 0.253 1.00 1.00 C ATOM 0 HA PRO A 94 112.209 -9.616 -2.785 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.821 -11.323 -0.346 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.231 -11.232 -1.381 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.289 -10.217 1.098 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.149 -9.430 -0.210 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.461 -8.693 0.994 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.788 -7.635 0.558 1.00 1.00 H new ATOM 1363 N ALA A 95 110.246 -10.984 -3.223 1.00 1.00 N ATOM 1364 CA ALA A 95 108.977 -11.564 -3.627 1.00 1.00 C ATOM 1365 C ALA A 95 108.490 -12.577 -2.620 1.00 1.00 C ATOM 1366 O ALA A 95 109.258 -13.382 -2.093 1.00 1.00 O ATOM 1367 CB ALA A 95 109.073 -12.191 -5.011 1.00 1.00 C ATOM 0 H ALA A 95 111.025 -11.182 -3.850 1.00 1.00 H new ATOM 0 HA ALA A 95 108.249 -10.754 -3.670 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.108 -12.617 -5.285 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.353 -11.428 -5.737 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.827 -12.978 -5.002 1.00 1.00 H new ATOM 1373 N GLY A 96 107.196 -12.497 -2.340 1.00 1.00 N ATOM 1374 CA GLY A 96 106.569 -13.369 -1.375 1.00 1.00 C ATOM 1375 C GLY A 96 106.567 -12.686 -0.023 1.00 1.00 C ATOM 1376 O GLY A 96 105.790 -13.039 0.865 1.00 1.00 O ATOM 0 H GLY A 96 106.561 -11.828 -2.776 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.549 -13.599 -1.682 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.106 -14.316 -1.318 1.00 1.00 H new ATOM 1380 N SER A 97 107.441 -11.685 0.125 1.00 1.00 N ATOM 1381 CA SER A 97 107.523 -10.943 1.370 1.00 1.00 C ATOM 1382 C SER A 97 106.542 -9.780 1.362 1.00 1.00 C ATOM 1383 O SER A 97 106.436 -9.051 0.377 1.00 1.00 O ATOM 1384 CB SER A 97 108.949 -10.420 1.559 1.00 1.00 C ATOM 1385 OG SER A 97 109.066 -9.153 0.933 1.00 1.00 O ATOM 0 H SER A 97 108.092 -11.378 -0.598 1.00 1.00 H new ATOM 0 HA SER A 97 107.266 -11.607 2.195 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.182 -10.338 2.621 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.666 -11.119 1.129 1.00 1.00 H new ATOM 0 HG SER A 97 108.824 -9.232 -0.013 1.00 1.00 H new ATOM 1391 N THR A 98 105.833 -9.608 2.476 1.00 1.00 N ATOM 1392 CA THR A 98 104.860 -8.523 2.601 1.00 1.00 C ATOM 1393 C THR A 98 105.384 -7.459 3.540 1.00 1.00 C ATOM 1394 O THR A 98 105.596 -7.721 4.722 1.00 1.00 O ATOM 1395 CB THR A 98 103.536 -9.056 3.137 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.057 -10.089 2.287 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.527 -7.920 3.177 1.00 1.00 C ATOM 0 H THR A 98 105.913 -10.202 3.301 1.00 1.00 H new ATOM 0 HA THR A 98 104.701 -8.091 1.613 1.00 1.00 H new ATOM 0 HB THR A 98 103.680 -9.458 4.140 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.902 -9.728 1.389 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.576 -8.291 3.559 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.896 -7.128 3.829 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.384 -7.525 2.171 1.00 1.00 H new ATOM 1405 N TRP A 99 105.630 -6.261 2.998 1.00 1.00 N ATOM 1406 CA TRP A 99 106.162 -5.146 3.790 1.00 1.00 C ATOM 1407 C TRP A 99 105.159 -4.001 3.883 1.00 1.00 C ATOM 1408 O TRP A 99 104.238 -3.886 3.075 1.00 1.00 O ATOM 1409 CB TRP A 99 107.423 -4.554 3.138 1.00 1.00 C ATOM 1410 CG TRP A 99 108.605 -5.475 3.198 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.597 -6.786 3.530 1.00 1.00 C ATOM 1412 CD2 TRP A 99 109.989 -5.137 2.918 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.882 -7.278 3.463 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.782 -6.297 3.088 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.623 -3.941 2.530 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.160 -6.271 2.881 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 112.011 -3.912 2.323 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.779 -5.075 2.498 1.00 1.00 C ATOM 0 H TRP A 99 105.470 -6.039 2.016 1.00 1.00 H new ATOM 0 HA TRP A 99 106.381 -5.557 4.776 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.208 -4.316 2.096 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.675 -3.617 3.634 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.722 -7.357 3.804 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.138 -8.245 3.665 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.039 -3.043 2.391 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.747 -7.168 3.015 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.491 -2.991 2.028 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.847 -5.047 2.337 1.00 1.00 H new ATOM 1429 N GLU A 100 105.422 -3.114 4.834 1.00 1.00 N ATOM 1430 CA GLU A 100 104.638 -1.899 5.022 1.00 1.00 C ATOM 1431 C GLU A 100 105.613 -0.739 4.960 1.00 1.00 C ATOM 1432 O GLU A 100 106.613 -0.756 5.671 1.00 1.00 O ATOM 1433 CB GLU A 100 103.905 -1.891 6.382 1.00 1.00 C ATOM 1434 CG GLU A 100 102.502 -2.477 6.222 1.00 1.00 C ATOM 1435 CD GLU A 100 101.768 -2.475 7.559 1.00 1.00 C ATOM 1436 OE1 GLU A 100 102.342 -2.000 8.525 1.00 1.00 O ATOM 1437 OE2 GLU A 100 100.643 -2.947 7.598 1.00 1.00 O ATOM 0 H GLU A 100 106.188 -3.217 5.500 1.00 1.00 H new ATOM 0 HA GLU A 100 103.871 -1.830 4.250 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.469 -2.471 7.112 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.841 -0.872 6.764 1.00 1.00 H new ATOM 0 HG2 GLU A 100 101.940 -1.896 5.491 1.00 1.00 H new ATOM 0 HG3 GLU A 100 102.568 -3.495 5.838 1.00 1.00 H new ATOM 1444 N ILE A 101 105.338 0.261 4.117 1.00 1.00 N ATOM 1445 CA ILE A 101 106.233 1.402 3.996 1.00 1.00 C ATOM 1446 C ILE A 101 105.483 2.688 4.266 1.00 1.00 C ATOM 1447 O ILE A 101 104.336 2.866 3.860 1.00 1.00 O ATOM 1448 CB ILE A 101 106.956 1.404 2.634 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.138 2.075 1.523 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.242 -0.050 2.248 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.001 2.146 0.272 1.00 1.00 C ATOM 0 H ILE A 101 104.513 0.299 3.518 1.00 1.00 H new ATOM 0 HA ILE A 101 107.014 1.320 4.752 1.00 1.00 H new ATOM 0 HB ILE A 101 107.874 1.982 2.739 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.229 1.508 1.325 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.830 3.075 1.829 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.754 -0.077 1.286 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.873 -0.511 3.008 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.303 -0.598 2.175 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.438 2.620 -0.532 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.897 2.730 0.481 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.287 1.139 -0.031 1.00 1.00 H new ATOM 1458 N TYR A 102 106.152 3.565 4.996 1.00 1.00 N ATOM 1459 CA TYR A 102 105.592 4.837 5.396 1.00 1.00 C ATOM 1460 C TYR A 102 106.334 5.888 4.592 1.00 1.00 C ATOM 1461 O TYR A 102 107.514 6.152 4.826 1.00 1.00 O ATOM 1462 CB TYR A 102 105.818 5.040 6.908 1.00 1.00 C ATOM 1463 CG TYR A 102 105.295 3.846 7.720 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.689 2.527 7.419 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.414 4.059 8.791 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.213 1.454 8.167 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.937 2.976 9.545 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.337 1.674 9.231 1.00 1.00 C ATOM 1469 OH TYR A 102 103.868 0.607 9.970 1.00 1.00 O ATOM 0 H TYR A 102 107.104 3.410 5.328 1.00 1.00 H new ATOM 0 HA TYR A 102 104.519 4.895 5.214 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.882 5.176 7.103 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.315 5.951 7.233 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.368 2.347 6.599 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.101 5.063 9.037 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.522 0.448 7.923 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.260 3.149 10.369 1.00 1.00 H new ATOM 0 HH TYR A 102 103.269 0.934 10.673 1.00 1.00 H new ATOM 1479 N VAL A 103 105.656 6.400 3.572 1.00 1.00 N ATOM 1480 CA VAL A 103 106.270 7.330 2.636 1.00 1.00 C ATOM 1481 C VAL A 103 106.140 8.804 2.997 1.00 1.00 C ATOM 1482 O VAL A 103 105.042 9.352 2.951 1.00 1.00 O ATOM 1483 CB VAL A 103 105.662 7.160 1.253 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.535 7.892 0.235 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.576 5.680 0.899 1.00 1.00 C ATOM 0 H VAL A 103 104.679 6.186 3.373 1.00 1.00 H new ATOM 0 HA VAL A 103 107.330 7.077 2.670 1.00 1.00 H new ATOM 0 HB VAL A 103 104.655 7.578 1.241 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.107 7.776 -0.761 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.581 8.951 0.489 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.541 7.472 0.249 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.139 5.568 -0.093 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.576 5.245 0.907 1.00 1.00 H new ATOM 0 HG23 VAL A 103 104.952 5.167 1.630 1.00 1.00 H new ATOM 1489 N PRO A 104 107.240 9.473 3.265 1.00 1.00 N ATOM 1490 CA PRO A 104 107.216 10.931 3.541 1.00 1.00 C ATOM 1491 C PRO A 104 106.444 11.658 2.443 1.00 1.00 C ATOM 1492 O PRO A 104 106.506 11.274 1.275 1.00 1.00 O ATOM 1493 CB PRO A 104 108.703 11.328 3.516 1.00 1.00 C ATOM 1494 CG PRO A 104 109.468 10.073 3.817 1.00 1.00 C ATOM 1495 CD PRO A 104 108.603 8.913 3.356 1.00 1.00 C ATOM 0 HA PRO A 104 106.729 11.185 4.483 1.00 1.00 H new ATOM 0 HB2 PRO A 104 108.983 11.733 2.543 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.914 12.101 4.255 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.427 10.071 3.299 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.682 9.996 4.883 1.00 1.00 H new ATOM 0 HD2 PRO A 104 108.938 8.528 2.393 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.644 8.084 4.062 1.00 1.00 H new ATOM 1503 N SER A 105 105.703 12.688 2.822 1.00 1.00 N ATOM 1504 CA SER A 105 104.912 13.424 1.852 1.00 1.00 C ATOM 1505 C SER A 105 105.758 13.821 0.645 1.00 1.00 C ATOM 1506 O SER A 105 105.267 13.849 -0.484 1.00 1.00 O ATOM 1507 CB SER A 105 104.309 14.671 2.499 1.00 1.00 C ATOM 1508 OG SER A 105 105.334 15.629 2.720 1.00 1.00 O ATOM 0 H SER A 105 105.634 13.029 3.781 1.00 1.00 H new ATOM 0 HA SER A 105 104.107 12.774 1.509 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.536 15.091 1.855 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.830 14.410 3.443 1.00 1.00 H new ATOM 0 HG SER A 105 104.932 16.483 2.982 1.00 1.00 H new ATOM 1514 N GLY A 106 107.029 14.122 0.884 1.00 1.00 N ATOM 1515 CA GLY A 106 107.923 14.503 -0.203 1.00 1.00 C ATOM 1516 C GLY A 106 108.183 13.324 -1.127 1.00 1.00 C ATOM 1517 O GLY A 106 108.385 13.497 -2.329 1.00 1.00 O ATOM 0 H GLY A 106 107.460 14.110 1.808 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.485 15.325 -0.769 1.00 1.00 H new ATOM 0 HA3 GLY A 106 108.866 14.865 0.206 1.00 1.00 H new ATOM 1521 N LEU A 107 108.181 12.122 -0.556 1.00 1.00 N ATOM 1522 CA LEU A 107 108.429 10.908 -1.333 1.00 1.00 C ATOM 1523 C LEU A 107 107.121 10.217 -1.692 1.00 1.00 C ATOM 1524 O LEU A 107 107.139 9.139 -2.277 1.00 1.00 O ATOM 1525 CB LEU A 107 109.299 9.922 -0.530 1.00 1.00 C ATOM 1526 CG LEU A 107 110.656 10.552 -0.159 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.545 9.492 0.501 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.358 11.095 -1.413 1.00 1.00 C ATOM 0 H LEU A 107 108.011 11.962 0.437 1.00 1.00 H new ATOM 0 HA LEU A 107 108.948 11.203 -2.245 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.773 9.624 0.377 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.463 9.017 -1.115 1.00 1.00 H new ATOM 0 HG LEU A 107 110.483 11.377 0.533 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.505 9.935 0.764 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.058 9.119 1.402 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.704 8.667 -0.193 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.314 11.536 -1.132 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.527 10.280 -2.117 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.731 11.854 -1.881 1.00 1.00 H new ATOM 1540 N ALA A 108 105.984 10.814 -1.310 1.00 1.00 N ATOM 1541 CA ALA A 108 104.681 10.215 -1.580 1.00 1.00 C ATOM 1542 C ALA A 108 103.930 10.984 -2.664 1.00 1.00 C ATOM 1543 O ALA A 108 104.272 10.897 -3.841 1.00 1.00 O ATOM 1544 CB ALA A 108 103.831 10.187 -0.306 1.00 1.00 C ATOM 0 H ALA A 108 105.945 11.706 -0.816 1.00 1.00 H new ATOM 0 HA ALA A 108 104.856 9.197 -1.928 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.862 9.737 -0.525 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.340 9.599 0.458 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.685 11.205 0.056 1.00 1.00 H new ATOM 1550 N TYR A 109 102.881 11.720 -2.276 1.00 1.00 N ATOM 1551 CA TYR A 109 102.072 12.452 -3.247 1.00 1.00 C ATOM 1552 C TYR A 109 102.428 13.928 -3.335 1.00 1.00 C ATOM 1553 O TYR A 109 101.803 14.669 -4.094 1.00 1.00 O ATOM 1554 CB TYR A 109 100.576 12.238 -2.948 1.00 1.00 C ATOM 1555 CG TYR A 109 100.218 10.912 -3.552 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.290 9.747 -2.799 1.00 1.00 C ATOM 1557 CD2 TYR A 109 99.933 10.852 -4.911 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.091 8.522 -3.399 1.00 1.00 C ATOM 1559 CE2 TYR A 109 99.705 9.631 -5.518 1.00 1.00 C ATOM 1560 CZ TYR A 109 99.795 8.455 -4.767 1.00 1.00 C ATOM 1561 OH TYR A 109 99.640 7.237 -5.379 1.00 1.00 O ATOM 0 H TYR A 109 102.578 11.821 -1.307 1.00 1.00 H new ATOM 0 HA TYR A 109 102.297 12.045 -4.233 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.389 12.241 -1.874 1.00 1.00 H new ATOM 0 HB3 TYR A 109 99.974 13.038 -3.379 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.502 9.801 -1.741 1.00 1.00 H new ATOM 0 HD2 TYR A 109 99.890 11.760 -5.494 1.00 1.00 H new ATOM 0 HE1 TYR A 109 100.163 7.616 -2.816 1.00 1.00 H new ATOM 0 HE2 TYR A 109 99.458 9.586 -6.568 1.00 1.00 H new ATOM 0 HH TYR A 109 99.437 7.371 -6.328 1.00 1.00 H new ATOM 1571 N GLY A 110 103.465 14.348 -2.614 1.00 1.00 N ATOM 1572 CA GLY A 110 103.916 15.741 -2.690 1.00 1.00 C ATOM 1573 C GLY A 110 103.556 16.562 -1.454 1.00 1.00 C ATOM 1574 O GLY A 110 102.713 16.169 -0.648 1.00 1.00 O ATOM 0 H GLY A 110 104.003 13.758 -1.980 1.00 1.00 H new ATOM 0 HA2 GLY A 110 104.997 15.758 -2.827 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.476 16.210 -3.570 1.00 1.00 H new ATOM 1578 N PRO A 111 104.188 17.705 -1.311 1.00 1.00 N ATOM 1579 CA PRO A 111 103.955 18.639 -0.170 1.00 1.00 C ATOM 1580 C PRO A 111 102.620 19.365 -0.324 1.00 1.00 C ATOM 1581 O PRO A 111 102.091 19.953 0.619 1.00 1.00 O ATOM 1582 CB PRO A 111 105.128 19.614 -0.278 1.00 1.00 C ATOM 1583 CG PRO A 111 105.446 19.656 -1.732 1.00 1.00 C ATOM 1584 CD PRO A 111 105.197 18.243 -2.243 1.00 1.00 C ATOM 0 HA PRO A 111 103.904 18.136 0.796 1.00 1.00 H new ATOM 0 HB2 PRO A 111 104.859 20.601 0.098 1.00 1.00 H new ATOM 0 HB3 PRO A 111 105.983 19.272 0.305 1.00 1.00 H new ATOM 0 HG2 PRO A 111 104.816 20.378 -2.251 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.480 19.957 -1.899 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.831 18.248 -3.270 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.110 17.647 -2.232 1.00 1.00 H new ATOM 1592 N ARG A 112 102.107 19.319 -1.547 1.00 1.00 N ATOM 1593 CA ARG A 112 100.848 19.966 -1.901 1.00 1.00 C ATOM 1594 C ARG A 112 99.709 18.951 -1.826 1.00 1.00 C ATOM 1595 O ARG A 112 99.953 17.748 -1.792 1.00 1.00 O ATOM 1596 CB ARG A 112 100.973 20.484 -3.340 1.00 1.00 C ATOM 1597 CG ARG A 112 99.833 21.450 -3.681 1.00 1.00 C ATOM 1598 CD ARG A 112 99.937 21.847 -5.154 1.00 1.00 C ATOM 1599 NE ARG A 112 98.835 22.731 -5.521 1.00 1.00 N ATOM 1600 CZ ARG A 112 98.434 22.841 -6.783 1.00 1.00 C ATOM 1601 NH1 ARG A 112 99.022 22.143 -7.716 1.00 1.00 N ATOM 1602 NH2 ARG A 112 97.456 23.647 -7.091 1.00 1.00 N ATOM 0 H ARG A 112 102.553 18.831 -2.324 1.00 1.00 H new ATOM 0 HA ARG A 112 100.637 20.785 -1.214 1.00 1.00 H new ATOM 0 HB2 ARG A 112 101.931 20.989 -3.466 1.00 1.00 H new ATOM 0 HB3 ARG A 112 100.961 19.644 -4.034 1.00 1.00 H new ATOM 0 HG2 ARG A 112 98.870 20.979 -3.486 1.00 1.00 H new ATOM 0 HG3 ARG A 112 99.889 22.336 -3.048 1.00 1.00 H new ATOM 0 HD2 ARG A 112 100.889 22.346 -5.336 1.00 1.00 H new ATOM 0 HD3 ARG A 112 99.920 20.955 -5.780 1.00 1.00 H new ATOM 0 HE ARG A 112 98.365 23.273 -4.796 1.00 1.00 H new ATOM 0 HH11 ARG A 112 99.788 21.514 -7.476 1.00 1.00 H new ATOM 0 HH12 ARG A 112 98.715 22.226 -8.685 1.00 1.00 H new ATOM 0 HH21 ARG A 112 96.998 24.194 -6.363 1.00 1.00 H new ATOM 0 HH22 ARG A 112 97.150 23.730 -8.060 1.00 1.00 H new ATOM 1616 N SER A 113 98.470 19.427 -1.819 1.00 1.00 N ATOM 1617 CA SER A 113 97.334 18.527 -1.788 1.00 1.00 C ATOM 1618 C SER A 113 97.117 17.933 -3.171 1.00 1.00 C ATOM 1619 O SER A 113 96.425 18.517 -4.004 1.00 1.00 O ATOM 1620 CB SER A 113 96.079 19.273 -1.357 1.00 1.00 C ATOM 1621 OG SER A 113 96.360 20.050 -0.201 1.00 1.00 O ATOM 0 H SER A 113 98.232 20.419 -1.834 1.00 1.00 H new ATOM 0 HA SER A 113 97.537 17.731 -1.072 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.731 19.917 -2.165 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.277 18.565 -1.146 1.00 1.00 H new ATOM 0 HG SER A 113 95.911 20.918 -0.273 1.00 1.00 H new ATOM 1627 N VAL A 114 97.728 16.775 -3.414 1.00 1.00 N ATOM 1628 CA VAL A 114 97.617 16.109 -4.711 1.00 1.00 C ATOM 1629 C VAL A 114 96.731 14.870 -4.621 1.00 1.00 C ATOM 1630 O VAL A 114 97.183 13.759 -4.899 1.00 1.00 O ATOM 1631 CB VAL A 114 99.017 15.700 -5.202 1.00 1.00 C ATOM 1632 CG1 VAL A 114 98.990 15.515 -6.719 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.040 16.781 -4.825 1.00 1.00 C ATOM 0 H VAL A 114 98.303 16.280 -2.733 1.00 1.00 H new ATOM 0 HA VAL A 114 97.163 16.807 -5.414 1.00 1.00 H new ATOM 0 HB VAL A 114 99.306 14.761 -4.729 1.00 1.00 H new ATOM 0 HG11 VAL A 114 99.981 15.225 -7.068 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.272 14.737 -6.978 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.697 16.451 -7.195 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.029 16.485 -5.176 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.759 17.726 -5.289 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.060 16.901 -3.742 1.00 1.00 H new ATOM 1637 N GLY A 115 95.471 15.056 -4.245 1.00 1.00 N ATOM 1638 CA GLY A 115 94.561 13.922 -4.144 1.00 1.00 C ATOM 1639 C GLY A 115 93.229 14.307 -3.495 1.00 1.00 C ATOM 1640 O GLY A 115 93.031 15.447 -3.077 1.00 1.00 O ATOM 0 H GLY A 115 95.063 15.961 -4.010 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.375 13.517 -5.139 1.00 1.00 H new ATOM 0 HA3 GLY A 115 95.032 13.131 -3.561 1.00 1.00 H new ATOM 1644 N GLY A 116 92.331 13.326 -3.407 1.00 1.00 N ATOM 1645 CA GLY A 116 91.017 13.530 -2.798 1.00 1.00 C ATOM 1646 C GLY A 116 91.150 14.033 -1.355 1.00 1.00 C ATOM 1647 O GLY A 116 91.431 15.212 -1.141 1.00 1.00 O ATOM 0 H GLY A 116 92.491 12.379 -3.751 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.448 14.250 -3.386 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.458 12.595 -2.810 1.00 1.00 H new ATOM 1651 N PRO A 117 90.938 13.192 -0.361 1.00 1.00 N ATOM 1652 CA PRO A 117 91.023 13.604 1.074 1.00 1.00 C ATOM 1653 C PRO A 117 92.427 14.073 1.418 1.00 1.00 C ATOM 1654 O PRO A 117 92.646 14.727 2.438 1.00 1.00 O ATOM 1655 CB PRO A 117 90.664 12.336 1.842 1.00 1.00 C ATOM 1656 CG PRO A 117 91.042 11.260 0.904 1.00 1.00 C ATOM 1657 CD PRO A 117 90.626 11.759 -0.459 1.00 1.00 C ATOM 0 HA PRO A 117 90.363 14.438 1.314 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.213 12.264 2.781 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.603 12.301 2.090 1.00 1.00 H new ATOM 0 HG2 PRO A 117 92.113 11.064 0.941 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.538 10.326 1.152 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.183 11.273 -1.260 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.568 11.583 -0.654 1.00 1.00 H new ATOM 1665 N ILE A 118 93.374 13.737 0.550 1.00 1.00 N ATOM 1666 CA ILE A 118 94.744 14.134 0.775 1.00 1.00 C ATOM 1667 C ILE A 118 94.825 15.652 0.664 1.00 1.00 C ATOM 1668 O ILE A 118 94.569 16.223 -0.396 1.00 1.00 O ATOM 1669 CB ILE A 118 95.675 13.520 -0.279 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.552 11.977 -0.299 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.101 13.907 0.081 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.509 11.503 -1.327 1.00 1.00 C ATOM 0 H ILE A 118 93.215 13.199 -0.302 1.00 1.00 H new ATOM 0 HA ILE A 118 95.055 13.788 1.761 1.00 1.00 H new ATOM 0 HB ILE A 118 95.402 13.891 -1.267 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.521 11.538 -0.535 1.00 1.00 H new ATOM 0 HG13 ILE A 118 95.273 11.621 0.693 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.789 13.484 -0.652 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.194 14.993 0.082 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.344 13.521 1.071 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.451 10.415 -1.312 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.534 11.922 -1.076 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.802 11.837 -2.323 1.00 1.00 H new ATOM 1679 N GLY A 119 95.169 16.299 1.768 1.00 1.00 N ATOM 1680 CA GLY A 119 95.275 17.757 1.806 1.00 1.00 C ATOM 1681 C GLY A 119 96.715 18.186 1.604 1.00 1.00 C ATOM 1682 O GLY A 119 97.509 17.435 1.078 1.00 1.00 O ATOM 0 H GLY A 119 95.381 15.839 2.654 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.646 18.194 1.031 1.00 1.00 H new ATOM 0 HA3 GLY A 119 94.908 18.130 2.762 1.00 1.00 H new ATOM 1686 N PRO A 120 97.072 19.366 2.008 1.00 1.00 N ATOM 1687 CA PRO A 120 98.477 19.851 1.873 1.00 1.00 C ATOM 1688 C PRO A 120 99.461 19.146 2.829 1.00 1.00 C ATOM 1689 O PRO A 120 99.114 18.803 3.958 1.00 1.00 O ATOM 1690 CB PRO A 120 98.379 21.341 2.208 1.00 1.00 C ATOM 1691 CG PRO A 120 97.160 21.460 3.068 1.00 1.00 C ATOM 1692 CD PRO A 120 96.190 20.379 2.614 1.00 1.00 C ATOM 0 HA PRO A 120 98.871 19.646 0.878 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.269 21.688 2.733 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.286 21.944 1.305 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.416 21.332 4.120 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.711 22.448 2.967 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.623 19.970 3.450 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.466 20.764 1.896 1.00 1.00 H new ATOM 1700 N ASN A 121 100.703 18.988 2.365 1.00 1.00 N ATOM 1701 CA ASN A 121 101.774 18.385 3.169 1.00 1.00 C ATOM 1702 C ASN A 121 101.311 17.176 3.977 1.00 1.00 C ATOM 1703 O ASN A 121 101.386 17.182 5.206 1.00 1.00 O ATOM 1704 CB ASN A 121 102.367 19.432 4.119 1.00 1.00 C ATOM 1705 CG ASN A 121 103.751 18.989 4.590 1.00 1.00 C ATOM 1706 OD1 ASN A 121 103.935 17.756 4.974 1.00 1.00 O flip ATOM 1707 ND2 ASN A 121 104.689 19.787 4.603 1.00 1.00 N flip ATOM 0 H ASN A 121 100.995 19.271 1.430 1.00 1.00 H new ATOM 0 HA ASN A 121 102.529 18.033 2.466 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.437 20.395 3.613 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.709 19.570 4.977 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.543 20.751 4.302 1.00 1.00 H new ATOM 0 HD22 ASN A 121 105.612 19.484 4.914 1.00 1.00 H new ATOM 1714 N GLU A 122 100.835 16.144 3.288 1.00 1.00 N ATOM 1715 CA GLU A 122 100.353 14.926 3.956 1.00 1.00 C ATOM 1716 C GLU A 122 101.228 13.735 3.623 1.00 1.00 C ATOM 1717 O GLU A 122 101.622 13.523 2.477 1.00 1.00 O ATOM 1718 CB GLU A 122 98.881 14.639 3.575 1.00 1.00 C ATOM 1719 CG GLU A 122 98.426 15.671 2.567 1.00 1.00 C ATOM 1720 CD GLU A 122 99.245 15.499 1.286 1.00 1.00 C ATOM 1721 OE1 GLU A 122 99.576 16.498 0.669 1.00 1.00 O ATOM 1722 OE2 GLU A 122 99.532 14.364 0.942 1.00 1.00 O ATOM 0 H GLU A 122 100.770 16.120 2.270 1.00 1.00 H new ATOM 0 HA GLU A 122 100.407 15.094 5.032 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.788 13.637 3.156 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.248 14.674 4.462 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.364 15.550 2.355 1.00 1.00 H new ATOM 0 HG3 GLU A 122 98.559 16.676 2.968 1.00 1.00 H new ATOM 1729 N THR A 123 101.498 12.953 4.653 1.00 1.00 N ATOM 1730 CA THR A 123 102.298 11.754 4.522 1.00 1.00 C ATOM 1731 C THR A 123 101.368 10.570 4.319 1.00 1.00 C ATOM 1732 O THR A 123 100.410 10.386 5.068 1.00 1.00 O ATOM 1733 CB THR A 123 103.132 11.568 5.789 1.00 1.00 C ATOM 1734 OG1 THR A 123 104.023 12.666 5.925 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.935 10.271 5.715 1.00 1.00 C ATOM 0 H THR A 123 101.168 13.133 5.601 1.00 1.00 H new ATOM 0 HA THR A 123 102.971 11.833 3.668 1.00 1.00 H new ATOM 0 HB THR A 123 102.464 11.518 6.649 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.321 12.732 6.856 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.523 10.155 6.625 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.254 9.426 5.613 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.602 10.305 4.854 1.00 1.00 H new ATOM 1743 N LEU A 124 101.656 9.771 3.300 1.00 1.00 N ATOM 1744 CA LEU A 124 100.839 8.597 2.994 1.00 1.00 C ATOM 1745 C LEU A 124 101.640 7.326 3.261 1.00 1.00 C ATOM 1746 O LEU A 124 102.833 7.255 2.966 1.00 1.00 O ATOM 1747 CB LEU A 124 100.409 8.596 1.512 1.00 1.00 C ATOM 1748 CG LEU A 124 99.512 9.804 1.129 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.529 10.157 2.232 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.360 11.033 0.826 1.00 1.00 C ATOM 0 H LEU A 124 102.447 9.911 2.671 1.00 1.00 H new ATOM 0 HA LEU A 124 99.953 8.631 3.628 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.299 8.600 0.883 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.872 7.672 1.298 1.00 1.00 H new ATOM 0 HG LEU A 124 98.954 9.505 0.242 1.00 1.00 H new ATOM 0 HD11 LEU A 124 97.922 11.007 1.920 1.00 1.00 H new ATOM 0 HD12 LEU A 124 97.882 9.303 2.430 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.077 10.415 3.139 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.710 11.867 0.560 1.00 1.00 H new ATOM 0 HD22 LEU A 124 100.947 11.296 1.706 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.031 10.816 -0.005 1.00 1.00 H new ATOM 1762 N ILE A 125 100.960 6.319 3.801 1.00 1.00 N ATOM 1763 CA ILE A 125 101.567 5.027 4.095 1.00 1.00 C ATOM 1764 C ILE A 125 100.838 3.969 3.306 1.00 1.00 C ATOM 1765 O ILE A 125 99.627 4.056 3.126 1.00 1.00 O ATOM 1766 CB ILE A 125 101.440 4.700 5.595 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.619 3.175 5.820 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.055 5.128 6.088 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.725 2.829 7.297 1.00 1.00 C ATOM 0 H ILE A 125 99.972 6.377 4.047 1.00 1.00 H new ATOM 0 HA ILE A 125 102.623 5.057 3.828 1.00 1.00 H new ATOM 0 HB ILE A 125 102.211 5.236 6.148 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.775 2.642 5.382 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.515 2.834 5.302 1.00 1.00 H new ATOM 0 HG21 ILE A 125 99.960 4.899 7.149 1.00 1.00 H new ATOM 0 HG22 ILE A 125 99.930 6.200 5.936 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.288 4.590 5.530 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.849 1.752 7.410 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.584 3.341 7.730 1.00 1.00 H new ATOM 0 HD13 ILE A 125 100.817 3.146 7.811 1.00 1.00 H new ATOM 1776 N PHE A 126 101.565 2.947 2.873 1.00 1.00 N ATOM 1777 CA PHE A 126 100.940 1.857 2.145 1.00 1.00 C ATOM 1778 C PHE A 126 101.474 0.504 2.588 1.00 1.00 C ATOM 1779 O PHE A 126 102.633 0.377 2.983 1.00 1.00 O ATOM 1780 CB PHE A 126 101.170 2.001 0.644 1.00 1.00 C ATOM 1781 CG PHE A 126 101.126 3.451 0.247 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.052 3.953 -0.498 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.180 4.291 0.609 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.037 5.301 -0.878 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.160 5.632 0.231 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.094 6.135 -0.514 1.00 1.00 C ATOM 0 H PHE A 126 102.571 2.852 3.011 1.00 1.00 H new ATOM 0 HA PHE A 126 99.873 1.908 2.364 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.135 1.572 0.374 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.409 1.444 0.097 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.237 3.302 -0.779 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.010 3.902 1.181 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.210 5.693 -1.451 1.00 1.00 H new ATOM 0 HE2 PHE A 126 102.973 6.284 0.516 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.087 7.174 -0.810 1.00 1.00 H new ATOM 1796 N LYS A 127 100.624 -0.519 2.472 1.00 1.00 N ATOM 1797 CA LYS A 127 101.008 -1.874 2.804 1.00 1.00 C ATOM 1798 C LYS A 127 101.290 -2.551 1.492 1.00 1.00 C ATOM 1799 O LYS A 127 100.454 -2.523 0.606 1.00 1.00 O ATOM 1800 CB LYS A 127 99.885 -2.617 3.575 1.00 1.00 C ATOM 1801 CG LYS A 127 98.794 -1.651 4.040 1.00 1.00 C ATOM 1802 CD LYS A 127 99.340 -0.685 5.105 1.00 1.00 C ATOM 1803 CE LYS A 127 98.290 0.385 5.410 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.748 1.219 6.558 1.00 1.00 N ATOM 0 H LYS A 127 99.662 -0.423 2.148 1.00 1.00 H new ATOM 0 HA LYS A 127 101.878 -1.882 3.461 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.447 -3.382 2.934 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.311 -3.129 4.438 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.416 -1.085 3.189 1.00 1.00 H new ATOM 0 HG3 LYS A 127 97.954 -2.213 4.448 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.591 -1.233 6.013 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.259 -0.218 4.750 1.00 1.00 H new ATOM 0 HE2 LYS A 127 98.129 1.012 4.533 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.335 -0.084 5.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.312 2.161 6.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 98.469 0.764 7.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.783 1.314 6.527 1.00 1.00 H new ATOM 1818 N ILE A 128 102.493 -3.086 1.325 1.00 1.00 N ATOM 1819 CA ILE A 128 102.847 -3.685 0.036 1.00 1.00 C ATOM 1820 C ILE A 128 103.144 -5.174 0.127 1.00 1.00 C ATOM 1821 O ILE A 128 104.080 -5.612 0.796 1.00 1.00 O ATOM 1822 CB ILE A 128 104.050 -2.932 -0.561 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.908 -1.436 -0.197 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.030 -3.108 -2.085 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.018 -0.582 -0.823 1.00 1.00 C ATOM 0 H ILE A 128 103.222 -3.120 2.038 1.00 1.00 H new ATOM 0 HA ILE A 128 101.979 -3.589 -0.616 1.00 1.00 H new ATOM 0 HB ILE A 128 104.991 -3.318 -0.168 1.00 1.00 H new ATOM 0 HG12 ILE A 128 102.937 -1.072 -0.534 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.932 -1.323 0.887 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.877 -2.580 -2.523 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.097 -4.168 -2.330 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.102 -2.701 -2.486 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.878 0.461 -0.540 1.00 1.00 H new ATOM 0 HD12 ILE A 128 105.988 -0.927 -0.466 1.00 1.00 H new ATOM 0 HD13 ILE A 128 104.978 -0.672 -1.909 1.00 1.00 H new ATOM 1832 N HIS A 129 102.331 -5.933 -0.606 1.00 1.00 N ATOM 1833 CA HIS A 129 102.462 -7.382 -0.699 1.00 1.00 C ATOM 1834 C HIS A 129 102.944 -7.730 -2.097 1.00 1.00 C ATOM 1835 O HIS A 129 102.327 -7.322 -3.082 1.00 1.00 O ATOM 1836 CB HIS A 129 101.109 -8.036 -0.445 1.00 1.00 C ATOM 1837 CG HIS A 129 101.205 -9.512 -0.707 1.00 1.00 C ATOM 1838 ND1 HIS A 129 102.219 -10.429 -0.524 1.00 1.00 N flip ATOM 1839 CD2 HIS A 129 100.164 -10.206 -1.290 1.00 1.00 C flip ATOM 1840 CE1 HIS A 129 101.802 -11.672 -1.005 1.00 1.00 C flip ATOM 1841 NE2 HIS A 129 100.559 -11.477 -1.448 1.00 1.00 N flip ATOM 0 H HIS A 129 101.559 -5.555 -1.155 1.00 1.00 H new ATOM 0 HA HIS A 129 103.173 -7.744 0.044 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.796 -7.859 0.584 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.352 -7.591 -1.090 1.00 1.00 H new ATOM 0 HD2 HIS A 129 99.204 -9.798 -1.569 1.00 1.00 H new ATOM 0 HE1 HIS A 129 102.365 -12.594 -1.016 1.00 1.00 H new ATOM 0 HE2 HIS A 129 99.978 -12.208 -1.858 1.00 1.00 H new ATOM 1849 N LEU A 130 104.063 -8.450 -2.201 1.00 1.00 N ATOM 1850 CA LEU A 130 104.602 -8.786 -3.521 1.00 1.00 C ATOM 1851 C LEU A 130 104.164 -10.176 -3.993 1.00 1.00 C ATOM 1852 O LEU A 130 104.589 -11.193 -3.445 1.00 1.00 O ATOM 1853 CB LEU A 130 106.140 -8.697 -3.490 1.00 1.00 C ATOM 1854 CG LEU A 130 106.661 -7.875 -4.676 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.187 -7.759 -4.607 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.276 -8.553 -5.996 1.00 1.00 C ATOM 0 H LEU A 130 104.602 -8.804 -1.410 1.00 1.00 H new ATOM 0 HA LEU A 130 104.202 -8.065 -4.234 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.464 -8.240 -2.555 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.568 -9.699 -3.520 1.00 1.00 H new ATOM 0 HG LEU A 130 106.215 -6.882 -4.629 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.546 -7.174 -5.454 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.473 -7.266 -3.678 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.629 -8.755 -4.641 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.650 -7.962 -6.832 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.713 -9.551 -6.033 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.191 -8.629 -6.063 1.00 1.00 H new ATOM 1868 N ILE A 131 103.315 -10.201 -5.024 1.00 1.00 N ATOM 1869 CA ILE A 131 102.823 -11.455 -5.584 1.00 1.00 C ATOM 1870 C ILE A 131 103.676 -11.920 -6.773 1.00 1.00 C ATOM 1871 O ILE A 131 104.021 -13.098 -6.862 1.00 1.00 O ATOM 1872 CB ILE A 131 101.364 -11.274 -6.020 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.473 -11.040 -4.789 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.887 -12.537 -6.729 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.471 -9.577 -4.375 1.00 1.00 C ATOM 0 H ILE A 131 102.956 -9.365 -5.485 1.00 1.00 H new ATOM 0 HA ILE A 131 102.890 -12.224 -4.815 1.00 1.00 H new ATOM 0 HB ILE A 131 101.300 -10.416 -6.690 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.454 -11.359 -5.010 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.826 -11.654 -3.960 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.850 -12.410 -7.040 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.509 -12.719 -7.606 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.961 -13.386 -6.049 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.831 -9.447 -3.502 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.487 -9.267 -4.130 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.093 -8.967 -5.196 1.00 1.00 H new ATOM 1882 N SER A 132 104.014 -11.007 -7.688 1.00 1.00 N ATOM 1883 CA SER A 132 104.826 -11.380 -8.856 1.00 1.00 C ATOM 1884 C SER A 132 105.668 -10.196 -9.332 1.00 1.00 C ATOM 1885 O SER A 132 105.349 -9.041 -9.051 1.00 1.00 O ATOM 1886 CB SER A 132 103.920 -11.873 -9.988 1.00 1.00 C ATOM 1887 OG SER A 132 103.480 -10.769 -10.765 1.00 1.00 O ATOM 0 H SER A 132 103.746 -10.024 -7.648 1.00 1.00 H new ATOM 0 HA SER A 132 105.501 -12.184 -8.564 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.460 -12.580 -10.617 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.062 -12.404 -9.575 1.00 1.00 H new ATOM 0 HG SER A 132 102.902 -11.088 -11.489 1.00 1.00 H new ATOM 1893 N VAL A 133 106.779 -10.494 -10.020 1.00 1.00 N ATOM 1894 CA VAL A 133 107.698 -9.452 -10.492 1.00 1.00 C ATOM 1895 C VAL A 133 108.024 -9.614 -11.969 1.00 1.00 C ATOM 1896 O VAL A 133 108.285 -10.719 -12.444 1.00 1.00 O ATOM 1897 CB VAL A 133 108.998 -9.512 -9.692 1.00 1.00 C ATOM 1898 CG1 VAL A 133 109.914 -8.370 -10.133 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.666 -9.358 -8.221 1.00 1.00 C ATOM 0 H VAL A 133 107.061 -11.444 -10.261 1.00 1.00 H new ATOM 0 HA VAL A 133 107.205 -8.490 -10.351 1.00 1.00 H new ATOM 0 HB VAL A 133 109.503 -10.463 -9.862 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.843 -8.409 -9.565 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.134 -8.470 -11.196 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.418 -7.416 -9.953 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.584 -9.399 -7.635 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.173 -8.400 -8.058 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.002 -10.165 -7.911 1.00 1.00 H new ATOM 1903 N LYS A 134 108.031 -8.493 -12.685 1.00 1.00 N ATOM 1904 CA LYS A 134 108.349 -8.487 -14.097 1.00 1.00 C ATOM 1905 C LYS A 134 109.854 -8.328 -14.295 1.00 1.00 C ATOM 1906 O LYS A 134 110.654 -8.724 -13.449 1.00 1.00 O ATOM 1907 CB LYS A 134 107.641 -7.312 -14.754 1.00 1.00 C ATOM 1908 CG LYS A 134 107.352 -7.609 -16.238 1.00 1.00 C ATOM 1909 CD LYS A 134 106.008 -8.324 -16.357 1.00 1.00 C ATOM 1910 CE LYS A 134 105.748 -8.704 -17.815 1.00 1.00 C ATOM 1911 NZ LYS A 134 104.287 -8.924 -18.007 1.00 1.00 N ATOM 0 H LYS A 134 107.817 -7.573 -12.300 1.00 1.00 H new ATOM 0 HA LYS A 134 108.025 -9.427 -14.543 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.707 -7.105 -14.231 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.258 -6.417 -14.671 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.335 -6.681 -16.810 1.00 1.00 H new ATOM 0 HG3 LYS A 134 108.145 -8.228 -16.658 1.00 1.00 H new ATOM 0 HD2 LYS A 134 106.005 -9.218 -15.733 1.00 1.00 H new ATOM 0 HD3 LYS A 134 105.209 -7.678 -15.992 1.00 1.00 H new ATOM 0 HE2 LYS A 134 106.100 -7.914 -18.478 1.00 1.00 H new ATOM 0 HE3 LYS A 134 106.302 -9.607 -18.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 104.102 -9.183 -18.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 103.967 -9.692 -17.383 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 103.771 -8.051 -17.775 1.00 1.00 H new