USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.0923 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -178:sc= -5.31! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -28:sc= -2.31! USER MOD Single : A 35 ASN : amide:sc= -1.97! C(o=-2!,f=-3.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.64 F(o=-3.6!,f=-0.64) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= -3.73! (180deg=-5.56!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -2.52! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.089) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.15) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -12.5! C(o=-14!,f=-12!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -4.58! C(o=-4.6!,f=-5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -3.93! C(o=-7.4!,f=-3.9!) USER MOD Single : A 96 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.66) USER MOD Single : A 101 TYR OH : rot 15:sc= -2.99! USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0187) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.752 K(o=0.75,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.517 -13.275 0.987 1.00 0.00 N ATOM 38 CA ARG A 3 12.276 -12.513 -0.001 1.00 0.00 C ATOM 39 C ARG A 3 12.196 -11.013 0.283 1.00 0.00 C ATOM 40 O ARG A 3 13.073 -10.247 -0.117 1.00 0.00 O ATOM 41 CB ARG A 3 11.764 -12.820 -1.411 1.00 0.00 C ATOM 42 CG ARG A 3 12.461 -12.029 -2.507 1.00 0.00 C ATOM 43 CD ARG A 3 13.664 -12.780 -3.059 1.00 0.00 C ATOM 44 NE ARG A 3 14.911 -12.035 -2.875 1.00 0.00 N ATOM 45 CZ ARG A 3 15.597 -11.468 -3.869 1.00 0.00 C ATOM 46 NH1 ARG A 3 15.165 -11.547 -5.123 1.00 0.00 N ATOM 47 NH2 ARG A 3 16.721 -10.815 -3.607 1.00 0.00 N ATOM 0 HA ARG A 3 13.322 -12.812 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.890 -13.884 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.695 -12.613 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.757 -11.825 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.782 -11.065 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.744 -13.748 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.513 -12.976 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 3 15.278 -11.944 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.300 -12.045 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.698 -11.109 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.059 -10.747 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.247 -10.381 -4.365 1.00 0.00 H new ATOM 61 N GLY A 4 11.147 -10.604 0.986 1.00 0.00 N ATOM 62 CA GLY A 4 10.977 -9.199 1.322 1.00 0.00 C ATOM 63 C GLY A 4 10.705 -8.327 0.111 1.00 0.00 C ATOM 64 O GLY A 4 11.569 -7.568 -0.327 1.00 0.00 O ATOM 0 H GLY A 4 10.410 -11.219 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.153 -9.097 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.875 -8.841 1.826 1.00 0.00 H new ATOM 68 N ILE A 5 9.498 -8.438 -0.430 1.00 0.00 N ATOM 69 CA ILE A 5 9.105 -7.654 -1.596 1.00 0.00 C ATOM 70 C ILE A 5 8.032 -6.629 -1.243 1.00 0.00 C ATOM 71 O ILE A 5 6.900 -6.989 -0.918 1.00 0.00 O ATOM 72 CB ILE A 5 8.567 -8.555 -2.718 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.518 -9.727 -2.957 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.363 -7.751 -3.993 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.073 -11.003 -2.278 1.00 0.00 C ATOM 0 H ILE A 5 8.773 -9.064 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 5 10.001 -7.138 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 5 7.600 -8.956 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.604 -9.904 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.512 -9.459 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.982 -8.404 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.647 -6.950 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.314 -7.322 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.791 -11.796 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.014 -10.841 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.092 -11.293 -2.655 1.00 0.00 H new ATOM 87 N VAL A 6 8.389 -5.352 -1.314 1.00 0.00 N ATOM 88 CA VAL A 6 7.445 -4.287 -1.006 1.00 0.00 C ATOM 89 C VAL A 6 7.007 -3.557 -2.275 1.00 0.00 C ATOM 90 O VAL A 6 7.836 -3.152 -3.085 1.00 0.00 O ATOM 91 CB VAL A 6 8.042 -3.263 -0.018 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.362 -2.715 -0.535 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.053 -2.140 0.242 1.00 0.00 C ATOM 0 H VAL A 6 9.320 -5.031 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 6 6.580 -4.761 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 6 8.240 -3.772 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.762 -1.996 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.071 -3.533 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.201 -2.223 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.489 -1.426 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.821 -1.635 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.138 -2.552 0.668 1.00 0.00 H new ATOM 103 N TRP A 7 5.698 -3.392 -2.440 1.00 0.00 N ATOM 104 CA TRP A 7 5.161 -2.705 -3.608 1.00 0.00 C ATOM 105 C TRP A 7 4.472 -1.403 -3.193 1.00 0.00 C ATOM 106 O TRP A 7 3.813 -1.344 -2.156 1.00 0.00 O ATOM 107 CB TRP A 7 4.201 -3.626 -4.368 1.00 0.00 C ATOM 108 CG TRP A 7 4.914 -4.667 -5.188 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.247 -4.966 -5.154 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.334 -5.546 -6.160 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.534 -5.959 -6.053 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.376 -6.340 -6.677 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.038 -5.739 -6.643 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.161 -7.311 -7.651 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.826 -6.705 -7.609 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.884 -7.480 -8.102 1.00 0.00 C ATOM 0 H TRP A 7 4.993 -3.723 -1.782 1.00 0.00 H new ATOM 0 HA TRP A 7 5.983 -2.448 -4.277 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.541 -4.121 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.570 -3.024 -5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.971 -4.488 -4.510 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.459 -6.351 -6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.217 -5.145 -6.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.974 -7.908 -8.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.828 -6.865 -7.990 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.685 -8.228 -8.855 1.00 0.00 H new ATOM 127 N VAL A 8 4.653 -0.355 -3.993 1.00 0.00 N ATOM 128 CA VAL A 8 4.071 0.952 -3.689 1.00 0.00 C ATOM 129 C VAL A 8 3.187 1.454 -4.827 1.00 0.00 C ATOM 130 O VAL A 8 3.563 1.384 -5.992 1.00 0.00 O ATOM 131 CB VAL A 8 5.167 2.011 -3.415 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.674 3.050 -2.423 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.451 1.364 -2.911 1.00 0.00 C ATOM 0 H VAL A 8 5.197 -0.384 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 8 3.464 0.815 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 8 5.389 2.508 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.460 3.784 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.794 3.551 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.414 2.562 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.200 2.135 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.249 0.828 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.825 0.666 -3.660 1.00 0.00 H new ATOM 143 N VAL A 9 2.015 1.969 -4.486 1.00 0.00 N ATOM 144 CA VAL A 9 1.097 2.487 -5.496 1.00 0.00 C ATOM 145 C VAL A 9 0.814 3.968 -5.260 1.00 0.00 C ATOM 146 O VAL A 9 0.141 4.337 -4.298 1.00 0.00 O ATOM 147 CB VAL A 9 -0.236 1.697 -5.531 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.492 1.157 -6.934 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.228 0.557 -4.517 1.00 0.00 C ATOM 0 H VAL A 9 1.677 2.040 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 9 1.586 2.363 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.042 2.380 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.431 0.604 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.551 1.987 -7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.323 0.493 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.176 0.021 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.588 -0.128 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.091 0.963 -3.515 1.00 0.00 H new ATOM 159 N ASP A 10 1.348 4.813 -6.144 1.00 0.00 N ATOM 160 CA ASP A 10 1.171 6.259 -6.031 1.00 0.00 C ATOM 161 C ASP A 10 1.488 6.952 -7.358 1.00 0.00 C ATOM 162 O ASP A 10 1.433 6.337 -8.419 1.00 0.00 O ATOM 163 CB ASP A 10 2.058 6.809 -4.908 1.00 0.00 C ATOM 164 CG ASP A 10 1.401 7.949 -4.155 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.014 8.944 -4.803 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.274 7.849 -2.917 1.00 0.00 O ATOM 0 H ASP A 10 1.906 4.519 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 10 0.128 6.464 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.295 6.006 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.002 7.153 -5.331 1.00 0.00 H new ATOM 171 N ASP A 11 1.808 8.241 -7.291 1.00 0.00 N ATOM 172 CA ASP A 11 2.115 9.023 -8.487 1.00 0.00 C ATOM 173 C ASP A 11 3.399 8.553 -9.173 1.00 0.00 C ATOM 174 O ASP A 11 3.767 9.075 -10.222 1.00 0.00 O ATOM 175 CB ASP A 11 2.257 10.503 -8.127 1.00 0.00 C ATOM 176 CG ASP A 11 0.945 11.255 -8.223 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.119 10.603 -8.177 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.981 12.499 -8.346 1.00 0.00 O ATOM 0 H ASP A 11 1.862 8.768 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 11 1.287 8.879 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.648 10.591 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.986 10.966 -8.791 1.00 0.00 H new ATOM 183 N ASP A 12 4.072 7.561 -8.593 1.00 0.00 N ATOM 184 CA ASP A 12 5.301 7.033 -9.182 1.00 0.00 C ATOM 185 C ASP A 12 6.422 8.078 -9.146 1.00 0.00 C ATOM 186 O ASP A 12 6.423 8.961 -8.291 1.00 0.00 O ATOM 187 CB ASP A 12 5.035 6.578 -10.623 1.00 0.00 C ATOM 188 CG ASP A 12 5.790 5.312 -10.979 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.957 5.419 -11.409 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.212 4.214 -10.831 1.00 0.00 O ATOM 0 H ASP A 12 3.790 7.110 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 12 5.626 6.175 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.966 6.410 -10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.321 7.374 -11.311 1.00 0.00 H new ATOM 195 N SER A 13 7.368 7.969 -10.088 1.00 0.00 N ATOM 196 CA SER A 13 8.496 8.892 -10.197 1.00 0.00 C ATOM 197 C SER A 13 8.984 9.405 -8.839 1.00 0.00 C ATOM 198 O SER A 13 9.865 8.805 -8.223 1.00 0.00 O ATOM 199 CB SER A 13 8.110 10.040 -11.125 1.00 0.00 C ATOM 200 OG SER A 13 9.251 10.606 -11.748 1.00 0.00 O ATOM 0 H SER A 13 7.369 7.235 -10.796 1.00 0.00 H new ATOM 0 HA SER A 13 9.340 8.347 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.419 9.678 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.585 10.808 -10.557 1.00 0.00 H new ATOM 0 HG SER A 13 8.973 11.338 -12.338 1.00 0.00 H new ATOM 206 N SER A 14 8.419 10.515 -8.381 1.00 0.00 N ATOM 207 CA SER A 14 8.806 11.104 -7.103 1.00 0.00 C ATOM 208 C SER A 14 8.677 10.091 -5.969 1.00 0.00 C ATOM 209 O SER A 14 9.638 9.826 -5.248 1.00 0.00 O ATOM 210 CB SER A 14 7.950 12.336 -6.805 1.00 0.00 C ATOM 211 OG SER A 14 8.471 13.488 -7.443 1.00 0.00 O ATOM 0 H SER A 14 7.689 11.027 -8.876 1.00 0.00 H new ATOM 0 HA SER A 14 9.851 11.405 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.928 12.162 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.908 12.501 -5.728 1.00 0.00 H new ATOM 0 HG SER A 14 7.904 14.260 -7.237 1.00 0.00 H new ATOM 217 N ILE A 15 7.483 9.527 -5.817 1.00 0.00 N ATOM 218 CA ILE A 15 7.235 8.544 -4.772 1.00 0.00 C ATOM 219 C ILE A 15 8.037 7.269 -5.007 1.00 0.00 C ATOM 220 O ILE A 15 8.341 6.533 -4.069 1.00 0.00 O ATOM 221 CB ILE A 15 5.738 8.185 -4.666 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.883 9.453 -4.619 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.488 7.326 -3.434 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.158 10.324 -3.411 1.00 0.00 C ATOM 0 H ILE A 15 6.675 9.734 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 15 7.554 9.003 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 15 5.455 7.615 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.060 10.034 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.830 9.172 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.428 7.080 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.070 6.407 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.787 7.875 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.516 11.205 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.953 9.760 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.202 10.636 -3.417 1.00 0.00 H new ATOM 236 N ARG A 16 8.373 7.014 -6.266 1.00 0.00 N ATOM 237 CA ARG A 16 9.139 5.826 -6.629 1.00 0.00 C ATOM 238 C ARG A 16 10.579 5.917 -6.133 1.00 0.00 C ATOM 239 O ARG A 16 11.055 5.031 -5.427 1.00 0.00 O ATOM 240 CB ARG A 16 9.124 5.623 -8.146 1.00 0.00 C ATOM 241 CG ARG A 16 9.932 4.417 -8.608 1.00 0.00 C ATOM 242 CD ARG A 16 10.439 4.596 -10.028 1.00 0.00 C ATOM 243 NE ARG A 16 11.734 5.268 -10.060 1.00 0.00 N ATOM 244 CZ ARG A 16 12.510 5.336 -11.137 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.131 4.770 -12.275 1.00 0.00 N ATOM 246 NH2 ARG A 16 13.672 5.971 -11.075 1.00 0.00 N ATOM 0 H ARG A 16 8.127 7.614 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 16 8.666 4.970 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.092 5.508 -8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.516 6.519 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.776 4.265 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.314 3.521 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.523 3.622 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.715 5.174 -10.602 1.00 0.00 H new ATOM 0 HE ARG A 16 12.064 5.713 -9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.239 4.278 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.732 4.826 -13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.969 6.406 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.269 6.024 -11.900 1.00 0.00 H new ATOM 260 N TRP A 17 11.273 6.982 -6.518 1.00 0.00 N ATOM 261 CA TRP A 17 12.664 7.162 -6.119 1.00 0.00 C ATOM 262 C TRP A 17 12.819 7.183 -4.601 1.00 0.00 C ATOM 263 O TRP A 17 13.790 6.651 -4.062 1.00 0.00 O ATOM 264 CB TRP A 17 13.238 8.452 -6.703 1.00 0.00 C ATOM 265 CG TRP A 17 14.694 8.629 -6.397 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.744 8.000 -7.005 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.263 9.483 -5.399 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.930 8.413 -6.446 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.661 9.326 -5.460 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.726 10.369 -4.463 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.527 10.021 -4.618 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.586 11.059 -3.629 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.972 10.883 -3.711 1.00 0.00 C ATOM 0 H TRP A 17 10.898 7.730 -7.102 1.00 0.00 H new ATOM 0 HA TRP A 17 13.217 6.309 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.096 8.451 -7.784 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.682 9.303 -6.309 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.655 7.283 -7.808 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.859 8.092 -6.720 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.658 10.513 -4.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.597 9.885 -4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.181 11.746 -2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.616 11.438 -3.046 1.00 0.00 H new ATOM 284 N VAL A 18 11.879 7.826 -3.920 1.00 0.00 N ATOM 285 CA VAL A 18 11.937 7.942 -2.466 1.00 0.00 C ATOM 286 C VAL A 18 11.792 6.599 -1.765 1.00 0.00 C ATOM 287 O VAL A 18 12.562 6.273 -0.862 1.00 0.00 O ATOM 288 CB VAL A 18 10.858 8.898 -1.922 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.121 9.215 -0.458 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.794 10.178 -2.738 1.00 0.00 C ATOM 0 H VAL A 18 11.069 8.274 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 18 12.926 8.346 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 18 9.893 8.398 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.350 9.891 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.104 8.293 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.098 9.688 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.023 10.832 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.758 10.684 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.554 9.938 -3.774 1.00 0.00 H new ATOM 300 N LEU A 19 10.782 5.845 -2.156 1.00 0.00 N ATOM 301 CA LEU A 19 10.511 4.557 -1.536 1.00 0.00 C ATOM 302 C LEU A 19 11.363 3.431 -2.114 1.00 0.00 C ATOM 303 O LEU A 19 11.594 2.422 -1.446 1.00 0.00 O ATOM 304 CB LEU A 19 9.028 4.206 -1.665 1.00 0.00 C ATOM 305 CG LEU A 19 8.292 4.031 -0.336 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.804 2.799 0.397 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.455 5.274 0.526 1.00 0.00 C ATOM 0 H LEU A 19 10.134 6.101 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 19 10.777 4.654 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.532 4.989 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.936 3.284 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 19 7.231 3.891 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.270 2.689 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.639 1.915 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.870 2.910 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.926 5.135 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.513 5.442 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.043 6.137 0.002 1.00 0.00 H new ATOM 319 N GLU A 20 11.812 3.587 -3.349 1.00 0.00 N ATOM 320 CA GLU A 20 12.616 2.548 -3.984 1.00 0.00 C ATOM 321 C GLU A 20 13.979 2.393 -3.320 1.00 0.00 C ATOM 322 O GLU A 20 14.314 1.320 -2.827 1.00 0.00 O ATOM 323 CB GLU A 20 12.774 2.800 -5.489 1.00 0.00 C ATOM 324 CG GLU A 20 13.745 3.903 -5.870 1.00 0.00 C ATOM 325 CD GLU A 20 13.784 4.146 -7.367 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.925 3.586 -8.083 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.676 4.890 -7.825 1.00 0.00 O ATOM 0 H GLU A 20 11.638 4.409 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 20 12.076 1.611 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.100 1.874 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.795 3.042 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.461 4.825 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.744 3.641 -5.521 1.00 0.00 H new ATOM 334 N ARG A 21 14.760 3.459 -3.322 1.00 0.00 N ATOM 335 CA ARG A 21 16.095 3.432 -2.732 1.00 0.00 C ATOM 336 C ARG A 21 16.044 3.276 -1.215 1.00 0.00 C ATOM 337 O ARG A 21 16.736 2.429 -0.650 1.00 0.00 O ATOM 338 CB ARG A 21 16.864 4.703 -3.094 1.00 0.00 C ATOM 339 CG ARG A 21 17.202 4.808 -4.572 1.00 0.00 C ATOM 340 CD ARG A 21 18.640 4.404 -4.849 1.00 0.00 C ATOM 341 NE ARG A 21 18.871 4.167 -6.274 1.00 0.00 N ATOM 342 CZ ARG A 21 19.722 4.867 -7.024 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.442 5.851 -6.495 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.853 4.583 -8.312 1.00 0.00 N ATOM 0 H ARG A 21 14.496 4.358 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 21 16.612 2.564 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.273 5.571 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.787 4.737 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.528 4.172 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.040 5.831 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.312 5.187 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.879 3.501 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 21 18.346 3.417 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.347 6.077 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.090 6.380 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.303 3.831 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.503 5.117 -8.888 1.00 0.00 H new ATOM 358 N ALA A 22 15.233 4.101 -0.557 1.00 0.00 N ATOM 359 CA ALA A 22 15.114 4.053 0.896 1.00 0.00 C ATOM 360 C ALA A 22 14.796 2.655 1.385 1.00 0.00 C ATOM 361 O ALA A 22 15.532 2.084 2.189 1.00 0.00 O ATOM 362 CB ALA A 22 14.062 5.038 1.381 1.00 0.00 C ATOM 0 H ALA A 22 14.651 4.808 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 22 16.080 4.338 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.989 4.987 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.345 6.048 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.097 4.787 0.940 1.00 0.00 H new ATOM 368 N LEU A 23 13.703 2.108 0.894 1.00 0.00 N ATOM 369 CA LEU A 23 13.294 0.769 1.282 1.00 0.00 C ATOM 370 C LEU A 23 14.312 -0.259 0.796 1.00 0.00 C ATOM 371 O LEU A 23 14.429 -1.351 1.358 1.00 0.00 O ATOM 372 CB LEU A 23 11.892 0.451 0.751 1.00 0.00 C ATOM 373 CG LEU A 23 11.124 -0.646 1.512 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.519 -0.685 2.984 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.622 -0.436 1.381 1.00 0.00 C ATOM 0 H LEU A 23 13.082 2.566 0.227 1.00 0.00 H new ATOM 0 HA LEU A 23 13.255 0.722 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.299 1.365 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.978 0.151 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 23 11.390 -1.604 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.958 -1.470 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.586 -0.889 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.295 0.276 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.096 -1.221 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.353 0.536 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.340 -0.473 0.329 1.00 0.00 H new ATOM 387 N ALA A 24 15.073 0.105 -0.234 1.00 0.00 N ATOM 388 CA ALA A 24 16.100 -0.776 -0.758 1.00 0.00 C ATOM 389 C ALA A 24 17.222 -0.889 0.256 1.00 0.00 C ATOM 390 O ALA A 24 17.796 -1.961 0.446 1.00 0.00 O ATOM 391 CB ALA A 24 16.643 -0.271 -2.085 1.00 0.00 C ATOM 0 H ALA A 24 14.994 1.000 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 24 15.659 -1.757 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.410 -0.955 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.833 -0.215 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.076 0.720 -1.948 1.00 0.00 H new ATOM 397 N GLY A 25 17.513 0.226 0.923 1.00 0.00 N ATOM 398 CA GLY A 25 18.548 0.227 1.933 1.00 0.00 C ATOM 399 C GLY A 25 18.205 -0.705 3.077 1.00 0.00 C ATOM 400 O GLY A 25 19.089 -1.197 3.777 1.00 0.00 O ATOM 0 H GLY A 25 17.050 1.124 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.495 -0.076 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.685 1.239 2.315 1.00 0.00 H new ATOM 404 N ALA A 26 16.908 -0.950 3.259 1.00 0.00 N ATOM 405 CA ALA A 26 16.435 -1.830 4.312 1.00 0.00 C ATOM 406 C ALA A 26 16.632 -3.297 3.930 1.00 0.00 C ATOM 407 O ALA A 26 16.579 -4.180 4.784 1.00 0.00 O ATOM 408 CB ALA A 26 14.970 -1.548 4.610 1.00 0.00 C ATOM 0 H ALA A 26 16.168 -0.547 2.685 1.00 0.00 H new ATOM 0 HA ALA A 26 17.021 -1.636 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.625 -2.214 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.857 -0.513 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.377 -1.715 3.711 1.00 0.00 H new ATOM 414 N GLY A 27 16.879 -3.548 2.643 1.00 0.00 N ATOM 415 CA GLY A 27 17.103 -4.907 2.185 1.00 0.00 C ATOM 416 C GLY A 27 15.893 -5.545 1.521 1.00 0.00 C ATOM 417 O GLY A 27 15.760 -6.769 1.531 1.00 0.00 O ATOM 0 H GLY A 27 16.927 -2.836 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.934 -4.909 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.404 -5.520 3.034 1.00 0.00 H new ATOM 421 N LEU A 28 15.006 -4.738 0.941 1.00 0.00 N ATOM 422 CA LEU A 28 13.826 -5.282 0.286 1.00 0.00 C ATOM 423 C LEU A 28 13.661 -4.738 -1.131 1.00 0.00 C ATOM 424 O LEU A 28 14.374 -3.827 -1.551 1.00 0.00 O ATOM 425 CB LEU A 28 12.563 -4.992 1.103 1.00 0.00 C ATOM 426 CG LEU A 28 12.790 -4.677 2.583 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.989 -3.195 2.784 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.629 -5.192 3.420 1.00 0.00 C ATOM 0 H LEU A 28 15.082 -3.721 0.913 1.00 0.00 H new ATOM 0 HA LEU A 28 13.969 -6.361 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.042 -4.150 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.900 -5.854 1.031 1.00 0.00 H new ATOM 0 HG LEU A 28 13.696 -5.186 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.149 -2.990 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.858 -2.864 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.104 -2.659 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.806 -4.960 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.705 -4.714 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.542 -6.272 3.297 1.00 0.00 H new ATOM 440 N THR A 29 12.707 -5.308 -1.861 1.00 0.00 N ATOM 441 CA THR A 29 12.432 -4.889 -3.231 1.00 0.00 C ATOM 442 C THR A 29 11.225 -3.956 -3.268 1.00 0.00 C ATOM 443 O THR A 29 10.086 -4.394 -3.112 1.00 0.00 O ATOM 444 CB THR A 29 12.196 -6.114 -4.121 1.00 0.00 C ATOM 445 OG1 THR A 29 13.396 -6.845 -4.288 1.00 0.00 O ATOM 446 CG2 THR A 29 11.673 -5.773 -5.503 1.00 0.00 C ATOM 0 H THR A 29 12.110 -6.064 -1.525 1.00 0.00 H new ATOM 0 HA THR A 29 13.296 -4.346 -3.613 1.00 0.00 H new ATOM 0 HB THR A 29 11.437 -6.700 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.228 -7.625 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.531 -6.690 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.721 -5.250 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.391 -5.133 -6.016 1.00 0.00 H new ATOM 454 N CYS A 30 11.489 -2.667 -3.463 1.00 0.00 N ATOM 455 CA CYS A 30 10.429 -1.666 -3.504 1.00 0.00 C ATOM 456 C CYS A 30 10.109 -1.236 -4.932 1.00 0.00 C ATOM 457 O CYS A 30 10.935 -0.623 -5.610 1.00 0.00 O ATOM 458 CB CYS A 30 10.830 -0.450 -2.670 1.00 0.00 C ATOM 459 SG CYS A 30 9.443 0.605 -2.184 1.00 0.00 S ATOM 0 H CYS A 30 12.428 -2.292 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 30 9.529 -2.118 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.344 -0.793 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.544 0.146 -3.238 1.00 0.00 H new ATOM 0 HG CYS A 30 9.889 1.628 -1.518 1.00 0.00 H new ATOM 465 N THR A 31 8.894 -1.551 -5.371 1.00 0.00 N ATOM 466 CA THR A 31 8.435 -1.191 -6.709 1.00 0.00 C ATOM 467 C THR A 31 7.276 -0.197 -6.587 1.00 0.00 C ATOM 468 O THR A 31 6.620 -0.143 -5.551 1.00 0.00 O ATOM 469 CB THR A 31 7.988 -2.444 -7.484 1.00 0.00 C ATOM 470 OG1 THR A 31 8.019 -2.202 -8.880 1.00 0.00 O ATOM 471 CG2 THR A 31 6.582 -2.883 -7.155 1.00 0.00 C ATOM 0 H THR A 31 8.205 -2.058 -4.815 1.00 0.00 H new ATOM 0 HA THR A 31 9.255 -0.731 -7.261 1.00 0.00 H new ATOM 0 HB THR A 31 8.686 -3.226 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.734 -3.008 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.333 -3.771 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.512 -3.114 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.884 -2.082 -7.399 1.00 0.00 H new ATOM 479 N THR A 32 7.031 0.595 -7.628 1.00 0.00 N ATOM 480 CA THR A 32 5.950 1.576 -7.583 1.00 0.00 C ATOM 481 C THR A 32 5.064 1.505 -8.826 1.00 0.00 C ATOM 482 O THR A 32 5.433 0.899 -9.832 1.00 0.00 O ATOM 483 CB THR A 32 6.522 2.974 -7.412 1.00 0.00 C ATOM 484 OG1 THR A 32 7.175 3.400 -8.595 1.00 0.00 O ATOM 485 CG2 THR A 32 7.511 3.052 -6.273 1.00 0.00 C ATOM 0 H THR A 32 7.558 0.578 -8.501 1.00 0.00 H new ATOM 0 HA THR A 32 5.321 1.340 -6.725 1.00 0.00 H new ATOM 0 HB THR A 32 5.675 3.624 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.514 2.619 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.892 4.070 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.017 2.773 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.339 2.369 -6.463 1.00 0.00 H new ATOM 493 N PHE A 33 3.875 2.103 -8.731 1.00 0.00 N ATOM 494 CA PHE A 33 2.912 2.087 -9.828 1.00 0.00 C ATOM 495 C PHE A 33 2.258 3.459 -10.065 1.00 0.00 C ATOM 496 O PHE A 33 2.524 4.419 -9.344 1.00 0.00 O ATOM 497 CB PHE A 33 1.865 1.003 -9.602 1.00 0.00 C ATOM 498 CG PHE A 33 2.464 -0.360 -9.420 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.063 -0.714 -8.225 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.441 -1.283 -10.452 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.627 -1.963 -8.059 1.00 0.00 C ATOM 502 CE2 PHE A 33 3.004 -2.534 -10.295 1.00 0.00 C ATOM 503 CZ PHE A 33 3.599 -2.875 -9.099 1.00 0.00 C ATOM 0 H PHE A 33 3.557 2.605 -7.902 1.00 0.00 H new ATOM 0 HA PHE A 33 3.464 1.853 -10.738 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.273 1.255 -8.722 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.181 0.983 -10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.090 -0.004 -7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.977 -1.021 -11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.089 -2.228 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.978 -3.244 -11.108 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.042 -3.852 -8.974 1.00 0.00 H new ATOM 513 N GLU A 34 1.449 3.535 -11.127 1.00 0.00 N ATOM 514 CA GLU A 34 0.785 4.777 -11.554 1.00 0.00 C ATOM 515 C GLU A 34 -0.139 5.397 -10.494 1.00 0.00 C ATOM 516 O GLU A 34 -0.189 6.620 -10.360 1.00 0.00 O ATOM 517 CB GLU A 34 -0.037 4.488 -12.829 1.00 0.00 C ATOM 518 CG GLU A 34 -1.489 4.062 -12.568 1.00 0.00 C ATOM 519 CD GLU A 34 -2.019 3.078 -13.588 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.654 3.192 -14.777 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.803 2.181 -13.187 1.00 0.00 O ATOM 0 H GLU A 34 1.233 2.733 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 34 1.576 5.505 -11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.041 5.381 -13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.462 3.703 -13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.556 3.617 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.125 4.948 -12.564 1.00 0.00 H new ATOM 528 N ASN A 35 -0.880 4.572 -9.767 1.00 0.00 N ATOM 529 CA ASN A 35 -1.809 5.066 -8.758 1.00 0.00 C ATOM 530 C ASN A 35 -2.317 3.940 -7.876 1.00 0.00 C ATOM 531 O ASN A 35 -2.030 3.893 -6.680 1.00 0.00 O ATOM 532 CB ASN A 35 -2.998 5.763 -9.427 1.00 0.00 C ATOM 533 CG ASN A 35 -2.729 7.225 -9.722 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.056 7.911 -8.954 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.256 7.707 -10.842 1.00 0.00 N ATOM 0 H ASN A 35 -0.856 3.556 -9.857 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.270 5.779 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.240 5.248 -10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.872 5.682 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.109 8.684 -11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.807 7.100 -11.449 1.00 0.00 H new ATOM 542 N GLY A 36 -3.089 3.046 -8.472 1.00 0.00 N ATOM 543 CA GLY A 36 -3.644 1.937 -7.717 1.00 0.00 C ATOM 544 C GLY A 36 -4.107 0.771 -8.574 1.00 0.00 C ATOM 545 O GLY A 36 -4.002 -0.383 -8.158 1.00 0.00 O ATOM 0 H GLY A 36 -3.342 3.065 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.893 1.580 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.487 2.298 -7.129 1.00 0.00 H new ATOM 549 N ASN A 37 -4.640 1.057 -9.757 1.00 0.00 N ATOM 550 CA ASN A 37 -5.135 0.003 -10.635 1.00 0.00 C ATOM 551 C ASN A 37 -4.027 -0.967 -11.051 1.00 0.00 C ATOM 552 O ASN A 37 -4.272 -2.162 -11.202 1.00 0.00 O ATOM 553 CB ASN A 37 -5.815 0.603 -11.865 1.00 0.00 C ATOM 554 CG ASN A 37 -7.292 0.865 -11.625 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.023 -0.176 -11.233 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.772 1.987 -11.792 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.740 2.002 -10.128 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.871 -0.570 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.320 1.536 -12.134 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.699 -0.075 -12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.175 2.757 -12.093 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.766 2.146 -11.629 1.00 0.00 H new ATOM 563 N GLU A 38 -2.814 -0.458 -11.241 1.00 0.00 N ATOM 564 CA GLU A 38 -1.692 -1.295 -11.646 1.00 0.00 C ATOM 565 C GLU A 38 -1.513 -2.521 -10.748 1.00 0.00 C ATOM 566 O GLU A 38 -1.595 -3.654 -11.218 1.00 0.00 O ATOM 567 CB GLU A 38 -0.423 -0.481 -11.580 1.00 0.00 C ATOM 568 CG GLU A 38 -0.617 0.943 -11.992 1.00 0.00 C ATOM 569 CD GLU A 38 -1.181 1.761 -10.847 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.400 2.179 -9.970 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.413 1.975 -10.816 1.00 0.00 O ATOM 0 H GLU A 38 -2.584 0.528 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.901 -1.643 -12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.033 -0.509 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.329 -0.939 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.335 1.366 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.292 0.991 -12.846 1.00 0.00 H new ATOM 578 N VAL A 39 -1.248 -2.293 -9.455 1.00 0.00 N ATOM 579 CA VAL A 39 -1.041 -3.401 -8.517 1.00 0.00 C ATOM 580 C VAL A 39 -2.107 -4.467 -8.700 1.00 0.00 C ATOM 581 O VAL A 39 -1.864 -5.654 -8.496 1.00 0.00 O ATOM 582 CB VAL A 39 -1.048 -2.922 -7.051 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.864 -4.092 -6.094 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.040 -1.891 -6.827 1.00 0.00 C ATOM 0 H VAL A 39 -1.173 -1.364 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.060 -3.822 -8.737 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.017 -2.464 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.873 -3.727 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.676 -4.806 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.088 -4.582 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.022 -1.563 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.011 -2.332 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.129 -1.035 -7.481 1.00 0.00 H new ATOM 594 N LEU A 40 -3.290 -4.027 -9.101 1.00 0.00 N ATOM 595 CA LEU A 40 -4.400 -4.933 -9.332 1.00 0.00 C ATOM 596 C LEU A 40 -4.076 -5.872 -10.489 1.00 0.00 C ATOM 597 O LEU A 40 -4.311 -7.077 -10.408 1.00 0.00 O ATOM 598 CB LEU A 40 -5.670 -4.125 -9.603 1.00 0.00 C ATOM 599 CG LEU A 40 -5.839 -2.898 -8.694 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.207 -2.260 -8.883 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.630 -3.283 -7.236 1.00 0.00 C ATOM 0 H LEU A 40 -3.504 -3.045 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.568 -5.545 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.663 -3.796 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.535 -4.776 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.083 -2.165 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.298 -1.394 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.321 -1.943 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.983 -2.985 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.753 -2.402 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.362 -4.039 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.625 -3.684 -7.106 1.00 0.00 H new ATOM 613 N ALA A 41 -3.516 -5.313 -11.555 1.00 0.00 N ATOM 614 CA ALA A 41 -3.131 -6.102 -12.720 1.00 0.00 C ATOM 615 C ALA A 41 -1.771 -6.755 -12.503 1.00 0.00 C ATOM 616 O ALA A 41 -1.588 -7.948 -12.744 1.00 0.00 O ATOM 617 CB ALA A 41 -3.104 -5.230 -13.964 1.00 0.00 C ATOM 0 H ALA A 41 -3.318 -4.316 -11.637 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.872 -6.889 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.815 -5.833 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.094 -4.807 -14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.383 -4.424 -13.828 1.00 0.00 H new ATOM 623 N ALA A 42 -0.826 -5.949 -12.046 1.00 0.00 N ATOM 624 CA ALA A 42 0.537 -6.406 -11.783 1.00 0.00 C ATOM 625 C ALA A 42 0.554 -7.607 -10.845 1.00 0.00 C ATOM 626 O ALA A 42 1.365 -8.518 -11.007 1.00 0.00 O ATOM 627 CB ALA A 42 1.370 -5.272 -11.199 1.00 0.00 C ATOM 0 H ALA A 42 -0.978 -4.960 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 42 0.972 -6.718 -12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.383 -5.626 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.403 -4.443 -11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.921 -4.935 -10.265 1.00 0.00 H new ATOM 633 N LEU A 43 -0.339 -7.602 -9.860 1.00 0.00 N ATOM 634 CA LEU A 43 -0.415 -8.692 -8.894 1.00 0.00 C ATOM 635 C LEU A 43 -0.886 -9.986 -9.547 1.00 0.00 C ATOM 636 O LEU A 43 -0.629 -11.078 -9.041 1.00 0.00 O ATOM 637 CB LEU A 43 -1.354 -8.331 -7.749 1.00 0.00 C ATOM 638 CG LEU A 43 -0.763 -7.397 -6.707 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.854 -6.849 -5.801 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.279 -8.136 -5.900 1.00 0.00 C ATOM 0 H LEU A 43 -1.019 -6.857 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 43 0.590 -8.848 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.249 -7.868 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.670 -9.249 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.290 -6.554 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.412 -6.182 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.580 -6.298 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.354 -7.674 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.703 -7.466 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.183 -8.989 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.070 -8.488 -6.562 1.00 0.00 H new ATOM 652 N ALA A 44 -1.579 -9.856 -10.668 1.00 0.00 N ATOM 653 CA ALA A 44 -2.092 -11.015 -11.388 1.00 0.00 C ATOM 654 C ALA A 44 -0.986 -12.018 -11.707 1.00 0.00 C ATOM 655 O ALA A 44 -1.261 -13.178 -12.013 1.00 0.00 O ATOM 656 CB ALA A 44 -2.786 -10.574 -12.666 1.00 0.00 C ATOM 0 H ALA A 44 -1.800 -8.959 -11.100 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.813 -11.514 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.165 -11.449 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.616 -9.912 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.076 -10.045 -13.302 1.00 0.00 H new ATOM 662 N SER A 45 0.265 -11.566 -11.645 1.00 0.00 N ATOM 663 CA SER A 45 1.399 -12.426 -11.937 1.00 0.00 C ATOM 664 C SER A 45 2.347 -12.552 -10.742 1.00 0.00 C ATOM 665 O SER A 45 3.302 -13.327 -10.786 1.00 0.00 O ATOM 666 CB SER A 45 2.164 -11.897 -13.152 1.00 0.00 C ATOM 667 OG SER A 45 1.523 -12.266 -14.359 1.00 0.00 O ATOM 0 H SER A 45 0.514 -10.609 -11.395 1.00 0.00 H new ATOM 0 HA SER A 45 1.006 -13.419 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.239 -10.811 -13.094 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.182 -12.288 -13.143 1.00 0.00 H new ATOM 0 HG SER A 45 2.031 -11.914 -15.120 1.00 0.00 H new ATOM 673 N LYS A 46 2.090 -11.792 -9.678 1.00 0.00 N ATOM 674 CA LYS A 46 2.939 -11.842 -8.494 1.00 0.00 C ATOM 675 C LYS A 46 2.275 -11.172 -7.295 1.00 0.00 C ATOM 676 O LYS A 46 1.329 -10.402 -7.443 1.00 0.00 O ATOM 677 CB LYS A 46 4.280 -11.172 -8.778 1.00 0.00 C ATOM 678 CG LYS A 46 5.449 -11.810 -8.045 1.00 0.00 C ATOM 679 CD LYS A 46 6.178 -10.799 -7.174 1.00 0.00 C ATOM 680 CE LYS A 46 6.502 -11.373 -5.804 1.00 0.00 C ATOM 681 NZ LYS A 46 6.949 -10.320 -4.851 1.00 0.00 N ATOM 0 H LYS A 46 1.308 -11.141 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 46 3.099 -12.892 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.473 -11.205 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.217 -10.120 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.088 -12.631 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.144 -12.237 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.100 -10.490 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.563 -9.906 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.621 -11.875 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.282 -12.128 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.651 -10.575 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.985 -10.240 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.523 -9.409 -5.115 1.00 0.00 H new ATOM 695 N THR A 47 2.787 -11.469 -6.105 1.00 0.00 N ATOM 696 CA THR A 47 2.260 -10.895 -4.878 1.00 0.00 C ATOM 697 C THR A 47 3.389 -10.517 -3.916 1.00 0.00 C ATOM 698 O THR A 47 4.149 -11.379 -3.479 1.00 0.00 O ATOM 699 CB THR A 47 1.299 -11.874 -4.198 1.00 0.00 C ATOM 700 OG1 THR A 47 0.191 -12.151 -5.043 1.00 0.00 O ATOM 701 CG2 THR A 47 0.760 -11.369 -2.869 1.00 0.00 C ATOM 0 H THR A 47 3.570 -12.108 -5.967 1.00 0.00 H new ATOM 0 HA THR A 47 1.716 -9.988 -5.141 1.00 0.00 H new ATOM 0 HB THR A 47 1.885 -12.773 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.413 -12.779 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.086 -12.113 -2.444 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.589 -11.195 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.218 -10.436 -3.027 1.00 0.00 H new ATOM 709 N PRO A 48 3.503 -9.226 -3.555 1.00 0.00 N ATOM 710 CA PRO A 48 4.527 -8.762 -2.629 1.00 0.00 C ATOM 711 C PRO A 48 4.124 -9.032 -1.186 1.00 0.00 C ATOM 712 O PRO A 48 2.963 -9.333 -0.909 1.00 0.00 O ATOM 713 CB PRO A 48 4.589 -7.264 -2.900 1.00 0.00 C ATOM 714 CG PRO A 48 3.204 -6.905 -3.307 1.00 0.00 C ATOM 715 CD PRO A 48 2.632 -8.121 -3.999 1.00 0.00 C ATOM 0 HA PRO A 48 5.484 -9.265 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.898 -6.712 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.307 -7.032 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.603 -6.634 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.207 -6.044 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.594 -8.291 -3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.650 -8.009 -5.083 1.00 0.00 H new ATOM 723 N ASP A 49 5.078 -8.931 -0.270 1.00 0.00 N ATOM 724 CA ASP A 49 4.794 -9.174 1.138 1.00 0.00 C ATOM 725 C ASP A 49 4.015 -8.010 1.748 1.00 0.00 C ATOM 726 O ASP A 49 3.288 -8.185 2.726 1.00 0.00 O ATOM 727 CB ASP A 49 6.087 -9.410 1.917 1.00 0.00 C ATOM 728 CG ASP A 49 6.843 -10.624 1.418 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.233 -11.712 1.342 1.00 0.00 O ATOM 730 OD2 ASP A 49 8.045 -10.490 1.101 1.00 0.00 O ATOM 0 H ASP A 49 6.047 -8.685 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 49 4.178 -10.071 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.724 -8.529 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.854 -9.539 2.974 1.00 0.00 H new ATOM 735 N VAL A 50 4.166 -6.825 1.163 1.00 0.00 N ATOM 736 CA VAL A 50 3.478 -5.639 1.651 1.00 0.00 C ATOM 737 C VAL A 50 3.093 -4.733 0.480 1.00 0.00 C ATOM 738 O VAL A 50 3.621 -4.880 -0.622 1.00 0.00 O ATOM 739 CB VAL A 50 4.369 -4.860 2.639 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.654 -4.419 1.958 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.617 -3.672 3.215 1.00 0.00 C ATOM 0 H VAL A 50 4.760 -6.663 0.350 1.00 0.00 H new ATOM 0 HA VAL A 50 2.575 -5.958 2.171 1.00 0.00 H new ATOM 0 HB VAL A 50 4.634 -5.520 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.272 -3.870 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.198 -5.295 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.415 -3.775 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.263 -3.135 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.318 -3.004 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.730 -4.024 3.742 1.00 0.00 H new ATOM 751 N LEU A 51 2.160 -3.805 0.708 1.00 0.00 N ATOM 752 CA LEU A 51 1.720 -2.903 -0.356 1.00 0.00 C ATOM 753 C LEU A 51 1.208 -1.575 0.198 1.00 0.00 C ATOM 754 O LEU A 51 0.324 -1.540 1.053 1.00 0.00 O ATOM 755 CB LEU A 51 0.629 -3.565 -1.209 1.00 0.00 C ATOM 756 CG LEU A 51 0.228 -2.791 -2.472 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.308 -2.904 -3.536 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.099 -3.294 -3.017 1.00 0.00 C ATOM 0 H LEU A 51 1.701 -3.660 1.607 1.00 0.00 H new ATOM 0 HA LEU A 51 2.589 -2.695 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.972 -4.557 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.258 -3.705 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 51 0.114 -1.742 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.004 -2.348 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.241 -2.492 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.454 -3.952 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.362 -2.730 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.012 -4.351 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.875 -3.162 -2.264 1.00 0.00 H new ATOM 770 N LEU A 52 1.768 -0.484 -0.317 1.00 0.00 N ATOM 771 CA LEU A 52 1.379 0.862 0.094 1.00 0.00 C ATOM 772 C LEU A 52 0.513 1.513 -0.980 1.00 0.00 C ATOM 773 O LEU A 52 0.981 1.771 -2.088 1.00 0.00 O ATOM 774 CB LEU A 52 2.629 1.712 0.323 1.00 0.00 C ATOM 775 CG LEU A 52 2.649 2.539 1.606 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.062 3.029 1.889 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.690 3.714 1.495 1.00 0.00 C ATOM 0 H LEU A 52 2.500 -0.507 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 52 0.807 0.795 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.497 1.053 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.745 2.388 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 52 2.325 1.909 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.066 3.618 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.728 2.173 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.406 3.647 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.716 4.293 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.987 4.348 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.679 3.344 1.328 1.00 0.00 H new ATOM 789 N SER A 53 -0.748 1.779 -0.657 1.00 0.00 N ATOM 790 CA SER A 53 -1.661 2.395 -1.616 1.00 0.00 C ATOM 791 C SER A 53 -2.018 3.824 -1.215 1.00 0.00 C ATOM 792 O SER A 53 -2.250 4.117 -0.044 1.00 0.00 O ATOM 793 CB SER A 53 -2.931 1.551 -1.757 1.00 0.00 C ATOM 794 OG SER A 53 -4.042 2.345 -2.139 1.00 0.00 O ATOM 0 H SER A 53 -1.160 1.580 0.255 1.00 0.00 H new ATOM 0 HA SER A 53 -1.151 2.438 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.769 0.769 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.146 1.054 -0.811 1.00 0.00 H new ATOM 0 HG SER A 53 -4.863 1.815 -2.068 1.00 0.00 H new ATOM 800 N ASP A 54 -2.066 4.712 -2.203 1.00 0.00 N ATOM 801 CA ASP A 54 -2.403 6.109 -1.958 1.00 0.00 C ATOM 802 C ASP A 54 -3.919 6.294 -1.892 1.00 0.00 C ATOM 803 O ASP A 54 -4.672 5.319 -1.913 1.00 0.00 O ATOM 804 CB ASP A 54 -1.811 7.000 -3.054 1.00 0.00 C ATOM 805 CG ASP A 54 -2.328 6.644 -4.435 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.799 5.503 -4.615 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.260 7.507 -5.335 1.00 0.00 O ATOM 0 H ASP A 54 -1.876 4.489 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.976 6.401 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.048 8.042 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.725 6.911 -3.042 1.00 0.00 H new ATOM 812 N ILE A 55 -4.358 7.547 -1.803 1.00 0.00 N ATOM 813 CA ILE A 55 -5.781 7.856 -1.726 1.00 0.00 C ATOM 814 C ILE A 55 -6.050 9.322 -2.088 1.00 0.00 C ATOM 815 O ILE A 55 -5.117 10.103 -2.260 1.00 0.00 O ATOM 816 CB ILE A 55 -6.325 7.528 -0.315 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.822 7.809 -0.210 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.573 8.307 0.743 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.441 7.345 1.092 1.00 0.00 C ATOM 0 H ILE A 55 -3.748 8.364 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.305 7.235 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.170 6.462 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.990 8.880 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.333 7.320 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.971 8.062 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.515 8.046 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.690 9.375 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.506 7.579 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.306 6.268 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.957 7.853 1.926 1.00 0.00 H new ATOM 831 N ARG A 56 -7.329 9.671 -2.239 1.00 0.00 N ATOM 832 CA ARG A 56 -7.742 11.020 -2.615 1.00 0.00 C ATOM 833 C ARG A 56 -7.122 11.408 -3.953 1.00 0.00 C ATOM 834 O ARG A 56 -6.648 12.528 -4.142 1.00 0.00 O ATOM 835 CB ARG A 56 -7.420 12.042 -1.512 1.00 0.00 C ATOM 836 CG ARG A 56 -5.950 12.407 -1.368 1.00 0.00 C ATOM 837 CD ARG A 56 -5.791 13.761 -0.694 1.00 0.00 C ATOM 838 NE ARG A 56 -4.398 14.063 -0.372 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.698 15.048 -0.936 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.245 15.825 -1.863 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.441 15.257 -0.568 1.00 0.00 N ATOM 0 H ARG A 56 -8.106 9.024 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.826 11.026 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.985 12.953 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.773 11.647 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.437 11.643 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.478 12.428 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.187 14.538 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.385 13.781 0.220 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.932 13.485 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.211 15.672 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.699 16.575 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.013 14.665 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.902 16.009 -0.997 1.00 0.00 H new ATOM 855 N MET A 57 -7.156 10.453 -4.881 1.00 0.00 N ATOM 856 CA MET A 57 -6.623 10.643 -6.227 1.00 0.00 C ATOM 857 C MET A 57 -7.371 9.755 -7.228 1.00 0.00 C ATOM 858 O MET A 57 -8.101 10.255 -8.083 1.00 0.00 O ATOM 859 CB MET A 57 -5.122 10.339 -6.261 1.00 0.00 C ATOM 860 CG MET A 57 -4.247 11.581 -6.229 1.00 0.00 C ATOM 861 SD MET A 57 -2.488 11.188 -6.193 1.00 0.00 S ATOM 862 CE MET A 57 -2.125 11.415 -4.454 1.00 0.00 C ATOM 0 H MET A 57 -7.553 9.527 -4.720 1.00 0.00 H new ATOM 0 HA MET A 57 -6.769 11.685 -6.510 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.869 9.705 -5.411 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.896 9.769 -7.162 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.461 12.194 -7.104 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.500 12.177 -5.352 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.070 11.208 -4.272 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.348 12.443 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.736 10.733 -3.863 1.00 0.00 H new ATOM 872 N PRO A 58 -7.207 8.417 -7.135 1.00 0.00 N ATOM 873 CA PRO A 58 -7.877 7.465 -8.037 1.00 0.00 C ATOM 874 C PRO A 58 -9.401 7.559 -7.973 1.00 0.00 C ATOM 875 O PRO A 58 -9.954 8.542 -7.479 1.00 0.00 O ATOM 876 CB PRO A 58 -7.411 6.094 -7.529 1.00 0.00 C ATOM 877 CG PRO A 58 -6.959 6.341 -6.133 1.00 0.00 C ATOM 878 CD PRO A 58 -6.362 7.718 -6.151 1.00 0.00 C ATOM 0 HA PRO A 58 -7.625 7.661 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.220 5.364 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.602 5.698 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.792 6.282 -5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.226 5.598 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.404 8.192 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.315 7.703 -6.453 1.00 0.00 H new ATOM 886 N GLY A 59 -10.071 6.525 -8.480 1.00 0.00 N ATOM 887 CA GLY A 59 -11.525 6.497 -8.483 1.00 0.00 C ATOM 888 C GLY A 59 -12.132 6.748 -7.115 1.00 0.00 C ATOM 889 O GLY A 59 -12.447 7.888 -6.770 1.00 0.00 O ATOM 0 H GLY A 59 -9.630 5.702 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.895 7.249 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.862 5.528 -8.850 1.00 0.00 H new ATOM 893 N MET A 60 -12.303 5.685 -6.330 1.00 0.00 N ATOM 894 CA MET A 60 -12.880 5.809 -4.993 1.00 0.00 C ATOM 895 C MET A 60 -11.853 6.373 -4.020 1.00 0.00 C ATOM 896 O MET A 60 -11.483 5.724 -3.035 1.00 0.00 O ATOM 897 CB MET A 60 -13.409 4.455 -4.501 1.00 0.00 C ATOM 898 CG MET A 60 -14.845 4.517 -4.005 1.00 0.00 C ATOM 899 SD MET A 60 -15.880 3.225 -4.720 1.00 0.00 S ATOM 900 CE MET A 60 -16.305 3.962 -6.298 1.00 0.00 C ATOM 0 H MET A 60 -12.051 4.733 -6.595 1.00 0.00 H new ATOM 0 HA MET A 60 -13.720 6.501 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.343 3.730 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.769 4.093 -3.697 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.855 4.426 -2.919 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.268 5.492 -4.247 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.945 3.280 -6.858 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.834 4.900 -6.131 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.395 4.155 -6.866 1.00 0.00 H new ATOM 910 N ASP A 61 -11.401 7.590 -4.317 1.00 0.00 N ATOM 911 CA ASP A 61 -10.415 8.283 -3.504 1.00 0.00 C ATOM 912 C ASP A 61 -9.112 7.498 -3.442 1.00 0.00 C ATOM 913 O ASP A 61 -8.082 7.941 -3.943 1.00 0.00 O ATOM 914 CB ASP A 61 -10.972 8.513 -2.103 1.00 0.00 C ATOM 915 CG ASP A 61 -11.581 9.896 -1.948 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.242 10.787 -2.754 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.397 10.085 -1.022 1.00 0.00 O ATOM 0 H ASP A 61 -11.712 8.121 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.200 9.248 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.728 7.758 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.174 8.385 -1.371 1.00 0.00 H new ATOM 922 N GLY A 62 -9.172 6.333 -2.826 1.00 0.00 N ATOM 923 CA GLY A 62 -8.009 5.484 -2.695 1.00 0.00 C ATOM 924 C GLY A 62 -8.399 4.083 -2.290 1.00 0.00 C ATOM 925 O GLY A 62 -7.761 3.109 -2.689 1.00 0.00 O ATOM 0 H GLY A 62 -10.021 5.953 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.468 5.455 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.330 5.904 -1.953 1.00 0.00 H new ATOM 929 N LEU A 63 -9.466 3.979 -1.501 1.00 0.00 N ATOM 930 CA LEU A 63 -9.948 2.684 -1.054 1.00 0.00 C ATOM 931 C LEU A 63 -10.422 1.854 -2.239 1.00 0.00 C ATOM 932 O LEU A 63 -10.627 0.648 -2.115 1.00 0.00 O ATOM 933 CB LEU A 63 -11.075 2.821 -0.024 1.00 0.00 C ATOM 934 CG LEU A 63 -10.896 3.942 1.003 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.544 5.221 0.509 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.471 3.534 2.353 1.00 0.00 C ATOM 0 H LEU A 63 -10.008 4.774 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.114 2.175 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.012 2.986 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.173 1.875 0.509 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.829 4.124 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.408 6.008 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.082 5.524 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.609 5.052 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.333 4.345 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.535 3.322 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.957 2.642 2.713 1.00 0.00 H new ATOM 948 N ALA A 64 -10.585 2.496 -3.398 1.00 0.00 N ATOM 949 CA ALA A 64 -11.019 1.786 -4.592 1.00 0.00 C ATOM 950 C ALA A 64 -10.106 0.592 -4.855 1.00 0.00 C ATOM 951 O ALA A 64 -10.543 -0.443 -5.361 1.00 0.00 O ATOM 952 CB ALA A 64 -11.034 2.729 -5.787 1.00 0.00 C ATOM 0 H ALA A 64 -10.424 3.495 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.032 1.415 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.360 2.187 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.721 3.553 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.031 3.124 -5.951 1.00 0.00 H new ATOM 958 N LEU A 65 -8.839 0.736 -4.479 1.00 0.00 N ATOM 959 CA LEU A 65 -7.868 -0.335 -4.647 1.00 0.00 C ATOM 960 C LEU A 65 -8.280 -1.543 -3.818 1.00 0.00 C ATOM 961 O LEU A 65 -8.383 -2.658 -4.332 1.00 0.00 O ATOM 962 CB LEU A 65 -6.478 0.126 -4.212 1.00 0.00 C ATOM 963 CG LEU A 65 -5.754 1.048 -5.193 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.278 2.472 -5.077 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.255 1.003 -4.937 1.00 0.00 C ATOM 0 H LEU A 65 -8.463 1.585 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.837 -0.607 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.568 0.641 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.858 -0.755 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.946 0.701 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.750 3.113 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.345 2.487 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.115 2.838 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.746 1.662 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.050 1.331 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.894 -0.017 -5.070 1.00 0.00 H new ATOM 977 N LEU A 66 -8.516 -1.306 -2.527 1.00 0.00 N ATOM 978 CA LEU A 66 -8.924 -2.364 -1.608 1.00 0.00 C ATOM 979 C LEU A 66 -10.020 -3.225 -2.224 1.00 0.00 C ATOM 980 O LEU A 66 -9.966 -4.454 -2.173 1.00 0.00 O ATOM 981 CB LEU A 66 -9.413 -1.755 -0.289 1.00 0.00 C ATOM 982 CG LEU A 66 -8.308 -1.339 0.683 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.324 -2.478 0.896 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.588 -0.102 0.168 1.00 0.00 C ATOM 0 H LEU A 66 -8.431 -0.386 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.060 -2.998 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.025 -0.881 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.060 -2.477 0.209 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.766 -1.100 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.546 -2.161 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.849 -3.340 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.871 -2.750 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.804 0.182 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.143 -0.318 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.299 0.718 0.067 1.00 0.00 H new ATOM 996 N LYS A 67 -11.010 -2.565 -2.814 1.00 0.00 N ATOM 997 CA LYS A 67 -12.123 -3.260 -3.451 1.00 0.00 C ATOM 998 C LYS A 67 -11.627 -4.184 -4.564 1.00 0.00 C ATOM 999 O LYS A 67 -11.918 -5.379 -4.571 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.124 -2.251 -4.014 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.006 -1.624 -2.947 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.062 -0.716 -3.557 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.547 0.322 -2.557 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.023 0.505 -2.619 1.00 0.00 N ATOM 0 H LYS A 67 -11.065 -1.548 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.619 -3.870 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.581 -1.463 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.754 -2.747 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.491 -2.409 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.389 -1.052 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.651 -0.215 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.906 -1.315 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.261 0.018 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.054 1.274 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.314 1.220 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.294 0.820 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.494 -0.397 -2.406 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.868 -3.633 -5.502 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.333 -4.429 -6.598 1.00 0.00 C ATOM 1020 C GLN A 68 -9.363 -5.480 -6.066 1.00 0.00 C ATOM 1021 O GLN A 68 -9.179 -6.536 -6.673 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.611 -3.538 -7.611 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.466 -2.409 -8.165 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.714 -2.915 -8.862 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.834 -2.600 -8.461 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.524 -3.701 -9.916 1.00 0.00 N ATOM 0 H GLN A 68 -10.611 -2.646 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.168 -4.925 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.727 -3.111 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.263 -4.156 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.753 -1.742 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.875 -1.820 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.577 -3.936 -10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.325 -4.069 -10.428 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.735 -5.174 -4.931 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.769 -6.077 -4.311 1.00 0.00 C ATOM 1037 C ILE A 69 -8.423 -7.372 -3.841 1.00 0.00 C ATOM 1038 O ILE A 69 -7.823 -8.446 -3.911 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.057 -5.396 -3.116 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.059 -4.350 -3.621 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.348 -6.424 -2.235 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.711 -3.302 -2.588 1.00 0.00 C ATOM 0 H ILE A 69 -8.880 -4.303 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.032 -6.321 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.815 -4.900 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.146 -4.854 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.474 -3.858 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.858 -5.915 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.077 -7.134 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.602 -6.957 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.000 -2.594 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.615 -2.772 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.267 -3.783 -1.717 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.641 -7.261 -3.348 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.367 -8.418 -2.850 1.00 0.00 C ATOM 1056 C LYS A 70 -10.899 -9.275 -3.987 1.00 0.00 C ATOM 1057 O LYS A 70 -11.067 -10.486 -3.842 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.513 -7.974 -1.938 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.669 -7.307 -2.664 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.867 -7.122 -1.744 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.855 -6.110 -2.302 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.234 -6.665 -2.385 1.00 0.00 N ATOM 0 H LYS A 70 -10.151 -6.380 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.669 -9.026 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.891 -8.843 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.121 -7.283 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.350 -6.338 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.958 -7.911 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.368 -8.080 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.525 -6.793 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.859 -5.221 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.530 -5.795 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.876 -5.943 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.236 -7.498 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.555 -6.942 -1.435 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.172 -8.638 -5.112 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.699 -9.338 -6.273 1.00 0.00 C ATOM 1078 C GLN A 71 -10.660 -10.268 -6.894 1.00 0.00 C ATOM 1079 O GLN A 71 -11.006 -11.293 -7.481 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.203 -8.337 -7.317 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.691 -8.038 -7.199 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.060 -6.665 -7.729 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.839 -6.541 -8.674 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.500 -5.624 -7.123 1.00 0.00 N ATOM 0 H GLN A 71 -11.038 -7.636 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.533 -9.952 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.644 -7.407 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.996 -8.728 -8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.253 -8.796 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.989 -8.111 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.860 -5.772 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.711 -4.677 -7.438 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.391 -9.899 -6.779 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.314 -10.707 -7.353 1.00 0.00 C ATOM 1095 C ARG A 72 -7.389 -11.288 -6.292 1.00 0.00 C ATOM 1096 O ARG A 72 -7.190 -12.500 -6.226 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.506 -9.880 -8.358 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.918 -10.110 -9.805 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.862 -10.896 -10.567 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.443 -11.977 -11.364 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.645 -11.907 -12.679 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.334 -10.804 -13.350 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.161 -12.942 -13.327 1.00 0.00 N ATOM 0 H ARG A 72 -9.080 -9.054 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.785 -11.546 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.619 -8.822 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.449 -10.120 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.865 -10.649 -9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.082 -9.150 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.311 -10.221 -11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.143 -11.313 -9.862 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.710 -12.836 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.938 -10.003 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.492 -10.758 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.404 -13.792 -12.819 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.315 -12.888 -14.334 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.810 -10.422 -5.481 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.876 -10.858 -4.442 1.00 0.00 C ATOM 1119 C HIS A 73 -6.604 -11.362 -3.201 1.00 0.00 C ATOM 1120 O HIS A 73 -7.722 -10.941 -2.908 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.926 -9.721 -4.069 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.754 -8.732 -5.173 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.898 -7.393 -5.188 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.429 -9.095 -6.459 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.658 -6.967 -6.470 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.380 -8.018 -7.218 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.965 -9.414 -5.516 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.299 -11.689 -4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.306 -9.210 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.954 -10.137 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.243 -10.104 -6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.691 -5.942 -6.810 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.164 -8.000 -8.215 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.969 -12.286 -2.459 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.559 -12.861 -1.253 1.00 0.00 C ATOM 1137 C PRO A 74 -6.552 -11.893 -0.070 1.00 0.00 C ATOM 1138 O PRO A 74 -7.566 -11.262 0.224 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.687 -14.083 -0.967 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.375 -13.808 -1.626 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.635 -12.843 -2.753 1.00 0.00 C ATOM 0 HA PRO A 74 -7.611 -13.105 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.562 -14.232 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.142 -14.990 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.668 -13.385 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.934 -14.730 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.877 -12.061 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.619 -13.347 -3.719 1.00 0.00 H new ATOM 1149 N MET A 75 -5.415 -11.782 0.617 1.00 0.00 N ATOM 1150 CA MET A 75 -5.313 -10.892 1.769 1.00 0.00 C ATOM 1151 C MET A 75 -4.015 -10.084 1.747 1.00 0.00 C ATOM 1152 O MET A 75 -3.298 -10.011 2.745 1.00 0.00 O ATOM 1153 CB MET A 75 -5.401 -11.697 3.067 1.00 0.00 C ATOM 1154 CG MET A 75 -6.633 -12.589 3.156 1.00 0.00 C ATOM 1155 SD MET A 75 -6.303 -14.147 4.000 1.00 0.00 S ATOM 1156 CE MET A 75 -7.970 -14.764 4.227 1.00 0.00 C ATOM 0 H MET A 75 -4.560 -12.293 0.397 1.00 0.00 H new ATOM 0 HA MET A 75 -6.146 -10.191 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.509 -12.316 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.401 -11.008 3.911 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.425 -12.056 3.682 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.001 -12.796 2.151 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.935 -15.726 4.738 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.542 -14.055 4.826 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.448 -14.886 3.255 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.722 -9.472 0.605 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.515 -8.663 0.460 1.00 0.00 C ATOM 1168 C LEU A 76 -2.563 -7.437 1.375 1.00 0.00 C ATOM 1169 O LEU A 76 -3.414 -6.566 1.207 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.353 -8.218 -0.994 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.930 -8.298 -1.543 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.928 -7.970 -3.026 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.009 -7.355 -0.780 1.00 0.00 C ATOM 0 H LEU A 76 -4.302 -9.520 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.660 -9.275 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.002 -8.831 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.703 -7.190 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.557 -9.314 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.090 -8.029 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.558 -8.683 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.315 -6.962 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.000 -7.426 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.370 -6.332 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.003 -7.632 0.274 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.644 -7.348 2.355 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.596 -6.215 3.287 1.00 0.00 C ATOM 1187 C PRO A 77 -1.488 -4.877 2.563 1.00 0.00 C ATOM 1188 O PRO A 77 -0.507 -4.616 1.867 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.332 -6.475 4.110 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.090 -7.941 3.992 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.586 -8.335 2.630 1.00 0.00 C ATOM 0 HA PRO A 77 -2.503 -6.147 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.513 -5.903 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.471 -6.180 5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.970 -8.172 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.619 -8.488 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.208 -8.291 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.974 -9.353 2.623 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.503 -4.034 2.729 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.521 -2.723 2.085 1.00 0.00 C ATOM 1201 C VAL A 78 -2.363 -1.602 3.104 1.00 0.00 C ATOM 1202 O VAL A 78 -2.871 -1.684 4.225 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.825 -2.492 1.297 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.675 -1.321 0.339 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.230 -3.751 0.549 1.00 0.00 C ATOM 0 H VAL A 78 -3.322 -4.234 3.303 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.678 -2.710 1.394 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.615 -2.250 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.607 -1.176 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.440 -0.418 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.870 -1.529 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.153 -3.567 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.441 -4.029 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.387 -4.562 1.260 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.661 -0.549 2.701 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.437 0.603 3.563 1.00 0.00 C ATOM 1217 C ILE A 79 -1.819 1.890 2.841 1.00 0.00 C ATOM 1218 O ILE A 79 -1.163 2.288 1.879 1.00 0.00 O ATOM 1219 CB ILE A 79 0.034 0.693 4.017 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.539 -0.677 4.489 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.182 1.729 5.125 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.753 -1.174 3.735 1.00 0.00 C ATOM 0 H ILE A 79 -1.236 -0.471 1.777 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.065 0.475 4.445 1.00 0.00 H new ATOM 0 HB ILE A 79 0.640 1.005 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.781 -0.619 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.265 -1.406 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.225 1.782 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.137 2.704 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.436 1.443 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.050 -2.147 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.511 -1.266 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.573 -0.467 3.860 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.891 2.531 3.299 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.356 3.766 2.678 1.00 0.00 C ATOM 1236 C ILE A 80 -2.844 4.998 3.423 1.00 0.00 C ATOM 1237 O ILE A 80 -2.746 5.000 4.650 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.893 3.800 2.586 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.409 2.489 1.985 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.353 4.984 1.751 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.849 2.192 0.611 1.00 0.00 C ATOM 0 H ILE A 80 -3.450 2.218 4.093 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.949 3.788 1.667 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.301 3.913 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.158 1.668 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.497 2.530 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.442 4.991 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.006 5.910 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.941 4.902 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.258 1.249 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.122 2.994 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.763 2.118 0.669 1.00 0.00 H new ATOM 1253 N MET A 81 -2.491 6.031 2.662 1.00 0.00 N ATOM 1254 CA MET A 81 -1.951 7.269 3.229 1.00 0.00 C ATOM 1255 C MET A 81 -3.009 8.112 3.945 1.00 0.00 C ATOM 1256 O MET A 81 -2.694 8.822 4.900 1.00 0.00 O ATOM 1257 CB MET A 81 -1.286 8.102 2.131 1.00 0.00 C ATOM 1258 CG MET A 81 -2.252 8.600 1.067 1.00 0.00 C ATOM 1259 SD MET A 81 -1.473 9.728 -0.105 1.00 0.00 S ATOM 1260 CE MET A 81 -1.662 11.291 0.747 1.00 0.00 C ATOM 0 H MET A 81 -2.569 6.037 1.645 1.00 0.00 H new ATOM 0 HA MET A 81 -1.216 6.975 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.790 8.959 2.588 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.511 7.503 1.653 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.662 7.747 0.526 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.089 9.105 1.549 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.227 12.089 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.721 11.493 0.906 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.153 11.245 1.710 1.00 0.00 H new ATOM 1270 N THR A 82 -4.255 8.052 3.484 1.00 0.00 N ATOM 1271 CA THR A 82 -5.325 8.837 4.101 1.00 0.00 C ATOM 1272 C THR A 82 -6.663 8.098 4.051 1.00 0.00 C ATOM 1273 O THR A 82 -6.789 7.076 3.383 1.00 0.00 O ATOM 1274 CB THR A 82 -5.444 10.199 3.412 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.165 10.782 3.219 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.285 11.184 4.190 1.00 0.00 C ATOM 0 H THR A 82 -4.549 7.476 2.695 1.00 0.00 H new ATOM 0 HA THR A 82 -5.068 8.988 5.150 1.00 0.00 H new ATOM 0 HB THR A 82 -5.931 9.999 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.265 11.650 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.331 12.130 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.292 10.786 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.839 11.348 5.171 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.661 8.612 4.776 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.979 7.977 4.810 1.00 0.00 C ATOM 1286 C ALA A 83 -10.127 8.998 4.829 1.00 0.00 C ATOM 1287 O ALA A 83 -11.258 8.672 4.466 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.079 7.059 6.020 1.00 0.00 C ATOM 0 H ALA A 83 -7.582 9.457 5.341 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.082 7.397 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.062 6.589 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.310 6.289 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.936 7.641 6.931 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.829 10.222 5.267 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.820 11.304 5.357 1.00 0.00 C ATOM 1296 C HIS A 84 -12.221 10.806 5.759 1.00 0.00 C ATOM 1297 O HIS A 84 -12.469 10.546 6.936 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.882 12.115 4.055 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.576 11.331 2.817 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.303 11.206 2.307 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -11.383 10.638 1.978 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.340 10.472 1.213 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -10.590 10.111 0.991 1.00 0.00 N ATOM 0 H HIS A 84 -8.894 10.495 5.570 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.479 11.960 6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.878 12.547 3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.180 12.946 4.126 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -8.462 11.617 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.453 10.522 2.070 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.490 10.210 0.601 1.00 0.00 H new ATOM 1312 N SER A 85 -13.143 10.699 4.794 1.00 0.00 N ATOM 1313 CA SER A 85 -14.509 10.264 5.094 1.00 0.00 C ATOM 1314 C SER A 85 -14.910 9.002 4.330 1.00 0.00 C ATOM 1315 O SER A 85 -15.934 8.391 4.635 1.00 0.00 O ATOM 1316 CB SER A 85 -15.497 11.387 4.776 1.00 0.00 C ATOM 1317 OG SER A 85 -15.033 12.184 3.700 1.00 0.00 O ATOM 0 H SER A 85 -12.969 10.905 3.810 1.00 0.00 H new ATOM 0 HA SER A 85 -14.537 10.024 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.468 10.961 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.641 12.010 5.659 1.00 0.00 H new ATOM 0 HG SER A 85 -15.683 12.894 3.515 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.113 8.607 3.342 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.420 7.409 2.564 1.00 0.00 C ATOM 1325 C ASP A 86 -13.955 6.141 3.289 1.00 0.00 C ATOM 1326 O ASP A 86 -13.826 5.079 2.682 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.786 7.489 1.172 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.612 8.319 0.206 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.319 9.240 0.666 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.551 8.046 -1.012 1.00 0.00 O ATOM 0 H ASP A 86 -13.260 9.091 3.063 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.503 7.356 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.788 7.919 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.667 6.482 0.772 1.00 0.00 H new ATOM 1335 N LEU A 87 -13.719 6.262 4.595 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.282 5.139 5.422 1.00 0.00 C ATOM 1337 C LEU A 87 -14.175 3.912 5.238 1.00 0.00 C ATOM 1338 O LEU A 87 -13.780 2.793 5.566 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.257 5.552 6.894 1.00 0.00 C ATOM 1340 CG LEU A 87 -11.860 5.771 7.476 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -11.951 6.418 8.850 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.099 4.453 7.553 1.00 0.00 C ATOM 0 H LEU A 87 -13.825 7.138 5.107 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.277 4.866 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.831 6.472 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.763 4.785 7.480 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.313 6.443 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.948 6.567 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.454 7.381 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.516 5.770 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.107 4.629 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.642 3.756 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.003 4.030 6.553 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.390 4.130 4.741 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.348 3.044 4.545 1.00 0.00 C ATOM 1356 C ASP A 88 -15.708 1.837 3.856 1.00 0.00 C ATOM 1357 O ASP A 88 -15.778 0.720 4.368 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.536 3.538 3.720 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.663 4.060 4.589 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.561 5.208 5.068 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.648 3.319 4.792 1.00 0.00 O ATOM 0 H ASP A 88 -15.735 5.050 4.466 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.689 2.725 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.204 4.328 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.907 2.724 3.098 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.079 2.057 2.707 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.434 0.964 1.988 1.00 0.00 C ATOM 1368 C ALA A 89 -13.260 0.410 2.788 1.00 0.00 C ATOM 1369 O ALA A 89 -12.828 -0.722 2.570 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.974 1.416 0.606 1.00 0.00 C ATOM 0 H ALA A 89 -15.002 2.970 2.258 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.168 0.168 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.496 0.583 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.834 1.754 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.262 2.235 0.709 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.754 1.213 3.720 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.636 0.805 4.561 1.00 0.00 C ATOM 1378 C ALA A 90 -12.042 -0.308 5.515 1.00 0.00 C ATOM 1379 O ALA A 90 -11.280 -1.246 5.749 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.105 1.992 5.351 1.00 0.00 C ATOM 0 H ALA A 90 -13.103 2.152 3.911 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.849 0.428 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.270 1.670 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.766 2.766 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.897 2.392 5.984 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.245 -0.197 6.072 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.737 -1.199 7.008 1.00 0.00 C ATOM 1388 C VAL A 91 -13.746 -2.581 6.378 1.00 0.00 C ATOM 1389 O VAL A 91 -13.287 -3.552 6.981 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.144 -0.878 7.534 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.438 -1.727 8.762 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.279 0.604 7.855 1.00 0.00 C ATOM 0 H VAL A 91 -13.892 0.571 5.892 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.047 -1.184 7.852 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.872 -1.115 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.437 -1.497 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.384 -2.783 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.704 -1.510 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.284 0.806 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.549 0.879 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.100 1.189 6.953 1.00 0.00 H new ATOM 1402 N SER A 92 -14.257 -2.665 5.157 1.00 0.00 N ATOM 1403 CA SER A 92 -14.305 -3.931 4.446 1.00 0.00 C ATOM 1404 C SER A 92 -12.891 -4.450 4.219 1.00 0.00 C ATOM 1405 O SER A 92 -12.601 -5.626 4.434 1.00 0.00 O ATOM 1406 CB SER A 92 -15.031 -3.769 3.106 1.00 0.00 C ATOM 1407 OG SER A 92 -16.436 -3.722 3.288 1.00 0.00 O ATOM 0 H SER A 92 -14.642 -1.874 4.642 1.00 0.00 H new ATOM 0 HA SER A 92 -14.857 -4.651 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.694 -2.856 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.774 -4.599 2.447 1.00 0.00 H new ATOM 0 HG SER A 92 -16.875 -3.617 2.418 1.00 0.00 H new ATOM 1413 N ALA A 93 -12.005 -3.554 3.797 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.614 -3.906 3.547 1.00 0.00 C ATOM 1415 C ALA A 93 -10.040 -4.710 4.700 1.00 0.00 C ATOM 1416 O ALA A 93 -9.337 -5.700 4.497 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.790 -2.654 3.306 1.00 0.00 C ATOM 0 H ALA A 93 -12.228 -2.574 3.621 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.574 -4.528 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.752 -2.931 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.183 -2.121 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.842 -2.010 4.184 1.00 0.00 H new ATOM 1423 N TYR A 94 -10.360 -4.285 5.911 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.891 -4.973 7.109 1.00 0.00 C ATOM 1425 C TYR A 94 -10.308 -6.437 7.073 1.00 0.00 C ATOM 1426 O TYR A 94 -9.667 -7.295 7.681 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.452 -4.315 8.371 1.00 0.00 C ATOM 1428 CG TYR A 94 -10.214 -2.825 8.451 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.981 -2.279 8.127 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.225 -1.966 8.859 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.757 -0.917 8.207 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -11.012 -0.602 8.940 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.777 -0.083 8.614 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.561 1.273 8.697 1.00 0.00 O ATOM 0 H TYR A 94 -10.942 -3.468 6.094 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.803 -4.905 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.525 -4.503 8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.005 -4.790 9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.181 -2.930 7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.193 -2.369 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.790 -0.509 7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.809 0.054 9.257 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.381 1.717 8.998 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.388 -6.713 6.355 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.899 -8.073 6.236 1.00 0.00 C ATOM 1446 C GLN A 95 -10.969 -8.913 5.368 1.00 0.00 C ATOM 1447 O GLN A 95 -10.644 -10.052 5.701 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.343 -8.063 5.681 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.520 -8.619 4.263 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.186 -7.639 3.316 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.381 -6.843 2.620 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -15.412 -7.599 3.208 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.928 -6.013 5.846 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.931 -8.527 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.975 -8.638 6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.710 -7.037 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.544 -8.895 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.115 -9.531 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.994 -8.228 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.846 -6.937 2.565 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.560 -8.341 4.246 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.685 -9.022 3.312 1.00 0.00 C ATOM 1463 C GLN A 96 -8.249 -9.099 3.822 1.00 0.00 C ATOM 1464 O GLN A 96 -7.463 -9.914 3.347 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.737 -8.312 1.966 1.00 0.00 C ATOM 1466 CG GLN A 96 -11.015 -8.602 1.209 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.198 -10.075 0.917 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.229 -10.816 0.762 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.452 -10.510 0.845 1.00 0.00 N ATOM 0 H GLN A 96 -10.825 -7.398 3.961 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.037 -10.048 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.646 -7.237 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.883 -8.620 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.865 -8.242 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.011 -8.047 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.226 -9.860 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.640 -11.494 0.655 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.912 -8.260 4.796 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.567 -8.277 5.346 1.00 0.00 C ATOM 1480 C GLY A 97 -5.840 -6.956 5.185 1.00 0.00 C ATOM 1481 O GLY A 97 -4.618 -6.930 5.034 1.00 0.00 O ATOM 0 H GLY A 97 -8.540 -7.573 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.617 -8.530 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.991 -9.063 4.858 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.582 -5.854 5.228 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.982 -4.532 5.099 1.00 0.00 C ATOM 1487 C ALA A 98 -5.055 -4.259 6.272 1.00 0.00 C ATOM 1488 O ALA A 98 -5.314 -4.707 7.390 1.00 0.00 O ATOM 1489 CB ALA A 98 -7.057 -3.462 5.015 1.00 0.00 C ATOM 0 H ALA A 98 -7.595 -5.850 5.351 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.399 -4.506 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.589 -2.482 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.689 -3.649 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.666 -3.486 5.919 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.971 -3.533 6.027 1.00 0.00 N ATOM 1496 CA PHE A 99 -3.028 -3.232 7.088 1.00 0.00 C ATOM 1497 C PHE A 99 -3.553 -2.126 7.994 1.00 0.00 C ATOM 1498 O PHE A 99 -3.632 -2.300 9.210 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.667 -2.836 6.519 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.566 -2.942 7.532 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.339 -4.135 8.197 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.231 -1.850 7.829 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.664 -4.237 9.141 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.236 -1.947 8.770 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.454 -3.142 9.428 1.00 0.00 C ATOM 0 H PHE A 99 -3.728 -3.148 5.114 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.907 -4.139 7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.434 -3.474 5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.716 -1.813 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.953 -4.995 7.975 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.065 -0.913 7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.830 -5.173 9.654 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.852 -1.088 8.992 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.240 -3.219 10.165 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.921 -0.990 7.400 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.446 0.136 8.175 1.00 0.00 C ATOM 1517 C ASP A 100 -4.641 1.378 7.307 1.00 0.00 C ATOM 1518 O ASP A 100 -4.603 1.310 6.079 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.511 0.467 9.346 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.263 0.625 10.653 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.595 -0.405 11.276 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.519 1.780 11.053 1.00 0.00 O ATOM 0 H ASP A 100 -3.866 -0.825 6.395 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.419 -0.165 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.768 -0.324 9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.969 1.387 9.127 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.851 2.512 7.971 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.053 3.787 7.293 1.00 0.00 C ATOM 1529 C TYR A 101 -4.378 4.909 8.074 1.00 0.00 C ATOM 1530 O TYR A 101 -4.249 4.833 9.296 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.548 4.087 7.149 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.127 3.676 5.816 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.472 2.356 5.562 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.332 4.615 4.815 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.005 1.984 4.342 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.865 4.254 3.594 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.200 2.934 3.361 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.727 2.564 2.143 1.00 0.00 O ATOM 0 H TYR A 101 -4.886 2.572 8.989 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.609 3.722 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.090 3.574 7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.710 5.156 7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.322 1.609 6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.070 5.647 4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.268 0.953 4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.019 4.998 2.826 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.122 1.670 2.215 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.944 5.948 7.370 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.282 7.076 8.012 1.00 0.00 C ATOM 1550 C LEU A 102 -4.210 8.288 8.096 1.00 0.00 C ATOM 1551 O LEU A 102 -4.661 8.800 7.077 1.00 0.00 O ATOM 1552 CB LEU A 102 -2.016 7.444 7.239 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.709 7.063 7.930 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.695 5.585 8.271 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.473 7.408 7.047 1.00 0.00 C ATOM 0 H LEU A 102 -4.038 6.032 6.358 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.017 6.781 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.049 6.959 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.016 8.519 7.061 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.633 7.631 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.245 5.334 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.526 5.358 8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.794 5.000 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.398 7.131 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.396 6.863 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.476 8.479 6.846 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.509 8.769 9.315 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.384 9.930 9.499 1.00 0.00 C ATOM 1569 C PRO A 103 -4.733 11.226 9.016 1.00 0.00 C ATOM 1570 O PRO A 103 -5.087 11.749 7.959 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.628 9.972 11.009 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.495 9.217 11.622 1.00 0.00 C ATOM 1573 CD PRO A 103 -4.022 8.224 10.594 1.00 0.00 C ATOM 0 HA PRO A 103 -6.303 9.842 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.656 10.999 11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.585 9.517 11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.689 9.894 11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.817 8.708 12.530 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.936 8.131 10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.428 7.230 10.784 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.788 11.745 9.795 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.098 12.984 9.443 1.00 0.00 C ATOM 1583 C LYS A 104 -1.662 12.731 8.971 1.00 0.00 C ATOM 1584 O LYS A 104 -1.307 13.086 7.847 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.092 13.948 10.630 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.411 15.382 10.240 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.313 16.323 11.427 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.623 17.056 11.661 1.00 0.00 C ATOM 1589 NZ LYS A 104 -4.942 17.991 10.549 1.00 0.00 N ATOM 0 H LYS A 104 -3.482 11.328 10.674 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.646 13.431 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.819 13.609 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.113 13.918 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.723 15.708 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.416 15.430 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.045 15.758 12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.515 17.046 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.430 16.331 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.566 17.611 12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.746 18.592 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.115 18.589 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.188 17.447 9.698 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.804 12.131 9.822 1.00 0.00 N ATOM 1604 CA PRO A 105 0.594 11.862 9.465 1.00 0.00 C ATOM 1605 C PRO A 105 0.727 10.960 8.243 1.00 0.00 C ATOM 1606 O PRO A 105 -0.183 10.198 7.915 1.00 0.00 O ATOM 1607 CB PRO A 105 1.171 11.169 10.709 1.00 0.00 C ATOM 1608 CG PRO A 105 -0.016 10.693 11.476 1.00 0.00 C ATOM 1609 CD PRO A 105 -1.113 11.678 11.189 1.00 0.00 C ATOM 0 HA PRO A 105 1.117 12.780 9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.820 10.338 10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.772 11.859 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.303 9.688 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.200 10.649 12.543 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.097 11.214 11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.108 12.505 11.899 1.00 0.00 H new ATOM 1617 N PHE A 106 1.874 11.053 7.579 1.00 0.00 N ATOM 1618 CA PHE A 106 2.148 10.251 6.395 1.00 0.00 C ATOM 1619 C PHE A 106 3.634 10.326 6.041 1.00 0.00 C ATOM 1620 O PHE A 106 4.459 9.718 6.719 1.00 0.00 O ATOM 1621 CB PHE A 106 1.271 10.705 5.222 1.00 0.00 C ATOM 1622 CG PHE A 106 1.536 9.955 3.946 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.581 8.570 3.937 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.747 10.637 2.761 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.833 7.879 2.767 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.000 9.952 1.587 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.042 8.571 1.589 1.00 0.00 C ATOM 0 H PHE A 106 2.633 11.681 7.844 1.00 0.00 H new ATOM 0 HA PHE A 106 1.902 9.211 6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.223 10.583 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.433 11.769 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.417 8.024 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.714 11.716 2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.867 6.800 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.165 10.496 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.238 8.034 0.673 1.00 0.00 H new ATOM 1637 N ASP A 107 3.985 11.073 4.990 1.00 0.00 N ATOM 1638 CA ASP A 107 5.382 11.207 4.577 1.00 0.00 C ATOM 1639 C ASP A 107 6.104 9.859 4.626 1.00 0.00 C ATOM 1640 O ASP A 107 5.502 8.832 4.933 1.00 0.00 O ATOM 1641 CB ASP A 107 6.101 12.230 5.464 1.00 0.00 C ATOM 1642 CG ASP A 107 6.161 11.809 6.920 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.001 10.950 7.256 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.373 12.348 7.727 1.00 0.00 O ATOM 0 H ASP A 107 3.323 11.592 4.413 1.00 0.00 H new ATOM 0 HA ASP A 107 5.398 11.560 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.115 12.378 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.591 13.190 5.389 1.00 0.00 H new ATOM 1649 N ILE A 108 7.389 9.858 4.312 1.00 0.00 N ATOM 1650 CA ILE A 108 8.163 8.624 4.331 1.00 0.00 C ATOM 1651 C ILE A 108 8.334 8.092 5.747 1.00 0.00 C ATOM 1652 O ILE A 108 8.263 6.887 5.987 1.00 0.00 O ATOM 1653 CB ILE A 108 9.528 8.804 3.633 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.551 7.987 2.346 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.679 8.396 4.535 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.424 8.328 1.390 1.00 0.00 C ATOM 0 H ILE A 108 7.916 10.689 4.043 1.00 0.00 H new ATOM 0 HA ILE A 108 7.599 7.880 3.768 1.00 0.00 H new ATOM 0 HB ILE A 108 9.655 9.861 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.504 8.146 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.495 6.928 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.622 8.537 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.671 9.010 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.571 7.347 4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.504 7.708 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.466 8.142 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.491 9.379 1.109 1.00 0.00 H new ATOM 1668 N ASP A 109 8.580 9.000 6.671 1.00 0.00 N ATOM 1669 CA ASP A 109 8.786 8.636 8.070 1.00 0.00 C ATOM 1670 C ASP A 109 7.677 7.716 8.585 1.00 0.00 C ATOM 1671 O ASP A 109 7.948 6.605 9.037 1.00 0.00 O ATOM 1672 CB ASP A 109 8.864 9.891 8.939 1.00 0.00 C ATOM 1673 CG ASP A 109 9.784 9.710 10.130 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.017 9.667 9.927 1.00 0.00 O ATOM 1675 OD2 ASP A 109 9.274 9.608 11.265 1.00 0.00 O ATOM 0 H ASP A 109 8.643 10.000 6.483 1.00 0.00 H new ATOM 0 HA ASP A 109 9.729 8.093 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.216 10.727 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.865 10.150 9.290 1.00 0.00 H new ATOM 1680 N GLU A 110 6.432 8.185 8.521 1.00 0.00 N ATOM 1681 CA GLU A 110 5.299 7.396 8.988 1.00 0.00 C ATOM 1682 C GLU A 110 4.934 6.309 7.987 1.00 0.00 C ATOM 1683 O GLU A 110 4.467 5.237 8.366 1.00 0.00 O ATOM 1684 CB GLU A 110 4.084 8.290 9.263 1.00 0.00 C ATOM 1685 CG GLU A 110 4.267 9.214 10.456 1.00 0.00 C ATOM 1686 CD GLU A 110 3.459 8.774 11.662 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.232 7.556 11.812 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.054 9.650 12.455 1.00 0.00 O ATOM 0 H GLU A 110 6.185 9.103 8.152 1.00 0.00 H new ATOM 0 HA GLU A 110 5.597 6.917 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.877 8.890 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.211 7.660 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.323 9.251 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.974 10.226 10.176 1.00 0.00 H new ATOM 1695 N ALA A 111 5.151 6.586 6.711 1.00 0.00 N ATOM 1696 CA ALA A 111 4.845 5.614 5.670 1.00 0.00 C ATOM 1697 C ALA A 111 5.756 4.404 5.800 1.00 0.00 C ATOM 1698 O ALA A 111 5.294 3.287 6.029 1.00 0.00 O ATOM 1699 CB ALA A 111 4.977 6.239 4.291 1.00 0.00 C ATOM 0 H ALA A 111 5.535 7.468 6.372 1.00 0.00 H new ATOM 0 HA ALA A 111 3.812 5.288 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.744 5.494 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.285 7.076 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.997 6.595 4.149 1.00 0.00 H new ATOM 1705 N VAL A 112 7.056 4.637 5.666 1.00 0.00 N ATOM 1706 CA VAL A 112 8.035 3.565 5.786 1.00 0.00 C ATOM 1707 C VAL A 112 7.945 2.902 7.152 1.00 0.00 C ATOM 1708 O VAL A 112 8.207 1.711 7.306 1.00 0.00 O ATOM 1709 CB VAL A 112 9.465 4.082 5.572 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.458 2.929 5.620 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.563 4.836 4.254 1.00 0.00 C ATOM 0 H VAL A 112 7.455 5.556 5.475 1.00 0.00 H new ATOM 0 HA VAL A 112 7.806 2.835 5.010 1.00 0.00 H new ATOM 0 HB VAL A 112 9.713 4.774 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.467 3.311 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.399 2.439 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.219 2.210 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.582 5.197 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.300 4.169 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.877 5.683 4.268 1.00 0.00 H new ATOM 1721 N ALA A 113 7.559 3.685 8.142 1.00 0.00 N ATOM 1722 CA ALA A 113 7.411 3.181 9.495 1.00 0.00 C ATOM 1723 C ALA A 113 6.300 2.147 9.540 1.00 0.00 C ATOM 1724 O ALA A 113 6.435 1.083 10.147 1.00 0.00 O ATOM 1725 CB ALA A 113 7.084 4.321 10.436 1.00 0.00 C ATOM 0 H ALA A 113 7.342 4.676 8.034 1.00 0.00 H new ATOM 0 HA ALA A 113 8.347 2.717 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.974 3.936 11.450 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.889 5.055 10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.153 4.794 10.125 1.00 0.00 H new ATOM 1731 N LEU A 114 5.195 2.492 8.895 1.00 0.00 N ATOM 1732 CA LEU A 114 4.026 1.630 8.841 1.00 0.00 C ATOM 1733 C LEU A 114 4.209 0.493 7.838 1.00 0.00 C ATOM 1734 O LEU A 114 3.524 -0.524 7.918 1.00 0.00 O ATOM 1735 CB LEU A 114 2.788 2.456 8.476 1.00 0.00 C ATOM 1736 CG LEU A 114 1.450 1.719 8.581 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.194 1.260 10.010 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.316 2.613 8.104 1.00 0.00 C ATOM 0 H LEU A 114 5.085 3.375 8.396 1.00 0.00 H new ATOM 0 HA LEU A 114 3.892 1.185 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.753 3.331 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.903 2.820 7.455 1.00 0.00 H new ATOM 0 HG LEU A 114 1.496 0.837 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.238 0.739 10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.991 0.586 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.170 2.126 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.629 2.076 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.277 3.511 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.487 2.894 7.065 1.00 0.00 H new ATOM 1750 N VAL A 115 5.125 0.660 6.889 1.00 0.00 N ATOM 1751 CA VAL A 115 5.358 -0.378 5.888 1.00 0.00 C ATOM 1752 C VAL A 115 6.226 -1.508 6.439 1.00 0.00 C ATOM 1753 O VAL A 115 5.938 -2.687 6.229 1.00 0.00 O ATOM 1754 CB VAL A 115 5.982 0.182 4.587 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.472 0.441 4.747 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.735 -0.770 3.427 1.00 0.00 C ATOM 0 H VAL A 115 5.710 1.490 6.791 1.00 0.00 H new ATOM 0 HA VAL A 115 4.376 -0.781 5.640 1.00 0.00 H new ATOM 0 HB VAL A 115 5.499 1.135 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.875 0.833 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.632 1.166 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.978 -0.491 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.180 -0.361 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.185 -1.738 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.662 -0.894 3.280 1.00 0.00 H new ATOM 1766 N GLU A 116 7.288 -1.137 7.145 1.00 0.00 N ATOM 1767 CA GLU A 116 8.202 -2.111 7.727 1.00 0.00 C ATOM 1768 C GLU A 116 7.474 -3.019 8.712 1.00 0.00 C ATOM 1769 O GLU A 116 7.656 -4.237 8.698 1.00 0.00 O ATOM 1770 CB GLU A 116 9.359 -1.394 8.427 1.00 0.00 C ATOM 1771 CG GLU A 116 10.286 -0.658 7.470 1.00 0.00 C ATOM 1772 CD GLU A 116 11.401 0.080 8.184 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.943 -0.470 9.166 1.00 0.00 O ATOM 1774 OE2 GLU A 116 11.732 1.209 7.762 1.00 0.00 O ATOM 0 H GLU A 116 7.537 -0.165 7.328 1.00 0.00 H new ATOM 0 HA GLU A 116 8.601 -2.730 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.953 -0.682 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.939 -2.123 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.719 -1.372 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.705 0.052 6.882 1.00 0.00 H new ATOM 1781 N ARG A 117 6.647 -2.423 9.564 1.00 0.00 N ATOM 1782 CA ARG A 117 5.892 -3.182 10.553 1.00 0.00 C ATOM 1783 C ARG A 117 4.934 -4.165 9.883 1.00 0.00 C ATOM 1784 O ARG A 117 4.541 -5.167 10.478 1.00 0.00 O ATOM 1785 CB ARG A 117 5.114 -2.235 11.469 1.00 0.00 C ATOM 1786 CG ARG A 117 6.006 -1.382 12.355 1.00 0.00 C ATOM 1787 CD ARG A 117 6.409 -2.124 13.617 1.00 0.00 C ATOM 1788 NE ARG A 117 5.263 -2.411 14.474 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.249 -3.363 15.405 1.00 0.00 C ATOM 1790 NH1 ARG A 117 6.322 -4.118 15.607 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.161 -3.559 16.136 1.00 0.00 N ATOM 0 H ARG A 117 6.483 -1.417 9.589 1.00 0.00 H new ATOM 0 HA ARG A 117 6.603 -3.753 11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.490 -1.582 10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.443 -2.820 12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.899 -1.091 11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.484 -0.464 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.902 -3.058 13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.135 -1.529 14.171 1.00 0.00 H new ATOM 0 HE ARG A 117 4.421 -1.848 14.352 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.162 -3.970 15.048 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.306 -4.846 16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.334 -2.981 15.985 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.150 -4.288 16.849 1.00 0.00 H new ATOM 1805 N ALA A 118 4.563 -3.868 8.644 1.00 0.00 N ATOM 1806 CA ALA A 118 3.651 -4.721 7.894 1.00 0.00 C ATOM 1807 C ALA A 118 4.339 -5.993 7.413 1.00 0.00 C ATOM 1808 O ALA A 118 3.771 -7.082 7.491 1.00 0.00 O ATOM 1809 CB ALA A 118 3.064 -3.959 6.716 1.00 0.00 C ATOM 0 H ALA A 118 4.880 -3.042 8.137 1.00 0.00 H new ATOM 0 HA ALA A 118 2.844 -5.015 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.384 -4.609 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.518 -3.089 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.868 -3.632 6.057 1.00 0.00 H new ATOM 1815 N ILE A 119 5.565 -5.852 6.918 1.00 0.00 N ATOM 1816 CA ILE A 119 6.325 -6.994 6.431 1.00 0.00 C ATOM 1817 C ILE A 119 6.648 -7.955 7.565 1.00 0.00 C ATOM 1818 O ILE A 119 6.744 -9.167 7.365 1.00 0.00 O ATOM 1819 CB ILE A 119 7.633 -6.542 5.759 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.341 -5.502 4.683 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.377 -7.728 5.163 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.385 -4.417 4.611 1.00 0.00 C ATOM 0 H ILE A 119 6.051 -4.958 6.844 1.00 0.00 H new ATOM 0 HA ILE A 119 5.706 -7.506 5.694 1.00 0.00 H new ATOM 0 HB ILE A 119 8.270 -6.091 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.274 -5.998 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.368 -5.050 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.298 -7.381 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.617 -8.441 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.749 -8.213 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.120 -3.708 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.436 -3.897 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.355 -4.860 4.387 1.00 0.00 H new ATOM 1834 N SER A 120 6.810 -7.398 8.754 1.00 0.00 N ATOM 1835 CA SER A 120 7.120 -8.186 9.939 1.00 0.00 C ATOM 1836 C SER A 120 5.933 -9.054 10.344 1.00 0.00 C ATOM 1837 O SER A 120 6.079 -10.254 10.577 1.00 0.00 O ATOM 1838 CB SER A 120 7.507 -7.266 11.097 1.00 0.00 C ATOM 1839 OG SER A 120 8.893 -6.973 11.076 1.00 0.00 O ATOM 0 H SER A 120 6.732 -6.396 8.926 1.00 0.00 H new ATOM 0 HA SER A 120 7.960 -8.839 9.701 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.936 -6.340 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.247 -7.739 12.044 1.00 0.00 H new ATOM 0 HG SER A 120 9.114 -6.382 11.826 1.00 0.00 H new ATOM 1845 N HIS A 121 4.757 -8.438 10.427 1.00 0.00 N ATOM 1846 CA HIS A 121 3.544 -9.158 10.808 1.00 0.00 C ATOM 1847 C HIS A 121 3.204 -10.241 9.789 1.00 0.00 C ATOM 1848 O HIS A 121 2.526 -11.216 10.109 1.00 0.00 O ATOM 1849 CB HIS A 121 2.370 -8.186 10.947 1.00 0.00 C ATOM 1850 CG HIS A 121 2.311 -7.507 12.279 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.144 -6.466 12.631 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.512 -7.726 13.350 1.00 0.00 C ATOM 1853 CE1 HIS A 121 2.864 -6.077 13.861 1.00 0.00 C ATOM 1854 NE2 HIS A 121 1.878 -6.824 14.319 1.00 0.00 N ATOM 0 H HIS A 121 4.618 -7.446 10.237 1.00 0.00 H new ATOM 0 HA HIS A 121 3.727 -9.638 11.770 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.441 -7.430 10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.439 -8.728 10.783 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.864 -6.060 12.034 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.733 -8.470 13.428 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.358 -5.282 14.400 1.00 0.00 H new