USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 179:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -90:sc= -4.39! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 110:sc= -3.18! USER MOD Single : A 35 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.45) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.29 F(o=-4.3!,f=-1.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -3.54! (180deg=-5.78!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 134:sc= -0.474 USER MOD Single : A 57 MET CE :methyl -152:sc= -0.138 (180deg=-0.773) 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= -7.68! C(o=-7.7!,f=-20!) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -2.44 (180deg=-3.34!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.132 F(o=-1.7,f=-0.13) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.22! C(o=-13!,f=-9.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -168:sc= -10.9! (180deg=-11.1!) USER MOD Single : A 82 THR OG1 : rot 150:sc= -1.44 USER MOD Single : A 84 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-7.1!) USER MOD Single : A 85 SER OG : rot 141:sc= 1.24 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00377 USER MOD Single : A 94 TYR OH : rot 45:sc= 0.24 USER MOD Single : A 95 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -4.78! C(o=-4.8!,f=-4.7!) USER MOD Single : A 101 TYR OH : rot 50:sc= -0.679 USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= 0.00204 (180deg=-1.35!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 9.531 -10.422 -4.228 1.00 0.00 N ATOM 62 CA GLY A 4 9.346 -9.259 -3.391 1.00 0.00 C ATOM 63 C GLY A 4 8.935 -8.051 -4.201 1.00 0.00 C ATOM 64 O GLY A 4 9.778 -7.292 -4.676 1.00 0.00 O ATOM 0 HA2 GLY A 4 8.586 -9.469 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.272 -9.043 -2.858 1.00 0.00 H new ATOM 68 N ILE A 5 7.638 -7.879 -4.383 1.00 0.00 N ATOM 69 CA ILE A 5 7.128 -6.762 -5.157 1.00 0.00 C ATOM 70 C ILE A 5 6.391 -5.768 -4.275 1.00 0.00 C ATOM 71 O ILE A 5 5.390 -6.105 -3.644 1.00 0.00 O ATOM 72 CB ILE A 5 6.181 -7.237 -6.272 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.783 -8.437 -7.002 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.897 -6.097 -7.242 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.485 -9.761 -6.335 1.00 0.00 C ATOM 0 H ILE A 5 6.920 -8.497 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 5 7.993 -6.273 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 5 5.237 -7.549 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.402 -8.460 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.863 -8.307 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.226 -6.446 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.430 -5.271 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.832 -5.758 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.943 -10.568 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.891 -9.758 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.406 -9.913 -6.293 1.00 0.00 H new ATOM 87 N VAL A 6 6.886 -4.538 -4.244 1.00 0.00 N ATOM 88 CA VAL A 6 6.265 -3.495 -3.448 1.00 0.00 C ATOM 89 C VAL A 6 5.507 -2.532 -4.349 1.00 0.00 C ATOM 90 O VAL A 6 6.052 -2.020 -5.322 1.00 0.00 O ATOM 91 CB VAL A 6 7.301 -2.701 -2.622 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.225 -1.903 -3.525 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.593 -1.777 -1.644 1.00 0.00 C ATOM 0 H VAL A 6 7.714 -4.241 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 6 5.580 -3.984 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 6 7.908 -3.413 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.944 -1.354 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.757 -2.581 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.638 -1.200 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.333 -1.222 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.964 -1.078 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.974 -2.368 -0.968 1.00 0.00 H new ATOM 103 N TRP A 7 4.246 -2.293 -4.033 1.00 0.00 N ATOM 104 CA TRP A 7 3.430 -1.393 -4.830 1.00 0.00 C ATOM 105 C TRP A 7 3.036 -0.174 -4.003 1.00 0.00 C ATOM 106 O TRP A 7 2.835 -0.278 -2.793 1.00 0.00 O ATOM 107 CB TRP A 7 2.209 -2.136 -5.369 1.00 0.00 C ATOM 108 CG TRP A 7 2.524 -2.989 -6.565 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.764 -3.373 -6.994 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.590 -3.567 -7.484 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.657 -4.144 -8.121 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.335 -4.280 -8.442 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.199 -3.549 -7.591 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.734 -4.968 -9.490 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.397 -4.233 -8.633 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.371 -4.935 -9.571 1.00 0.00 C ATOM 0 H TRP A 7 3.766 -2.707 -3.234 1.00 0.00 H new ATOM 0 HA TRP A 7 4.005 -1.038 -5.685 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.795 -2.764 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.439 -1.413 -5.638 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.694 -3.107 -6.514 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.437 -4.551 -8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.401 -3.010 -6.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.324 -5.509 -10.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.473 -4.226 -8.726 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.124 -5.460 -10.374 1.00 0.00 H new ATOM 127 N VAL A 8 2.980 0.989 -4.646 1.00 0.00 N ATOM 128 CA VAL A 8 2.669 2.229 -3.942 1.00 0.00 C ATOM 129 C VAL A 8 1.692 3.107 -4.707 1.00 0.00 C ATOM 130 O VAL A 8 1.752 3.213 -5.929 1.00 0.00 O ATOM 131 CB VAL A 8 3.942 3.072 -3.703 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.884 3.778 -2.356 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.207 2.227 -3.825 1.00 0.00 C ATOM 0 H VAL A 8 3.145 1.099 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 8 2.221 1.918 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 8 3.981 3.833 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.792 4.364 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.017 4.439 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.801 3.038 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.082 2.854 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.182 1.426 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.262 1.797 -4.825 1.00 0.00 H new ATOM 143 N VAL A 9 0.816 3.774 -3.971 1.00 0.00 N ATOM 144 CA VAL A 9 -0.142 4.686 -4.580 1.00 0.00 C ATOM 145 C VAL A 9 -0.175 6.002 -3.809 1.00 0.00 C ATOM 146 O VAL A 9 -0.741 6.075 -2.721 1.00 0.00 O ATOM 147 CB VAL A 9 -1.568 4.088 -4.640 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.177 4.321 -6.015 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.553 2.609 -4.300 1.00 0.00 C ATOM 0 H VAL A 9 0.748 3.702 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 9 0.188 4.860 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.185 4.593 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.180 3.896 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.230 5.392 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.557 3.843 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.568 2.214 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.922 2.078 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.159 2.471 -3.293 1.00 0.00 H new ATOM 159 N ASP A 10 0.438 7.036 -4.390 1.00 0.00 N ATOM 160 CA ASP A 10 0.493 8.374 -3.778 1.00 0.00 C ATOM 161 C ASP A 10 1.523 9.256 -4.486 1.00 0.00 C ATOM 162 O ASP A 10 2.703 8.916 -4.555 1.00 0.00 O ATOM 163 CB ASP A 10 0.830 8.299 -2.280 1.00 0.00 C ATOM 164 CG ASP A 10 0.549 9.609 -1.555 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.236 10.605 -2.236 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.643 9.639 -0.302 1.00 0.00 O ATOM 0 H ASP A 10 0.909 6.975 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.497 8.815 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.249 7.500 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.882 8.039 -2.160 1.00 0.00 H new ATOM 171 N ASP A 11 1.068 10.393 -5.000 1.00 0.00 N ATOM 172 CA ASP A 11 1.927 11.351 -5.698 1.00 0.00 C ATOM 173 C ASP A 11 2.378 10.832 -7.065 1.00 0.00 C ATOM 174 O ASP A 11 2.720 11.619 -7.948 1.00 0.00 O ATOM 175 CB ASP A 11 3.143 11.706 -4.844 1.00 0.00 C ATOM 176 CG ASP A 11 3.275 13.200 -4.619 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.232 13.877 -4.503 1.00 0.00 O ATOM 178 OD2 ASP A 11 4.421 13.691 -4.557 1.00 0.00 O ATOM 0 H ASP A 11 0.091 10.680 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 11 1.333 12.249 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.067 11.202 -3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.045 11.333 -5.329 1.00 0.00 H new ATOM 183 N ASP A 12 2.383 9.512 -7.241 1.00 0.00 N ATOM 184 CA ASP A 12 2.795 8.912 -8.502 1.00 0.00 C ATOM 185 C ASP A 12 4.306 9.094 -8.728 1.00 0.00 C ATOM 186 O ASP A 12 5.103 8.808 -7.832 1.00 0.00 O ATOM 187 CB ASP A 12 1.976 9.506 -9.657 1.00 0.00 C ATOM 188 CG ASP A 12 1.897 8.571 -10.850 1.00 0.00 C ATOM 189 OD1 ASP A 12 1.755 7.348 -10.638 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.975 9.061 -11.996 1.00 0.00 O ATOM 0 H ASP A 12 2.106 8.841 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 12 2.601 7.840 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.968 9.730 -9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.423 10.450 -9.968 1.00 0.00 H new ATOM 195 N SER A 13 4.696 9.555 -9.924 1.00 0.00 N ATOM 196 CA SER A 13 6.104 9.757 -10.273 1.00 0.00 C ATOM 197 C SER A 13 6.951 10.204 -9.086 1.00 0.00 C ATOM 198 O SER A 13 8.051 9.695 -8.867 1.00 0.00 O ATOM 199 CB SER A 13 6.220 10.778 -11.406 1.00 0.00 C ATOM 200 OG SER A 13 7.446 10.630 -12.104 1.00 0.00 O ATOM 0 H SER A 13 4.046 9.797 -10.672 1.00 0.00 H new ATOM 0 HA SER A 13 6.492 8.791 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.387 10.654 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.149 11.787 -10.999 1.00 0.00 H new ATOM 0 HG SER A 13 7.495 11.293 -12.824 1.00 0.00 H new ATOM 206 N SER A 14 6.436 11.155 -8.327 1.00 0.00 N ATOM 207 CA SER A 14 7.147 11.674 -7.159 1.00 0.00 C ATOM 208 C SER A 14 7.528 10.547 -6.211 1.00 0.00 C ATOM 209 O SER A 14 8.706 10.233 -6.042 1.00 0.00 O ATOM 210 CB SER A 14 6.285 12.702 -6.424 1.00 0.00 C ATOM 211 OG SER A 14 6.442 13.996 -6.979 1.00 0.00 O ATOM 0 H SER A 14 5.528 11.588 -8.494 1.00 0.00 H new ATOM 0 HA SER A 14 8.060 12.158 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.237 12.406 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.558 12.721 -5.369 1.00 0.00 H new ATOM 0 HG SER A 14 5.867 14.629 -6.501 1.00 0.00 H new ATOM 217 N ILE A 15 6.522 9.934 -5.605 1.00 0.00 N ATOM 218 CA ILE A 15 6.742 8.834 -4.679 1.00 0.00 C ATOM 219 C ILE A 15 7.357 7.632 -5.402 1.00 0.00 C ATOM 220 O ILE A 15 7.968 6.763 -4.779 1.00 0.00 O ATOM 221 CB ILE A 15 5.420 8.440 -3.970 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.935 9.606 -3.102 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.587 7.180 -3.122 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.803 9.875 -1.891 1.00 0.00 C ATOM 0 H ILE A 15 5.542 10.181 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 15 7.447 9.165 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 15 4.676 8.221 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.893 10.507 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.918 9.399 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.639 6.937 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.894 6.351 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.346 7.353 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.393 10.714 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.826 8.989 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.816 10.115 -2.215 1.00 0.00 H new ATOM 236 N ARG A 16 7.201 7.596 -6.722 1.00 0.00 N ATOM 237 CA ARG A 16 7.743 6.505 -7.533 1.00 0.00 C ATOM 238 C ARG A 16 9.265 6.555 -7.607 1.00 0.00 C ATOM 239 O ARG A 16 9.945 5.621 -7.186 1.00 0.00 O ATOM 240 CB ARG A 16 7.156 6.556 -8.946 1.00 0.00 C ATOM 241 CG ARG A 16 7.391 5.284 -9.747 1.00 0.00 C ATOM 242 CD ARG A 16 6.805 5.385 -11.146 1.00 0.00 C ATOM 243 NE ARG A 16 6.945 4.136 -11.892 1.00 0.00 N ATOM 244 CZ ARG A 16 6.190 3.805 -12.937 1.00 0.00 C ATOM 245 NH1 ARG A 16 5.250 4.632 -13.374 1.00 0.00 N ATOM 246 NH2 ARG A 16 6.375 2.644 -13.548 1.00 0.00 N ATOM 0 H ARG A 16 6.704 8.309 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 16 7.461 5.569 -7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.084 6.741 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.592 7.399 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.461 5.088 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.944 4.438 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.750 5.650 -11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.301 6.189 -11.689 1.00 0.00 H new ATOM 0 HE ARG A 16 7.665 3.478 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.102 5.528 -12.909 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.675 4.372 -14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.096 2.003 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.796 2.391 -14.349 1.00 0.00 H new ATOM 260 N TRP A 17 9.793 7.639 -8.156 1.00 0.00 N ATOM 261 CA TRP A 17 11.236 7.798 -8.298 1.00 0.00 C ATOM 262 C TRP A 17 11.966 7.527 -6.985 1.00 0.00 C ATOM 263 O TRP A 17 13.009 6.868 -6.963 1.00 0.00 O ATOM 264 CB TRP A 17 11.568 9.210 -8.779 1.00 0.00 C ATOM 265 CG TRP A 17 13.031 9.426 -9.003 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.771 8.978 -10.056 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.932 10.136 -8.148 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.080 9.370 -9.912 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.204 10.083 -8.748 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.783 10.814 -6.936 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.322 10.682 -8.176 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.896 11.409 -6.367 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.150 11.339 -6.988 1.00 0.00 C ATOM 0 H TRP A 17 9.245 8.423 -8.511 1.00 0.00 H new ATOM 0 HA TRP A 17 11.572 7.068 -9.034 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.032 9.406 -9.707 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.209 9.931 -8.045 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.385 8.400 -10.882 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.836 9.164 -10.565 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.819 10.873 -6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.290 10.630 -8.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.796 11.936 -5.429 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.999 11.814 -6.519 1.00 0.00 H new ATOM 284 N VAL A 18 11.427 8.052 -5.898 1.00 0.00 N ATOM 285 CA VAL A 18 12.051 7.879 -4.598 1.00 0.00 C ATOM 286 C VAL A 18 12.039 6.429 -4.150 1.00 0.00 C ATOM 287 O VAL A 18 13.088 5.834 -3.904 1.00 0.00 O ATOM 288 CB VAL A 18 11.389 8.746 -3.501 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.406 9.105 -2.432 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.767 10.012 -4.078 1.00 0.00 C ATOM 0 H VAL A 18 10.565 8.598 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 18 13.082 8.208 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 18 10.588 8.157 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.928 9.715 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.795 8.193 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.226 9.665 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.313 10.593 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.539 10.608 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.003 9.742 -4.808 1.00 0.00 H new ATOM 300 N LEU A 19 10.847 5.878 -4.003 1.00 0.00 N ATOM 301 CA LEU A 19 10.691 4.506 -3.534 1.00 0.00 C ATOM 302 C LEU A 19 11.110 3.462 -4.565 1.00 0.00 C ATOM 303 O LEU A 19 11.391 2.320 -4.205 1.00 0.00 O ATOM 304 CB LEU A 19 9.248 4.249 -3.093 1.00 0.00 C ATOM 305 CG LEU A 19 9.089 3.227 -1.969 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.852 3.667 -0.730 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.619 3.025 -1.643 1.00 0.00 C ATOM 0 H LEU A 19 9.969 6.358 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 19 11.364 4.400 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.809 5.193 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.675 3.910 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 19 9.505 2.278 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.725 2.925 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.911 3.764 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.468 4.628 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.521 2.294 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.183 3.972 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.096 2.663 -2.528 1.00 0.00 H new ATOM 319 N GLU A 20 11.152 3.829 -5.837 1.00 0.00 N ATOM 320 CA GLU A 20 11.540 2.868 -6.867 1.00 0.00 C ATOM 321 C GLU A 20 13.001 2.478 -6.730 1.00 0.00 C ATOM 322 O GLU A 20 13.330 1.299 -6.600 1.00 0.00 O ATOM 323 CB GLU A 20 11.259 3.397 -8.278 1.00 0.00 C ATOM 324 CG GLU A 20 12.175 4.510 -8.750 1.00 0.00 C ATOM 325 CD GLU A 20 11.852 4.961 -10.160 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.666 4.890 -10.549 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.783 5.385 -10.874 1.00 0.00 O ATOM 0 H GLU A 20 10.928 4.763 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 20 10.928 1.979 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.332 2.567 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.230 3.756 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.091 5.359 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.209 4.169 -8.708 1.00 0.00 H new ATOM 334 N ARG A 21 13.870 3.470 -6.768 1.00 0.00 N ATOM 335 CA ARG A 21 15.304 3.234 -6.663 1.00 0.00 C ATOM 336 C ARG A 21 15.700 2.681 -5.294 1.00 0.00 C ATOM 337 O ARG A 21 16.274 1.595 -5.202 1.00 0.00 O ATOM 338 CB ARG A 21 16.072 4.525 -6.955 1.00 0.00 C ATOM 339 CG ARG A 21 16.014 4.938 -8.418 1.00 0.00 C ATOM 340 CD ARG A 21 17.316 4.629 -9.137 1.00 0.00 C ATOM 341 NE ARG A 21 18.438 5.379 -8.577 1.00 0.00 N ATOM 342 CZ ARG A 21 19.715 5.112 -8.844 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.036 4.118 -9.661 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.673 5.842 -8.291 1.00 0.00 N ATOM 0 H ARG A 21 13.611 4.451 -6.871 1.00 0.00 H new ATOM 0 HA ARG A 21 15.566 2.479 -7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.666 5.329 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.114 4.395 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.193 4.418 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.803 6.005 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.523 3.561 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.212 4.868 -10.195 1.00 0.00 H new ATOM 0 HE ARG A 21 18.231 6.152 -7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.303 3.553 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.016 3.919 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.432 6.608 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.651 5.638 -8.495 1.00 0.00 H new ATOM 358 N ALA A 22 15.409 3.432 -4.236 1.00 0.00 N ATOM 359 CA ALA A 22 15.757 3.011 -2.880 1.00 0.00 C ATOM 360 C ALA A 22 15.277 1.598 -2.571 1.00 0.00 C ATOM 361 O ALA A 22 16.004 0.808 -1.970 1.00 0.00 O ATOM 362 CB ALA A 22 15.209 3.998 -1.860 1.00 0.00 C ATOM 0 H ALA A 22 14.934 4.333 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 22 16.845 3.000 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.477 3.670 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.633 4.985 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.124 4.047 -1.948 1.00 0.00 H new ATOM 368 N LEU A 23 14.060 1.286 -2.980 1.00 0.00 N ATOM 369 CA LEU A 23 13.500 -0.041 -2.739 1.00 0.00 C ATOM 370 C LEU A 23 14.202 -1.082 -3.603 1.00 0.00 C ATOM 371 O LEU A 23 14.279 -2.259 -3.243 1.00 0.00 O ATOM 372 CB LEU A 23 11.991 -0.049 -3.006 1.00 0.00 C ATOM 373 CG LEU A 23 11.206 -1.205 -2.369 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.160 -2.402 -3.301 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.792 -1.602 -1.021 1.00 0.00 C ATOM 0 H LEU A 23 13.441 1.925 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 23 13.663 -0.296 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.572 0.891 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.832 -0.077 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 23 10.187 -0.856 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.599 -3.209 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.673 -2.118 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.175 -2.740 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.212 -2.423 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.826 -1.920 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.758 -0.748 -0.344 1.00 0.00 H new ATOM 387 N ALA A 24 14.731 -0.635 -4.733 1.00 0.00 N ATOM 388 CA ALA A 24 15.449 -1.523 -5.631 1.00 0.00 C ATOM 389 C ALA A 24 16.745 -1.972 -4.978 1.00 0.00 C ATOM 390 O ALA A 24 17.184 -3.109 -5.155 1.00 0.00 O ATOM 391 CB ALA A 24 15.723 -0.836 -6.961 1.00 0.00 C ATOM 0 H ALA A 24 14.676 0.334 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 24 14.833 -2.400 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.261 -1.518 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.778 -0.553 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.326 0.056 -6.792 1.00 0.00 H new ATOM 397 N GLY A 25 17.343 -1.075 -4.195 1.00 0.00 N ATOM 398 CA GLY A 25 18.569 -1.407 -3.501 1.00 0.00 C ATOM 399 C GLY A 25 18.350 -2.526 -2.503 1.00 0.00 C ATOM 400 O GLY A 25 19.273 -3.269 -2.174 1.00 0.00 O ATOM 0 H GLY A 25 16.999 -0.129 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.329 -1.704 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.948 -0.525 -2.985 1.00 0.00 H new ATOM 404 N ALA A 26 17.113 -2.645 -2.024 1.00 0.00 N ATOM 405 CA ALA A 26 16.757 -3.677 -1.067 1.00 0.00 C ATOM 406 C ALA A 26 16.609 -5.031 -1.751 1.00 0.00 C ATOM 407 O ALA A 26 16.623 -6.072 -1.095 1.00 0.00 O ATOM 408 CB ALA A 26 15.465 -3.304 -0.361 1.00 0.00 C ATOM 0 H ALA A 26 16.341 -2.033 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 26 17.559 -3.755 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.204 -4.083 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.597 -2.358 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.665 -3.203 -1.095 1.00 0.00 H new ATOM 414 N GLY A 27 16.485 -5.010 -3.075 1.00 0.00 N ATOM 415 CA GLY A 27 16.355 -6.242 -3.822 1.00 0.00 C ATOM 416 C GLY A 27 14.927 -6.559 -4.219 1.00 0.00 C ATOM 417 O GLY A 27 14.585 -7.725 -4.421 1.00 0.00 O ATOM 0 H GLY A 27 16.473 -4.161 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.968 -6.179 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.749 -7.064 -3.224 1.00 0.00 H new ATOM 421 N LEU A 28 14.084 -5.536 -4.341 1.00 0.00 N ATOM 422 CA LEU A 28 12.704 -5.755 -4.725 1.00 0.00 C ATOM 423 C LEU A 28 12.245 -4.729 -5.763 1.00 0.00 C ATOM 424 O LEU A 28 12.989 -3.816 -6.119 1.00 0.00 O ATOM 425 CB LEU A 28 11.787 -5.742 -3.499 1.00 0.00 C ATOM 426 CG LEU A 28 12.476 -5.920 -2.142 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.843 -4.573 -1.539 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.589 -6.713 -1.194 1.00 0.00 C ATOM 0 H LEU A 28 14.334 -4.560 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 28 12.641 -6.741 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.243 -4.797 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.047 -6.534 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 28 13.398 -6.480 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.331 -4.726 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.522 -4.047 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.940 -3.979 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.094 -6.830 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.648 -6.182 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.388 -7.696 -1.620 1.00 0.00 H new ATOM 440 N THR A 29 11.020 -4.902 -6.258 1.00 0.00 N ATOM 441 CA THR A 29 10.462 -4.004 -7.271 1.00 0.00 C ATOM 442 C THR A 29 9.409 -3.081 -6.666 1.00 0.00 C ATOM 443 O THR A 29 8.545 -3.523 -5.910 1.00 0.00 O ATOM 444 CB THR A 29 9.855 -4.824 -8.417 1.00 0.00 C ATOM 445 OG1 THR A 29 10.870 -5.316 -9.277 1.00 0.00 O ATOM 446 CG2 THR A 29 8.873 -4.049 -9.273 1.00 0.00 C ATOM 0 H THR A 29 10.394 -5.656 -5.974 1.00 0.00 H new ATOM 0 HA THR A 29 11.268 -3.383 -7.662 1.00 0.00 H new ATOM 0 HB THR A 29 9.318 -5.635 -7.925 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.462 -5.837 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.487 -4.696 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.047 -3.700 -8.654 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.378 -3.193 -9.721 1.00 0.00 H new ATOM 454 N CYS A 30 9.486 -1.799 -7.006 1.00 0.00 N ATOM 455 CA CYS A 30 8.540 -0.815 -6.492 1.00 0.00 C ATOM 456 C CYS A 30 7.846 -0.065 -7.623 1.00 0.00 C ATOM 457 O CYS A 30 8.461 0.745 -8.316 1.00 0.00 O ATOM 458 CB CYS A 30 9.264 0.172 -5.578 1.00 0.00 C ATOM 459 SG CYS A 30 8.172 1.184 -4.551 1.00 0.00 S ATOM 0 H CYS A 30 10.193 -1.417 -7.635 1.00 0.00 H new ATOM 0 HA CYS A 30 7.776 -1.346 -5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.941 -0.383 -4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.879 0.831 -6.191 1.00 0.00 H new ATOM 0 HG CYS A 30 7.869 2.277 -5.186 1.00 0.00 H new ATOM 465 N THR A 31 6.552 -0.328 -7.788 1.00 0.00 N ATOM 466 CA THR A 31 5.762 0.334 -8.815 1.00 0.00 C ATOM 467 C THR A 31 4.778 1.275 -8.128 1.00 0.00 C ATOM 468 O THR A 31 4.451 1.078 -6.957 1.00 0.00 O ATOM 469 CB THR A 31 5.022 -0.695 -9.682 1.00 0.00 C ATOM 470 OG1 THR A 31 4.673 -0.133 -10.934 1.00 0.00 O ATOM 471 CG2 THR A 31 3.741 -1.204 -9.065 1.00 0.00 C ATOM 0 H THR A 31 6.030 -0.997 -7.221 1.00 0.00 H new ATOM 0 HA THR A 31 6.415 0.902 -9.477 1.00 0.00 H new ATOM 0 HB THR A 31 5.720 -1.526 -9.783 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.204 -0.803 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.276 -1.926 -9.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.962 -1.684 -8.112 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.059 -0.369 -8.901 1.00 0.00 H new ATOM 479 N THR A 32 4.326 2.309 -8.822 1.00 0.00 N ATOM 480 CA THR A 32 3.413 3.259 -8.206 1.00 0.00 C ATOM 481 C THR A 32 2.195 3.570 -9.061 1.00 0.00 C ATOM 482 O THR A 32 2.186 3.367 -10.274 1.00 0.00 O ATOM 483 CB THR A 32 4.155 4.540 -7.875 1.00 0.00 C ATOM 484 OG1 THR A 32 4.672 5.135 -9.055 1.00 0.00 O ATOM 485 CG2 THR A 32 5.306 4.312 -6.922 1.00 0.00 C ATOM 0 H THR A 32 4.570 2.509 -9.792 1.00 0.00 H new ATOM 0 HA THR A 32 3.039 2.790 -7.296 1.00 0.00 H new ATOM 0 HB THR A 32 3.429 5.197 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.176 5.957 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.803 5.260 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.929 3.892 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.018 3.618 -7.370 1.00 0.00 H new ATOM 493 N PHE A 33 1.162 4.066 -8.387 1.00 0.00 N ATOM 494 CA PHE A 33 -0.092 4.418 -9.026 1.00 0.00 C ATOM 495 C PHE A 33 -0.606 5.776 -8.517 1.00 0.00 C ATOM 496 O PHE A 33 -0.006 6.384 -7.623 1.00 0.00 O ATOM 497 CB PHE A 33 -1.109 3.305 -8.809 1.00 0.00 C ATOM 498 CG PHE A 33 -0.566 1.936 -9.104 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.342 1.338 -8.246 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.968 1.246 -10.236 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.841 0.078 -8.514 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.475 -0.017 -10.508 1.00 0.00 C ATOM 503 CZ PHE A 33 0.433 -0.601 -9.647 1.00 0.00 C ATOM 0 H PHE A 33 1.175 4.234 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 33 0.069 4.525 -10.099 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.455 3.336 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.977 3.488 -9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.663 1.862 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.675 1.700 -10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.550 -0.377 -7.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.799 -0.546 -11.392 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.823 -1.586 -9.858 1.00 0.00 H new ATOM 513 N GLU A 34 -1.682 6.268 -9.130 1.00 0.00 N ATOM 514 CA GLU A 34 -2.248 7.582 -8.802 1.00 0.00 C ATOM 515 C GLU A 34 -2.750 7.718 -7.357 1.00 0.00 C ATOM 516 O GLU A 34 -2.259 8.573 -6.617 1.00 0.00 O ATOM 517 CB GLU A 34 -3.398 7.891 -9.764 1.00 0.00 C ATOM 518 CG GLU A 34 -4.494 6.835 -9.776 1.00 0.00 C ATOM 519 CD GLU A 34 -5.741 7.254 -9.025 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.972 8.474 -8.890 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.485 6.355 -8.571 1.00 0.00 O ATOM 0 H GLU A 34 -2.186 5.772 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.431 8.296 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.836 8.852 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.997 7.996 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.759 6.609 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.107 5.915 -9.338 1.00 0.00 H new ATOM 528 N ASN A 35 -3.723 6.910 -6.949 1.00 0.00 N ATOM 529 CA ASN A 35 -4.252 7.010 -5.598 1.00 0.00 C ATOM 530 C ASN A 35 -4.765 5.676 -5.101 1.00 0.00 C ATOM 531 O ASN A 35 -4.390 5.219 -4.023 1.00 0.00 O ATOM 532 CB ASN A 35 -5.371 8.051 -5.532 1.00 0.00 C ATOM 533 CG ASN A 35 -4.853 9.465 -5.690 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.114 10.126 -6.695 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.113 9.935 -4.693 1.00 0.00 N ATOM 0 H ASN A 35 -4.155 6.189 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.432 7.323 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.102 7.845 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.891 7.962 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.735 10.881 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.923 9.350 -3.879 1.00 0.00 H new ATOM 542 N GLY A 36 -5.625 5.059 -5.885 1.00 0.00 N ATOM 543 CA GLY A 36 -6.177 3.787 -5.488 1.00 0.00 C ATOM 544 C GLY A 36 -6.730 2.969 -6.638 1.00 0.00 C ATOM 545 O GLY A 36 -6.257 1.865 -6.897 1.00 0.00 O ATOM 0 H GLY A 36 -5.950 5.412 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.403 3.208 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.972 3.958 -4.762 1.00 0.00 H new ATOM 549 N ASN A 37 -7.746 3.495 -7.320 1.00 0.00 N ATOM 550 CA ASN A 37 -8.371 2.775 -8.425 1.00 0.00 C ATOM 551 C ASN A 37 -7.344 2.312 -9.443 1.00 0.00 C ATOM 552 O ASN A 37 -7.544 1.302 -10.121 1.00 0.00 O ATOM 553 CB ASN A 37 -9.455 3.624 -9.091 1.00 0.00 C ATOM 554 CG ASN A 37 -10.750 3.617 -8.296 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.265 2.423 -8.005 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.283 4.669 -7.948 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.151 4.411 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.844 1.886 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.099 4.649 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.644 3.247 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.855 5.562 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.153 4.648 -7.416 1.00 0.00 H new ATOM 563 N GLU A 38 -6.239 3.035 -9.538 1.00 0.00 N ATOM 564 CA GLU A 38 -5.186 2.664 -10.469 1.00 0.00 C ATOM 565 C GLU A 38 -4.612 1.293 -10.109 1.00 0.00 C ATOM 566 O GLU A 38 -4.627 0.382 -10.936 1.00 0.00 O ATOM 567 CB GLU A 38 -4.097 3.729 -10.489 1.00 0.00 C ATOM 568 CG GLU A 38 -3.114 3.587 -11.639 1.00 0.00 C ATOM 569 CD GLU A 38 -3.281 4.677 -12.681 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.725 5.779 -12.482 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.970 4.431 -13.693 1.00 0.00 O ATOM 0 H GLU A 38 -6.049 3.873 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.611 2.597 -11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.565 4.712 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.548 3.690 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.097 3.614 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.249 2.614 -12.111 1.00 0.00 H new ATOM 578 N VAL A 39 -4.115 1.131 -8.878 1.00 0.00 N ATOM 579 CA VAL A 39 -3.563 -0.166 -8.470 1.00 0.00 C ATOM 580 C VAL A 39 -4.591 -1.277 -8.635 1.00 0.00 C ATOM 581 O VAL A 39 -4.258 -2.380 -9.061 1.00 0.00 O ATOM 582 CB VAL A 39 -3.098 -0.178 -7.009 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.153 -1.344 -6.764 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.437 1.129 -6.645 1.00 0.00 C ATOM 0 H VAL A 39 -4.083 1.859 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.704 -0.334 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.973 -0.302 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.831 -1.339 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.667 -2.281 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.282 -1.249 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.116 1.097 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.571 1.290 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.146 1.946 -6.781 1.00 0.00 H new ATOM 594 N LEU A 40 -5.840 -0.983 -8.281 1.00 0.00 N ATOM 595 CA LEU A 40 -6.916 -1.965 -8.379 1.00 0.00 C ATOM 596 C LEU A 40 -6.941 -2.613 -9.760 1.00 0.00 C ATOM 597 O LEU A 40 -7.108 -3.826 -9.883 1.00 0.00 O ATOM 598 CB LEU A 40 -8.268 -1.307 -8.084 1.00 0.00 C ATOM 599 CG LEU A 40 -8.293 -0.406 -6.846 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.699 0.114 -6.578 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.759 -1.145 -5.626 1.00 0.00 C ATOM 0 H LEU A 40 -6.131 -0.073 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.730 -2.742 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.564 -0.716 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.017 -2.090 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.644 0.448 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.689 0.751 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.044 0.690 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.372 -0.727 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.787 -0.484 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.376 -2.023 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.731 -1.458 -5.811 1.00 0.00 H new ATOM 613 N ALA A 41 -6.764 -1.795 -10.792 1.00 0.00 N ATOM 614 CA ALA A 41 -6.755 -2.287 -12.161 1.00 0.00 C ATOM 615 C ALA A 41 -5.591 -3.239 -12.387 1.00 0.00 C ATOM 616 O ALA A 41 -5.751 -4.319 -12.952 1.00 0.00 O ATOM 617 CB ALA A 41 -6.675 -1.123 -13.135 1.00 0.00 C ATOM 0 H ALA A 41 -6.625 -0.788 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.682 -2.833 -12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.669 -1.503 -14.157 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.538 -0.472 -12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.761 -0.558 -12.953 1.00 0.00 H new ATOM 623 N ALA A 42 -4.423 -2.816 -11.942 1.00 0.00 N ATOM 624 CA ALA A 42 -3.206 -3.605 -12.084 1.00 0.00 C ATOM 625 C ALA A 42 -3.238 -4.852 -11.206 1.00 0.00 C ATOM 626 O ALA A 42 -2.808 -5.926 -11.625 1.00 0.00 O ATOM 627 CB ALA A 42 -1.992 -2.752 -11.750 1.00 0.00 C ATOM 0 H ALA A 42 -4.287 -1.920 -11.473 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.139 -3.936 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.087 -3.349 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.948 -1.900 -12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.070 -2.395 -10.723 1.00 0.00 H new ATOM 633 N LEU A 43 -3.741 -4.705 -9.983 1.00 0.00 N ATOM 634 CA LEU A 43 -3.817 -5.825 -9.051 1.00 0.00 C ATOM 635 C LEU A 43 -4.654 -6.963 -9.626 1.00 0.00 C ATOM 636 O LEU A 43 -4.468 -8.128 -9.272 1.00 0.00 O ATOM 637 CB LEU A 43 -4.409 -5.379 -7.713 1.00 0.00 C ATOM 638 CG LEU A 43 -3.418 -4.748 -6.739 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.154 -4.004 -5.636 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.526 -5.823 -6.150 1.00 0.00 C ATOM 0 H LEU A 43 -4.101 -3.824 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.801 -6.185 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.207 -4.663 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.867 -6.243 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.800 -4.030 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.431 -3.561 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.768 -3.217 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.791 -4.700 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.820 -5.369 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.138 -6.553 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.979 -6.320 -6.951 1.00 0.00 H new ATOM 652 N ALA A 44 -5.580 -6.615 -10.512 1.00 0.00 N ATOM 653 CA ALA A 44 -6.455 -7.599 -11.139 1.00 0.00 C ATOM 654 C ALA A 44 -5.658 -8.683 -11.859 1.00 0.00 C ATOM 655 O ALA A 44 -6.168 -9.773 -12.117 1.00 0.00 O ATOM 656 CB ALA A 44 -7.404 -6.914 -12.109 1.00 0.00 C ATOM 0 H ALA A 44 -5.745 -5.655 -10.813 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.033 -8.080 -10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.052 -7.659 -12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.012 -6.187 -11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.829 -6.404 -12.882 1.00 0.00 H new ATOM 662 N SER A 45 -4.409 -8.379 -12.186 1.00 0.00 N ATOM 663 CA SER A 45 -3.552 -9.324 -12.877 1.00 0.00 C ATOM 664 C SER A 45 -2.258 -9.584 -12.104 1.00 0.00 C ATOM 665 O SER A 45 -1.400 -10.340 -12.559 1.00 0.00 O ATOM 666 CB SER A 45 -3.229 -8.816 -14.284 1.00 0.00 C ATOM 667 OG SER A 45 -3.872 -9.604 -15.271 1.00 0.00 O ATOM 0 H SER A 45 -3.969 -7.482 -11.982 1.00 0.00 H new ATOM 0 HA SER A 45 -4.093 -10.267 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.545 -7.777 -14.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.151 -8.837 -14.443 1.00 0.00 H new ATOM 0 HG SER A 45 -3.651 -9.258 -16.161 1.00 0.00 H new ATOM 673 N LYS A 46 -2.117 -8.955 -10.939 1.00 0.00 N ATOM 674 CA LYS A 46 -0.924 -9.128 -10.128 1.00 0.00 C ATOM 675 C LYS A 46 -1.199 -8.820 -8.658 1.00 0.00 C ATOM 676 O LYS A 46 -2.162 -8.133 -8.323 1.00 0.00 O ATOM 677 CB LYS A 46 0.202 -8.235 -10.642 1.00 0.00 C ATOM 678 CG LYS A 46 1.560 -8.917 -10.650 1.00 0.00 C ATOM 679 CD LYS A 46 2.540 -8.209 -9.729 1.00 0.00 C ATOM 680 CE LYS A 46 3.135 -9.159 -8.705 1.00 0.00 C ATOM 681 NZ LYS A 46 3.537 -8.443 -7.464 1.00 0.00 N ATOM 0 H LYS A 46 -2.813 -8.325 -10.541 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.620 -10.172 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.037 -7.908 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.257 -7.340 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.449 -9.955 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.957 -8.930 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.340 -7.765 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.032 -7.392 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.408 -9.933 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.002 -9.661 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.263 -9.007 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.567 -8.303 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.062 -7.519 -7.427 1.00 0.00 H new ATOM 695 N THR A 47 -0.341 -9.336 -7.787 1.00 0.00 N ATOM 696 CA THR A 47 -0.476 -9.125 -6.355 1.00 0.00 C ATOM 697 C THR A 47 0.885 -8.876 -5.702 1.00 0.00 C ATOM 698 O THR A 47 1.722 -9.777 -5.653 1.00 0.00 O ATOM 699 CB THR A 47 -1.154 -10.336 -5.706 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.433 -10.560 -6.272 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.330 -10.193 -4.209 1.00 0.00 C ATOM 0 H THR A 47 0.461 -9.908 -8.052 1.00 0.00 H new ATOM 0 HA THR A 47 -1.094 -8.240 -6.201 1.00 0.00 H new ATOM 0 HB THR A 47 -0.487 -11.177 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.848 -11.338 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.816 -11.085 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.355 -10.072 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.946 -9.319 -3.997 1.00 0.00 H new ATOM 709 N PRO A 48 1.135 -7.659 -5.183 1.00 0.00 N ATOM 710 CA PRO A 48 2.406 -7.339 -4.533 1.00 0.00 C ATOM 711 C PRO A 48 2.477 -7.916 -3.122 1.00 0.00 C ATOM 712 O PRO A 48 1.449 -8.128 -2.479 1.00 0.00 O ATOM 713 CB PRO A 48 2.400 -5.812 -4.492 1.00 0.00 C ATOM 714 CG PRO A 48 0.959 -5.448 -4.407 1.00 0.00 C ATOM 715 CD PRO A 48 0.212 -6.504 -5.182 1.00 0.00 C ATOM 0 HA PRO A 48 3.264 -7.757 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.956 -5.436 -3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.865 -5.389 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.626 -5.418 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.782 -4.458 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.738 -6.751 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.014 -6.172 -6.195 1.00 0.00 H new ATOM 723 N ASP A 49 3.689 -8.173 -2.644 1.00 0.00 N ATOM 724 CA ASP A 49 3.873 -8.727 -1.307 1.00 0.00 C ATOM 725 C ASP A 49 3.613 -7.669 -0.239 1.00 0.00 C ATOM 726 O ASP A 49 3.246 -7.990 0.892 1.00 0.00 O ATOM 727 CB ASP A 49 5.286 -9.295 -1.156 1.00 0.00 C ATOM 728 CG ASP A 49 5.534 -10.476 -2.076 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.624 -11.321 -2.217 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.636 -10.555 -2.657 1.00 0.00 O ATOM 0 H ASP A 49 4.554 -8.008 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 49 3.153 -9.534 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.014 -8.512 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.443 -9.603 -0.122 1.00 0.00 H new ATOM 735 N VAL A 50 3.805 -6.407 -0.606 1.00 0.00 N ATOM 736 CA VAL A 50 3.592 -5.294 0.313 1.00 0.00 C ATOM 737 C VAL A 50 3.064 -4.073 -0.439 1.00 0.00 C ATOM 738 O VAL A 50 3.839 -3.300 -1.000 1.00 0.00 O ATOM 739 CB VAL A 50 4.902 -4.926 1.038 1.00 0.00 C ATOM 740 CG1 VAL A 50 6.002 -4.634 0.029 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.694 -3.745 1.977 1.00 0.00 C ATOM 0 H VAL A 50 4.109 -6.128 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 50 2.854 -5.606 1.052 1.00 0.00 H new ATOM 0 HB VAL A 50 5.210 -5.779 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.920 -4.376 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.174 -5.516 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.702 -3.800 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.634 -3.507 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.357 -2.880 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.942 -4.002 2.723 1.00 0.00 H new ATOM 751 N LEU A 51 1.743 -3.910 -0.459 1.00 0.00 N ATOM 752 CA LEU A 51 1.127 -2.785 -1.161 1.00 0.00 C ATOM 753 C LEU A 51 1.040 -1.538 -0.285 1.00 0.00 C ATOM 754 O LEU A 51 0.926 -1.621 0.938 1.00 0.00 O ATOM 755 CB LEU A 51 -0.274 -3.155 -1.660 1.00 0.00 C ATOM 756 CG LEU A 51 -1.043 -2.008 -2.318 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.360 -1.591 -3.604 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.483 -2.410 -2.585 1.00 0.00 C ATOM 0 H LEU A 51 1.082 -4.537 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 51 1.769 -2.558 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.186 -3.972 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.857 -3.530 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.049 -1.159 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.917 -0.774 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.656 -1.261 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.327 -2.438 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.012 -1.580 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.502 -3.274 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.970 -2.666 -1.644 1.00 0.00 H new ATOM 770 N LEU A 52 1.075 -0.383 -0.942 1.00 0.00 N ATOM 771 CA LEU A 52 0.981 0.907 -0.273 1.00 0.00 C ATOM 772 C LEU A 52 -0.030 1.776 -1.015 1.00 0.00 C ATOM 773 O LEU A 52 0.196 2.124 -2.168 1.00 0.00 O ATOM 774 CB LEU A 52 2.345 1.591 -0.285 1.00 0.00 C ATOM 775 CG LEU A 52 3.317 1.168 0.810 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.755 1.332 0.332 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.073 1.977 2.073 1.00 0.00 C ATOM 0 H LEU A 52 1.170 -0.317 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 52 0.661 0.764 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.814 1.404 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.190 2.667 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 52 3.151 0.116 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.439 1.026 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.919 0.711 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.937 2.376 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.774 1.664 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.216 3.036 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.053 1.812 2.420 1.00 0.00 H new ATOM 789 N SER A 53 -1.151 2.102 -0.372 1.00 0.00 N ATOM 790 CA SER A 53 -2.191 2.898 -1.022 1.00 0.00 C ATOM 791 C SER A 53 -2.385 4.271 -0.393 1.00 0.00 C ATOM 792 O SER A 53 -2.204 4.455 0.805 1.00 0.00 O ATOM 793 CB SER A 53 -3.516 2.140 -0.985 1.00 0.00 C ATOM 794 OG SER A 53 -3.676 1.343 -2.145 1.00 0.00 O ATOM 0 H SER A 53 -1.361 1.830 0.589 1.00 0.00 H new ATOM 0 HA SER A 53 -1.861 3.060 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.553 1.509 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.342 2.847 -0.908 1.00 0.00 H new ATOM 0 HG SER A 53 -3.981 0.448 -1.887 1.00 0.00 H new ATOM 800 N ASP A 54 -2.796 5.226 -1.226 1.00 0.00 N ATOM 801 CA ASP A 54 -3.063 6.582 -0.767 1.00 0.00 C ATOM 802 C ASP A 54 -4.414 6.630 -0.076 1.00 0.00 C ATOM 803 O ASP A 54 -5.154 5.647 -0.075 1.00 0.00 O ATOM 804 CB ASP A 54 -3.047 7.568 -1.940 1.00 0.00 C ATOM 805 CG ASP A 54 -2.904 9.006 -1.481 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.298 9.234 -0.409 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.398 9.907 -2.192 1.00 0.00 O ATOM 0 H ASP A 54 -2.951 5.082 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.281 6.870 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.224 7.319 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.968 7.462 -2.514 1.00 0.00 H new ATOM 812 N ILE A 55 -4.733 7.771 0.512 1.00 0.00 N ATOM 813 CA ILE A 55 -5.992 7.933 1.201 1.00 0.00 C ATOM 814 C ILE A 55 -6.528 9.352 1.042 1.00 0.00 C ATOM 815 O ILE A 55 -6.484 10.154 1.974 1.00 0.00 O ATOM 816 CB ILE A 55 -5.843 7.569 2.690 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.061 8.018 3.506 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.565 8.168 3.258 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.524 6.983 4.508 1.00 0.00 C ATOM 0 H ILE A 55 -4.134 8.596 0.523 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.714 7.252 0.750 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.783 6.483 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.817 8.940 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.881 8.247 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.475 7.901 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.706 7.779 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.597 9.253 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.389 7.364 5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.799 6.067 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.718 6.771 5.211 1.00 0.00 H new ATOM 831 N ARG A 56 -7.036 9.648 -0.152 1.00 0.00 N ATOM 832 CA ARG A 56 -7.589 10.963 -0.452 1.00 0.00 C ATOM 833 C ARG A 56 -8.013 11.049 -1.917 1.00 0.00 C ATOM 834 O ARG A 56 -7.495 11.872 -2.672 1.00 0.00 O ATOM 835 CB ARG A 56 -6.568 12.064 -0.141 1.00 0.00 C ATOM 836 CG ARG A 56 -7.178 13.455 -0.067 1.00 0.00 C ATOM 837 CD ARG A 56 -6.463 14.329 0.953 1.00 0.00 C ATOM 838 NE ARG A 56 -7.234 15.526 1.288 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.074 16.709 0.695 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.189 16.862 -0.283 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.810 17.744 1.076 1.00 0.00 N ATOM 0 H ARG A 56 -7.075 8.990 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.467 11.109 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.081 11.839 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.793 12.056 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.129 13.927 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.233 13.376 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.279 13.752 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.490 14.623 0.559 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.939 15.451 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.623 16.070 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.075 17.772 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.497 17.634 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.689 18.650 0.623 1.00 0.00 H new ATOM 855 N MET A 57 -8.957 10.198 -2.318 1.00 0.00 N ATOM 856 CA MET A 57 -9.434 10.200 -3.698 1.00 0.00 C ATOM 857 C MET A 57 -10.768 9.457 -3.844 1.00 0.00 C ATOM 858 O MET A 57 -11.770 10.059 -4.225 1.00 0.00 O ATOM 859 CB MET A 57 -8.375 9.598 -4.631 1.00 0.00 C ATOM 860 CG MET A 57 -8.790 9.572 -6.093 1.00 0.00 C ATOM 861 SD MET A 57 -9.753 8.108 -6.519 1.00 0.00 S ATOM 862 CE MET A 57 -11.225 8.867 -7.199 1.00 0.00 C ATOM 0 H MET A 57 -9.401 9.507 -1.714 1.00 0.00 H new ATOM 0 HA MET A 57 -9.608 11.237 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.452 10.170 -4.535 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.155 8.581 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.375 10.464 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.899 9.611 -6.720 1.00 0.00 H new ATOM 0 HE1 MET A 57 -12.077 8.204 -7.052 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.411 9.815 -6.695 1.00 0.00 H new ATOM 0 HE3 MET A 57 -11.083 9.045 -8.265 1.00 0.00 H new ATOM 872 N PRO A 58 -10.806 8.139 -3.555 1.00 0.00 N ATOM 873 CA PRO A 58 -12.036 7.337 -3.674 1.00 0.00 C ATOM 874 C PRO A 58 -13.173 7.850 -2.794 1.00 0.00 C ATOM 875 O PRO A 58 -13.056 8.895 -2.153 1.00 0.00 O ATOM 876 CB PRO A 58 -11.602 5.937 -3.215 1.00 0.00 C ATOM 877 CG PRO A 58 -10.347 6.156 -2.443 1.00 0.00 C ATOM 878 CD PRO A 58 -9.669 7.320 -3.102 1.00 0.00 C ATOM 0 HA PRO A 58 -12.432 7.370 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.369 5.469 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.432 5.278 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.562 6.369 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.713 5.269 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.029 7.864 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.039 7.005 -3.934 1.00 0.00 H new ATOM 886 N GLY A 59 -14.277 7.100 -2.770 1.00 0.00 N ATOM 887 CA GLY A 59 -15.428 7.482 -1.968 1.00 0.00 C ATOM 888 C GLY A 59 -15.067 7.744 -0.520 1.00 0.00 C ATOM 889 O GLY A 59 -15.047 8.892 -0.079 1.00 0.00 O ATOM 0 H GLY A 59 -14.393 6.233 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.882 8.377 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.177 6.692 -2.015 1.00 0.00 H new ATOM 893 N MET A 60 -14.772 6.679 0.222 1.00 0.00 N ATOM 894 CA MET A 60 -14.397 6.806 1.630 1.00 0.00 C ATOM 895 C MET A 60 -13.000 7.403 1.756 1.00 0.00 C ATOM 896 O MET A 60 -12.110 6.808 2.369 1.00 0.00 O ATOM 897 CB MET A 60 -14.435 5.443 2.320 1.00 0.00 C ATOM 898 CG MET A 60 -15.835 4.879 2.479 1.00 0.00 C ATOM 899 SD MET A 60 -16.120 4.165 4.110 1.00 0.00 S ATOM 900 CE MET A 60 -17.845 4.573 4.358 1.00 0.00 C ATOM 0 H MET A 60 -14.785 5.720 -0.126 1.00 0.00 H new ATOM 0 HA MET A 60 -15.114 7.469 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.832 4.739 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.974 5.531 3.304 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.563 5.671 2.302 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.003 4.116 1.719 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.172 4.197 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.971 5.655 4.327 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.444 4.115 3.571 1.00 0.00 H new ATOM 910 N ASP A 61 -12.818 8.580 1.163 1.00 0.00 N ATOM 911 CA ASP A 61 -11.535 9.272 1.188 1.00 0.00 C ATOM 912 C ASP A 61 -10.423 8.372 0.661 1.00 0.00 C ATOM 913 O ASP A 61 -9.984 8.510 -0.480 1.00 0.00 O ATOM 914 CB ASP A 61 -11.205 9.741 2.606 1.00 0.00 C ATOM 915 CG ASP A 61 -11.339 11.241 2.757 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.023 11.965 1.789 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.758 11.694 3.843 1.00 0.00 O ATOM 0 H ASP A 61 -13.550 9.077 0.656 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.610 10.144 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.869 9.245 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.188 9.441 2.859 1.00 0.00 H new ATOM 922 N GLY A 62 -9.976 7.451 1.500 1.00 0.00 N ATOM 923 CA GLY A 62 -8.925 6.537 1.110 1.00 0.00 C ATOM 924 C GLY A 62 -9.208 5.120 1.534 1.00 0.00 C ATOM 925 O GLY A 62 -8.926 4.177 0.799 1.00 0.00 O ATOM 0 H GLY A 62 -10.325 7.320 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.801 6.571 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.982 6.863 1.549 1.00 0.00 H new ATOM 929 N LEU A 63 -9.766 4.965 2.724 1.00 0.00 N ATOM 930 CA LEU A 63 -10.083 3.644 3.235 1.00 0.00 C ATOM 931 C LEU A 63 -10.896 2.858 2.214 1.00 0.00 C ATOM 932 O LEU A 63 -10.859 1.627 2.190 1.00 0.00 O ATOM 933 CB LEU A 63 -10.820 3.733 4.569 1.00 0.00 C ATOM 934 CG LEU A 63 -10.266 4.777 5.538 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.977 6.114 5.371 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.362 4.274 6.964 1.00 0.00 C ATOM 0 H LEU A 63 -10.007 5.733 3.350 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.147 3.113 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.869 3.958 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.788 2.756 5.052 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.214 4.939 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.562 6.837 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.837 6.476 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.042 5.987 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.964 5.028 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.405 4.078 7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.786 3.354 7.065 1.00 0.00 H new ATOM 948 N ALA A 64 -11.607 3.575 1.348 1.00 0.00 N ATOM 949 CA ALA A 64 -12.389 2.931 0.307 1.00 0.00 C ATOM 950 C ALA A 64 -11.469 2.085 -0.566 1.00 0.00 C ATOM 951 O ALA A 64 -11.856 1.023 -1.051 1.00 0.00 O ATOM 952 CB ALA A 64 -13.124 3.968 -0.530 1.00 0.00 C ATOM 0 H ALA A 64 -11.655 4.594 1.349 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.136 2.285 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.704 3.466 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.794 4.543 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.401 4.638 -0.995 1.00 0.00 H new ATOM 958 N LEU A 65 -10.231 2.559 -0.736 1.00 0.00 N ATOM 959 CA LEU A 65 -9.234 1.841 -1.524 1.00 0.00 C ATOM 960 C LEU A 65 -9.160 0.393 -1.069 1.00 0.00 C ATOM 961 O LEU A 65 -9.134 -0.528 -1.880 1.00 0.00 O ATOM 962 CB LEU A 65 -7.857 2.490 -1.383 1.00 0.00 C ATOM 963 CG LEU A 65 -7.124 2.746 -2.697 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.972 3.714 -2.478 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.624 1.441 -3.303 1.00 0.00 C ATOM 0 H LEU A 65 -9.899 3.437 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.533 1.882 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.972 3.438 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.234 1.852 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.825 3.195 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.458 3.888 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.358 4.659 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.273 3.290 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.105 1.650 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.938 0.956 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.470 0.782 -3.497 1.00 0.00 H new ATOM 977 N LEU A 66 -9.144 0.207 0.245 1.00 0.00 N ATOM 978 CA LEU A 66 -9.089 -1.125 0.827 1.00 0.00 C ATOM 979 C LEU A 66 -10.312 -1.918 0.395 1.00 0.00 C ATOM 980 O LEU A 66 -10.218 -3.094 0.044 1.00 0.00 O ATOM 981 CB LEU A 66 -9.018 -1.040 2.353 1.00 0.00 C ATOM 982 CG LEU A 66 -7.725 -0.432 2.909 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.509 -1.148 2.345 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.661 1.054 2.602 1.00 0.00 C ATOM 0 H LEU A 66 -9.168 0.964 0.928 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.191 -1.632 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.862 -0.449 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.136 -2.043 2.764 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.724 -0.560 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.602 -0.701 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.548 -2.202 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.503 -1.055 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.737 1.469 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.687 1.204 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.513 1.557 3.059 1.00 0.00 H new ATOM 996 N LYS A 67 -11.460 -1.250 0.412 1.00 0.00 N ATOM 997 CA LYS A 67 -12.725 -1.864 0.007 1.00 0.00 C ATOM 998 C LYS A 67 -12.566 -2.672 -1.286 1.00 0.00 C ATOM 999 O LYS A 67 -12.792 -3.881 -1.305 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.801 -0.795 -0.185 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.218 -1.336 -0.074 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.007 -1.112 -1.356 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.803 -2.348 -1.748 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.321 -2.941 -3.027 1.00 0.00 N ATOM 0 H LYS A 67 -11.543 -0.276 0.704 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.029 -2.544 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.660 -0.011 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.672 -0.333 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.184 -2.402 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.729 -0.851 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.685 -0.269 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.323 -0.848 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.732 -3.092 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.856 -2.085 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.890 -3.780 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.413 -2.241 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.323 -3.216 -2.928 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.171 -2.000 -2.366 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.981 -2.673 -3.650 1.00 0.00 C ATOM 1020 C GLN A 68 -10.936 -3.774 -3.517 1.00 0.00 C ATOM 1021 O GLN A 68 -11.056 -4.835 -4.129 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.540 -1.682 -4.736 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.349 -0.391 -4.778 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.721 0.700 -3.940 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -10.584 0.571 -3.501 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.459 1.780 -3.713 1.00 0.00 N ATOM 0 H GLN A 68 -11.978 -0.999 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.937 -3.108 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.490 -1.433 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.610 -2.172 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.435 -0.051 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.360 -0.585 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.401 1.844 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.084 2.546 -3.153 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.910 -3.512 -2.713 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.838 -4.474 -2.498 1.00 0.00 C ATOM 1037 C ILE A 69 -9.359 -5.731 -1.817 1.00 0.00 C ATOM 1038 O ILE A 69 -8.994 -6.849 -2.179 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.703 -3.866 -1.647 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.209 -2.558 -2.284 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.559 -4.863 -1.465 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.151 -2.740 -3.356 1.00 0.00 C ATOM 0 H ILE A 69 -9.800 -2.638 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.443 -4.737 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.095 -3.638 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.062 -2.035 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.807 -1.916 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.773 -4.409 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.931 -5.756 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.156 -5.136 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.861 -1.766 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.278 -3.232 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.552 -3.353 -4.163 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.209 -5.533 -0.826 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.786 -6.636 -0.078 1.00 0.00 C ATOM 1056 C LYS A 70 -11.894 -7.330 -0.865 1.00 0.00 C ATOM 1057 O LYS A 70 -12.198 -8.499 -0.624 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.325 -6.136 1.263 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.504 -5.187 1.138 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.006 -4.735 2.501 1.00 0.00 C ATOM 1061 CE LYS A 70 -11.960 -3.909 3.233 1.00 0.00 C ATOM 1062 NZ LYS A 70 -12.324 -2.465 3.289 1.00 0.00 N ATOM 0 H LYS A 70 -10.517 -4.611 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.997 -7.367 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.624 -6.994 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.522 -5.633 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.211 -4.317 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.312 -5.679 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.915 -4.147 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.268 -5.606 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.841 -4.292 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.997 -4.021 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.888 -2.029 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.981 -1.987 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.358 -2.370 3.348 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.501 -6.606 -1.796 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.579 -7.157 -2.599 1.00 0.00 C ATOM 1078 C GLN A 71 -13.042 -7.894 -3.823 1.00 0.00 C ATOM 1079 O GLN A 71 -13.569 -8.936 -4.211 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.553 -6.040 -3.011 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.426 -6.377 -4.215 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.064 -5.576 -5.455 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.793 -5.202 -5.580 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -15.919 -5.293 -6.294 1.00 0.00 N flip ATOM 0 H GLN A 71 -12.264 -5.638 -2.012 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.118 -7.886 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.198 -5.807 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.981 -5.139 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.334 -7.440 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.470 -6.193 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.883 -5.598 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.663 -4.753 -7.121 1.00 0.00 H new ATOM 1093 N ARG A 72 -12.009 -7.337 -4.434 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.413 -7.931 -5.629 1.00 0.00 C ATOM 1095 C ARG A 72 -10.322 -8.930 -5.278 1.00 0.00 C ATOM 1096 O ARG A 72 -10.419 -10.118 -5.588 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.845 -6.840 -6.543 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.741 -6.509 -7.726 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.247 -7.170 -9.002 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.873 -8.471 -9.222 1.00 0.00 N ATOM 1101 CZ ARG A 72 -13.107 -8.629 -9.698 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.847 -7.571 -10.004 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.600 -9.848 -9.872 1.00 0.00 N ATOM 0 H ARG A 72 -11.562 -6.474 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.204 -8.467 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.682 -5.935 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.871 -7.159 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.759 -6.837 -7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.777 -5.429 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.455 -6.519 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.165 -7.292 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.334 -9.307 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.471 -6.631 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.791 -7.697 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.034 -10.665 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.545 -9.969 -10.236 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.277 -8.431 -4.647 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.136 -9.257 -4.259 1.00 0.00 C ATOM 1119 C HIS A 73 -8.422 -10.010 -2.958 1.00 0.00 C ATOM 1120 O HIS A 73 -8.990 -9.447 -2.022 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.886 -8.378 -4.128 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.922 -7.188 -5.039 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.772 -5.872 -4.781 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -7.191 -7.281 -6.389 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.951 -5.200 -5.964 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -7.203 -6.071 -6.919 1.00 0.00 N flip ATOM 0 H HIS A 73 -9.189 -7.449 -4.387 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.959 -10.004 -5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.791 -8.039 -3.096 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.001 -8.975 -4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.365 -8.200 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.894 -4.129 -6.091 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.377 -5.849 -7.899 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.053 -11.306 -2.888 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.294 -12.134 -1.701 1.00 0.00 C ATOM 1137 C PRO A 74 -7.795 -11.492 -0.413 1.00 0.00 C ATOM 1138 O PRO A 74 -8.593 -11.096 0.436 1.00 0.00 O ATOM 1139 CB PRO A 74 -7.521 -13.421 -1.997 1.00 0.00 C ATOM 1140 CG PRO A 74 -7.468 -13.494 -3.483 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.391 -12.070 -3.964 1.00 0.00 C ATOM 0 HA PRO A 74 -9.360 -12.289 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.520 -13.391 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.024 -14.291 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.601 -14.066 -3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.351 -13.993 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.359 -11.750 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.900 -11.941 -4.919 1.00 0.00 H new ATOM 1149 N MET A 75 -6.476 -11.400 -0.263 1.00 0.00 N ATOM 1150 CA MET A 75 -5.894 -10.813 0.937 1.00 0.00 C ATOM 1151 C MET A 75 -4.621 -10.036 0.621 1.00 0.00 C ATOM 1152 O MET A 75 -3.670 -10.043 1.402 1.00 0.00 O ATOM 1153 CB MET A 75 -5.597 -11.907 1.966 1.00 0.00 C ATOM 1154 CG MET A 75 -6.838 -12.643 2.446 1.00 0.00 C ATOM 1155 SD MET A 75 -7.085 -14.215 1.598 1.00 0.00 S ATOM 1156 CE MET A 75 -8.821 -14.513 1.931 1.00 0.00 C ATOM 0 H MET A 75 -5.796 -11.722 -0.952 1.00 0.00 H new ATOM 0 HA MET A 75 -6.620 -10.113 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.904 -12.626 1.530 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.095 -11.461 2.824 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.758 -12.822 3.518 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.713 -12.011 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.124 -15.453 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.980 -14.570 3.008 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.416 -13.698 1.519 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.612 -9.357 -0.521 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.458 -8.564 -0.931 1.00 0.00 C ATOM 1168 C LEU A 76 -3.163 -7.475 0.105 1.00 0.00 C ATOM 1169 O LEU A 76 -3.886 -6.481 0.189 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.721 -7.934 -2.307 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.677 -6.933 -2.815 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -3.037 -5.536 -2.348 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.269 -7.309 -2.373 1.00 0.00 C ATOM 0 H LEU A 76 -5.391 -9.340 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.588 -9.217 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.807 -8.737 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.687 -7.430 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.684 -6.958 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.292 -4.828 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.018 -5.263 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.060 -5.511 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.560 -6.574 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.222 -7.328 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.016 -8.294 -2.764 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.098 -7.644 0.917 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.729 -6.665 1.947 1.00 0.00 C ATOM 1187 C PRO A 77 -1.564 -5.262 1.375 1.00 0.00 C ATOM 1188 O PRO A 77 -0.964 -5.083 0.317 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.389 -7.183 2.492 1.00 0.00 C ATOM 1190 CG PRO A 77 0.072 -8.206 1.510 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.174 -8.788 0.906 1.00 0.00 C ATOM 0 HA PRO A 77 -2.501 -6.577 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.336 -6.374 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.511 -7.618 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.704 -7.756 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.666 -8.978 2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.000 -9.159 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.556 -9.624 1.492 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.106 -4.276 2.084 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.037 -2.882 1.662 1.00 0.00 C ATOM 1201 C VAL A 78 -1.614 -1.985 2.817 1.00 0.00 C ATOM 1202 O VAL A 78 -1.865 -2.293 3.981 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.400 -2.382 1.137 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.216 -1.193 0.204 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.161 -3.504 0.445 1.00 0.00 C ATOM 0 H VAL A 78 -2.603 -4.420 2.963 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.299 -2.833 0.861 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.992 -2.053 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.189 -0.857 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.727 -0.381 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.600 -1.489 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.118 -3.126 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.576 -3.875 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.335 -4.316 1.152 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.981 -0.868 2.486 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.535 0.084 3.493 1.00 0.00 C ATOM 1217 C ILE A 79 -0.942 1.497 3.104 1.00 0.00 C ATOM 1218 O ILE A 79 -0.532 2.007 2.064 1.00 0.00 O ATOM 1219 CB ILE A 79 0.988 0.043 3.682 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.459 -1.380 3.970 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.404 0.983 4.804 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.627 -1.805 3.113 1.00 0.00 C ATOM 0 H ILE A 79 -0.765 -0.599 1.526 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.011 -0.199 4.432 1.00 0.00 H new ATOM 0 HB ILE A 79 1.460 0.375 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.740 -1.457 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.630 -2.069 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.486 0.945 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.103 2.001 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.921 0.678 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.913 -2.826 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.343 -1.759 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.470 -1.137 3.290 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.756 2.123 3.937 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.218 3.470 3.656 1.00 0.00 C ATOM 1236 C ILE A 80 -1.335 4.525 4.320 1.00 0.00 C ATOM 1237 O ILE A 80 -0.835 4.328 5.427 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.683 3.656 4.086 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.524 2.471 3.606 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.234 4.955 3.532 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.516 2.295 2.102 1.00 0.00 C ATOM 0 H ILE A 80 -2.108 1.723 4.807 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.151 3.608 2.577 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.728 3.700 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.152 1.559 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.552 2.605 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.272 5.073 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.644 5.791 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.183 4.937 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.132 1.437 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.916 3.192 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.494 2.129 1.760 1.00 0.00 H new ATOM 1253 N MET A 81 -1.135 5.637 3.613 1.00 0.00 N ATOM 1254 CA MET A 81 -0.289 6.729 4.103 1.00 0.00 C ATOM 1255 C MET A 81 -0.971 7.556 5.190 1.00 0.00 C ATOM 1256 O MET A 81 -0.298 8.246 5.949 1.00 0.00 O ATOM 1257 CB MET A 81 0.151 7.663 2.964 1.00 0.00 C ATOM 1258 CG MET A 81 -0.635 7.512 1.669 1.00 0.00 C ATOM 1259 SD MET A 81 0.014 6.196 0.617 1.00 0.00 S ATOM 1260 CE MET A 81 1.687 6.762 0.346 1.00 0.00 C ATOM 0 H MET A 81 -1.548 5.807 2.696 1.00 0.00 H new ATOM 0 HA MET A 81 0.589 6.248 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.064 8.694 3.306 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.206 7.484 2.754 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.679 7.304 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.613 8.455 1.122 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.145 6.175 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.673 7.813 0.059 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.264 6.644 1.263 1.00 0.00 H new ATOM 1270 N THR A 82 -2.293 7.505 5.264 1.00 0.00 N ATOM 1271 CA THR A 82 -3.014 8.272 6.276 1.00 0.00 C ATOM 1272 C THR A 82 -4.276 7.526 6.710 1.00 0.00 C ATOM 1273 O THR A 82 -4.743 6.633 6.006 1.00 0.00 O ATOM 1274 CB THR A 82 -3.362 9.661 5.730 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.299 10.170 4.939 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.635 10.679 6.816 1.00 0.00 C ATOM 0 H THR A 82 -2.884 6.949 4.646 1.00 0.00 H new ATOM 0 HA THR A 82 -2.375 8.394 7.151 1.00 0.00 H new ATOM 0 HB THR A 82 -4.268 9.519 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.661 10.759 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.875 11.640 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.476 10.345 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.751 10.786 7.445 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.827 7.885 7.868 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.032 7.225 8.363 1.00 0.00 C ATOM 1286 C ALA A 83 -7.066 8.233 8.854 1.00 0.00 C ATOM 1287 O ALA A 83 -7.500 8.184 10.005 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.691 6.233 9.468 1.00 0.00 C ATOM 0 H ALA A 83 -4.463 8.620 8.474 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.470 6.680 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.604 5.754 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.010 5.475 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.214 6.759 10.295 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.471 9.136 7.968 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.469 10.141 8.308 1.00 0.00 C ATOM 1296 C HIS A 84 -9.842 9.702 7.810 1.00 0.00 C ATOM 1297 O HIS A 84 -9.980 8.631 7.220 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.094 11.499 7.701 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.880 11.460 6.220 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.900 11.633 5.307 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.756 11.274 5.491 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.409 11.554 4.083 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.112 11.338 4.168 1.00 0.00 N ATOM 0 H HIS A 84 -7.124 9.192 7.011 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.502 10.246 9.392 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.882 12.217 7.926 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.185 11.862 8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.762 11.106 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.975 11.650 3.168 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.476 11.235 3.378 1.00 0.00 H new ATOM 1312 N SER A 85 -10.856 10.529 8.048 1.00 0.00 N ATOM 1313 CA SER A 85 -12.214 10.211 7.614 1.00 0.00 C ATOM 1314 C SER A 85 -12.740 8.959 8.324 1.00 0.00 C ATOM 1315 O SER A 85 -12.285 8.622 9.416 1.00 0.00 O ATOM 1316 CB SER A 85 -12.242 10.017 6.094 1.00 0.00 C ATOM 1317 OG SER A 85 -13.380 10.639 5.524 1.00 0.00 O ATOM 0 H SER A 85 -10.765 11.420 8.536 1.00 0.00 H new ATOM 0 HA SER A 85 -12.866 11.044 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.336 10.434 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.249 8.953 5.860 1.00 0.00 H new ATOM 0 HG SER A 85 -13.132 11.059 4.674 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.703 8.278 7.698 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.294 7.067 8.269 1.00 0.00 C ATOM 1325 C ASP A 86 -13.239 5.981 8.479 1.00 0.00 C ATOM 1326 O ASP A 86 -13.129 5.054 7.680 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.402 6.544 7.349 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.419 7.612 6.998 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.012 8.668 6.467 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.623 7.392 7.249 1.00 0.00 O ATOM 0 H ASP A 86 -14.090 8.546 6.793 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.716 7.323 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.956 6.157 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.909 5.710 7.834 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.467 6.116 9.556 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.402 5.166 9.887 1.00 0.00 C ATOM 1337 C LEU A 87 -11.899 3.719 9.923 1.00 0.00 C ATOM 1338 O LEU A 87 -11.110 2.782 9.797 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.773 5.534 11.235 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.255 5.741 11.213 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.762 6.228 12.568 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.543 4.454 10.816 1.00 0.00 C ATOM 0 H LEU A 87 -12.560 6.883 10.222 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.654 5.232 9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.243 6.448 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.006 4.748 11.953 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.025 6.503 10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.682 6.369 12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.244 7.175 12.812 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.007 5.489 13.331 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.466 4.622 10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.781 3.670 11.535 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.871 4.148 9.823 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.198 3.538 10.110 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.792 2.209 10.177 1.00 0.00 C ATOM 1356 C ASP A 88 -13.335 1.307 9.033 1.00 0.00 C ATOM 1357 O ASP A 88 -12.911 0.172 9.253 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.311 2.329 10.154 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.806 3.294 9.096 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.736 2.952 7.897 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.266 4.394 9.468 1.00 0.00 O ATOM 0 H ASP A 88 -13.866 4.301 10.219 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.459 1.750 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.746 1.346 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.660 2.659 11.132 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.444 1.813 7.812 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.063 1.050 6.626 1.00 0.00 C ATOM 1368 C ALA A 89 -11.615 0.568 6.696 1.00 0.00 C ATOM 1369 O ALA A 89 -11.235 -0.369 5.996 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.291 1.872 5.364 1.00 0.00 C ATOM 0 H ALA A 89 -13.794 2.751 7.614 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.699 0.166 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.001 1.287 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.345 2.138 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.690 2.780 5.408 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.809 1.204 7.541 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.409 0.818 7.682 1.00 0.00 C ATOM 1378 C ALA A 90 -9.292 -0.531 8.374 1.00 0.00 C ATOM 1379 O ALA A 90 -8.414 -1.332 8.053 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.623 1.870 8.453 1.00 0.00 C ATOM 0 H ALA A 90 -11.098 1.982 8.134 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.985 0.739 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.583 1.555 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.670 2.821 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.053 1.989 9.448 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.185 -0.778 9.327 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.179 -2.034 10.059 1.00 0.00 C ATOM 1388 C VAL A 91 -10.545 -3.194 9.147 1.00 0.00 C ATOM 1389 O VAL A 91 -9.970 -4.278 9.247 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.136 -2.008 11.262 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -10.830 -3.172 12.191 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.033 -0.681 12.004 1.00 0.00 C ATOM 0 H VAL A 91 -10.918 -0.127 9.608 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.165 -2.172 10.434 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.159 -2.109 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.512 -3.148 13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.956 -4.111 11.652 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.803 -3.093 12.547 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.718 -0.684 12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.013 -0.543 12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.294 0.134 11.329 1.00 0.00 H new ATOM 1402 N SER A 92 -11.489 -2.956 8.243 1.00 0.00 N ATOM 1403 CA SER A 92 -11.911 -3.981 7.299 1.00 0.00 C ATOM 1404 C SER A 92 -10.739 -4.403 6.415 1.00 0.00 C ATOM 1405 O SER A 92 -10.767 -5.464 5.791 1.00 0.00 O ATOM 1406 CB SER A 92 -13.059 -3.465 6.436 1.00 0.00 C ATOM 1407 OG SER A 92 -14.020 -2.780 7.221 1.00 0.00 O ATOM 0 H SER A 92 -11.975 -2.064 8.145 1.00 0.00 H new ATOM 0 HA SER A 92 -12.256 -4.849 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.669 -2.797 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.534 -4.300 5.921 1.00 0.00 H new ATOM 0 HG SER A 92 -14.744 -2.458 6.644 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.714 -3.561 6.365 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.528 -3.836 5.574 1.00 0.00 C ATOM 1415 C ALA A 93 -7.637 -4.876 6.244 1.00 0.00 C ATOM 1416 O ALA A 93 -7.317 -5.911 5.665 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.767 -2.549 5.332 1.00 0.00 C ATOM 0 H ALA A 93 -9.684 -2.675 6.869 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.842 -4.251 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.877 -2.759 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.404 -1.845 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.472 -2.116 6.288 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.231 -4.586 7.467 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.364 -5.490 8.224 1.00 0.00 C ATOM 1425 C TYR A 94 -6.964 -6.886 8.302 1.00 0.00 C ATOM 1426 O TYR A 94 -6.245 -7.885 8.318 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.112 -4.967 9.643 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.058 -3.460 9.750 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.123 -2.727 9.037 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.947 -2.773 10.566 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.075 -1.350 9.133 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.905 -1.396 10.667 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.968 -0.689 9.949 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.926 0.684 10.045 1.00 0.00 O ATOM 0 H TYR A 94 -7.485 -3.732 7.963 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.413 -5.538 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.899 -5.338 10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.171 -5.379 10.008 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.421 -3.240 8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.684 -3.325 11.131 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.340 -0.793 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.604 -0.877 11.306 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.828 1.072 9.150 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.283 -6.941 8.358 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.990 -8.212 8.444 1.00 0.00 C ATOM 1446 C GLN A 95 -9.026 -8.918 7.090 1.00 0.00 C ATOM 1447 O GLN A 95 -8.956 -10.145 7.022 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.406 -7.995 8.974 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.283 -7.182 8.044 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.036 -8.038 7.045 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -11.970 -9.265 7.089 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.758 -7.391 6.139 1.00 0.00 N ATOM 0 H GLN A 95 -8.889 -6.121 8.346 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.449 -8.854 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.873 -8.965 9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.351 -7.492 9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.997 -6.609 8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.665 -6.463 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.783 -6.371 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.288 -7.913 5.441 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.134 -8.143 6.014 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.174 -8.716 4.674 1.00 0.00 C ATOM 1463 C GLN A 96 -7.777 -9.125 4.205 1.00 0.00 C ATOM 1464 O GLN A 96 -7.640 -9.928 3.282 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.790 -7.729 3.675 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.947 -6.487 3.446 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.337 -6.428 2.059 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.059 -7.456 1.443 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -8.131 -5.213 1.561 1.00 0.00 N ATOM 0 H GLN A 96 -9.195 -7.125 6.044 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.799 -9.608 4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.940 -8.236 2.722 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.774 -7.428 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.564 -5.602 3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.150 -6.455 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.377 -4.389 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.726 -5.105 0.631 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.742 -8.585 4.849 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.383 -8.932 4.471 1.00 0.00 C ATOM 1480 C GLY A 97 -4.424 -7.754 4.470 1.00 0.00 C ATOM 1481 O GLY A 97 -3.211 -7.943 4.374 1.00 0.00 O ATOM 0 H GLY A 97 -6.820 -7.920 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.009 -9.692 5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.396 -9.378 3.477 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.953 -6.535 4.569 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.107 -5.343 4.567 1.00 0.00 C ATOM 1487 C ALA A 98 -3.037 -5.419 5.656 1.00 0.00 C ATOM 1488 O ALA A 98 -3.201 -6.129 6.648 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.948 -4.087 4.733 1.00 0.00 C ATOM 0 H ALA A 98 -5.952 -6.348 4.651 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.601 -5.297 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.299 -3.211 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.660 -4.015 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.489 -4.133 5.678 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.937 -4.686 5.469 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.850 -4.686 6.441 1.00 0.00 C ATOM 1497 C PHE A 99 -1.167 -3.778 7.625 1.00 0.00 C ATOM 1498 O PHE A 99 -1.104 -4.207 8.777 1.00 0.00 O ATOM 1499 CB PHE A 99 0.464 -4.242 5.788 1.00 0.00 C ATOM 1500 CG PHE A 99 1.639 -4.247 6.733 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.044 -5.419 7.352 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.334 -3.079 7.004 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.121 -5.426 8.220 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.412 -3.080 7.870 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.805 -4.254 8.479 1.00 0.00 C ATOM 0 H PHE A 99 -1.779 -4.089 4.657 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.739 -5.707 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.682 -4.900 4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.338 -3.238 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.512 -6.338 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.030 -2.156 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.427 -6.347 8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.946 -2.163 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.646 -4.257 9.157 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.506 -2.520 7.338 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.831 -1.555 8.389 1.00 0.00 C ATOM 1517 C ASP A 100 -1.992 -0.145 7.825 1.00 0.00 C ATOM 1518 O ASP A 100 -2.161 0.041 6.620 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.748 -1.562 9.478 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.327 -1.710 10.871 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.478 -2.183 10.990 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.631 -1.351 11.842 1.00 0.00 O ATOM 0 H ASP A 100 -1.562 -2.147 6.390 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.783 -1.855 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.052 -2.379 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.175 -0.636 9.422 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.938 0.845 8.715 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.076 2.244 8.328 1.00 0.00 C ATOM 1529 C TYR A 101 -0.885 3.053 8.836 1.00 0.00 C ATOM 1530 O TYR A 101 -0.611 3.086 10.035 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.379 2.823 8.891 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.520 2.867 7.895 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.184 1.708 7.514 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.941 4.073 7.346 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.233 1.749 6.613 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.988 4.122 6.444 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.632 2.956 6.082 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.677 2.996 5.187 1.00 0.00 O ATOM 0 H TYR A 101 -1.799 0.700 9.715 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.104 2.302 7.240 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.686 2.229 9.752 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.188 3.833 9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.876 0.759 7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.441 4.988 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.737 0.838 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.300 5.067 6.025 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.440 2.500 5.552 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.182 3.702 7.916 1.00 0.00 N ATOM 1549 CA LEU A 102 0.981 4.512 8.269 1.00 0.00 C ATOM 1550 C LEU A 102 0.614 5.991 8.261 1.00 0.00 C ATOM 1551 O LEU A 102 -0.134 6.437 7.400 1.00 0.00 O ATOM 1552 CB LEU A 102 2.124 4.241 7.280 1.00 0.00 C ATOM 1553 CG LEU A 102 3.353 5.147 7.416 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.398 4.500 8.314 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.945 5.453 6.043 1.00 0.00 C ATOM 0 H LEU A 102 -0.396 3.684 6.919 1.00 0.00 H new ATOM 0 HA LEU A 102 1.311 4.242 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.444 3.206 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.734 4.340 6.267 1.00 0.00 H new ATOM 0 HG LEU A 102 3.039 6.085 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.263 5.158 8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.973 4.331 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.708 3.547 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.817 6.097 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.243 4.523 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.199 5.958 5.429 1.00 0.00 H new ATOM 1567 N PRO A 103 1.132 6.776 9.223 1.00 0.00 N ATOM 1568 CA PRO A 103 0.848 8.214 9.310 1.00 0.00 C ATOM 1569 C PRO A 103 1.177 8.928 8.001 1.00 0.00 C ATOM 1570 O PRO A 103 1.864 8.370 7.147 1.00 0.00 O ATOM 1571 CB PRO A 103 1.749 8.696 10.461 1.00 0.00 C ATOM 1572 CG PRO A 103 2.738 7.599 10.671 1.00 0.00 C ATOM 1573 CD PRO A 103 2.030 6.332 10.296 1.00 0.00 C ATOM 0 HA PRO A 103 -0.206 8.425 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.247 9.631 10.206 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.168 8.881 11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.624 7.749 10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.073 7.568 11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.725 5.565 9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.480 5.910 11.137 1.00 0.00 H new ATOM 1581 N LYS A 104 0.661 10.151 7.830 1.00 0.00 N ATOM 1582 CA LYS A 104 0.882 10.916 6.595 1.00 0.00 C ATOM 1583 C LYS A 104 2.319 10.792 6.081 1.00 0.00 C ATOM 1584 O LYS A 104 2.530 10.567 4.889 1.00 0.00 O ATOM 1585 CB LYS A 104 0.518 12.391 6.774 1.00 0.00 C ATOM 1586 CG LYS A 104 0.604 13.188 5.476 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.246 12.567 4.371 1.00 0.00 C ATOM 1588 CE LYS A 104 0.566 12.281 3.112 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.071 11.222 2.271 1.00 0.00 N ATOM 0 H LYS A 104 0.091 10.631 8.526 1.00 0.00 H new ATOM 0 HA LYS A 104 0.220 10.480 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.494 12.464 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.184 12.837 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.275 14.211 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.643 13.240 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.690 11.640 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.068 13.239 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.668 13.196 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.572 11.968 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.666 10.605 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.718 10.656 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.605 11.667 1.497 1.00 0.00 H new ATOM 1603 N PRO A 105 3.334 10.925 6.959 1.00 0.00 N ATOM 1604 CA PRO A 105 4.732 10.807 6.540 1.00 0.00 C ATOM 1605 C PRO A 105 4.930 9.573 5.669 1.00 0.00 C ATOM 1606 O PRO A 105 4.064 8.700 5.628 1.00 0.00 O ATOM 1607 CB PRO A 105 5.482 10.672 7.865 1.00 0.00 C ATOM 1608 CG PRO A 105 4.634 11.404 8.847 1.00 0.00 C ATOM 1609 CD PRO A 105 3.209 11.197 8.403 1.00 0.00 C ATOM 0 HA PRO A 105 5.076 11.650 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.605 9.626 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.481 11.104 7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.787 11.022 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.886 12.464 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.742 10.365 8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.597 12.079 8.594 1.00 0.00 H new ATOM 1617 N PHE A 106 6.040 9.508 4.945 1.00 0.00 N ATOM 1618 CA PHE A 106 6.276 8.378 4.058 1.00 0.00 C ATOM 1619 C PHE A 106 7.731 8.317 3.594 1.00 0.00 C ATOM 1620 O PHE A 106 8.564 7.716 4.267 1.00 0.00 O ATOM 1621 CB PHE A 106 5.318 8.468 2.867 1.00 0.00 C ATOM 1622 CG PHE A 106 5.046 7.154 2.199 1.00 0.00 C ATOM 1623 CD1 PHE A 106 4.023 6.339 2.651 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.801 6.740 1.114 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.757 5.136 2.033 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.543 5.536 0.493 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.518 4.731 0.951 1.00 0.00 C ATOM 0 H PHE A 106 6.779 10.211 4.953 1.00 0.00 H new ATOM 0 HA PHE A 106 6.085 7.455 4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.373 8.893 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.733 9.158 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.427 6.649 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.601 7.367 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.954 4.510 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.141 5.223 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.311 3.788 0.466 1.00 0.00 H new ATOM 1637 N ASP A 107 8.045 8.933 2.449 1.00 0.00 N ATOM 1638 CA ASP A 107 9.410 8.929 1.919 1.00 0.00 C ATOM 1639 C ASP A 107 10.073 7.562 2.108 1.00 0.00 C ATOM 1640 O ASP A 107 9.433 6.609 2.532 1.00 0.00 O ATOM 1641 CB ASP A 107 10.243 10.034 2.575 1.00 0.00 C ATOM 1642 CG ASP A 107 9.810 10.336 3.999 1.00 0.00 C ATOM 1643 OD1 ASP A 107 10.080 9.506 4.891 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.195 11.402 4.219 1.00 0.00 O ATOM 0 H ASP A 107 7.372 9.440 1.873 1.00 0.00 H new ATOM 0 HA ASP A 107 9.358 9.127 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.292 9.739 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.167 10.942 1.977 1.00 0.00 H new ATOM 1649 N ILE A 108 11.352 7.462 1.779 1.00 0.00 N ATOM 1650 CA ILE A 108 12.058 6.194 1.908 1.00 0.00 C ATOM 1651 C ILE A 108 12.231 5.790 3.359 1.00 0.00 C ATOM 1652 O ILE A 108 11.901 4.671 3.750 1.00 0.00 O ATOM 1653 CB ILE A 108 13.415 6.242 1.175 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.222 5.801 -0.270 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.480 5.388 1.856 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.990 6.401 -0.911 1.00 0.00 C ATOM 0 H ILE A 108 11.918 8.233 1.425 1.00 0.00 H new ATOM 0 HA ILE A 108 11.444 5.428 1.433 1.00 0.00 H new ATOM 0 HB ILE A 108 13.775 7.270 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.101 6.082 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.151 4.714 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.414 5.458 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.637 5.745 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.151 4.349 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.907 6.049 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.105 6.098 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.069 7.488 -0.905 1.00 0.00 H new ATOM 1668 N ASP A 109 12.755 6.693 4.149 1.00 0.00 N ATOM 1669 CA ASP A 109 12.983 6.428 5.554 1.00 0.00 C ATOM 1670 C ASP A 109 11.743 5.838 6.234 1.00 0.00 C ATOM 1671 O ASP A 109 11.818 4.777 6.847 1.00 0.00 O ATOM 1672 CB ASP A 109 13.405 7.717 6.249 1.00 0.00 C ATOM 1673 CG ASP A 109 12.549 8.900 5.841 1.00 0.00 C ATOM 1674 OD1 ASP A 109 12.544 9.240 4.639 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.882 9.483 6.721 1.00 0.00 O ATOM 0 H ASP A 109 13.035 7.625 3.844 1.00 0.00 H new ATOM 0 HA ASP A 109 13.778 5.686 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.342 7.582 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.448 7.929 6.014 1.00 0.00 H new ATOM 1680 N GLU A 110 10.615 6.539 6.150 1.00 0.00 N ATOM 1681 CA GLU A 110 9.386 6.088 6.790 1.00 0.00 C ATOM 1682 C GLU A 110 8.696 4.956 6.031 1.00 0.00 C ATOM 1683 O GLU A 110 8.039 4.113 6.645 1.00 0.00 O ATOM 1684 CB GLU A 110 8.415 7.259 6.979 1.00 0.00 C ATOM 1685 CG GLU A 110 9.021 8.453 7.696 1.00 0.00 C ATOM 1686 CD GLU A 110 8.721 8.454 9.181 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.671 7.902 9.574 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.534 9.005 9.953 1.00 0.00 O ATOM 0 H GLU A 110 10.528 7.421 5.645 1.00 0.00 H new ATOM 0 HA GLU A 110 9.675 5.690 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.054 7.580 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.548 6.912 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.101 8.452 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.639 9.372 7.251 1.00 0.00 H new ATOM 1695 N ALA A 111 8.834 4.925 4.712 1.00 0.00 N ATOM 1696 CA ALA A 111 8.195 3.874 3.931 1.00 0.00 C ATOM 1697 C ALA A 111 9.020 2.600 3.960 1.00 0.00 C ATOM 1698 O ALA A 111 8.544 1.550 4.393 1.00 0.00 O ATOM 1699 CB ALA A 111 7.942 4.317 2.501 1.00 0.00 C ATOM 0 H ALA A 111 9.371 5.601 4.169 1.00 0.00 H new ATOM 0 HA ALA A 111 7.228 3.668 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.465 3.508 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.290 5.191 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.889 4.571 2.026 1.00 0.00 H new ATOM 1705 N VAL A 112 10.266 2.692 3.507 1.00 0.00 N ATOM 1706 CA VAL A 112 11.143 1.534 3.504 1.00 0.00 C ATOM 1707 C VAL A 112 11.193 0.909 4.890 1.00 0.00 C ATOM 1708 O VAL A 112 11.339 -0.302 5.048 1.00 0.00 O ATOM 1709 CB VAL A 112 12.565 1.888 3.059 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.405 0.624 2.957 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.533 2.629 1.734 1.00 0.00 C ATOM 0 H VAL A 112 10.685 3.547 3.142 1.00 0.00 H new ATOM 0 HA VAL A 112 10.731 0.823 2.787 1.00 0.00 H new ATOM 0 HB VAL A 112 13.019 2.544 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.415 0.883 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.444 0.134 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.958 -0.052 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.550 2.874 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.070 1.998 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.956 3.547 1.844 1.00 0.00 H new ATOM 1721 N ALA A 113 11.048 1.754 5.894 1.00 0.00 N ATOM 1722 CA ALA A 113 11.044 1.307 7.274 1.00 0.00 C ATOM 1723 C ALA A 113 9.898 0.334 7.500 1.00 0.00 C ATOM 1724 O ALA A 113 10.073 -0.753 8.052 1.00 0.00 O ATOM 1725 CB ALA A 113 10.878 2.500 8.195 1.00 0.00 C ATOM 0 H ALA A 113 10.931 2.761 5.778 1.00 0.00 H new ATOM 0 HA ALA A 113 11.989 0.808 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.875 2.162 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.703 3.195 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.936 3.002 7.974 1.00 0.00 H new ATOM 1731 N LEU A 114 8.719 0.762 7.082 1.00 0.00 N ATOM 1732 CA LEU A 114 7.509 -0.023 7.239 1.00 0.00 C ATOM 1733 C LEU A 114 7.401 -1.159 6.224 1.00 0.00 C ATOM 1734 O LEU A 114 6.655 -2.112 6.443 1.00 0.00 O ATOM 1735 CB LEU A 114 6.288 0.886 7.127 1.00 0.00 C ATOM 1736 CG LEU A 114 4.944 0.204 7.371 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.558 0.277 8.842 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.869 0.830 6.502 1.00 0.00 C ATOM 0 H LEU A 114 8.575 1.662 6.625 1.00 0.00 H new ATOM 0 HA LEU A 114 7.552 -0.482 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.397 1.703 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.276 1.331 6.132 1.00 0.00 H new ATOM 0 HG LEU A 114 5.039 -0.848 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.597 -0.215 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.318 -0.222 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.482 1.321 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.917 0.333 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.778 1.889 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.139 0.718 5.452 1.00 0.00 H new ATOM 1750 N VAL A 115 8.121 -1.065 5.112 1.00 0.00 N ATOM 1751 CA VAL A 115 8.043 -2.114 4.095 1.00 0.00 C ATOM 1752 C VAL A 115 8.853 -3.345 4.483 1.00 0.00 C ATOM 1753 O VAL A 115 8.359 -4.471 4.409 1.00 0.00 O ATOM 1754 CB VAL A 115 8.488 -1.633 2.696 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.994 -1.438 2.630 1.00 0.00 C ATOM 1756 CG2 VAL A 115 8.034 -2.623 1.635 1.00 0.00 C ATOM 0 H VAL A 115 8.752 -0.294 4.892 1.00 0.00 H new ATOM 0 HA VAL A 115 6.987 -2.381 4.042 1.00 0.00 H new ATOM 0 HB VAL A 115 8.020 -0.667 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.274 -1.099 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.297 -0.692 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.493 -2.383 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.353 -2.275 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.476 -3.599 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.947 -2.706 1.656 1.00 0.00 H new ATOM 1766 N GLU A 116 10.097 -3.130 4.893 1.00 0.00 N ATOM 1767 CA GLU A 116 10.965 -4.232 5.286 1.00 0.00 C ATOM 1768 C GLU A 116 10.401 -4.968 6.497 1.00 0.00 C ATOM 1769 O GLU A 116 10.387 -6.198 6.531 1.00 0.00 O ATOM 1770 CB GLU A 116 12.376 -3.720 5.581 1.00 0.00 C ATOM 1771 CG GLU A 116 13.149 -3.350 4.326 1.00 0.00 C ATOM 1772 CD GLU A 116 14.623 -3.116 4.593 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.205 -3.858 5.411 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.195 -2.190 3.980 1.00 0.00 O ATOM 0 H GLU A 116 10.526 -2.207 4.962 1.00 0.00 H new ATOM 0 HA GLU A 116 11.015 -4.937 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.311 -2.848 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.927 -4.485 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.040 -4.146 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.716 -2.450 3.890 1.00 0.00 H new ATOM 1781 N ARG A 117 9.930 -4.217 7.488 1.00 0.00 N ATOM 1782 CA ARG A 117 9.365 -4.820 8.689 1.00 0.00 C ATOM 1783 C ARG A 117 8.053 -5.534 8.379 1.00 0.00 C ATOM 1784 O ARG A 117 7.651 -6.451 9.094 1.00 0.00 O ATOM 1785 CB ARG A 117 9.171 -3.769 9.787 1.00 0.00 C ATOM 1786 CG ARG A 117 8.147 -2.696 9.460 1.00 0.00 C ATOM 1787 CD ARG A 117 8.336 -1.478 10.352 1.00 0.00 C ATOM 1788 NE ARG A 117 7.517 -1.548 11.560 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.592 -0.667 12.557 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.445 0.349 12.487 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.813 -0.803 13.624 1.00 0.00 N ATOM 0 H ARG A 117 9.928 -3.197 7.483 1.00 0.00 H new ATOM 0 HA ARG A 117 10.072 -5.565 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.869 -4.273 10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.129 -3.290 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.241 -2.404 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.141 -3.095 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.386 -1.393 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.081 -0.577 9.794 1.00 0.00 H new ATOM 0 HE ARG A 117 6.850 -2.315 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.044 0.456 11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.500 1.022 13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.157 -1.582 13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.871 -0.128 14.387 1.00 0.00 H new ATOM 1805 N ALA A 118 7.398 -5.118 7.300 1.00 0.00 N ATOM 1806 CA ALA A 118 6.142 -5.728 6.888 1.00 0.00 C ATOM 1807 C ALA A 118 6.383 -7.103 6.275 1.00 0.00 C ATOM 1808 O ALA A 118 5.754 -8.087 6.663 1.00 0.00 O ATOM 1809 CB ALA A 118 5.409 -4.831 5.904 1.00 0.00 C ATOM 0 H ALA A 118 7.717 -4.361 6.696 1.00 0.00 H new ATOM 0 HA ALA A 118 5.519 -5.852 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.473 -5.304 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.197 -3.871 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.031 -4.674 5.023 1.00 0.00 H new ATOM 1815 N ILE A 119 7.301 -7.164 5.316 1.00 0.00 N ATOM 1816 CA ILE A 119 7.630 -8.417 4.651 1.00 0.00 C ATOM 1817 C ILE A 119 8.372 -9.354 5.594 1.00 0.00 C ATOM 1818 O ILE A 119 8.245 -10.575 5.506 1.00 0.00 O ATOM 1819 CB ILE A 119 8.501 -8.181 3.404 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.913 -7.072 2.534 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.647 -9.463 2.602 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.969 -6.185 1.918 1.00 0.00 C ATOM 0 H ILE A 119 7.830 -6.358 4.982 1.00 0.00 H new ATOM 0 HA ILE A 119 6.687 -8.871 4.348 1.00 0.00 H new ATOM 0 HB ILE A 119 9.490 -7.867 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.313 -7.519 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.240 -6.462 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.266 -9.275 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.117 -10.228 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.663 -9.808 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.490 -5.416 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.553 -5.712 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.627 -6.785 1.290 1.00 0.00 H new ATOM 1834 N SER A 120 9.148 -8.766 6.490 1.00 0.00 N ATOM 1835 CA SER A 120 9.923 -9.529 7.457 1.00 0.00 C ATOM 1836 C SER A 120 9.015 -10.191 8.485 1.00 0.00 C ATOM 1837 O SER A 120 9.218 -11.348 8.852 1.00 0.00 O ATOM 1838 CB SER A 120 10.931 -8.618 8.161 1.00 0.00 C ATOM 1839 OG SER A 120 11.946 -9.376 8.798 1.00 0.00 O ATOM 0 H SER A 120 9.259 -7.755 6.568 1.00 0.00 H new ATOM 0 HA SER A 120 10.460 -10.311 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.380 -7.939 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.416 -8.002 8.898 1.00 0.00 H new ATOM 0 HG SER A 120 12.578 -8.771 9.239 1.00 0.00 H new ATOM 1845 N HIS A 121 8.013 -9.449 8.947 1.00 0.00 N ATOM 1846 CA HIS A 121 7.074 -9.966 9.936 1.00 0.00 C ATOM 1847 C HIS A 121 6.166 -11.023 9.323 1.00 0.00 C ATOM 1848 O HIS A 121 5.685 -11.922 10.012 1.00 0.00 O ATOM 1849 CB HIS A 121 6.233 -8.828 10.520 1.00 0.00 C ATOM 1850 CG HIS A 121 6.806 -8.236 11.770 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.086 -7.725 11.843 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.268 -8.077 13.004 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.310 -7.280 13.067 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.223 -7.481 13.790 1.00 0.00 N ATOM 0 H HIS A 121 7.831 -8.489 8.653 1.00 0.00 H new ATOM 0 HA HIS A 121 7.650 -10.429 10.738 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.130 -8.043 9.771 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.231 -9.200 10.731 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.274 -8.365 13.312 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.227 -6.828 13.417 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.111 -7.233 14.773 1.00 0.00 H new