USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 MET CE :methyl -106:sc= -0.859 (180deg=-2.83!) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 68 GLN : amide:sc= 0.296 K(o=0.42,f=-0.41) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.126 K(o=0.42,f=-0.39) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 170:sc= -2.06 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.902 USER MOD Single : A 35 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.74) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.824 F(o=-2.6!,f=-0.82) USER MOD Single : A 45 SER OG : rot 4:sc= 0.874 USER MOD Single : A 46 LYS NZ :NH3+ -103:sc= -2.21 (180deg=-4.43!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -162:sc= -0.188 (180deg=-0.718) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.03) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -8.18! C(o=-11!,f=-8.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -9.78! C(o=-9.8!,f=-9.9!) USER MOD Single : A 85 SER OG : rot -150:sc= -0.399 USER MOD Single : A 92 SER OG : rot 84:sc= 1.18 USER MOD Single : A 94 TYR OH : rot 57:sc= -0.0395! USER MOD Single : A 95 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.6!) USER MOD Single : A 96 GLN : amide:sc= -2.02 K(o=-2,f=-3.1) USER MOD Single : A 101 TYR OH : rot -140:sc= -1.68! USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -0.0566 (180deg=-0.361) USER MOD Single : A 120 SER OG : rot -25:sc= -0.0216 USER MOD Single : A 121 HIS : no HE2:sc= 0.971 K(o=0.97,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.729 -12.947 0.092 1.00 0.00 N ATOM 38 CA ARG A 3 12.820 -11.983 0.135 1.00 0.00 C ATOM 39 C ARG A 3 12.335 -10.613 0.609 1.00 0.00 C ATOM 40 O ARG A 3 13.131 -9.685 0.757 1.00 0.00 O ATOM 41 CB ARG A 3 13.465 -11.854 -1.246 1.00 0.00 C ATOM 42 CG ARG A 3 12.464 -11.630 -2.369 1.00 0.00 C ATOM 43 CD ARG A 3 12.984 -10.629 -3.387 1.00 0.00 C ATOM 44 NE ARG A 3 12.691 -11.041 -4.759 1.00 0.00 N ATOM 45 CZ ARG A 3 13.212 -12.123 -5.335 1.00 0.00 C ATOM 46 NH1 ARG A 3 14.043 -12.908 -4.660 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.901 -12.420 -6.588 1.00 0.00 N ATOM 0 HA ARG A 3 13.559 -12.348 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.172 -11.025 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.037 -12.758 -1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.253 -12.578 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.523 -11.271 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.536 -9.654 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.061 -10.514 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 3 12.050 -10.466 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.286 -12.684 -3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.439 -13.735 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.263 -11.820 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.300 -13.248 -7.030 1.00 0.00 H new ATOM 61 N GLY A 4 11.031 -10.486 0.838 1.00 0.00 N ATOM 62 CA GLY A 4 10.481 -9.222 1.283 1.00 0.00 C ATOM 63 C GLY A 4 10.186 -8.299 0.123 1.00 0.00 C ATOM 64 O GLY A 4 11.016 -7.469 -0.245 1.00 0.00 O ATOM 0 H GLY A 4 10.348 -11.235 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.565 -9.402 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.183 -8.739 1.962 1.00 0.00 H new ATOM 68 N ILE A 5 9.006 -8.448 -0.463 1.00 0.00 N ATOM 69 CA ILE A 5 8.612 -7.621 -1.592 1.00 0.00 C ATOM 70 C ILE A 5 7.674 -6.507 -1.157 1.00 0.00 C ATOM 71 O ILE A 5 6.539 -6.758 -0.749 1.00 0.00 O ATOM 72 CB ILE A 5 7.927 -8.447 -2.694 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.744 -9.704 -3.000 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.748 -7.606 -3.950 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.361 -10.893 -2.149 1.00 0.00 C ATOM 0 H ILE A 5 8.307 -9.133 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 5 9.529 -7.189 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 5 6.942 -8.753 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.617 -9.963 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.801 -9.486 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.262 -8.203 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.131 -6.737 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.723 -7.275 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.980 -11.748 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.514 -10.652 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.312 -11.137 -2.316 1.00 0.00 H new ATOM 87 N VAL A 6 8.154 -5.277 -1.254 1.00 0.00 N ATOM 88 CA VAL A 6 7.360 -4.120 -0.879 1.00 0.00 C ATOM 89 C VAL A 6 6.878 -3.383 -2.125 1.00 0.00 C ATOM 90 O VAL A 6 7.683 -2.921 -2.928 1.00 0.00 O ATOM 91 CB VAL A 6 8.166 -3.145 0.005 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.463 -2.742 -0.682 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.323 -1.924 0.341 1.00 0.00 C ATOM 0 H VAL A 6 9.091 -5.055 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 6 6.504 -4.482 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 6 8.426 -3.650 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.016 -2.055 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.067 -3.630 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.236 -2.253 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.902 -1.243 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.035 -1.416 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.428 -2.237 0.879 1.00 0.00 H new ATOM 103 N TRP A 7 5.565 -3.270 -2.285 1.00 0.00 N ATOM 104 CA TRP A 7 5.005 -2.579 -3.441 1.00 0.00 C ATOM 105 C TRP A 7 4.320 -1.293 -3.012 1.00 0.00 C ATOM 106 O TRP A 7 3.663 -1.243 -1.973 1.00 0.00 O ATOM 107 CB TRP A 7 4.031 -3.481 -4.203 1.00 0.00 C ATOM 108 CG TRP A 7 4.730 -4.444 -5.113 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.058 -4.766 -5.092 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.150 -5.212 -6.177 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.342 -5.675 -6.076 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.188 -5.965 -6.757 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.856 -5.334 -6.698 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.974 -6.826 -7.829 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.647 -6.190 -7.762 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.701 -6.927 -8.318 1.00 0.00 C ATOM 0 H TRP A 7 4.873 -3.644 -1.636 1.00 0.00 H new ATOM 0 HA TRP A 7 5.825 -2.327 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.423 -4.037 -3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.351 -2.862 -4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.780 -4.361 -4.398 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.261 -6.071 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.037 -4.770 -6.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.785 -7.395 -8.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.653 -6.293 -8.173 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.504 -7.588 -9.149 1.00 0.00 H new ATOM 127 N VAL A 8 4.499 -0.245 -3.806 1.00 0.00 N ATOM 128 CA VAL A 8 3.917 1.052 -3.491 1.00 0.00 C ATOM 129 C VAL A 8 3.102 1.601 -4.652 1.00 0.00 C ATOM 130 O VAL A 8 3.416 1.358 -5.811 1.00 0.00 O ATOM 131 CB VAL A 8 5.003 2.085 -3.130 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.508 2.982 -2.018 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.314 1.413 -2.737 1.00 0.00 C ATOM 0 H VAL A 8 5.041 -0.268 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 8 3.263 0.891 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 8 5.204 2.689 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.280 3.710 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.609 3.504 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.278 2.379 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.054 2.175 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.149 0.773 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.678 0.811 -3.569 1.00 0.00 H new ATOM 143 N VAL A 9 2.065 2.363 -4.333 1.00 0.00 N ATOM 144 CA VAL A 9 1.221 2.964 -5.358 1.00 0.00 C ATOM 145 C VAL A 9 1.108 4.469 -5.125 1.00 0.00 C ATOM 146 O VAL A 9 0.577 4.915 -4.108 1.00 0.00 O ATOM 147 CB VAL A 9 -0.191 2.320 -5.413 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.473 1.807 -6.818 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.335 1.189 -4.398 1.00 0.00 C ATOM 0 H VAL A 9 1.788 2.580 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 9 1.696 2.778 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.920 3.088 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.465 1.357 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.429 2.636 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.273 1.060 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.336 0.764 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.403 0.415 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.175 1.580 -3.393 1.00 0.00 H new ATOM 159 N ASP A 10 1.648 5.247 -6.065 1.00 0.00 N ATOM 160 CA ASP A 10 1.647 6.703 -5.957 1.00 0.00 C ATOM 161 C ASP A 10 2.125 7.362 -7.258 1.00 0.00 C ATOM 162 O ASP A 10 1.932 6.824 -8.345 1.00 0.00 O ATOM 163 CB ASP A 10 2.536 7.116 -4.786 1.00 0.00 C ATOM 164 CG ASP A 10 2.044 8.363 -4.077 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.078 8.987 -4.566 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.630 8.720 -3.034 1.00 0.00 O ATOM 0 H ASP A 10 2.092 4.890 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 10 0.626 7.042 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.589 6.295 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.549 7.288 -5.150 1.00 0.00 H new ATOM 171 N ASP A 11 2.739 8.535 -7.135 1.00 0.00 N ATOM 172 CA ASP A 11 3.222 9.289 -8.296 1.00 0.00 C ATOM 173 C ASP A 11 4.369 8.580 -9.025 1.00 0.00 C ATOM 174 O ASP A 11 4.823 9.047 -10.070 1.00 0.00 O ATOM 175 CB ASP A 11 3.693 10.676 -7.855 1.00 0.00 C ATOM 176 CG ASP A 11 2.628 11.432 -7.082 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.505 11.198 -5.862 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.924 12.260 -7.697 1.00 0.00 O ATOM 0 H ASP A 11 2.916 8.989 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 11 2.386 9.370 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.584 10.574 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.980 11.255 -8.733 1.00 0.00 H new ATOM 183 N ASP A 12 4.818 7.447 -8.497 1.00 0.00 N ATOM 184 CA ASP A 12 5.895 6.681 -9.128 1.00 0.00 C ATOM 185 C ASP A 12 7.254 7.391 -9.053 1.00 0.00 C ATOM 186 O ASP A 12 8.093 7.042 -8.226 1.00 0.00 O ATOM 187 CB ASP A 12 5.539 6.388 -10.591 1.00 0.00 C ATOM 188 CG ASP A 12 5.995 5.013 -11.040 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.117 4.609 -10.667 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.232 4.341 -11.766 1.00 0.00 O ATOM 0 H ASP A 12 4.456 7.037 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 12 5.991 5.749 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.460 6.469 -10.721 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.995 7.144 -11.230 1.00 0.00 H new ATOM 195 N SER A 13 7.473 8.363 -9.937 1.00 0.00 N ATOM 196 CA SER A 13 8.742 9.101 -10.002 1.00 0.00 C ATOM 197 C SER A 13 9.310 9.439 -8.624 1.00 0.00 C ATOM 198 O SER A 13 10.250 8.799 -8.148 1.00 0.00 O ATOM 199 CB SER A 13 8.567 10.380 -10.826 1.00 0.00 C ATOM 200 OG SER A 13 9.472 10.416 -11.916 1.00 0.00 O ATOM 0 H SER A 13 6.783 8.663 -10.626 1.00 0.00 H new ATOM 0 HA SER A 13 9.463 8.442 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.544 10.439 -11.197 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.726 11.250 -10.189 1.00 0.00 H new ATOM 0 HG SER A 13 9.337 11.242 -12.426 1.00 0.00 H new ATOM 206 N SER A 14 8.748 10.466 -8.009 1.00 0.00 N ATOM 207 CA SER A 14 9.201 10.924 -6.699 1.00 0.00 C ATOM 208 C SER A 14 9.242 9.786 -5.689 1.00 0.00 C ATOM 209 O SER A 14 10.078 9.777 -4.790 1.00 0.00 O ATOM 210 CB SER A 14 8.287 12.035 -6.183 1.00 0.00 C ATOM 211 OG SER A 14 8.975 12.891 -5.287 1.00 0.00 O ATOM 0 H SER A 14 7.972 11.004 -8.396 1.00 0.00 H new ATOM 0 HA SER A 14 10.214 11.308 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.905 12.615 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.425 11.596 -5.681 1.00 0.00 H new ATOM 0 HG SER A 14 8.367 13.593 -4.974 1.00 0.00 H new ATOM 217 N ILE A 15 8.330 8.837 -5.835 1.00 0.00 N ATOM 218 CA ILE A 15 8.256 7.704 -4.924 1.00 0.00 C ATOM 219 C ILE A 15 9.326 6.669 -5.220 1.00 0.00 C ATOM 220 O ILE A 15 9.777 5.953 -4.326 1.00 0.00 O ATOM 221 CB ILE A 15 6.874 7.041 -4.988 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.787 8.108 -4.917 1.00 0.00 C ATOM 223 CG2 ILE A 15 6.713 6.025 -3.864 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.802 8.905 -3.632 1.00 0.00 C ATOM 0 H ILE A 15 7.630 8.829 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 15 8.425 8.095 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 15 6.780 6.508 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.904 8.790 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.813 7.630 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.726 5.566 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.478 5.254 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.819 6.527 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.001 9.644 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.654 8.234 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.762 9.412 -3.529 1.00 0.00 H new ATOM 236 N ARG A 16 9.731 6.598 -6.477 1.00 0.00 N ATOM 237 CA ARG A 16 10.754 5.653 -6.891 1.00 0.00 C ATOM 238 C ARG A 16 12.035 5.890 -6.107 1.00 0.00 C ATOM 239 O ARG A 16 12.681 4.954 -5.641 1.00 0.00 O ATOM 240 CB ARG A 16 11.030 5.773 -8.390 1.00 0.00 C ATOM 241 CG ARG A 16 11.911 4.656 -8.928 1.00 0.00 C ATOM 242 CD ARG A 16 12.232 4.845 -10.402 1.00 0.00 C ATOM 243 NE ARG A 16 12.258 3.573 -11.119 1.00 0.00 N ATOM 244 CZ ARG A 16 12.394 3.464 -12.438 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.517 4.549 -13.192 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.407 2.265 -13.007 1.00 0.00 N ATOM 0 H ARG A 16 9.367 7.184 -7.228 1.00 0.00 H new ATOM 0 HA ARG A 16 10.391 4.646 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.082 5.771 -8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.508 6.732 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.839 4.619 -8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.410 3.698 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.489 5.502 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.198 5.339 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 16 12.166 2.715 -10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.508 5.473 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.621 4.459 -14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.313 1.427 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.511 2.181 -14.018 1.00 0.00 H new ATOM 260 N TRP A 17 12.403 7.155 -5.982 1.00 0.00 N ATOM 261 CA TRP A 17 13.613 7.522 -5.267 1.00 0.00 C ATOM 262 C TRP A 17 13.484 7.341 -3.752 1.00 0.00 C ATOM 263 O TRP A 17 14.230 6.580 -3.144 1.00 0.00 O ATOM 264 CB TRP A 17 13.986 8.974 -5.573 1.00 0.00 C ATOM 265 CG TRP A 17 15.306 9.385 -4.992 1.00 0.00 C ATOM 266 CD1 TRP A 17 16.542 8.968 -5.394 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.524 10.295 -3.905 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.513 9.560 -4.625 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.914 10.378 -3.704 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.680 11.046 -3.081 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.479 11.182 -2.717 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.241 11.841 -2.101 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.629 11.904 -1.927 1.00 0.00 C ATOM 0 H TRP A 17 11.882 7.943 -6.366 1.00 0.00 H new ATOM 0 HA TRP A 17 14.397 6.849 -5.613 1.00 0.00 H new ATOM 0 HB2 TRP A 17 14.014 9.114 -6.654 1.00 0.00 H new ATOM 0 HB3 TRP A 17 13.207 9.631 -5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 17 16.729 8.273 -6.200 1.00 0.00 H new ATOM 0 HE1 TRP A 17 18.518 9.414 -4.724 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.608 11.005 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.549 11.233 -2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.598 12.424 -1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.036 12.536 -1.152 1.00 0.00 H new ATOM 284 N VAL A 18 12.560 8.082 -3.147 1.00 0.00 N ATOM 285 CA VAL A 18 12.375 8.053 -1.688 1.00 0.00 C ATOM 286 C VAL A 18 12.034 6.682 -1.117 1.00 0.00 C ATOM 287 O VAL A 18 12.735 6.173 -0.244 1.00 0.00 O ATOM 288 CB VAL A 18 11.289 9.045 -1.193 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.667 9.591 0.178 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.058 10.191 -2.171 1.00 0.00 C ATOM 0 H VAL A 18 11.925 8.711 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 18 13.357 8.350 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 18 10.353 8.491 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.899 10.286 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.750 8.768 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.623 10.110 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.289 10.856 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.986 10.748 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.734 9.790 -3.131 1.00 0.00 H new ATOM 300 N LEU A 19 10.921 6.133 -1.550 1.00 0.00 N ATOM 301 CA LEU A 19 10.438 4.866 -1.011 1.00 0.00 C ATOM 302 C LEU A 19 11.261 3.650 -1.408 1.00 0.00 C ATOM 303 O LEU A 19 11.638 2.858 -0.551 1.00 0.00 O ATOM 304 CB LEU A 19 8.973 4.662 -1.384 1.00 0.00 C ATOM 305 CG LEU A 19 7.984 5.277 -0.393 1.00 0.00 C ATOM 306 CD1 LEU A 19 6.559 5.134 -0.887 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.149 4.642 0.981 1.00 0.00 C ATOM 0 H LEU A 19 10.328 6.539 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 19 10.547 4.946 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.797 5.092 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.775 3.593 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 19 8.200 6.342 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.877 5.580 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.454 5.642 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.320 4.077 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.439 5.089 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.963 3.570 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.164 4.811 1.340 1.00 0.00 H new ATOM 319 N GLU A 20 11.510 3.479 -2.689 1.00 0.00 N ATOM 320 CA GLU A 20 12.258 2.324 -3.158 1.00 0.00 C ATOM 321 C GLU A 20 13.697 2.356 -2.719 1.00 0.00 C ATOM 322 O GLU A 20 14.167 1.459 -2.026 1.00 0.00 O ATOM 323 CB GLU A 20 12.230 2.254 -4.667 1.00 0.00 C ATOM 324 CG GLU A 20 10.939 2.717 -5.277 1.00 0.00 C ATOM 325 CD GLU A 20 10.741 2.193 -6.688 1.00 0.00 C ATOM 326 OE1 GLU A 20 11.485 1.275 -7.090 1.00 0.00 O ATOM 327 OE2 GLU A 20 9.840 2.698 -7.392 1.00 0.00 O ATOM 0 H GLU A 20 11.209 4.119 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 20 11.777 1.449 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.045 2.860 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.418 1.226 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.108 2.390 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.918 3.807 -5.291 1.00 0.00 H new ATOM 334 N ARG A 21 14.406 3.379 -3.161 1.00 0.00 N ATOM 335 CA ARG A 21 15.825 3.490 -2.829 1.00 0.00 C ATOM 336 C ARG A 21 16.052 3.316 -1.335 1.00 0.00 C ATOM 337 O ARG A 21 16.968 2.606 -0.917 1.00 0.00 O ATOM 338 CB ARG A 21 16.403 4.826 -3.288 1.00 0.00 C ATOM 339 CG ARG A 21 16.521 4.953 -4.800 1.00 0.00 C ATOM 340 CD ARG A 21 17.961 4.776 -5.267 1.00 0.00 C ATOM 341 NE ARG A 21 18.079 3.780 -6.333 1.00 0.00 N ATOM 342 CZ ARG A 21 18.700 2.608 -6.198 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.243 2.257 -5.039 1.00 0.00 N ATOM 344 NH2 ARG A 21 18.775 1.779 -7.231 1.00 0.00 N ATOM 0 H ARG A 21 14.037 4.134 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 21 16.342 2.690 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.774 5.633 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.389 4.958 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.888 4.206 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.154 5.930 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.346 5.732 -5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.581 4.476 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 21 17.659 3.996 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.188 2.887 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.715 1.357 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.358 2.039 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.249 0.882 -7.131 1.00 0.00 H new ATOM 358 N ALA A 22 15.218 3.961 -0.533 1.00 0.00 N ATOM 359 CA ALA A 22 15.338 3.866 0.913 1.00 0.00 C ATOM 360 C ALA A 22 14.955 2.483 1.419 1.00 0.00 C ATOM 361 O ALA A 22 15.580 1.957 2.340 1.00 0.00 O ATOM 362 CB ALA A 22 14.504 4.942 1.592 1.00 0.00 C ATOM 0 H ALA A 22 14.454 4.553 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 22 16.385 4.028 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.607 4.854 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.850 5.925 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.457 4.819 1.316 1.00 0.00 H new ATOM 368 N LEU A 23 13.946 1.884 0.805 1.00 0.00 N ATOM 369 CA LEU A 23 13.520 0.546 1.201 1.00 0.00 C ATOM 370 C LEU A 23 14.513 -0.486 0.684 1.00 0.00 C ATOM 371 O LEU A 23 14.684 -1.554 1.275 1.00 0.00 O ATOM 372 CB LEU A 23 12.110 0.222 0.693 1.00 0.00 C ATOM 373 CG LEU A 23 11.029 0.154 1.778 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.677 -0.185 1.167 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.400 -0.869 2.841 1.00 0.00 C ATOM 0 H LEU A 23 13.411 2.295 0.040 1.00 0.00 H new ATOM 0 HA LEU A 23 13.492 0.514 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.822 0.977 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.139 -0.734 0.170 1.00 0.00 H new ATOM 0 HG LEU A 23 10.959 1.134 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.923 -0.229 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.402 0.582 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.736 -1.152 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.620 -0.902 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.500 -1.852 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.346 -0.587 3.303 1.00 0.00 H new ATOM 387 N ALA A 24 15.186 -0.150 -0.410 1.00 0.00 N ATOM 388 CA ALA A 24 16.179 -1.039 -0.981 1.00 0.00 C ATOM 389 C ALA A 24 17.313 -1.219 0.008 1.00 0.00 C ATOM 390 O ALA A 24 17.873 -2.306 0.138 1.00 0.00 O ATOM 391 CB ALA A 24 16.693 -0.493 -2.304 1.00 0.00 C ATOM 0 H ALA A 24 15.060 0.728 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 24 15.723 -2.008 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.437 -1.176 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.864 -0.396 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.148 0.484 -2.142 1.00 0.00 H new ATOM 397 N GLY A 25 17.624 -0.144 0.735 1.00 0.00 N ATOM 398 CA GLY A 25 18.664 -0.220 1.736 1.00 0.00 C ATOM 399 C GLY A 25 18.285 -1.185 2.840 1.00 0.00 C ATOM 400 O GLY A 25 19.150 -1.764 3.496 1.00 0.00 O ATOM 0 H GLY A 25 17.175 0.768 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.597 -0.540 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.841 0.769 2.158 1.00 0.00 H new ATOM 404 N ALA A 26 16.978 -1.362 3.034 1.00 0.00 N ATOM 405 CA ALA A 26 16.469 -2.268 4.048 1.00 0.00 C ATOM 406 C ALA A 26 16.585 -3.722 3.589 1.00 0.00 C ATOM 407 O ALA A 26 16.497 -4.643 4.400 1.00 0.00 O ATOM 408 CB ALA A 26 15.024 -1.926 4.390 1.00 0.00 C ATOM 0 H ALA A 26 16.254 -0.885 2.496 1.00 0.00 H new ATOM 0 HA ALA A 26 17.075 -2.149 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.658 -2.614 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.971 -0.905 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.408 -2.013 3.495 1.00 0.00 H new ATOM 414 N GLY A 27 16.804 -3.921 2.288 1.00 0.00 N ATOM 415 CA GLY A 27 16.950 -5.264 1.760 1.00 0.00 C ATOM 416 C GLY A 27 15.676 -5.832 1.158 1.00 0.00 C ATOM 417 O GLY A 27 15.500 -7.050 1.128 1.00 0.00 O ATOM 0 H GLY A 27 16.882 -3.176 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.730 -5.261 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.287 -5.923 2.560 1.00 0.00 H new ATOM 421 N LEU A 28 14.781 -4.970 0.674 1.00 0.00 N ATOM 422 CA LEU A 28 13.536 -5.440 0.082 1.00 0.00 C ATOM 423 C LEU A 28 13.360 -4.931 -1.344 1.00 0.00 C ATOM 424 O LEU A 28 14.086 -4.049 -1.798 1.00 0.00 O ATOM 425 CB LEU A 28 12.330 -5.017 0.924 1.00 0.00 C ATOM 426 CG LEU A 28 12.625 -4.725 2.391 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.000 -3.272 2.566 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.428 -5.085 3.260 1.00 0.00 C ATOM 0 H LEU A 28 14.895 -3.956 0.681 1.00 0.00 H new ATOM 0 HA LEU A 28 13.593 -6.528 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.890 -4.126 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.578 -5.805 0.872 1.00 0.00 H new ATOM 0 HG LEU A 28 13.467 -5.340 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.209 -3.074 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.887 -3.051 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.175 -2.641 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.658 -4.870 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.564 -4.498 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.204 -6.146 3.149 1.00 0.00 H new ATOM 440 N THR A 29 12.373 -5.495 -2.034 1.00 0.00 N ATOM 441 CA THR A 29 12.071 -5.103 -3.406 1.00 0.00 C ATOM 442 C THR A 29 10.943 -4.082 -3.417 1.00 0.00 C ATOM 443 O THR A 29 9.809 -4.393 -3.051 1.00 0.00 O ATOM 444 CB THR A 29 11.676 -6.324 -4.241 1.00 0.00 C ATOM 445 OG1 THR A 29 12.759 -7.228 -4.349 1.00 0.00 O ATOM 446 CG2 THR A 29 11.231 -5.971 -5.643 1.00 0.00 C ATOM 0 H THR A 29 11.767 -6.227 -1.664 1.00 0.00 H new ATOM 0 HA THR A 29 12.964 -4.657 -3.844 1.00 0.00 H new ATOM 0 HB THR A 29 10.836 -6.776 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.487 -8.002 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.965 -6.881 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.364 -5.312 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.043 -5.465 -6.166 1.00 0.00 H new ATOM 454 N CYS A 30 11.259 -2.859 -3.825 1.00 0.00 N ATOM 455 CA CYS A 30 10.266 -1.797 -3.864 1.00 0.00 C ATOM 456 C CYS A 30 9.935 -1.372 -5.286 1.00 0.00 C ATOM 457 O CYS A 30 10.786 -0.853 -6.009 1.00 0.00 O ATOM 458 CB CYS A 30 10.751 -0.592 -3.077 1.00 0.00 C ATOM 459 SG CYS A 30 9.415 0.433 -2.415 1.00 0.00 S ATOM 0 H CYS A 30 12.191 -2.581 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 30 9.357 -2.194 -3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.376 -0.936 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.382 0.021 -3.721 1.00 0.00 H new ATOM 0 HG CYS A 30 9.907 1.306 -1.587 1.00 0.00 H new ATOM 465 N THR A 31 8.679 -1.564 -5.663 1.00 0.00 N ATOM 466 CA THR A 31 8.206 -1.171 -6.979 1.00 0.00 C ATOM 467 C THR A 31 7.025 -0.226 -6.812 1.00 0.00 C ATOM 468 O THR A 31 6.190 -0.413 -5.928 1.00 0.00 O ATOM 469 CB THR A 31 7.820 -2.395 -7.821 1.00 0.00 C ATOM 470 OG1 THR A 31 7.811 -2.067 -9.201 1.00 0.00 O ATOM 471 CG2 THR A 31 6.464 -2.970 -7.482 1.00 0.00 C ATOM 0 H THR A 31 7.967 -1.992 -5.071 1.00 0.00 H new ATOM 0 HA THR A 31 9.008 -0.660 -7.513 1.00 0.00 H new ATOM 0 HB THR A 31 8.575 -3.146 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.565 -2.858 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.264 -3.831 -8.120 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.452 -3.281 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.697 -2.213 -7.644 1.00 0.00 H new ATOM 479 N THR A 32 6.972 0.803 -7.640 1.00 0.00 N ATOM 480 CA THR A 32 5.904 1.781 -7.549 1.00 0.00 C ATOM 481 C THR A 32 4.991 1.720 -8.764 1.00 0.00 C ATOM 482 O THR A 32 5.341 1.145 -9.795 1.00 0.00 O ATOM 483 CB THR A 32 6.484 3.178 -7.358 1.00 0.00 C ATOM 484 OG1 THR A 32 7.350 3.516 -8.427 1.00 0.00 O ATOM 485 CG2 THR A 32 7.265 3.304 -6.065 1.00 0.00 C ATOM 0 H THR A 32 7.652 0.982 -8.379 1.00 0.00 H new ATOM 0 HA THR A 32 5.293 1.542 -6.678 1.00 0.00 H new ATOM 0 HB THR A 32 5.632 3.857 -7.327 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.830 3.611 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.658 4.317 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.608 3.093 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.091 2.593 -6.068 1.00 0.00 H new ATOM 493 N PHE A 33 3.800 2.279 -8.612 1.00 0.00 N ATOM 494 CA PHE A 33 2.799 2.256 -9.664 1.00 0.00 C ATOM 495 C PHE A 33 2.199 3.644 -9.909 1.00 0.00 C ATOM 496 O PHE A 33 2.525 4.605 -9.213 1.00 0.00 O ATOM 497 CB PHE A 33 1.720 1.241 -9.317 1.00 0.00 C ATOM 498 CG PHE A 33 2.252 -0.159 -9.116 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.123 -0.444 -8.075 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.891 -1.187 -9.970 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.617 -1.718 -7.891 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.383 -2.463 -9.791 1.00 0.00 C ATOM 503 CZ PHE A 33 3.245 -2.732 -8.753 1.00 0.00 C ATOM 0 H PHE A 33 3.503 2.758 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 33 3.282 1.957 -10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.210 1.561 -8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.975 1.227 -10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.419 0.344 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.215 -0.987 -10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.294 -1.923 -7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.091 -3.253 -10.467 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.629 -3.731 -8.612 1.00 0.00 H new ATOM 513 N GLU A 34 1.361 3.743 -10.939 1.00 0.00 N ATOM 514 CA GLU A 34 0.754 5.015 -11.336 1.00 0.00 C ATOM 515 C GLU A 34 -0.162 5.620 -10.268 1.00 0.00 C ATOM 516 O GLU A 34 -0.175 6.839 -10.097 1.00 0.00 O ATOM 517 CB GLU A 34 -0.049 4.825 -12.627 1.00 0.00 C ATOM 518 CG GLU A 34 -1.156 3.787 -12.508 1.00 0.00 C ATOM 519 CD GLU A 34 -2.433 4.344 -11.912 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.747 5.525 -12.174 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.116 3.599 -11.177 1.00 0.00 O ATOM 0 H GLU A 34 1.084 2.951 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 34 1.579 5.712 -11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.487 5.780 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.630 4.530 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.371 3.379 -13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.805 2.960 -11.891 1.00 0.00 H new ATOM 528 N ASN A 35 -0.942 4.803 -9.565 1.00 0.00 N ATOM 529 CA ASN A 35 -1.844 5.352 -8.556 1.00 0.00 C ATOM 530 C ASN A 35 -2.371 4.302 -7.596 1.00 0.00 C ATOM 531 O ASN A 35 -2.213 4.417 -6.381 1.00 0.00 O ATOM 532 CB ASN A 35 -3.014 6.062 -9.237 1.00 0.00 C ATOM 533 CG ASN A 35 -3.601 7.166 -8.380 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.639 6.989 -7.740 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.938 8.316 -8.366 1.00 0.00 N ATOM 0 H ASN A 35 -0.970 3.789 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.263 6.060 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.678 6.482 -10.185 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.791 5.334 -9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.284 9.098 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.082 8.418 -8.912 1.00 0.00 H new ATOM 542 N GLY A 36 -3.017 3.294 -8.146 1.00 0.00 N ATOM 543 CA GLY A 36 -3.584 2.242 -7.325 1.00 0.00 C ATOM 544 C GLY A 36 -4.048 1.056 -8.138 1.00 0.00 C ATOM 545 O GLY A 36 -3.802 -0.092 -7.768 1.00 0.00 O ATOM 0 H GLY A 36 -3.162 3.180 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.840 1.912 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.426 2.642 -6.759 1.00 0.00 H new ATOM 549 N ASN A 37 -4.731 1.332 -9.243 1.00 0.00 N ATOM 550 CA ASN A 37 -5.245 0.278 -10.104 1.00 0.00 C ATOM 551 C ASN A 37 -4.110 -0.515 -10.729 1.00 0.00 C ATOM 552 O ASN A 37 -4.247 -1.706 -11.007 1.00 0.00 O ATOM 553 CB ASN A 37 -6.142 0.868 -11.192 1.00 0.00 C ATOM 554 CG ASN A 37 -7.448 0.109 -11.333 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.120 -0.129 -10.210 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.848 -0.261 -12.437 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.941 2.278 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.838 -0.401 -9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.354 1.912 -10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.612 0.855 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.300 -0.057 -13.273 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.727 -0.772 -12.516 1.00 0.00 H new ATOM 563 N GLU A 38 -2.989 0.156 -10.946 1.00 0.00 N ATOM 564 CA GLU A 38 -1.822 -0.478 -11.540 1.00 0.00 C ATOM 565 C GLU A 38 -1.408 -1.730 -10.766 1.00 0.00 C ATOM 566 O GLU A 38 -1.257 -2.801 -11.355 1.00 0.00 O ATOM 567 CB GLU A 38 -0.664 0.510 -11.586 1.00 0.00 C ATOM 568 CG GLU A 38 -0.016 0.639 -12.956 1.00 0.00 C ATOM 569 CD GLU A 38 1.259 -0.175 -13.077 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.328 0.332 -12.675 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.187 -1.318 -13.575 1.00 0.00 O ATOM 0 H GLU A 38 -2.863 1.142 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.084 -0.782 -12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.023 1.490 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.093 0.201 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.723 0.316 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.207 1.688 -13.151 1.00 0.00 H new ATOM 578 N VAL A 39 -1.219 -1.602 -9.447 1.00 0.00 N ATOM 579 CA VAL A 39 -0.818 -2.748 -8.632 1.00 0.00 C ATOM 580 C VAL A 39 -1.695 -3.958 -8.919 1.00 0.00 C ATOM 581 O VAL A 39 -1.217 -5.091 -8.965 1.00 0.00 O ATOM 582 CB VAL A 39 -0.889 -2.450 -7.125 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.197 -3.543 -6.337 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.282 -1.099 -6.812 1.00 0.00 C ATOM 0 H VAL A 39 -1.336 -0.730 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 39 0.217 -2.958 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.938 -2.423 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.256 -3.317 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.685 -4.498 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.849 -3.602 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.344 -0.912 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.763 -1.089 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.827 -0.322 -7.348 1.00 0.00 H new ATOM 594 N LEU A 40 -2.981 -3.706 -9.115 1.00 0.00 N ATOM 595 CA LEU A 40 -3.934 -4.769 -9.401 1.00 0.00 C ATOM 596 C LEU A 40 -3.573 -5.476 -10.703 1.00 0.00 C ATOM 597 O LEU A 40 -3.637 -6.701 -10.796 1.00 0.00 O ATOM 598 CB LEU A 40 -5.350 -4.198 -9.488 1.00 0.00 C ATOM 599 CG LEU A 40 -5.705 -3.176 -8.404 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.090 -2.596 -8.645 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.625 -3.814 -7.023 1.00 0.00 C ATOM 0 H LEU A 40 -3.390 -2.772 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.895 -5.496 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.477 -3.729 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.061 -5.022 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.982 -2.362 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.322 -1.872 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.113 -2.102 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.828 -3.398 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.880 -3.074 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.325 -4.648 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.612 -4.178 -6.848 1.00 0.00 H new ATOM 613 N ALA A 41 -3.193 -4.689 -11.705 1.00 0.00 N ATOM 614 CA ALA A 41 -2.817 -5.230 -13.007 1.00 0.00 C ATOM 615 C ALA A 41 -1.582 -6.113 -12.900 1.00 0.00 C ATOM 616 O ALA A 41 -1.560 -7.237 -13.400 1.00 0.00 O ATOM 617 CB ALA A 41 -2.578 -4.102 -13.997 1.00 0.00 C ATOM 0 H ALA A 41 -3.137 -3.673 -11.640 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.640 -5.847 -13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.298 -4.520 -14.964 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.489 -3.514 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.775 -3.462 -13.632 1.00 0.00 H new ATOM 623 N ALA A 42 -0.560 -5.592 -12.245 1.00 0.00 N ATOM 624 CA ALA A 42 0.688 -6.321 -12.060 1.00 0.00 C ATOM 625 C ALA A 42 0.502 -7.453 -11.060 1.00 0.00 C ATOM 626 O ALA A 42 1.142 -8.500 -11.159 1.00 0.00 O ATOM 627 CB ALA A 42 1.800 -5.380 -11.609 1.00 0.00 C ATOM 0 H ALA A 42 -0.568 -4.661 -11.829 1.00 0.00 H new ATOM 0 HA ALA A 42 0.977 -6.754 -13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.723 -5.945 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.952 -4.608 -12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.521 -4.914 -10.664 1.00 0.00 H new ATOM 633 N LEU A 43 -0.386 -7.231 -10.099 1.00 0.00 N ATOM 634 CA LEU A 43 -0.672 -8.224 -9.073 1.00 0.00 C ATOM 635 C LEU A 43 -1.191 -9.520 -9.686 1.00 0.00 C ATOM 636 O LEU A 43 -1.082 -10.590 -9.088 1.00 0.00 O ATOM 637 CB LEU A 43 -1.691 -7.672 -8.079 1.00 0.00 C ATOM 638 CG LEU A 43 -1.086 -6.983 -6.862 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.080 -6.021 -6.230 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.630 -8.020 -5.856 1.00 0.00 C ATOM 0 H LEU A 43 -0.922 -6.368 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 43 0.259 -8.446 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.336 -6.963 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.326 -8.490 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.222 -6.402 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.623 -5.543 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.363 -5.260 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.968 -6.570 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.199 -7.520 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.483 -8.621 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.120 -8.665 -6.313 1.00 0.00 H new ATOM 652 N ALA A 44 -1.759 -9.414 -10.880 1.00 0.00 N ATOM 653 CA ALA A 44 -2.299 -10.572 -11.577 1.00 0.00 C ATOM 654 C ALA A 44 -1.228 -11.637 -11.803 1.00 0.00 C ATOM 655 O ALA A 44 -1.545 -12.802 -12.050 1.00 0.00 O ATOM 656 CB ALA A 44 -2.910 -10.148 -12.905 1.00 0.00 C ATOM 0 H ALA A 44 -1.858 -8.534 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.076 -11.009 -10.950 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.311 -11.023 -13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.713 -9.434 -12.724 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.144 -9.683 -13.526 1.00 0.00 H new ATOM 662 N SER A 45 0.035 -11.234 -11.724 1.00 0.00 N ATOM 663 CA SER A 45 1.144 -12.153 -11.927 1.00 0.00 C ATOM 664 C SER A 45 2.066 -12.214 -10.710 1.00 0.00 C ATOM 665 O SER A 45 3.068 -12.930 -10.726 1.00 0.00 O ATOM 666 CB SER A 45 1.943 -11.745 -13.165 1.00 0.00 C ATOM 667 OG SER A 45 3.169 -12.454 -13.238 1.00 0.00 O ATOM 0 H SER A 45 0.315 -10.275 -11.520 1.00 0.00 H new ATOM 0 HA SER A 45 0.723 -13.148 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.354 -11.938 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.140 -10.673 -13.137 1.00 0.00 H new ATOM 0 HG SER A 45 3.218 -13.100 -12.502 1.00 0.00 H new ATOM 673 N LYS A 46 1.739 -11.465 -9.660 1.00 0.00 N ATOM 674 CA LYS A 46 2.560 -11.454 -8.457 1.00 0.00 C ATOM 675 C LYS A 46 1.818 -10.824 -7.284 1.00 0.00 C ATOM 676 O LYS A 46 0.807 -10.148 -7.465 1.00 0.00 O ATOM 677 CB LYS A 46 3.859 -10.693 -8.715 1.00 0.00 C ATOM 678 CG LYS A 46 5.048 -11.226 -7.932 1.00 0.00 C ATOM 679 CD LYS A 46 5.819 -10.100 -7.262 1.00 0.00 C ATOM 680 CE LYS A 46 7.234 -10.525 -6.904 1.00 0.00 C ATOM 681 NZ LYS A 46 8.121 -9.356 -6.656 1.00 0.00 N ATOM 0 H LYS A 46 0.917 -10.863 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 46 2.789 -12.488 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.089 -10.735 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.711 -9.643 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.702 -11.932 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.710 -11.775 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.855 -9.237 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.294 -9.785 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.209 -11.156 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.647 -11.128 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.735 -9.205 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.541 -8.508 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.708 -9.538 -5.817 1.00 0.00 H new ATOM 695 N THR A 47 2.332 -11.047 -6.081 1.00 0.00 N ATOM 696 CA THR A 47 1.734 -10.500 -4.877 1.00 0.00 C ATOM 697 C THR A 47 2.808 -9.989 -3.917 1.00 0.00 C ATOM 698 O THR A 47 3.617 -10.770 -3.418 1.00 0.00 O ATOM 699 CB THR A 47 0.865 -11.551 -4.180 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.159 -12.009 -5.043 1.00 0.00 O ATOM 701 CG2 THR A 47 0.203 -11.035 -2.918 1.00 0.00 C ATOM 0 H THR A 47 3.168 -11.608 -5.916 1.00 0.00 H new ATOM 0 HA THR A 47 1.103 -9.660 -5.169 1.00 0.00 H new ATOM 0 HB THR A 47 1.546 -12.359 -3.913 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.702 -12.681 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.398 -11.828 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.968 -10.718 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.438 -10.188 -3.163 1.00 0.00 H new ATOM 709 N PRO A 48 2.827 -8.674 -3.628 1.00 0.00 N ATOM 710 CA PRO A 48 3.806 -8.103 -2.710 1.00 0.00 C ATOM 711 C PRO A 48 3.475 -8.438 -1.265 1.00 0.00 C ATOM 712 O PRO A 48 2.324 -8.720 -0.932 1.00 0.00 O ATOM 713 CB PRO A 48 3.705 -6.599 -2.953 1.00 0.00 C ATOM 714 CG PRO A 48 2.341 -6.370 -3.512 1.00 0.00 C ATOM 715 CD PRO A 48 1.896 -7.661 -4.154 1.00 0.00 C ATOM 0 HA PRO A 48 4.809 -8.495 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.847 -6.043 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.474 -6.262 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.648 -6.074 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.356 -5.562 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.864 -7.898 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.947 -7.602 -5.241 1.00 0.00 H new ATOM 723 N ASP A 49 4.488 -8.418 -0.412 1.00 0.00 N ATOM 724 CA ASP A 49 4.293 -8.730 0.993 1.00 0.00 C ATOM 725 C ASP A 49 3.594 -7.585 1.717 1.00 0.00 C ATOM 726 O ASP A 49 2.866 -7.808 2.684 1.00 0.00 O ATOM 727 CB ASP A 49 5.633 -9.042 1.663 1.00 0.00 C ATOM 728 CG ASP A 49 6.157 -10.417 1.290 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.442 -11.410 1.538 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.280 -10.499 0.750 1.00 0.00 O ATOM 0 H ASP A 49 5.449 -8.190 -0.668 1.00 0.00 H new ATOM 0 HA ASP A 49 3.655 -9.612 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.365 -8.287 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.519 -8.980 2.745 1.00 0.00 H new ATOM 735 N VAL A 50 3.826 -6.353 1.261 1.00 0.00 N ATOM 736 CA VAL A 50 3.217 -5.196 1.890 1.00 0.00 C ATOM 737 C VAL A 50 2.970 -4.067 0.882 1.00 0.00 C ATOM 738 O VAL A 50 3.905 -3.394 0.450 1.00 0.00 O ATOM 739 CB VAL A 50 4.125 -4.683 3.016 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.445 -4.206 2.437 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.441 -3.587 3.807 1.00 0.00 C ATOM 0 H VAL A 50 4.427 -6.139 0.465 1.00 0.00 H new ATOM 0 HA VAL A 50 2.253 -5.505 2.295 1.00 0.00 H new ATOM 0 HB VAL A 50 4.327 -5.502 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.085 -3.843 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.938 -5.033 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.261 -3.399 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.105 -3.241 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.202 -2.755 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.523 -3.975 4.248 1.00 0.00 H new ATOM 751 N LEU A 51 1.709 -3.861 0.508 1.00 0.00 N ATOM 752 CA LEU A 51 1.368 -2.809 -0.449 1.00 0.00 C ATOM 753 C LEU A 51 1.142 -1.473 0.256 1.00 0.00 C ATOM 754 O LEU A 51 0.803 -1.431 1.436 1.00 0.00 O ATOM 755 CB LEU A 51 0.124 -3.192 -1.255 1.00 0.00 C ATOM 756 CG LEU A 51 -0.119 -2.333 -2.498 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.001 -2.530 -3.507 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.465 -2.664 -3.122 1.00 0.00 C ATOM 0 H LEU A 51 0.914 -4.402 0.848 1.00 0.00 H new ATOM 0 HA LEU A 51 2.211 -2.699 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.212 -4.234 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.749 -3.123 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.131 -1.286 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.813 -1.912 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.951 -2.241 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.043 -3.578 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.620 -2.043 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.484 -3.715 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.258 -2.472 -2.400 1.00 0.00 H new ATOM 770 N LEU A 52 1.331 -0.384 -0.485 1.00 0.00 N ATOM 771 CA LEU A 52 1.149 0.965 0.049 1.00 0.00 C ATOM 772 C LEU A 52 0.407 1.835 -0.960 1.00 0.00 C ATOM 773 O LEU A 52 0.880 2.039 -2.076 1.00 0.00 O ATOM 774 CB LEU A 52 2.509 1.592 0.356 1.00 0.00 C ATOM 775 CG LEU A 52 2.538 2.604 1.503 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.972 2.962 1.862 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.752 3.855 1.134 1.00 0.00 C ATOM 0 H LEU A 52 1.612 -0.410 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 52 0.563 0.901 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.212 0.792 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.871 2.085 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 52 2.068 2.148 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.973 3.683 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.505 2.063 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.467 3.397 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.784 4.563 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.192 4.313 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.716 3.586 0.927 1.00 0.00 H new ATOM 789 N SER A 53 -0.756 2.343 -0.570 1.00 0.00 N ATOM 790 CA SER A 53 -1.554 3.184 -1.458 1.00 0.00 C ATOM 791 C SER A 53 -1.604 4.626 -0.962 1.00 0.00 C ATOM 792 O SER A 53 -1.925 4.882 0.197 1.00 0.00 O ATOM 793 CB SER A 53 -2.969 2.620 -1.584 1.00 0.00 C ATOM 794 OG SER A 53 -3.170 2.031 -2.856 1.00 0.00 O ATOM 0 H SER A 53 -1.167 2.189 0.351 1.00 0.00 H new ATOM 0 HA SER A 53 -1.079 3.184 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.139 1.877 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.697 3.417 -1.429 1.00 0.00 H new ATOM 0 HG SER A 53 -4.082 1.676 -2.912 1.00 0.00 H new ATOM 800 N ASP A 54 -1.286 5.567 -1.843 1.00 0.00 N ATOM 801 CA ASP A 54 -1.299 6.980 -1.479 1.00 0.00 C ATOM 802 C ASP A 54 -2.703 7.580 -1.570 1.00 0.00 C ATOM 803 O ASP A 54 -2.903 8.748 -1.240 1.00 0.00 O ATOM 804 CB ASP A 54 -0.335 7.773 -2.357 1.00 0.00 C ATOM 805 CG ASP A 54 0.403 8.836 -1.566 1.00 0.00 C ATOM 806 OD1 ASP A 54 1.195 8.466 -0.672 1.00 0.00 O ATOM 807 OD2 ASP A 54 0.190 10.035 -1.837 1.00 0.00 O ATOM 0 H ASP A 54 -1.017 5.380 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.973 7.046 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.385 7.093 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.887 8.243 -3.170 1.00 0.00 H new ATOM 812 N ILE A 55 -3.676 6.781 -2.011 1.00 0.00 N ATOM 813 CA ILE A 55 -5.062 7.242 -2.128 1.00 0.00 C ATOM 814 C ILE A 55 -5.141 8.661 -2.707 1.00 0.00 C ATOM 815 O ILE A 55 -5.094 9.645 -1.971 1.00 0.00 O ATOM 816 CB ILE A 55 -5.770 7.189 -0.749 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.186 7.751 -0.833 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.972 7.930 0.313 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.155 7.060 0.102 1.00 0.00 C ATOM 0 H ILE A 55 -3.531 5.812 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.573 6.570 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.833 6.140 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.162 8.816 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.548 7.656 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.496 7.874 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.987 7.474 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.860 8.974 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.144 7.505 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.206 6.000 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.814 7.177 1.131 1.00 0.00 H new ATOM 831 N ARG A 56 -5.253 8.760 -4.035 1.00 0.00 N ATOM 832 CA ARG A 56 -5.328 10.061 -4.696 1.00 0.00 C ATOM 833 C ARG A 56 -6.652 10.252 -5.432 1.00 0.00 C ATOM 834 O ARG A 56 -6.689 10.811 -6.528 1.00 0.00 O ATOM 835 CB ARG A 56 -4.169 10.235 -5.675 1.00 0.00 C ATOM 836 CG ARG A 56 -3.667 11.665 -5.757 1.00 0.00 C ATOM 837 CD ARG A 56 -3.407 12.092 -7.192 1.00 0.00 C ATOM 838 NE ARG A 56 -3.098 13.517 -7.284 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.988 14.066 -6.797 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.057 13.309 -6.230 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.806 15.377 -6.884 1.00 0.00 N ATOM 0 H ARG A 56 -5.293 7.960 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.262 10.819 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.347 9.585 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.487 9.911 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.400 12.334 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.749 11.761 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.578 11.513 -7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.282 11.869 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.772 14.126 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.190 12.300 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.209 13.736 -5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.516 15.962 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.956 15.800 -6.511 1.00 0.00 H new ATOM 855 N MET A 57 -7.735 9.803 -4.815 1.00 0.00 N ATOM 856 CA MET A 57 -9.065 9.939 -5.395 1.00 0.00 C ATOM 857 C MET A 57 -9.177 9.304 -6.784 1.00 0.00 C ATOM 858 O MET A 57 -9.777 9.889 -7.688 1.00 0.00 O ATOM 859 CB MET A 57 -9.464 11.415 -5.466 1.00 0.00 C ATOM 860 CG MET A 57 -10.959 11.640 -5.313 1.00 0.00 C ATOM 861 SD MET A 57 -11.580 12.962 -6.371 1.00 0.00 S ATOM 862 CE MET A 57 -13.275 12.433 -6.611 1.00 0.00 C ATOM 0 H MET A 57 -7.719 9.338 -3.907 1.00 0.00 H new ATOM 0 HA MET A 57 -9.749 9.400 -4.739 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.939 11.964 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.137 11.827 -6.421 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.487 10.715 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.181 11.879 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.793 13.150 -7.247 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.286 11.452 -7.086 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.778 12.374 -5.646 1.00 0.00 H new ATOM 872 N PRO A 58 -8.631 8.088 -6.979 1.00 0.00 N ATOM 873 CA PRO A 58 -8.717 7.396 -8.270 1.00 0.00 C ATOM 874 C PRO A 58 -10.172 7.082 -8.629 1.00 0.00 C ATOM 875 O PRO A 58 -10.806 7.820 -9.384 1.00 0.00 O ATOM 876 CB PRO A 58 -7.913 6.109 -8.050 1.00 0.00 C ATOM 877 CG PRO A 58 -7.889 5.915 -6.571 1.00 0.00 C ATOM 878 CD PRO A 58 -7.914 7.291 -5.969 1.00 0.00 C ATOM 0 HA PRO A 58 -8.333 7.995 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.380 5.261 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.904 6.201 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.747 5.330 -6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.995 5.372 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.429 7.301 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.908 7.673 -5.795 1.00 0.00 H new ATOM 886 N GLY A 59 -10.706 6.003 -8.055 1.00 0.00 N ATOM 887 CA GLY A 59 -12.089 5.633 -8.294 1.00 0.00 C ATOM 888 C GLY A 59 -12.956 6.027 -7.114 1.00 0.00 C ATOM 889 O GLY A 59 -13.501 7.131 -7.076 1.00 0.00 O ATOM 0 H GLY A 59 -10.201 5.378 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.451 6.122 -9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.160 4.558 -8.462 1.00 0.00 H new ATOM 893 N MET A 60 -13.039 5.147 -6.124 1.00 0.00 N ATOM 894 CA MET A 60 -13.795 5.441 -4.911 1.00 0.00 C ATOM 895 C MET A 60 -12.884 6.150 -3.927 1.00 0.00 C ATOM 896 O MET A 60 -12.608 5.646 -2.833 1.00 0.00 O ATOM 897 CB MET A 60 -14.381 4.183 -4.262 1.00 0.00 C ATOM 898 CG MET A 60 -15.416 4.486 -3.191 1.00 0.00 C ATOM 899 SD MET A 60 -17.073 3.937 -3.640 1.00 0.00 S ATOM 900 CE MET A 60 -17.275 4.746 -5.224 1.00 0.00 C ATOM 0 H MET A 60 -12.595 4.229 -6.136 1.00 0.00 H new ATOM 0 HA MET A 60 -14.637 6.076 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.838 3.563 -5.034 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.573 3.599 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.119 4.004 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.433 5.560 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.333 4.778 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.885 5.762 -5.166 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.730 4.191 -5.988 1.00 0.00 H new ATOM 910 N ASP A 61 -12.398 7.310 -4.358 1.00 0.00 N ATOM 911 CA ASP A 61 -11.495 8.145 -3.572 1.00 0.00 C ATOM 912 C ASP A 61 -10.143 7.477 -3.333 1.00 0.00 C ATOM 913 O ASP A 61 -9.130 8.152 -3.170 1.00 0.00 O ATOM 914 CB ASP A 61 -12.148 8.511 -2.245 1.00 0.00 C ATOM 915 CG ASP A 61 -12.640 9.945 -2.225 1.00 0.00 C ATOM 916 OD1 ASP A 61 -13.609 10.248 -2.951 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.059 10.764 -1.484 1.00 0.00 O ATOM 0 H ASP A 61 -12.622 7.701 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.305 9.051 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.985 7.839 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.432 8.363 -1.437 1.00 0.00 H new ATOM 922 N GLY A 62 -10.131 6.154 -3.310 1.00 0.00 N ATOM 923 CA GLY A 62 -8.907 5.423 -3.085 1.00 0.00 C ATOM 924 C GLY A 62 -9.187 4.087 -2.445 1.00 0.00 C ATOM 925 O GLY A 62 -8.520 3.095 -2.739 1.00 0.00 O ATOM 0 H GLY A 62 -10.957 5.570 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.388 5.275 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.244 6.005 -2.445 1.00 0.00 H new ATOM 929 N LEU A 63 -10.198 4.057 -1.576 1.00 0.00 N ATOM 930 CA LEU A 63 -10.577 2.822 -0.915 1.00 0.00 C ATOM 931 C LEU A 63 -11.075 1.812 -1.942 1.00 0.00 C ATOM 932 O LEU A 63 -11.070 0.605 -1.693 1.00 0.00 O ATOM 933 CB LEU A 63 -11.655 3.041 0.155 1.00 0.00 C ATOM 934 CG LEU A 63 -11.505 4.288 1.029 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.261 5.467 0.433 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.986 3.997 2.442 1.00 0.00 C ATOM 0 H LEU A 63 -10.760 4.869 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.688 2.439 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.624 3.087 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.672 2.167 0.807 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.449 4.557 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.138 6.340 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.868 5.687 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.320 5.219 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.875 4.891 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.035 3.703 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.393 3.188 2.869 1.00 0.00 H new ATOM 948 N ALA A 64 -11.501 2.304 -3.110 1.00 0.00 N ATOM 949 CA ALA A 64 -11.990 1.413 -4.162 1.00 0.00 C ATOM 950 C ALA A 64 -10.960 0.339 -4.467 1.00 0.00 C ATOM 951 O ALA A 64 -11.304 -0.818 -4.710 1.00 0.00 O ATOM 952 CB ALA A 64 -12.285 2.187 -5.435 1.00 0.00 C ATOM 0 H ALA A 64 -11.517 3.296 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.909 0.950 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.647 1.502 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.046 2.942 -5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.374 2.674 -5.784 1.00 0.00 H new ATOM 958 N LEU A 65 -9.693 0.733 -4.449 1.00 0.00 N ATOM 959 CA LEU A 65 -8.602 -0.189 -4.719 1.00 0.00 C ATOM 960 C LEU A 65 -8.670 -1.392 -3.791 1.00 0.00 C ATOM 961 O LEU A 65 -8.525 -2.531 -4.226 1.00 0.00 O ATOM 962 CB LEU A 65 -7.258 0.526 -4.572 1.00 0.00 C ATOM 963 CG LEU A 65 -6.317 0.365 -5.763 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.810 -1.067 -5.846 1.00 0.00 C ATOM 965 CD2 LEU A 65 -7.024 0.763 -7.050 1.00 0.00 C ATOM 0 H LEU A 65 -9.397 1.688 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.698 -0.546 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.442 1.588 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.759 0.152 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.459 1.023 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.140 -1.167 -6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.272 -1.316 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.655 -1.746 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.342 0.644 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.897 0.127 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.340 1.804 -6.984 1.00 0.00 H new ATOM 977 N LEU A 66 -8.906 -1.130 -2.511 1.00 0.00 N ATOM 978 CA LEU A 66 -9.005 -2.193 -1.521 1.00 0.00 C ATOM 979 C LEU A 66 -10.046 -3.222 -1.945 1.00 0.00 C ATOM 980 O LEU A 66 -9.828 -4.428 -1.831 1.00 0.00 O ATOM 981 CB LEU A 66 -9.363 -1.610 -0.153 1.00 0.00 C ATOM 982 CG LEU A 66 -8.543 -0.385 0.262 1.00 0.00 C ATOM 983 CD1 LEU A 66 -9.324 0.478 1.237 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.215 -0.817 0.867 1.00 0.00 C ATOM 0 H LEU A 66 -9.032 -0.190 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.038 -2.690 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.419 -1.338 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.235 -2.387 0.601 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.338 0.211 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.724 1.343 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.247 0.815 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.563 -0.104 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.643 0.065 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.399 -1.435 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.650 -1.390 0.132 1.00 0.00 H new ATOM 996 N LYS A 67 -11.176 -2.736 -2.448 1.00 0.00 N ATOM 997 CA LYS A 67 -12.247 -3.615 -2.902 1.00 0.00 C ATOM 998 C LYS A 67 -11.742 -4.567 -3.984 1.00 0.00 C ATOM 999 O LYS A 67 -12.047 -5.758 -3.973 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.420 -2.801 -3.446 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.760 -3.496 -3.276 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.880 -2.752 -3.984 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.166 -3.561 -3.973 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.977 -3.340 -5.202 1.00 0.00 N ATOM 0 H LYS A 67 -11.373 -1.741 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.585 -4.198 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.451 -1.837 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.254 -2.599 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.694 -4.511 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.994 -3.579 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.047 -1.791 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.588 -2.542 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.927 -4.621 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.756 -3.292 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.845 -3.911 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.228 -2.334 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.425 -3.621 -6.037 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.967 -4.031 -4.916 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.414 -4.827 -6.005 1.00 0.00 C ATOM 1020 C GLN A 68 -9.356 -5.797 -5.486 1.00 0.00 C ATOM 1021 O GLN A 68 -9.117 -6.851 -6.076 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.789 -3.912 -7.059 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.667 -2.735 -7.458 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.816 -3.145 -8.356 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.852 -3.613 -7.884 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.638 -2.972 -9.659 1.00 0.00 N ATOM 0 H GLN A 68 -10.706 -3.045 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.227 -5.399 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.841 -3.532 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.563 -4.501 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.063 -2.261 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.059 -1.989 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.763 -2.580 -10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.376 -3.231 -10.313 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.713 -5.415 -4.389 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.662 -6.225 -3.785 1.00 0.00 C ATOM 1037 C ILE A 69 -8.196 -7.557 -3.264 1.00 0.00 C ATOM 1038 O ILE A 69 -7.520 -8.583 -3.345 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.970 -5.443 -2.646 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.259 -4.224 -3.228 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.986 -6.314 -1.873 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.758 -3.258 -2.182 1.00 0.00 C ATOM 0 H ILE A 69 -8.903 -4.542 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.932 -6.447 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.736 -5.121 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.417 -4.560 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.943 -3.700 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.522 -5.725 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.516 -7.159 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.216 -6.682 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.264 -2.418 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.598 -2.892 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.049 -3.765 -1.528 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.402 -7.529 -2.728 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.028 -8.724 -2.183 1.00 0.00 C ATOM 1056 C LYS A 70 -10.590 -9.611 -3.284 1.00 0.00 C ATOM 1057 O LYS A 70 -10.643 -10.833 -3.146 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.146 -8.332 -1.224 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.306 -7.626 -1.902 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.562 -8.483 -1.922 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.798 -7.644 -2.199 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.832 -8.409 -2.950 1.00 0.00 N ATOM 0 H LYS A 70 -9.973 -6.687 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.263 -9.288 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.517 -9.228 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.738 -7.682 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.514 -6.690 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.026 -7.369 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.466 -9.255 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.673 -8.992 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.218 -7.295 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.516 -6.759 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.768 -7.991 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.621 -8.371 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.830 -9.399 -2.632 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.027 -8.984 -4.363 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.611 -9.709 -5.484 1.00 0.00 C ATOM 1078 C GLN A 71 -10.607 -10.641 -6.148 1.00 0.00 C ATOM 1079 O GLN A 71 -10.924 -11.785 -6.471 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.176 -8.724 -6.508 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.642 -8.393 -6.279 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.040 -7.052 -6.868 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.809 -6.988 -7.826 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.516 -5.973 -6.297 1.00 0.00 N ATOM 0 H GLN A 71 -10.989 -7.972 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.418 -10.327 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.594 -7.803 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.057 -9.142 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.260 -9.176 -6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.846 -8.390 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.882 -6.073 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.747 -5.045 -6.652 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.405 -10.139 -6.363 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.358 -10.922 -7.010 1.00 0.00 C ATOM 1095 C ARG A 72 -7.432 -11.575 -5.997 1.00 0.00 C ATOM 1096 O ARG A 72 -7.170 -12.776 -6.060 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.550 -10.038 -7.961 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.120 -9.999 -9.366 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.923 -8.639 -10.017 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.041 -8.718 -11.471 1.00 0.00 N ATOM 1101 CZ ARG A 72 -9.167 -9.033 -12.107 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.288 -9.239 -11.425 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -9.176 -9.134 -13.429 1.00 0.00 N ATOM 0 H ARG A 72 -9.126 -9.194 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.845 -11.716 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.513 -9.024 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.523 -10.402 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.641 -10.766 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.183 -10.236 -9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.662 -7.938 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.941 -8.246 -9.752 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.212 -8.520 -12.032 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.289 -9.156 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.148 -9.480 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.320 -8.970 -13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.039 -9.375 -13.916 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.934 -10.775 -5.076 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.019 -11.259 -4.047 1.00 0.00 C ATOM 1119 C HIS A 73 -6.774 -11.594 -2.763 1.00 0.00 C ATOM 1120 O HIS A 73 -7.868 -11.077 -2.525 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.930 -10.215 -3.772 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.813 -9.191 -4.858 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.015 -7.856 -4.843 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.500 -9.514 -6.161 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.827 -7.401 -6.123 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.515 -8.421 -6.899 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.146 -9.779 -5.014 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.546 -12.171 -4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.146 -9.713 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.972 -10.721 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.277 -10.507 -6.521 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.919 -6.374 -6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.319 -8.373 -7.899 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.206 -12.473 -1.923 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.838 -12.884 -0.667 1.00 0.00 C ATOM 1137 C PRO A 74 -6.942 -11.741 0.342 1.00 0.00 C ATOM 1138 O PRO A 74 -8.027 -11.211 0.580 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.924 -13.994 -0.137 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.613 -13.798 -0.824 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.910 -13.140 -2.144 1.00 0.00 C ATOM 0 HA PRO A 74 -7.866 -13.210 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.813 -13.927 0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.337 -14.979 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.950 -13.176 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.107 -14.752 -0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.134 -12.425 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.969 -13.871 -2.951 1.00 0.00 H new ATOM 1149 N MET A 75 -5.810 -11.368 0.931 1.00 0.00 N ATOM 1150 CA MET A 75 -5.777 -10.290 1.915 1.00 0.00 C ATOM 1151 C MET A 75 -4.477 -9.499 1.805 1.00 0.00 C ATOM 1152 O MET A 75 -3.743 -9.356 2.783 1.00 0.00 O ATOM 1153 CB MET A 75 -5.917 -10.855 3.330 1.00 0.00 C ATOM 1154 CG MET A 75 -7.295 -11.415 3.638 1.00 0.00 C ATOM 1155 SD MET A 75 -7.234 -12.832 4.753 1.00 0.00 S ATOM 1156 CE MET A 75 -8.736 -13.692 4.292 1.00 0.00 C ATOM 0 H MET A 75 -4.903 -11.796 0.744 1.00 0.00 H new ATOM 0 HA MET A 75 -6.614 -9.622 1.712 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.176 -11.642 3.471 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.687 -10.069 4.049 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.910 -10.633 4.083 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.780 -11.710 2.707 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.839 -14.593 4.896 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.594 -13.042 4.461 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.690 -13.965 3.238 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.197 -8.990 0.613 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.981 -8.220 0.384 1.00 0.00 C ATOM 1168 C LEU A 76 -2.957 -6.960 1.247 1.00 0.00 C ATOM 1169 O LEU A 76 -3.738 -6.035 1.027 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.862 -7.829 -1.088 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.646 -6.966 -1.420 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.384 -7.813 -1.434 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.839 -6.256 -2.752 1.00 0.00 C ATOM 0 H LEU A 76 -4.793 -9.096 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.136 -8.851 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.822 -8.737 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.764 -7.292 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.539 -6.206 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.474 -7.184 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.240 -8.267 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.480 -8.596 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.962 -5.647 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.973 -6.995 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.721 -5.617 -2.699 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.055 -6.901 2.243 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.940 -5.741 3.129 1.00 0.00 C ATOM 1187 C PRO A 77 -1.601 -4.463 2.371 1.00 0.00 C ATOM 1188 O PRO A 77 -0.716 -4.443 1.515 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.802 -6.115 4.085 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.704 -7.598 3.999 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.080 -7.949 2.589 1.00 0.00 C ATOM 0 HA PRO A 77 -2.881 -5.531 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.134 -5.639 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.018 -5.791 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.305 -7.938 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.374 -8.077 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.216 -7.934 1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.516 -8.946 2.522 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.316 -3.402 2.705 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.123 -2.103 2.090 1.00 0.00 C ATOM 1201 C VAL A 78 -2.020 -1.025 3.158 1.00 0.00 C ATOM 1202 O VAL A 78 -2.563 -1.168 4.254 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.279 -1.744 1.139 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.898 -0.574 0.245 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.681 -2.951 0.308 1.00 0.00 C ATOM 0 H VAL A 78 -3.049 -3.419 3.414 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.199 -2.155 1.514 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.137 -1.443 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.730 -0.337 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.667 0.295 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.024 -0.840 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.499 -2.678 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.829 -3.286 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.004 -3.756 0.968 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.323 0.048 2.835 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.148 1.155 3.764 1.00 0.00 C ATOM 1217 C ILE A 79 -1.569 2.460 3.095 1.00 0.00 C ATOM 1218 O ILE A 79 -0.947 2.896 2.130 1.00 0.00 O ATOM 1219 CB ILE A 79 0.318 1.253 4.242 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.895 -0.144 4.509 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.419 2.113 5.489 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.105 -0.470 3.662 1.00 0.00 C ATOM 0 H ILE A 79 -0.866 0.179 1.933 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.776 0.975 4.636 1.00 0.00 H new ATOM 0 HB ILE A 79 0.902 1.723 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.167 -0.221 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.121 -0.889 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.459 2.169 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.052 3.116 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.182 1.672 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.459 -1.472 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.833 -0.426 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.896 0.253 3.864 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.649 3.062 3.588 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.165 4.294 2.997 1.00 0.00 C ATOM 1236 C ILE A 80 -2.789 5.537 3.798 1.00 0.00 C ATOM 1237 O ILE A 80 -2.896 5.562 5.023 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.694 4.247 2.834 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.136 2.863 2.357 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.148 5.316 1.851 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.600 2.497 0.994 1.00 0.00 C ATOM 0 H ILE A 80 -3.180 2.720 4.389 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.695 4.365 2.016 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.156 4.442 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.808 2.116 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.225 2.826 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.232 5.274 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.858 6.299 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.680 5.142 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.953 1.503 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.949 3.222 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.510 2.501 1.018 1.00 0.00 H new ATOM 1253 N MET A 81 -2.348 6.566 3.077 1.00 0.00 N ATOM 1254 CA MET A 81 -1.942 7.833 3.681 1.00 0.00 C ATOM 1255 C MET A 81 -3.129 8.603 4.263 1.00 0.00 C ATOM 1256 O MET A 81 -2.989 9.293 5.273 1.00 0.00 O ATOM 1257 CB MET A 81 -1.222 8.692 2.637 1.00 0.00 C ATOM 1258 CG MET A 81 -2.073 9.036 1.426 1.00 0.00 C ATOM 1259 SD MET A 81 -1.439 10.472 0.536 1.00 0.00 S ATOM 1260 CE MET A 81 -2.965 11.289 0.076 1.00 0.00 C ATOM 0 H MET A 81 -2.262 6.545 2.061 1.00 0.00 H new ATOM 0 HA MET A 81 -1.268 7.605 4.507 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.890 9.617 3.109 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.328 8.166 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.108 8.179 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.096 9.231 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.148 11.146 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.791 10.864 0.646 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.886 12.355 0.291 1.00 0.00 H new ATOM 1270 N THR A 82 -4.290 8.494 3.625 1.00 0.00 N ATOM 1271 CA THR A 82 -5.484 9.197 4.095 1.00 0.00 C ATOM 1272 C THR A 82 -6.725 8.316 3.989 1.00 0.00 C ATOM 1273 O THR A 82 -6.806 7.446 3.125 1.00 0.00 O ATOM 1274 CB THR A 82 -5.692 10.483 3.295 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.474 11.192 3.156 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.701 11.419 3.923 1.00 0.00 C ATOM 0 H THR A 82 -4.432 7.930 2.787 1.00 0.00 H new ATOM 0 HA THR A 82 -5.331 9.446 5.145 1.00 0.00 H new ATOM 0 HB THR A 82 -6.072 10.162 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.653 12.080 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.802 12.312 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.666 10.918 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.363 11.703 4.920 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.691 8.549 4.877 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.927 7.770 4.884 1.00 0.00 C ATOM 1286 C ALA A 83 -10.154 8.656 4.695 1.00 0.00 C ATOM 1287 O ALA A 83 -10.947 8.840 5.619 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.043 6.980 6.180 1.00 0.00 C ATOM 0 H ALA A 83 -7.641 9.269 5.598 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.887 7.078 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.968 6.404 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.194 6.302 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.050 7.668 7.026 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.321 9.187 3.490 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.467 10.035 3.190 1.00 0.00 C ATOM 1296 C HIS A 84 -12.545 9.229 2.474 1.00 0.00 C ATOM 1297 O HIS A 84 -12.382 8.031 2.243 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.045 11.230 2.334 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.142 10.864 1.202 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.459 9.899 0.272 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.925 11.340 0.848 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.476 9.798 -0.603 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.535 10.661 -0.278 1.00 0.00 N ATOM 0 H HIS A 84 -9.681 9.046 2.708 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.873 10.411 4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.937 11.714 1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.542 11.961 2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.366 12.111 1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.448 9.121 -1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.659 10.801 -0.782 1.00 0.00 H new ATOM 1312 N SER A 85 -13.646 9.886 2.126 1.00 0.00 N ATOM 1313 CA SER A 85 -14.745 9.216 1.438 1.00 0.00 C ATOM 1314 C SER A 85 -15.364 8.138 2.327 1.00 0.00 C ATOM 1315 O SER A 85 -15.182 8.149 3.545 1.00 0.00 O ATOM 1316 CB SER A 85 -14.252 8.603 0.123 1.00 0.00 C ATOM 1317 OG SER A 85 -15.073 8.997 -0.964 1.00 0.00 O ATOM 0 H SER A 85 -13.802 10.878 2.308 1.00 0.00 H new ATOM 0 HA SER A 85 -15.513 9.957 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.224 8.913 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.248 7.516 0.204 1.00 0.00 H new ATOM 0 HG SER A 85 -15.076 8.291 -1.644 1.00 0.00 H new ATOM 1323 N ASP A 86 -16.097 7.212 1.712 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.743 6.134 2.453 1.00 0.00 C ATOM 1325 C ASP A 86 -15.724 5.305 3.231 1.00 0.00 C ATOM 1326 O ASP A 86 -15.211 4.304 2.733 1.00 0.00 O ATOM 1327 CB ASP A 86 -17.531 5.235 1.497 1.00 0.00 C ATOM 1328 CG ASP A 86 -18.921 4.921 2.015 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -19.701 5.871 2.234 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -19.230 3.725 2.204 1.00 0.00 O ATOM 0 H ASP A 86 -16.257 7.188 0.705 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.429 6.585 3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -17.610 5.723 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.984 4.305 1.343 1.00 0.00 H new ATOM 1335 N LEU A 87 -15.447 5.732 4.462 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.495 5.041 5.331 1.00 0.00 C ATOM 1337 C LEU A 87 -14.815 3.553 5.438 1.00 0.00 C ATOM 1338 O LEU A 87 -13.941 2.738 5.738 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.517 5.678 6.726 1.00 0.00 C ATOM 1340 CG LEU A 87 -13.159 5.794 7.427 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.708 4.440 7.960 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -12.113 6.386 6.491 1.00 0.00 C ATOM 0 H LEU A 87 -15.871 6.559 4.882 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.502 5.140 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.948 6.676 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.184 5.095 7.361 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.272 6.470 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.742 4.547 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.442 4.068 8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.617 3.735 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.158 6.458 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.002 5.744 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.429 7.380 6.174 1.00 0.00 H new ATOM 1354 N ASP A 88 -16.074 3.208 5.196 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.526 1.821 5.272 1.00 0.00 C ATOM 1356 C ASP A 88 -15.606 0.876 4.501 1.00 0.00 C ATOM 1357 O ASP A 88 -15.381 -0.258 4.923 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.955 1.699 4.739 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.619 0.399 5.153 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.373 -0.058 6.290 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.381 -0.164 4.340 1.00 0.00 O ATOM 0 H ASP A 88 -16.805 3.873 4.944 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.500 1.530 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.548 2.538 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.941 1.766 3.651 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.078 1.336 3.368 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.197 0.502 2.564 1.00 0.00 C ATOM 1368 C ALA A 89 -12.835 0.342 3.225 1.00 0.00 C ATOM 1369 O ALA A 89 -12.093 -0.589 2.916 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.047 1.070 1.160 1.00 0.00 C ATOM 0 H ALA A 89 -15.244 2.270 2.993 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.652 -0.485 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.384 0.430 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.024 1.114 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.625 2.073 1.217 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.509 1.251 4.141 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.236 1.198 4.845 1.00 0.00 C ATOM 1378 C ALA A 90 -11.185 0.005 5.791 1.00 0.00 C ATOM 1379 O ALA A 90 -10.248 -0.791 5.744 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.988 2.491 5.609 1.00 0.00 C ATOM 0 H ALA A 90 -13.109 2.030 4.411 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.448 1.079 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.031 2.429 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.969 3.328 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.786 2.643 6.336 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.197 -0.120 6.649 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.243 -1.228 7.592 1.00 0.00 C ATOM 1388 C VAL A 91 -12.417 -2.551 6.864 1.00 0.00 C ATOM 1389 O VAL A 91 -11.722 -3.525 7.154 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.357 -1.079 8.640 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -13.144 -2.088 9.757 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.401 0.338 9.199 1.00 0.00 C ATOM 0 H VAL A 91 -12.985 0.525 6.708 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.288 -1.214 8.118 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.316 -1.273 8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.935 -1.981 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.167 -3.097 9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.177 -1.910 10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.199 0.413 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.447 0.573 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.589 1.043 8.389 1.00 0.00 H new ATOM 1402 N SER A 92 -13.329 -2.578 5.896 1.00 0.00 N ATOM 1403 CA SER A 92 -13.562 -3.784 5.113 1.00 0.00 C ATOM 1404 C SER A 92 -12.289 -4.178 4.368 1.00 0.00 C ATOM 1405 O SER A 92 -12.172 -5.294 3.864 1.00 0.00 O ATOM 1406 CB SER A 92 -14.709 -3.580 4.122 1.00 0.00 C ATOM 1407 OG SER A 92 -15.788 -2.884 4.723 1.00 0.00 O ATOM 0 H SER A 92 -13.914 -1.784 5.638 1.00 0.00 H new ATOM 0 HA SER A 92 -13.840 -4.587 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.350 -3.023 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.055 -4.547 3.758 1.00 0.00 H new ATOM 0 HG SER A 92 -15.619 -1.920 4.682 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.336 -3.251 4.304 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.072 -3.493 3.636 1.00 0.00 C ATOM 1415 C ALA A 93 -9.174 -4.385 4.474 1.00 0.00 C ATOM 1416 O ALA A 93 -8.791 -5.475 4.054 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.374 -2.177 3.350 1.00 0.00 C ATOM 0 H ALA A 93 -11.422 -2.320 4.712 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.278 -4.003 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.426 -2.370 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.005 -1.562 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.189 -1.652 4.287 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.828 -3.894 5.656 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.947 -4.623 6.571 1.00 0.00 C ATOM 1425 C TYR A 94 -8.340 -6.089 6.669 1.00 0.00 C ATOM 1426 O TYR A 94 -7.488 -6.969 6.792 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.966 -4.004 7.974 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.066 -2.495 7.995 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.124 -1.708 7.351 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.103 -1.858 8.669 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.210 -0.330 7.374 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.194 -0.480 8.697 1.00 0.00 C ATOM 1433 CZ TYR A 94 -8.247 0.279 8.050 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.338 1.652 8.080 1.00 0.00 O ATOM 0 H TYR A 94 -9.143 -2.990 6.009 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.939 -4.551 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.808 -4.419 8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.060 -4.302 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.309 -2.180 6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.849 -2.450 9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.469 0.268 6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.005 -0.001 9.225 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.376 1.997 7.164 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.635 -6.336 6.619 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.161 -7.689 6.704 1.00 0.00 C ATOM 1446 C GLN A 95 -9.968 -8.433 5.387 1.00 0.00 C ATOM 1447 O GLN A 95 -9.702 -9.636 5.377 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.644 -7.651 7.075 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.517 -7.025 6.002 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.172 -8.055 5.102 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.909 -9.252 5.214 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -14.031 -7.593 4.197 1.00 0.00 N ATOM 0 H GLN A 95 -10.348 -5.613 6.519 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.611 -8.222 7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.989 -8.667 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.765 -7.092 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.290 -6.420 6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.912 -6.351 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.221 -6.593 4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.500 -8.239 3.562 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.118 -7.716 4.280 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.975 -8.310 2.963 1.00 0.00 C ATOM 1463 C GLN A 96 -8.606 -8.026 2.341 1.00 0.00 C ATOM 1464 O GLN A 96 -8.394 -8.283 1.156 1.00 0.00 O ATOM 1465 CB GLN A 96 -11.085 -7.814 2.039 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.924 -6.364 1.606 1.00 0.00 C ATOM 1467 CD GLN A 96 -12.235 -5.731 1.181 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -13.255 -6.410 1.063 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.214 -4.424 0.949 1.00 0.00 N ATOM 0 H GLN A 96 -10.339 -6.720 4.272 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.056 -9.390 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.116 -8.447 1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -12.044 -7.928 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.497 -5.789 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.216 -6.313 0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.346 -3.900 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.066 -3.943 0.660 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.677 -7.502 3.138 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.351 -7.213 2.622 1.00 0.00 C ATOM 1480 C GLY A 97 -5.948 -5.759 2.774 1.00 0.00 C ATOM 1481 O GLY A 97 -5.993 -4.991 1.813 1.00 0.00 O ATOM 0 H GLY A 97 -7.817 -7.275 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.624 -7.840 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.313 -7.484 1.567 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.532 -5.387 3.980 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.095 -4.026 4.256 1.00 0.00 C ATOM 1487 C ALA A 98 -4.426 -3.943 5.626 1.00 0.00 C ATOM 1488 O ALA A 98 -4.838 -4.618 6.569 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.248 -3.046 4.144 1.00 0.00 C ATOM 0 H ALA A 98 -5.489 -6.013 4.784 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.357 -3.748 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.891 -2.038 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.659 -3.081 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.024 -3.314 4.861 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.378 -3.132 5.727 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.647 -2.988 6.975 1.00 0.00 C ATOM 1497 C PHE A 99 -3.303 -1.965 7.894 1.00 0.00 C ATOM 1498 O PHE A 99 -3.589 -2.260 9.053 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.197 -2.589 6.699 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.268 -2.925 7.828 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.329 -4.162 8.449 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.662 -2.002 8.274 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.519 -4.473 9.491 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.517 -2.308 9.317 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.444 -3.544 9.927 1.00 0.00 C ATOM 0 H PHE A 99 -3.018 -2.566 4.959 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.664 -3.954 7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.855 -3.090 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.152 -1.517 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.050 -4.892 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.721 -1.032 7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.460 -5.441 9.966 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.241 -1.581 9.654 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.109 -3.784 10.744 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.538 -0.763 7.376 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.163 0.291 8.170 1.00 0.00 C ATOM 1517 C ASP A 100 -4.304 1.584 7.375 1.00 0.00 C ATOM 1518 O ASP A 100 -4.180 1.595 6.150 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.363 0.538 9.453 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.194 0.309 10.701 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.415 0.569 10.654 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -3.626 -0.135 11.721 1.00 0.00 O ATOM 0 H ASP A 100 -3.308 -0.496 6.419 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.165 -0.045 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.495 -0.122 9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.986 1.561 9.453 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.580 2.670 8.089 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.762 3.979 7.476 1.00 0.00 C ATOM 1529 C TYR A 101 -4.037 5.051 8.283 1.00 0.00 C ATOM 1530 O TYR A 101 -3.846 4.905 9.491 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.252 4.325 7.399 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.895 4.041 6.057 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.294 2.757 5.711 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.121 5.064 5.143 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.903 2.500 4.496 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.727 4.813 3.923 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.117 3.531 3.606 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.726 3.280 2.398 1.00 0.00 O ATOM 0 H TYR A 101 -4.683 2.667 9.104 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.345 3.945 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.783 3.763 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.379 5.382 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.126 1.945 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.819 6.071 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.210 1.495 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.893 5.619 3.224 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.287 3.804 1.695 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.653 6.135 7.620 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.971 7.231 8.293 1.00 0.00 C ATOM 1550 C LEU A 102 -3.960 8.371 8.544 1.00 0.00 C ATOM 1551 O LEU A 102 -4.528 8.926 7.601 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.793 7.739 7.449 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.433 7.052 7.675 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.241 6.614 9.119 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.273 5.869 6.734 1.00 0.00 C ATOM 0 H LEU A 102 -3.802 6.278 6.621 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.581 6.869 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.057 7.632 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.672 8.805 7.641 1.00 0.00 H new ATOM 0 HG LEU A 102 0.341 7.788 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.732 6.135 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.292 7.484 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.025 5.908 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.693 5.395 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.069 5.148 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.328 6.215 5.702 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.192 8.729 9.820 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.132 9.796 10.183 1.00 0.00 C ATOM 1569 C PRO A 103 -4.872 11.087 9.416 1.00 0.00 C ATOM 1570 O PRO A 103 -5.804 11.748 8.956 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.876 10.004 11.677 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.342 8.699 12.157 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.567 8.117 11.009 1.00 0.00 C ATOM 0 HA PRO A 103 -6.161 9.527 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.162 10.810 11.848 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.793 10.273 12.202 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.702 8.837 13.029 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.151 8.034 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.507 8.363 11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.641 7.030 10.986 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.601 11.440 9.286 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.209 12.654 8.578 1.00 0.00 C ATOM 1583 C LYS A 104 -1.774 12.551 8.057 1.00 0.00 C ATOM 1584 O LYS A 104 -1.535 12.741 6.867 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.369 13.885 9.480 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.757 14.017 10.090 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.844 15.200 11.041 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.993 15.036 12.025 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.749 13.927 12.988 1.00 0.00 N ATOM 0 H LYS A 104 -2.820 10.902 9.662 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.871 12.768 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.632 13.836 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.150 14.781 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.494 14.134 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.008 13.101 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.906 15.300 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.980 16.119 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.136 15.967 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.915 14.844 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.317 14.081 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.019 13.023 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.740 13.902 13.240 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.790 12.244 8.928 1.00 0.00 N ATOM 1604 CA PRO A 105 0.608 12.116 8.514 1.00 0.00 C ATOM 1605 C PRO A 105 0.903 10.754 7.888 1.00 0.00 C ATOM 1606 O PRO A 105 0.138 9.809 8.056 1.00 0.00 O ATOM 1607 CB PRO A 105 1.372 12.286 9.825 1.00 0.00 C ATOM 1608 CG PRO A 105 0.453 11.750 10.867 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.950 12.001 10.380 1.00 0.00 C ATOM 0 HA PRO A 105 0.882 12.841 7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.315 11.739 9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.614 13.333 10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.624 10.685 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.624 12.243 11.824 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.598 11.146 10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.398 12.859 10.881 1.00 0.00 H new ATOM 1617 N PHE A 106 2.031 10.660 7.188 1.00 0.00 N ATOM 1618 CA PHE A 106 2.454 9.419 6.554 1.00 0.00 C ATOM 1619 C PHE A 106 3.886 9.542 6.042 1.00 0.00 C ATOM 1620 O PHE A 106 4.813 9.007 6.649 1.00 0.00 O ATOM 1621 CB PHE A 106 1.527 8.981 5.406 1.00 0.00 C ATOM 1622 CG PHE A 106 0.817 10.087 4.680 1.00 0.00 C ATOM 1623 CD1 PHE A 106 -0.365 10.611 5.176 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.319 10.583 3.488 1.00 0.00 C ATOM 1625 CE1 PHE A 106 -1.031 11.615 4.495 1.00 0.00 C ATOM 1626 CE2 PHE A 106 0.660 11.587 2.805 1.00 0.00 C ATOM 1627 CZ PHE A 106 -0.516 12.105 3.310 1.00 0.00 C ATOM 0 H PHE A 106 2.673 11.440 7.046 1.00 0.00 H new ATOM 0 HA PHE A 106 2.399 8.648 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.117 8.418 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.779 8.298 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.771 10.233 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.237 10.180 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.953 12.015 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.064 11.966 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.032 12.892 2.780 1.00 0.00 H new ATOM 1637 N ASP A 107 4.064 10.248 4.923 1.00 0.00 N ATOM 1638 CA ASP A 107 5.385 10.432 4.323 1.00 0.00 C ATOM 1639 C ASP A 107 6.217 9.159 4.466 1.00 0.00 C ATOM 1640 O ASP A 107 5.682 8.104 4.786 1.00 0.00 O ATOM 1641 CB ASP A 107 6.099 11.626 4.961 1.00 0.00 C ATOM 1642 CG ASP A 107 6.339 11.431 6.441 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.259 10.668 6.793 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.608 12.043 7.249 1.00 0.00 O ATOM 0 H ASP A 107 3.306 10.703 4.414 1.00 0.00 H new ATOM 0 HA ASP A 107 5.260 10.639 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.053 11.786 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.504 12.526 4.808 1.00 0.00 H new ATOM 1649 N ILE A 108 7.512 9.237 4.227 1.00 0.00 N ATOM 1650 CA ILE A 108 8.349 8.052 4.345 1.00 0.00 C ATOM 1651 C ILE A 108 8.456 7.591 5.790 1.00 0.00 C ATOM 1652 O ILE A 108 8.348 6.401 6.085 1.00 0.00 O ATOM 1653 CB ILE A 108 9.751 8.279 3.734 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.865 7.530 2.413 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.862 7.846 4.679 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.788 7.900 1.419 1.00 0.00 C ATOM 0 H ILE A 108 8.003 10.089 3.955 1.00 0.00 H new ATOM 0 HA ILE A 108 7.865 7.260 3.774 1.00 0.00 H new ATOM 0 HB ILE A 108 9.869 9.349 3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.841 7.732 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.818 6.458 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.829 8.023 4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.797 8.420 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.756 6.784 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.929 7.330 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.809 7.672 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.848 8.966 1.197 1.00 0.00 H new ATOM 1668 N ASP A 109 8.672 8.536 6.681 1.00 0.00 N ATOM 1669 CA ASP A 109 8.805 8.229 8.098 1.00 0.00 C ATOM 1670 C ASP A 109 7.616 7.424 8.614 1.00 0.00 C ATOM 1671 O ASP A 109 7.793 6.334 9.144 1.00 0.00 O ATOM 1672 CB ASP A 109 8.967 9.511 8.917 1.00 0.00 C ATOM 1673 CG ASP A 109 10.399 10.007 8.932 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.166 9.578 9.820 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.753 10.824 8.057 1.00 0.00 O ATOM 0 H ASP A 109 8.760 9.526 6.453 1.00 0.00 H new ATOM 0 HA ASP A 109 9.701 7.619 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.321 10.286 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.637 9.330 9.940 1.00 0.00 H new ATOM 1680 N GLU A 110 6.407 7.969 8.477 1.00 0.00 N ATOM 1681 CA GLU A 110 5.210 7.294 8.957 1.00 0.00 C ATOM 1682 C GLU A 110 4.734 6.197 8.006 1.00 0.00 C ATOM 1683 O GLU A 110 4.113 5.229 8.444 1.00 0.00 O ATOM 1684 CB GLU A 110 4.073 8.297 9.203 1.00 0.00 C ATOM 1685 CG GLU A 110 4.435 9.436 10.135 1.00 0.00 C ATOM 1686 CD GLU A 110 3.823 9.278 11.514 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.064 8.232 12.153 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.105 10.200 11.955 1.00 0.00 O ATOM 0 H GLU A 110 6.235 8.874 8.038 1.00 0.00 H new ATOM 0 HA GLU A 110 5.483 6.820 9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.758 8.713 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.217 7.763 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.520 9.494 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.101 10.378 9.699 1.00 0.00 H new ATOM 1695 N ALA A 111 5.017 6.333 6.715 1.00 0.00 N ATOM 1696 CA ALA A 111 4.592 5.321 5.758 1.00 0.00 C ATOM 1697 C ALA A 111 5.524 4.117 5.821 1.00 0.00 C ATOM 1698 O ALA A 111 5.080 2.991 6.049 1.00 0.00 O ATOM 1699 CB ALA A 111 4.510 5.883 4.346 1.00 0.00 C ATOM 0 H ALA A 111 5.529 7.119 6.314 1.00 0.00 H new ATOM 0 HA ALA A 111 3.587 4.997 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.190 5.099 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.791 6.702 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.490 6.251 4.044 1.00 0.00 H new ATOM 1705 N VAL A 112 6.824 4.359 5.651 1.00 0.00 N ATOM 1706 CA VAL A 112 7.805 3.283 5.729 1.00 0.00 C ATOM 1707 C VAL A 112 7.726 2.607 7.094 1.00 0.00 C ATOM 1708 O VAL A 112 7.997 1.416 7.239 1.00 0.00 O ATOM 1709 CB VAL A 112 9.238 3.794 5.508 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.229 2.642 5.592 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.356 4.511 4.168 1.00 0.00 C ATOM 0 H VAL A 112 7.217 5.281 5.461 1.00 0.00 H new ATOM 0 HA VAL A 112 7.570 2.572 4.937 1.00 0.00 H new ATOM 0 HB VAL A 112 9.474 4.510 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.239 3.019 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.165 2.178 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.993 1.903 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.378 4.864 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.101 3.822 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.673 5.361 4.149 1.00 0.00 H new ATOM 1721 N ALA A 113 7.333 3.378 8.090 1.00 0.00 N ATOM 1722 CA ALA A 113 7.189 2.859 9.439 1.00 0.00 C ATOM 1723 C ALA A 113 6.079 1.818 9.473 1.00 0.00 C ATOM 1724 O ALA A 113 6.244 0.727 10.017 1.00 0.00 O ATOM 1725 CB ALA A 113 6.875 3.988 10.406 1.00 0.00 C ATOM 0 H ALA A 113 7.107 4.368 7.991 1.00 0.00 H new ATOM 0 HA ALA A 113 8.126 2.392 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.770 3.585 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.685 4.717 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 113 5.945 4.473 10.110 1.00 0.00 H new ATOM 1731 N LEU A 114 4.947 2.180 8.881 1.00 0.00 N ATOM 1732 CA LEU A 114 3.784 1.308 8.821 1.00 0.00 C ATOM 1733 C LEU A 114 3.987 0.173 7.816 1.00 0.00 C ATOM 1734 O LEU A 114 3.309 -0.849 7.881 1.00 0.00 O ATOM 1735 CB LEU A 114 2.537 2.126 8.458 1.00 0.00 C ATOM 1736 CG LEU A 114 1.192 1.513 8.867 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.219 1.064 10.316 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.062 2.510 8.659 1.00 0.00 C ATOM 0 H LEU A 114 4.811 3.085 8.430 1.00 0.00 H new ATOM 0 HA LEU A 114 3.646 0.858 9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.623 3.108 8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.530 2.283 7.379 1.00 0.00 H new ATOM 0 HG LEU A 114 1.018 0.643 8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.254 0.633 10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.000 0.316 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.423 1.921 10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.883 2.055 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.244 3.397 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.015 2.793 7.607 1.00 0.00 H new ATOM 1750 N VAL A 115 4.917 0.359 6.880 1.00 0.00 N ATOM 1751 CA VAL A 115 5.180 -0.661 5.869 1.00 0.00 C ATOM 1752 C VAL A 115 6.034 -1.795 6.427 1.00 0.00 C ATOM 1753 O VAL A 115 5.764 -2.969 6.174 1.00 0.00 O ATOM 1754 CB VAL A 115 5.861 -0.075 4.607 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.361 0.091 4.807 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.582 -0.957 3.400 1.00 0.00 C ATOM 0 H VAL A 115 5.494 1.196 6.802 1.00 0.00 H new ATOM 0 HA VAL A 115 4.207 -1.057 5.580 1.00 0.00 H new ATOM 0 HB VAL A 115 5.439 0.914 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.805 0.504 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.544 0.767 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.809 -0.879 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.066 -0.534 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.973 -1.958 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.507 -1.013 3.231 1.00 0.00 H new ATOM 1766 N GLU A 116 7.064 -1.436 7.184 1.00 0.00 N ATOM 1767 CA GLU A 116 7.960 -2.421 7.774 1.00 0.00 C ATOM 1768 C GLU A 116 7.238 -3.271 8.812 1.00 0.00 C ATOM 1769 O GLU A 116 7.420 -4.486 8.868 1.00 0.00 O ATOM 1770 CB GLU A 116 9.163 -1.724 8.408 1.00 0.00 C ATOM 1771 CG GLU A 116 10.121 -1.128 7.390 1.00 0.00 C ATOM 1772 CD GLU A 116 11.455 -0.746 8.000 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.524 0.309 8.663 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.428 -1.506 7.817 1.00 0.00 O ATOM 0 H GLU A 116 7.299 -0.468 7.404 1.00 0.00 H new ATOM 0 HA GLU A 116 8.307 -3.082 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.808 -0.933 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.703 -2.440 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.285 -1.846 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.665 -0.246 6.940 1.00 0.00 H new ATOM 1781 N ARG A 117 6.412 -2.626 9.628 1.00 0.00 N ATOM 1782 CA ARG A 117 5.661 -3.330 10.659 1.00 0.00 C ATOM 1783 C ARG A 117 4.731 -4.364 10.035 1.00 0.00 C ATOM 1784 O ARG A 117 4.368 -5.354 10.670 1.00 0.00 O ATOM 1785 CB ARG A 117 4.853 -2.342 11.500 1.00 0.00 C ATOM 1786 CG ARG A 117 5.717 -1.373 12.292 1.00 0.00 C ATOM 1787 CD ARG A 117 4.888 -0.247 12.892 1.00 0.00 C ATOM 1788 NE ARG A 117 3.974 -0.727 13.927 1.00 0.00 N ATOM 1789 CZ ARG A 117 2.672 -0.936 13.737 1.00 0.00 C ATOM 1790 NH1 ARG A 117 2.122 -0.729 12.546 1.00 0.00 N ATOM 1791 NH2 ARG A 117 1.916 -1.358 14.742 1.00 0.00 N ATOM 0 H ARG A 117 6.246 -1.620 9.595 1.00 0.00 H new ATOM 0 HA ARG A 117 6.372 -3.845 11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.192 -1.775 10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.218 -2.898 12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.232 -1.911 13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.485 -0.954 11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.553 0.505 13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.317 0.242 12.103 1.00 0.00 H new ATOM 0 HE ARG A 117 4.357 -0.914 14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.697 -0.407 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.124 -0.892 12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.332 -1.522 15.659 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.919 -1.518 14.598 1.00 0.00 H new ATOM 1805 N ALA A 118 4.350 -4.121 8.790 1.00 0.00 N ATOM 1806 CA ALA A 118 3.462 -5.019 8.070 1.00 0.00 C ATOM 1807 C ALA A 118 4.182 -6.303 7.663 1.00 0.00 C ATOM 1808 O ALA A 118 3.619 -7.392 7.761 1.00 0.00 O ATOM 1809 CB ALA A 118 2.873 -4.305 6.862 1.00 0.00 C ATOM 0 H ALA A 118 4.645 -3.304 8.255 1.00 0.00 H new ATOM 0 HA ALA A 118 2.646 -5.308 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.209 -4.983 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.310 -3.432 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.678 -3.987 6.199 1.00 0.00 H new ATOM 1815 N ILE A 119 5.433 -6.176 7.224 1.00 0.00 N ATOM 1816 CA ILE A 119 6.214 -7.341 6.829 1.00 0.00 C ATOM 1817 C ILE A 119 6.690 -8.108 8.053 1.00 0.00 C ATOM 1818 O ILE A 119 6.870 -9.324 8.011 1.00 0.00 O ATOM 1819 CB ILE A 119 7.449 -6.947 6.000 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.085 -5.939 4.914 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.096 -8.177 5.383 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.152 -4.890 4.719 1.00 0.00 C ATOM 0 H ILE A 119 5.922 -5.285 7.134 1.00 0.00 H new ATOM 0 HA ILE A 119 5.558 -7.965 6.221 1.00 0.00 H new ATOM 0 HB ILE A 119 8.165 -6.477 6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.922 -6.466 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.145 -5.453 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.967 -7.877 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.406 -8.860 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.379 -8.677 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.843 -4.198 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.298 -4.342 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.087 -5.371 4.431 1.00 0.00 H new ATOM 1834 N SER A 120 6.906 -7.374 9.137 1.00 0.00 N ATOM 1835 CA SER A 120 7.383 -7.951 10.388 1.00 0.00 C ATOM 1836 C SER A 120 6.338 -8.865 11.018 1.00 0.00 C ATOM 1837 O SER A 120 6.661 -9.949 11.503 1.00 0.00 O ATOM 1838 CB SER A 120 7.757 -6.839 11.365 1.00 0.00 C ATOM 1839 OG SER A 120 6.611 -6.114 11.776 1.00 0.00 O ATOM 0 H SER A 120 6.756 -6.366 9.174 1.00 0.00 H new ATOM 0 HA SER A 120 8.264 -8.553 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.252 -7.268 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.470 -6.162 10.895 1.00 0.00 H new ATOM 0 HG SER A 120 5.916 -6.184 11.089 1.00 0.00 H new ATOM 1845 N HIS A 121 5.086 -8.423 11.016 1.00 0.00 N ATOM 1846 CA HIS A 121 4.005 -9.210 11.594 1.00 0.00 C ATOM 1847 C HIS A 121 3.766 -10.483 10.788 1.00 0.00 C ATOM 1848 O HIS A 121 3.244 -11.472 11.304 1.00 0.00 O ATOM 1849 CB HIS A 121 2.725 -8.378 11.666 1.00 0.00 C ATOM 1850 CG HIS A 121 2.614 -7.567 12.921 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.082 -6.273 13.025 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.088 -7.872 14.131 1.00 0.00 C ATOM 1853 CE1 HIS A 121 2.848 -5.818 14.243 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.246 -6.769 14.933 1.00 0.00 N ATOM 0 H HIS A 121 4.796 -7.528 10.622 1.00 0.00 H new ATOM 0 HA HIS A 121 4.295 -9.498 12.604 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.685 -7.710 10.806 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.864 -9.042 11.594 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.538 -5.749 12.278 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.630 -8.808 14.413 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.105 -4.836 14.611 1.00 0.00 H new