USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 748 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 53 HIS : no HE2:sc= -1.24 K(o=-0.56,f=-4.3!) USER MOD Set 1.2: A 94 SER OG : rot 150:sc= 0.681 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.912 K(o=2.2,f=-4.8!) USER MOD Set 2.2: A 119 THR OG1 : rot 83:sc= 1.29 USER MOD Set 3.1: A 64 MET CE :methyl -175:sc= -0.14 (180deg=-0.188) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.1 K(o=0.96,f=-0.42) USER MOD Set 4.1: A 28 HIS : no HE2:sc= 1.14 K(o=1.7,f=-10!) USER MOD Set 4.2: A 40 SER OG : rot 160:sc= 0.591 USER MOD Set 5.1: A 22 TYR OH : rot -132:sc= 0.759 USER MOD Set 5.2: A 102 HIS : no HE2:sc= -0.731 X(o=1.6,f=1.2) USER MOD Set 5.3: A 105 SER OG : rot -122:sc= 1.62 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 64:sc= 1.15 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 2.12 (180deg=0.627) USER MOD Single : A 47 TYR OH : rot 157:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.18 (180deg=0.0132) USER MOD Single : A 61 SER OG : rot -70:sc= 1.23 USER MOD Single : A 65 GLN : amide:sc= 0.323 X(o=0.32,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.827) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.4 USER MOD Single : A 73 CYS SG : rot 158:sc= 1.31 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 70:sc=-0.00214 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 23:sc= 0.104 USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= 0.735 (180deg=0.0457) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.04) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.301 10.699 5.372 1.00 0.00 N ATOM 57 CA ASP A 5 7.172 10.434 4.483 1.00 0.00 C ATOM 58 C ASP A 5 7.655 10.490 3.034 1.00 0.00 C ATOM 59 O ASP A 5 8.649 11.160 2.745 1.00 0.00 O ATOM 60 CB ASP A 5 6.078 11.485 4.719 1.00 0.00 C ATOM 61 CG ASP A 5 4.899 11.278 3.759 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.074 10.374 4.008 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.828 11.994 2.738 1.00 0.00 O ATOM 0 HA ASP A 5 6.760 9.446 4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.727 11.425 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.493 12.484 4.581 1.00 0.00 H new ATOM 68 N LEU A 6 6.944 9.813 2.125 1.00 0.00 N ATOM 69 CA LEU A 6 7.245 9.769 0.697 1.00 0.00 C ATOM 70 C LEU A 6 7.457 11.157 0.084 1.00 0.00 C ATOM 71 O LEU A 6 8.277 11.297 -0.822 1.00 0.00 O ATOM 72 CB LEU A 6 6.102 9.072 -0.062 1.00 0.00 C ATOM 73 CG LEU A 6 5.949 7.549 0.118 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.823 7.058 -0.802 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.232 6.767 -0.188 1.00 0.00 C ATOM 0 H LEU A 6 6.120 9.266 2.374 1.00 0.00 H new ATOM 0 HA LEU A 6 8.177 9.213 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.165 9.541 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.233 9.273 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 6 5.717 7.368 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.702 5.981 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.892 7.558 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.074 7.286 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.053 5.702 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.529 6.946 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.027 7.097 0.481 1.00 0.00 H new ATOM 87 N ALA A 7 6.746 12.183 0.559 1.00 0.00 N ATOM 88 CA ALA A 7 6.837 13.534 0.021 1.00 0.00 C ATOM 89 C ALA A 7 8.228 14.153 0.216 1.00 0.00 C ATOM 90 O ALA A 7 8.599 15.065 -0.524 1.00 0.00 O ATOM 91 CB ALA A 7 5.771 14.424 0.670 1.00 0.00 C ATOM 0 H ALA A 7 6.088 12.094 1.333 1.00 0.00 H new ATOM 0 HA ALA A 7 6.664 13.468 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.843 15.433 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.781 14.018 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.929 14.454 1.748 1.00 0.00 H new ATOM 97 N LEU A 8 8.996 13.682 1.207 1.00 0.00 N ATOM 98 CA LEU A 8 10.334 14.194 1.499 1.00 0.00 C ATOM 99 C LEU A 8 11.371 13.638 0.516 1.00 0.00 C ATOM 100 O LEU A 8 12.465 14.194 0.407 1.00 0.00 O ATOM 101 CB LEU A 8 10.750 13.839 2.939 1.00 0.00 C ATOM 102 CG LEU A 8 9.795 14.331 4.047 1.00 0.00 C ATOM 103 CD1 LEU A 8 10.375 13.970 5.420 1.00 0.00 C ATOM 104 CD2 LEU A 8 9.543 15.843 3.992 1.00 0.00 C ATOM 0 H LEU A 8 8.701 12.930 1.830 1.00 0.00 H new ATOM 0 HA LEU A 8 10.298 15.278 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.840 12.755 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.740 14.255 3.126 1.00 0.00 H new ATOM 0 HG LEU A 8 8.838 13.835 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.701 14.317 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.490 12.889 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.348 14.447 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.864 16.128 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.488 16.374 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.098 16.103 3.032 1.00 0.00 H new ATOM 116 N ILE A 9 11.065 12.527 -0.161 1.00 0.00 N ATOM 117 CA ILE A 9 12.004 11.815 -1.021 1.00 0.00 C ATOM 118 C ILE A 9 12.321 12.704 -2.242 1.00 0.00 C ATOM 119 O ILE A 9 11.381 13.226 -2.849 1.00 0.00 O ATOM 120 CB ILE A 9 11.403 10.447 -1.421 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.120 9.623 -0.138 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.341 9.693 -2.379 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.569 8.221 -0.388 1.00 0.00 C ATOM 0 H ILE A 9 10.142 12.094 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 9 12.940 11.612 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 9 10.465 10.605 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.044 9.539 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.411 10.172 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.895 8.734 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.493 10.286 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.301 9.524 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.402 7.720 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.626 8.292 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.285 7.649 -0.978 1.00 0.00 H new ATOM 135 N PRO A 10 13.602 12.877 -2.634 1.00 0.00 N ATOM 136 CA PRO A 10 13.985 13.523 -3.888 1.00 0.00 C ATOM 137 C PRO A 10 13.313 12.838 -5.084 1.00 0.00 C ATOM 138 O PRO A 10 13.626 11.689 -5.407 1.00 0.00 O ATOM 139 CB PRO A 10 15.518 13.454 -3.960 1.00 0.00 C ATOM 140 CG PRO A 10 15.939 13.287 -2.502 1.00 0.00 C ATOM 141 CD PRO A 10 14.793 12.480 -1.897 1.00 0.00 C ATOM 0 HA PRO A 10 13.654 14.561 -3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.853 12.617 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.940 14.359 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.890 12.762 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.060 14.250 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.974 11.409 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.684 12.691 -0.833 1.00 0.00 H new ATOM 149 N ASP A 11 12.378 13.527 -5.738 1.00 0.00 N ATOM 150 CA ASP A 11 11.516 12.936 -6.765 1.00 0.00 C ATOM 151 C ASP A 11 12.271 12.689 -8.075 1.00 0.00 C ATOM 152 O ASP A 11 12.085 11.667 -8.737 1.00 0.00 O ATOM 153 CB ASP A 11 10.327 13.868 -7.009 1.00 0.00 C ATOM 154 CG ASP A 11 9.266 13.203 -7.882 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.751 12.137 -7.481 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.870 13.779 -8.917 1.00 0.00 O ATOM 0 H ASP A 11 12.195 14.516 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 11 11.169 11.966 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.887 14.155 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.673 14.783 -7.489 1.00 0.00 H new ATOM 161 N VAL A 12 13.210 13.584 -8.394 1.00 0.00 N ATOM 162 CA VAL A 12 14.064 13.540 -9.575 1.00 0.00 C ATOM 163 C VAL A 12 15.465 13.915 -9.104 1.00 0.00 C ATOM 164 O VAL A 12 15.626 14.875 -8.346 1.00 0.00 O ATOM 165 CB VAL A 12 13.566 14.541 -10.643 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.415 14.488 -11.922 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.114 14.275 -11.045 1.00 0.00 C ATOM 0 H VAL A 12 13.401 14.395 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 12 14.052 12.551 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 12 13.651 15.523 -10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.030 15.207 -12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.450 14.733 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.369 13.486 -12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.806 15.001 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.029 13.269 -11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.472 14.365 -10.169 1.00 0.00 H new ATOM 177 N ASP A 13 16.472 13.167 -9.553 1.00 0.00 N ATOM 178 CA ASP A 13 17.872 13.522 -9.377 1.00 0.00 C ATOM 179 C ASP A 13 18.639 12.771 -10.456 1.00 0.00 C ATOM 180 O ASP A 13 18.567 11.543 -10.513 1.00 0.00 O ATOM 181 CB ASP A 13 18.393 13.148 -7.982 1.00 0.00 C ATOM 182 CG ASP A 13 19.822 13.674 -7.777 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.104 14.845 -8.115 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.665 12.922 -7.242 1.00 0.00 O ATOM 0 H ASP A 13 16.333 12.289 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 13 18.003 14.601 -9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.734 13.563 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.378 12.065 -7.861 1.00 0.00 H new ATOM 189 N ILE A 14 19.300 13.502 -11.352 1.00 0.00 N ATOM 190 CA ILE A 14 20.028 12.959 -12.491 1.00 0.00 C ATOM 191 C ILE A 14 21.301 13.787 -12.683 1.00 0.00 C ATOM 192 O ILE A 14 21.358 14.952 -12.275 1.00 0.00 O ATOM 193 CB ILE A 14 19.154 12.931 -13.775 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.537 14.305 -14.134 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.053 11.859 -13.672 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.960 14.364 -15.554 1.00 0.00 C ATOM 0 H ILE A 14 19.343 14.520 -11.301 1.00 0.00 H new ATOM 0 HA ILE A 14 20.295 11.921 -12.294 1.00 0.00 H new ATOM 0 HB ILE A 14 19.832 12.673 -14.589 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.747 14.538 -13.420 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.300 15.076 -14.028 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.456 11.861 -14.584 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.511 10.879 -13.540 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.411 12.077 -12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.545 15.355 -15.737 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.751 14.163 -16.277 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.174 13.616 -15.659 1.00 0.00 H new ATOM 266 N PHE A 20 24.522 8.720 -20.158 1.00 0.00 N ATOM 267 CA PHE A 20 24.540 7.788 -19.037 1.00 0.00 C ATOM 268 C PHE A 20 23.285 6.928 -19.001 1.00 0.00 C ATOM 269 O PHE A 20 22.319 7.183 -19.720 1.00 0.00 O ATOM 270 CB PHE A 20 24.697 8.580 -17.729 1.00 0.00 C ATOM 271 CG PHE A 20 23.768 9.768 -17.531 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.475 9.587 -17.006 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.216 11.068 -17.841 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.637 10.696 -16.794 1.00 0.00 C ATOM 275 CE2 PHE A 20 23.371 12.173 -17.648 1.00 0.00 C ATOM 276 CZ PHE A 20 22.081 11.988 -17.120 1.00 0.00 C ATOM 0 HA PHE A 20 25.385 7.110 -19.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.551 7.892 -16.896 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.725 8.939 -17.670 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.125 8.594 -16.765 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.213 11.215 -18.229 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.650 10.554 -16.380 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.712 13.165 -17.905 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.433 12.838 -16.965 1.00 0.00 H new ATOM 286 N LYS A 21 23.293 5.898 -18.155 1.00 0.00 N ATOM 287 CA LYS A 21 22.150 5.012 -17.975 1.00 0.00 C ATOM 288 C LYS A 21 21.291 5.520 -16.820 1.00 0.00 C ATOM 289 O LYS A 21 21.763 6.267 -15.959 1.00 0.00 O ATOM 290 CB LYS A 21 22.636 3.577 -17.724 1.00 0.00 C ATOM 291 CG LYS A 21 23.341 2.992 -18.959 1.00 0.00 C ATOM 292 CD LYS A 21 23.957 1.626 -18.645 1.00 0.00 C ATOM 293 CE LYS A 21 24.730 1.104 -19.865 1.00 0.00 C ATOM 294 NZ LYS A 21 25.449 -0.161 -19.576 1.00 0.00 N ATOM 0 H LYS A 21 24.096 5.656 -17.575 1.00 0.00 H new ATOM 0 HA LYS A 21 21.540 5.005 -18.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.320 3.568 -16.876 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.788 2.947 -17.456 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.627 2.893 -19.777 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.119 3.677 -19.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.626 1.708 -17.788 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.174 0.919 -18.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.037 0.945 -20.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.445 1.860 -20.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.088 -0.386 -20.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.003 -0.054 -18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.761 -0.932 -19.457 1.00 0.00 H new ATOM 308 N TYR A 22 20.032 5.096 -16.793 1.00 0.00 N ATOM 309 CA TYR A 22 19.029 5.522 -15.829 1.00 0.00 C ATOM 310 C TYR A 22 18.222 4.300 -15.378 1.00 0.00 C ATOM 311 O TYR A 22 18.279 3.233 -16.009 1.00 0.00 O ATOM 312 CB TYR A 22 18.179 6.659 -16.446 1.00 0.00 C ATOM 313 CG TYR A 22 16.679 6.440 -16.481 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.164 5.421 -17.294 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.806 7.207 -15.685 1.00 0.00 C ATOM 316 CE1 TYR A 22 14.794 5.141 -17.301 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.421 6.968 -15.732 1.00 0.00 C ATOM 318 CZ TYR A 22 13.909 5.946 -16.558 1.00 0.00 C ATOM 319 OH TYR A 22 12.568 5.780 -16.702 1.00 0.00 O ATOM 0 H TYR A 22 19.671 4.421 -17.468 1.00 0.00 H new ATOM 0 HA TYR A 22 19.482 5.939 -14.930 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.377 7.574 -15.888 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.523 6.827 -17.467 1.00 0.00 H new ATOM 0 HD1 TYR A 22 16.831 4.847 -17.920 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.200 7.978 -15.039 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.415 4.309 -17.875 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.749 7.567 -15.135 1.00 0.00 H new ATOM 0 HH TYR A 22 12.142 6.653 -16.828 1.00 0.00 H new ATOM 329 N VAL A 23 17.456 4.464 -14.301 1.00 0.00 N ATOM 330 CA VAL A 23 16.526 3.477 -13.783 1.00 0.00 C ATOM 331 C VAL A 23 15.323 4.230 -13.193 1.00 0.00 C ATOM 332 O VAL A 23 15.434 5.396 -12.796 1.00 0.00 O ATOM 333 CB VAL A 23 17.266 2.553 -12.785 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.550 3.229 -11.436 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.534 1.226 -12.550 1.00 0.00 C ATOM 0 H VAL A 23 17.471 5.321 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 23 16.138 2.816 -14.558 1.00 0.00 H new ATOM 0 HB VAL A 23 18.221 2.340 -13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.070 2.530 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.172 4.110 -11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.609 3.528 -10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.099 0.619 -11.842 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.541 1.425 -12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.441 0.690 -13.494 1.00 0.00 H new ATOM 345 N LEU A 24 14.180 3.548 -13.110 1.00 0.00 N ATOM 346 CA LEU A 24 12.943 4.068 -12.547 1.00 0.00 C ATOM 347 C LEU A 24 12.586 3.110 -11.422 1.00 0.00 C ATOM 348 O LEU A 24 12.437 1.913 -11.686 1.00 0.00 O ATOM 349 CB LEU A 24 11.877 4.105 -13.656 1.00 0.00 C ATOM 350 CG LEU A 24 10.594 4.896 -13.335 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.693 4.917 -14.575 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.792 4.306 -12.172 1.00 0.00 C ATOM 0 H LEU A 24 14.092 2.589 -13.445 1.00 0.00 H new ATOM 0 HA LEU A 24 13.025 5.084 -12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.328 4.531 -14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.597 3.080 -13.897 1.00 0.00 H new ATOM 0 HG LEU A 24 10.910 5.898 -13.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.783 5.475 -14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.221 5.395 -15.400 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.433 3.896 -14.853 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.902 4.911 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.495 3.286 -12.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.407 4.300 -11.272 1.00 0.00 H new ATOM 364 N ILE A 25 12.471 3.597 -10.184 1.00 0.00 N ATOM 365 CA ILE A 25 12.185 2.738 -9.040 1.00 0.00 C ATOM 366 C ILE A 25 10.887 3.189 -8.371 1.00 0.00 C ATOM 367 O ILE A 25 10.651 4.384 -8.191 1.00 0.00 O ATOM 368 CB ILE A 25 13.410 2.538 -8.097 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.280 3.182 -6.701 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.778 2.909 -8.725 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.314 2.671 -5.692 1.00 0.00 C ATOM 0 H ILE A 25 12.572 4.585 -9.951 1.00 0.00 H new ATOM 0 HA ILE A 25 12.006 1.721 -9.388 1.00 0.00 H new ATOM 0 HB ILE A 25 13.393 1.458 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.382 4.263 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.280 2.990 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.571 2.738 -7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.954 2.291 -9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.772 3.960 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.163 3.167 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.198 1.595 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.318 2.888 -6.058 1.00 0.00 H new ATOM 383 N ARG A 26 10.036 2.223 -8.027 1.00 0.00 N ATOM 384 CA ARG A 26 8.855 2.412 -7.198 1.00 0.00 C ATOM 385 C ARG A 26 9.301 2.369 -5.742 1.00 0.00 C ATOM 386 O ARG A 26 10.248 1.653 -5.416 1.00 0.00 O ATOM 387 CB ARG A 26 7.862 1.280 -7.497 1.00 0.00 C ATOM 388 CG ARG A 26 6.474 1.495 -6.871 1.00 0.00 C ATOM 389 CD ARG A 26 5.528 0.341 -7.220 1.00 0.00 C ATOM 390 NE ARG A 26 5.925 -0.897 -6.527 1.00 0.00 N ATOM 391 CZ ARG A 26 5.818 -2.156 -6.969 1.00 0.00 C ATOM 392 NH1 ARG A 26 5.381 -2.424 -8.196 1.00 0.00 N ATOM 393 NH2 ARG A 26 6.152 -3.141 -6.144 1.00 0.00 N ATOM 0 H ARG A 26 10.157 1.257 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 26 8.368 3.366 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.752 1.180 -8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.275 0.340 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.569 1.577 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.053 2.435 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.508 0.606 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.532 0.176 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 26 6.330 -0.781 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.119 -1.662 -8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.308 -3.391 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.480 -2.928 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.081 -4.111 -6.452 1.00 0.00 H new ATOM 407 N VAL A 27 8.586 3.069 -4.872 1.00 0.00 N ATOM 408 CA VAL A 27 8.855 3.201 -3.453 1.00 0.00 C ATOM 409 C VAL A 27 7.499 3.074 -2.750 1.00 0.00 C ATOM 410 O VAL A 27 6.502 3.611 -3.243 1.00 0.00 O ATOM 411 CB VAL A 27 9.505 4.580 -3.184 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.020 4.674 -1.743 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.673 4.925 -4.127 1.00 0.00 C ATOM 0 H VAL A 27 7.756 3.588 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 27 9.545 2.441 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 27 8.705 5.298 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.472 5.653 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.189 4.539 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.766 3.898 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.070 5.907 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.459 4.177 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.318 4.936 -5.157 1.00 0.00 H new ATOM 423 N HIS A 28 7.461 2.391 -1.608 1.00 0.00 N ATOM 424 CA HIS A 28 6.271 2.182 -0.785 1.00 0.00 C ATOM 425 C HIS A 28 6.450 2.921 0.542 1.00 0.00 C ATOM 426 O HIS A 28 7.572 3.023 1.050 1.00 0.00 O ATOM 427 CB HIS A 28 6.091 0.679 -0.546 1.00 0.00 C ATOM 428 CG HIS A 28 5.862 -0.110 -1.813 1.00 0.00 C ATOM 429 ND1 HIS A 28 4.712 -0.115 -2.566 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.748 -0.954 -2.431 1.00 0.00 C ATOM 431 CE1 HIS A 28 4.886 -0.958 -3.590 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.125 -1.488 -3.569 1.00 0.00 N ATOM 0 H HIS A 28 8.292 1.950 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 28 5.384 2.569 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.976 0.291 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.247 0.525 0.126 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.871 0.430 -2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.753 -1.171 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.135 -1.183 -4.333 1.00 0.00 H new ATOM 440 N SER A 29 5.350 3.429 1.103 1.00 0.00 N ATOM 441 CA SER A 29 5.343 4.167 2.360 1.00 0.00 C ATOM 442 C SER A 29 5.722 3.252 3.531 1.00 0.00 C ATOM 443 O SER A 29 4.882 2.545 4.089 1.00 0.00 O ATOM 444 CB SER A 29 3.982 4.817 2.631 1.00 0.00 C ATOM 445 OG SER A 29 3.541 5.636 1.574 1.00 0.00 O ATOM 0 H SER A 29 4.424 3.335 0.685 1.00 0.00 H new ATOM 0 HA SER A 29 6.086 4.959 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.243 4.037 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.045 5.412 3.542 1.00 0.00 H new ATOM 0 HG SER A 29 3.399 5.089 0.774 1.00 0.00 H new ATOM 451 N ALA A 30 7.002 3.269 3.891 1.00 0.00 N ATOM 452 CA ALA A 30 7.541 2.670 5.098 1.00 0.00 C ATOM 453 C ALA A 30 8.687 3.485 5.751 1.00 0.00 C ATOM 454 O ALA A 30 9.316 2.911 6.642 1.00 0.00 O ATOM 455 CB ALA A 30 7.938 1.212 4.805 1.00 0.00 C ATOM 0 H ALA A 30 7.718 3.721 3.323 1.00 0.00 H new ATOM 0 HA ALA A 30 6.755 2.681 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.344 0.757 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.060 0.654 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.692 1.191 4.018 1.00 0.00 H new ATOM 461 N PRO A 31 9.014 4.762 5.401 1.00 0.00 N ATOM 462 CA PRO A 31 10.039 5.509 6.127 1.00 0.00 C ATOM 463 C PRO A 31 9.945 5.386 7.655 1.00 0.00 C ATOM 464 O PRO A 31 8.861 5.450 8.243 1.00 0.00 O ATOM 465 CB PRO A 31 9.929 6.964 5.686 1.00 0.00 C ATOM 466 CG PRO A 31 9.358 6.889 4.282 1.00 0.00 C ATOM 467 CD PRO A 31 8.524 5.607 4.305 1.00 0.00 C ATOM 0 HA PRO A 31 11.013 5.085 5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.278 7.533 6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.901 7.457 5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.747 7.761 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.146 6.842 3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.469 5.842 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.607 5.082 3.353 1.00 0.00 H new ATOM 475 N ARG A 32 11.112 5.208 8.284 1.00 0.00 N ATOM 476 CA ARG A 32 11.337 4.992 9.717 1.00 0.00 C ATOM 477 C ARG A 32 10.420 3.926 10.337 1.00 0.00 C ATOM 478 O ARG A 32 10.211 3.938 11.551 1.00 0.00 O ATOM 479 CB ARG A 32 11.288 6.345 10.456 1.00 0.00 C ATOM 480 CG ARG A 32 12.198 7.446 9.876 1.00 0.00 C ATOM 481 CD ARG A 32 13.688 7.079 9.858 1.00 0.00 C ATOM 482 NE ARG A 32 14.528 8.259 9.576 1.00 0.00 N ATOM 483 CZ ARG A 32 14.632 8.916 8.414 1.00 0.00 C ATOM 484 NH1 ARG A 32 14.032 8.464 7.313 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.339 10.040 8.360 1.00 0.00 N ATOM 0 H ARG A 32 11.990 5.212 7.765 1.00 0.00 H new ATOM 0 HA ARG A 32 12.335 4.570 9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.260 6.706 10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.563 6.181 11.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.877 7.670 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.066 8.357 10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.971 6.650 10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.867 6.314 9.103 1.00 0.00 H new ATOM 0 HE ARG A 32 15.090 8.612 10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.483 7.605 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.122 8.977 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.797 10.395 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.424 10.547 7.479 1.00 0.00 H new ATOM 499 N SER A 33 9.869 3.014 9.527 1.00 0.00 N ATOM 500 CA SER A 33 8.861 2.036 9.926 1.00 0.00 C ATOM 501 C SER A 33 7.679 2.688 10.672 1.00 0.00 C ATOM 502 O SER A 33 7.083 2.066 11.555 1.00 0.00 O ATOM 503 CB SER A 33 9.533 0.890 10.705 1.00 0.00 C ATOM 504 OG SER A 33 10.665 0.388 10.007 1.00 0.00 O ATOM 0 H SER A 33 10.125 2.938 8.542 1.00 0.00 H new ATOM 0 HA SER A 33 8.412 1.602 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.838 1.246 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.815 0.086 10.865 1.00 0.00 H new ATOM 0 HG SER A 33 11.073 -0.337 10.525 1.00 0.00 H new ATOM 510 N GLY A 34 7.347 3.946 10.343 1.00 0.00 N ATOM 511 CA GLY A 34 6.372 4.741 11.087 1.00 0.00 C ATOM 512 C GLY A 34 5.602 5.742 10.226 1.00 0.00 C ATOM 513 O GLY A 34 4.828 6.528 10.776 1.00 0.00 O ATOM 0 H GLY A 34 7.753 4.438 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.662 4.069 11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.888 5.281 11.881 1.00 0.00 H new ATOM 551 N ALA A 38 0.274 3.470 3.491 1.00 0.00 N ATOM 552 CA ALA A 38 0.908 2.488 2.609 1.00 0.00 C ATOM 553 C ALA A 38 0.681 2.876 1.144 1.00 0.00 C ATOM 554 O ALA A 38 0.444 2.020 0.287 1.00 0.00 O ATOM 555 CB ALA A 38 0.441 1.068 2.938 1.00 0.00 C ATOM 0 HA ALA A 38 1.985 2.493 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.928 0.360 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.701 0.829 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.640 1.002 2.812 1.00 0.00 H new ATOM 561 N GLU A 39 0.712 4.182 0.865 1.00 0.00 N ATOM 562 CA GLU A 39 0.727 4.685 -0.502 1.00 0.00 C ATOM 563 C GLU A 39 2.076 4.349 -1.157 1.00 0.00 C ATOM 564 O GLU A 39 3.028 3.963 -0.466 1.00 0.00 O ATOM 565 CB GLU A 39 0.456 6.200 -0.518 1.00 0.00 C ATOM 566 CG GLU A 39 -0.957 6.546 -0.024 1.00 0.00 C ATOM 567 CD GLU A 39 -1.252 8.050 -0.168 1.00 0.00 C ATOM 568 OE1 GLU A 39 -0.972 8.827 0.772 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.792 8.471 -1.217 1.00 0.00 O ATOM 0 H GLU A 39 0.727 4.912 1.578 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.065 4.204 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.191 6.705 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.587 6.579 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.692 5.974 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.061 6.252 1.021 1.00 0.00 H new ATOM 576 N SER A 40 2.180 4.538 -2.473 1.00 0.00 N ATOM 577 CA SER A 40 3.391 4.267 -3.241 1.00 0.00 C ATOM 578 C SER A 40 3.610 5.376 -4.276 1.00 0.00 C ATOM 579 O SER A 40 2.662 6.072 -4.656 1.00 0.00 O ATOM 580 CB SER A 40 3.294 2.895 -3.927 1.00 0.00 C ATOM 581 OG SER A 40 2.775 1.897 -3.058 1.00 0.00 O ATOM 0 H SER A 40 1.411 4.890 -3.043 1.00 0.00 H new ATOM 0 HA SER A 40 4.245 4.248 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.657 2.975 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.282 2.594 -4.275 1.00 0.00 H new ATOM 0 HG SER A 40 2.431 1.148 -3.588 1.00 0.00 H new ATOM 587 N LYS A 41 4.854 5.546 -4.725 1.00 0.00 N ATOM 588 CA LYS A 41 5.278 6.570 -5.684 1.00 0.00 C ATOM 589 C LYS A 41 6.481 6.063 -6.470 1.00 0.00 C ATOM 590 O LYS A 41 7.116 5.096 -6.055 1.00 0.00 O ATOM 591 CB LYS A 41 5.565 7.906 -4.965 1.00 0.00 C ATOM 592 CG LYS A 41 6.687 7.886 -3.904 1.00 0.00 C ATOM 593 CD LYS A 41 8.136 8.140 -4.353 1.00 0.00 C ATOM 594 CE LYS A 41 8.484 9.625 -4.560 1.00 0.00 C ATOM 595 NZ LYS A 41 7.927 10.183 -5.818 1.00 0.00 N ATOM 0 H LYS A 41 5.625 4.952 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 41 4.473 6.765 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.820 8.652 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.646 8.240 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.440 8.632 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.659 6.913 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.813 7.720 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.314 7.604 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.107 10.202 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.568 9.741 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.471 11.024 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.986 9.468 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.932 10.448 -5.670 1.00 0.00 H new ATOM 609 N GLU A 42 6.828 6.724 -7.571 1.00 0.00 N ATOM 610 CA GLU A 42 7.985 6.376 -8.391 1.00 0.00 C ATOM 611 C GLU A 42 9.024 7.496 -8.292 1.00 0.00 C ATOM 612 O GLU A 42 8.650 8.645 -8.041 1.00 0.00 O ATOM 613 CB GLU A 42 7.548 6.183 -9.851 1.00 0.00 C ATOM 614 CG GLU A 42 6.653 4.952 -10.088 1.00 0.00 C ATOM 615 CD GLU A 42 5.197 5.142 -9.618 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.485 6.016 -10.164 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.739 4.393 -8.727 1.00 0.00 O ATOM 0 H GLU A 42 6.307 7.527 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 42 8.424 5.445 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.013 7.075 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.437 6.097 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.653 4.713 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.084 4.096 -9.569 1.00 0.00 H new ATOM 624 N ILE A 43 10.303 7.185 -8.519 1.00 0.00 N ATOM 625 CA ILE A 43 11.394 8.157 -8.618 1.00 0.00 C ATOM 626 C ILE A 43 12.285 7.815 -9.817 1.00 0.00 C ATOM 627 O ILE A 43 12.331 6.668 -10.272 1.00 0.00 O ATOM 628 CB ILE A 43 12.214 8.258 -7.307 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.834 6.916 -6.864 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.354 8.864 -6.192 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.744 7.019 -5.631 1.00 0.00 C ATOM 0 H ILE A 43 10.617 6.222 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 43 10.956 9.142 -8.775 1.00 0.00 H new ATOM 0 HB ILE A 43 13.056 8.918 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.031 6.210 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.409 6.503 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.940 8.930 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.027 9.861 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.483 8.232 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.138 6.033 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.570 7.698 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.170 7.400 -4.786 1.00 0.00 H new ATOM 643 N VAL A 44 12.993 8.831 -10.311 1.00 0.00 N ATOM 644 CA VAL A 44 13.776 8.809 -11.544 1.00 0.00 C ATOM 645 C VAL A 44 15.225 9.104 -11.159 1.00 0.00 C ATOM 646 O VAL A 44 15.480 10.131 -10.515 1.00 0.00 O ATOM 647 CB VAL A 44 13.157 9.867 -12.493 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.062 10.288 -13.659 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.813 9.363 -13.047 1.00 0.00 C ATOM 0 H VAL A 44 13.037 9.734 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 44 13.762 7.851 -12.064 1.00 0.00 H new ATOM 0 HB VAL A 44 13.017 10.757 -11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.547 11.030 -14.269 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.984 10.717 -13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.298 9.416 -14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.389 10.115 -13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.972 8.437 -13.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.125 9.179 -12.222 1.00 0.00 H new ATOM 659 N ARG A 45 16.162 8.215 -11.522 1.00 0.00 N ATOM 660 CA ARG A 45 17.593 8.302 -11.201 1.00 0.00 C ATOM 661 C ARG A 45 18.396 7.988 -12.459 1.00 0.00 C ATOM 662 O ARG A 45 17.967 7.156 -13.258 1.00 0.00 O ATOM 663 CB ARG A 45 17.983 7.249 -10.142 1.00 0.00 C ATOM 664 CG ARG A 45 17.323 7.338 -8.760 1.00 0.00 C ATOM 665 CD ARG A 45 17.766 8.556 -7.931 1.00 0.00 C ATOM 666 NE ARG A 45 16.849 9.676 -8.147 1.00 0.00 N ATOM 667 CZ ARG A 45 15.983 10.181 -7.268 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.100 10.000 -5.956 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.953 10.864 -7.731 1.00 0.00 N ATOM 0 H ARG A 45 15.934 7.384 -12.068 1.00 0.00 H new ATOM 0 HA ARG A 45 17.799 9.304 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.763 6.264 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.062 7.302 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.241 7.372 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.550 6.430 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.790 8.295 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.779 8.847 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 45 16.875 10.117 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.878 9.455 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.412 10.406 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.837 10.993 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.273 11.263 -7.084 1.00 0.00 H new ATOM 683 N GLY A 46 19.591 8.556 -12.607 1.00 0.00 N ATOM 684 CA GLY A 46 20.513 8.184 -13.671 1.00 0.00 C ATOM 685 C GLY A 46 21.742 9.070 -13.645 1.00 0.00 C ATOM 686 O GLY A 46 21.609 10.292 -13.549 1.00 0.00 O ATOM 0 H GLY A 46 19.945 9.288 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.807 7.141 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.016 8.270 -14.637 1.00 0.00 H new ATOM 690 N TYR A 47 22.932 8.466 -13.708 1.00 0.00 N ATOM 691 CA TYR A 47 24.191 9.191 -13.578 1.00 0.00 C ATOM 692 C TYR A 47 25.296 8.422 -14.290 1.00 0.00 C ATOM 693 O TYR A 47 25.262 7.192 -14.335 1.00 0.00 O ATOM 694 CB TYR A 47 24.601 9.346 -12.102 1.00 0.00 C ATOM 695 CG TYR A 47 23.508 9.701 -11.110 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.710 8.668 -10.586 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.328 11.022 -10.659 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.751 8.937 -9.598 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.374 11.301 -9.662 1.00 0.00 C ATOM 700 CZ TYR A 47 21.598 10.253 -9.113 1.00 0.00 C ATOM 701 OH TYR A 47 20.738 10.474 -8.084 1.00 0.00 O ATOM 0 H TYR A 47 23.046 7.462 -13.850 1.00 0.00 H new ATOM 0 HA TYR A 47 24.050 10.178 -14.018 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.059 8.411 -11.779 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.371 10.115 -12.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.837 7.658 -10.948 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.921 11.821 -11.078 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.133 8.141 -9.211 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.235 12.315 -9.316 1.00 0.00 H new ATOM 0 HH TYR A 47 20.989 11.300 -7.619 1.00 0.00 H new ATOM 711 N LYS A 48 26.315 9.129 -14.790 1.00 0.00 N ATOM 712 CA LYS A 48 27.440 8.508 -15.493 1.00 0.00 C ATOM 713 C LYS A 48 28.280 7.588 -14.605 1.00 0.00 C ATOM 714 O LYS A 48 28.956 6.712 -15.145 1.00 0.00 O ATOM 715 CB LYS A 48 28.283 9.562 -16.244 1.00 0.00 C ATOM 716 CG LYS A 48 28.765 10.765 -15.413 1.00 0.00 C ATOM 717 CD LYS A 48 29.589 11.716 -16.299 1.00 0.00 C ATOM 718 CE LYS A 48 30.056 12.985 -15.568 1.00 0.00 C ATOM 719 NZ LYS A 48 28.986 14.000 -15.416 1.00 0.00 N ATOM 0 H LYS A 48 26.382 10.144 -14.719 1.00 0.00 H new ATOM 0 HA LYS A 48 27.012 7.846 -16.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.157 9.065 -16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.695 9.938 -17.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.910 11.294 -14.993 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.369 10.420 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.461 11.183 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.991 12.004 -17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.430 12.711 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.890 13.425 -16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.364 14.830 -14.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.644 14.287 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.199 13.595 -14.870 1.00 0.00 H new ATOM 733 N TRP A 49 28.230 7.726 -13.274 1.00 0.00 N ATOM 734 CA TRP A 49 28.897 6.774 -12.391 1.00 0.00 C ATOM 735 C TRP A 49 28.215 5.397 -12.397 1.00 0.00 C ATOM 736 O TRP A 49 28.901 4.400 -12.157 1.00 0.00 O ATOM 737 CB TRP A 49 29.089 7.350 -10.976 1.00 0.00 C ATOM 738 CG TRP A 49 27.928 8.008 -10.282 1.00 0.00 C ATOM 739 CD1 TRP A 49 27.823 9.335 -10.035 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.750 7.407 -9.656 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.686 9.591 -9.297 1.00 0.00 N ATOM 742 CE2 TRP A 49 25.987 8.436 -9.024 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.248 6.094 -9.547 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.798 8.172 -8.326 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.023 5.828 -8.911 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.292 6.863 -8.302 1.00 0.00 C ATOM 0 H TRP A 49 27.739 8.480 -12.794 1.00 0.00 H new ATOM 0 HA TRP A 49 29.897 6.606 -12.791 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.434 6.538 -10.336 1.00 0.00 H new ATOM 0 HB3 TRP A 49 29.896 8.081 -11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.527 10.084 -10.367 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.398 10.521 -8.991 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.817 5.275 -9.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.278 8.968 -7.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.640 4.819 -8.890 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.349 6.653 -7.820 1.00 0.00 H new ATOM 757 N ALA A 50 26.911 5.296 -12.695 1.00 0.00 N ATOM 758 CA ALA A 50 26.239 4.014 -12.840 1.00 0.00 C ATOM 759 C ALA A 50 26.430 3.509 -14.269 1.00 0.00 C ATOM 760 O ALA A 50 25.614 3.766 -15.156 1.00 0.00 O ATOM 761 CB ALA A 50 24.766 4.110 -12.456 1.00 0.00 C ATOM 0 H ALA A 50 26.303 6.102 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 50 26.684 3.293 -12.154 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.294 3.135 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.681 4.429 -11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.269 4.835 -13.100 1.00 0.00 H new ATOM 767 N GLU A 51 27.520 2.776 -14.490 1.00 0.00 N ATOM 768 CA GLU A 51 27.809 2.122 -15.766 1.00 0.00 C ATOM 769 C GLU A 51 26.814 0.987 -16.074 1.00 0.00 C ATOM 770 O GLU A 51 26.826 0.446 -17.182 1.00 0.00 O ATOM 771 CB GLU A 51 29.254 1.594 -15.765 1.00 0.00 C ATOM 772 CG GLU A 51 30.282 2.725 -15.629 1.00 0.00 C ATOM 773 CD GLU A 51 31.723 2.199 -15.760 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.333 1.814 -14.737 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.271 2.182 -16.886 1.00 0.00 O ATOM 0 H GLU A 51 28.235 2.618 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 51 27.697 2.865 -16.556 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.381 0.889 -14.944 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.440 1.045 -16.688 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.098 3.479 -16.395 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.159 3.215 -14.663 1.00 0.00 H new ATOM 782 N TYR A 52 25.952 0.615 -15.123 1.00 0.00 N ATOM 783 CA TYR A 52 24.921 -0.403 -15.263 1.00 0.00 C ATOM 784 C TYR A 52 23.732 -0.005 -14.388 1.00 0.00 C ATOM 785 O TYR A 52 23.914 0.555 -13.306 1.00 0.00 O ATOM 786 CB TYR A 52 25.447 -1.807 -14.903 1.00 0.00 C ATOM 787 CG TYR A 52 26.534 -1.876 -13.846 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.863 -1.593 -14.207 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.232 -2.243 -12.523 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.892 -1.660 -13.250 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.253 -2.324 -11.559 1.00 0.00 C ATOM 792 CZ TYR A 52 28.589 -2.029 -11.918 1.00 0.00 C ATOM 793 OH TYR A 52 29.571 -2.106 -10.976 1.00 0.00 O ATOM 0 H TYR A 52 25.959 1.038 -14.195 1.00 0.00 H new ATOM 0 HA TYR A 52 24.607 -0.460 -16.305 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.604 -2.410 -14.565 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.827 -2.272 -15.813 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.096 -1.322 -15.226 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.212 -2.464 -12.246 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.909 -1.431 -13.531 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.017 -2.611 -10.545 1.00 0.00 H new ATOM 0 HH TYR A 52 29.181 -2.373 -10.118 1.00 0.00 H new ATOM 803 N HIS A 53 22.514 -0.315 -14.841 1.00 0.00 N ATOM 804 CA HIS A 53 21.263 0.069 -14.176 1.00 0.00 C ATOM 805 C HIS A 53 21.168 -0.526 -12.766 1.00 0.00 C ATOM 806 O HIS A 53 20.594 0.087 -11.865 1.00 0.00 O ATOM 807 CB HIS A 53 20.051 -0.385 -15.009 1.00 0.00 C ATOM 808 CG HIS A 53 20.204 -0.166 -16.495 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.887 0.969 -17.205 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.741 -1.064 -17.380 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.256 0.764 -18.483 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.784 -0.466 -18.641 1.00 0.00 N ATOM 0 H HIS A 53 22.366 -0.850 -15.697 1.00 0.00 H new ATOM 0 HA HIS A 53 21.260 1.156 -14.090 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.875 -1.445 -14.826 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.166 0.150 -14.664 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.452 1.812 -16.831 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.074 -2.064 -17.143 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.144 1.488 -19.276 1.00 0.00 H new ATOM 820 N ALA A 54 21.750 -1.712 -12.559 1.00 0.00 N ATOM 821 CA ALA A 54 21.776 -2.346 -11.251 1.00 0.00 C ATOM 822 C ALA A 54 22.549 -1.508 -10.227 1.00 0.00 C ATOM 823 O ALA A 54 22.257 -1.611 -9.038 1.00 0.00 O ATOM 824 CB ALA A 54 22.360 -3.759 -11.361 1.00 0.00 C ATOM 0 H ALA A 54 22.211 -2.250 -13.292 1.00 0.00 H new ATOM 0 HA ALA A 54 20.749 -2.418 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.375 -4.224 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.745 -4.355 -12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.376 -3.703 -11.751 1.00 0.00 H new ATOM 830 N ASP A 55 23.505 -0.671 -10.656 1.00 0.00 N ATOM 831 CA ASP A 55 24.282 0.150 -9.729 1.00 0.00 C ATOM 832 C ASP A 55 23.394 1.213 -9.086 1.00 0.00 C ATOM 833 O ASP A 55 23.358 1.329 -7.861 1.00 0.00 O ATOM 834 CB ASP A 55 25.455 0.842 -10.432 1.00 0.00 C ATOM 835 CG ASP A 55 26.409 1.443 -9.390 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.128 0.675 -8.712 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.457 2.684 -9.263 1.00 0.00 O ATOM 0 H ASP A 55 23.755 -0.548 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 55 24.678 -0.518 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.989 0.126 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.083 1.626 -11.092 1.00 0.00 H new ATOM 842 N ILE A 56 22.628 1.947 -9.905 1.00 0.00 N ATOM 843 CA ILE A 56 21.684 2.948 -9.417 1.00 0.00 C ATOM 844 C ILE A 56 20.559 2.277 -8.639 1.00 0.00 C ATOM 845 O ILE A 56 20.168 2.817 -7.605 1.00 0.00 O ATOM 846 CB ILE A 56 21.110 3.883 -10.520 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.103 3.302 -11.958 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.774 5.262 -10.410 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.864 4.316 -13.079 1.00 0.00 C ATOM 0 H ILE A 56 22.649 1.860 -10.921 1.00 0.00 H new ATOM 0 HA ILE A 56 22.256 3.600 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 56 20.043 3.986 -10.324 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.059 2.809 -12.136 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.332 2.534 -12.017 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.375 5.921 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.569 5.687 -9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.851 5.159 -10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.879 3.805 -14.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.895 4.794 -12.937 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.648 5.073 -13.058 1.00 0.00 H new ATOM 861 N TYR A 57 20.051 1.121 -9.085 1.00 0.00 N ATOM 862 CA TYR A 57 19.002 0.455 -8.329 1.00 0.00 C ATOM 863 C TYR A 57 19.518 0.069 -6.944 1.00 0.00 C ATOM 864 O TYR A 57 18.868 0.400 -5.958 1.00 0.00 O ATOM 865 CB TYR A 57 18.441 -0.771 -9.057 1.00 0.00 C ATOM 866 CG TYR A 57 17.423 -1.517 -8.208 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.292 -0.841 -7.703 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.643 -2.863 -7.856 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.384 -1.506 -6.862 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.736 -3.537 -7.020 1.00 0.00 C ATOM 871 CZ TYR A 57 15.600 -2.859 -6.519 1.00 0.00 C ATOM 872 OH TYR A 57 14.707 -3.492 -5.711 1.00 0.00 O ATOM 0 H TYR A 57 20.343 0.645 -9.939 1.00 0.00 H new ATOM 0 HA TYR A 57 18.179 1.162 -8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.975 -0.457 -9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.258 -1.443 -9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.123 0.193 -7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.514 -3.380 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.521 -0.983 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.906 -4.571 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 57 14.994 -4.418 -5.568 1.00 0.00 H new ATOM 882 N ASP A 58 20.681 -0.579 -6.838 1.00 0.00 N ATOM 883 CA ASP A 58 21.214 -1.019 -5.550 1.00 0.00 C ATOM 884 C ASP A 58 21.500 0.173 -4.634 1.00 0.00 C ATOM 885 O ASP A 58 21.113 0.163 -3.465 1.00 0.00 O ATOM 886 CB ASP A 58 22.489 -1.842 -5.745 1.00 0.00 C ATOM 887 CG ASP A 58 23.084 -2.247 -4.385 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.552 -3.180 -3.743 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.099 -1.652 -3.964 1.00 0.00 O ATOM 0 H ASP A 58 21.273 -0.811 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 58 20.457 -1.645 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.267 -2.734 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.219 -1.263 -6.310 1.00 0.00 H new ATOM 894 N LYS A 59 22.125 1.224 -5.176 1.00 0.00 N ATOM 895 CA LYS A 59 22.429 2.445 -4.437 1.00 0.00 C ATOM 896 C LYS A 59 21.153 3.087 -3.905 1.00 0.00 C ATOM 897 O LYS A 59 21.062 3.381 -2.712 1.00 0.00 O ATOM 898 CB LYS A 59 23.224 3.387 -5.356 1.00 0.00 C ATOM 899 CG LYS A 59 23.440 4.798 -4.780 1.00 0.00 C ATOM 900 CD LYS A 59 24.828 5.320 -5.169 1.00 0.00 C ATOM 901 CE LYS A 59 24.980 6.805 -4.812 1.00 0.00 C ATOM 902 NZ LYS A 59 26.275 7.358 -5.281 1.00 0.00 N ATOM 0 H LYS A 59 22.435 1.247 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 59 23.040 2.217 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.196 2.939 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.702 3.472 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.671 5.474 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.343 4.775 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.595 4.739 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.985 5.182 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.161 7.371 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.903 6.928 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.569 8.133 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.997 6.609 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.167 7.720 -6.250 1.00 0.00 H new ATOM 916 N VAL A 60 20.162 3.302 -4.768 1.00 0.00 N ATOM 917 CA VAL A 60 19.010 4.106 -4.402 1.00 0.00 C ATOM 918 C VAL A 60 17.995 3.283 -3.620 1.00 0.00 C ATOM 919 O VAL A 60 17.492 3.798 -2.627 1.00 0.00 O ATOM 920 CB VAL A 60 18.472 4.879 -5.618 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.261 5.735 -5.209 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.606 5.795 -6.132 1.00 0.00 C ATOM 0 H VAL A 60 20.138 2.931 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 60 19.304 4.888 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 60 18.154 4.185 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.889 6.278 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.474 5.089 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.561 6.446 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 60 19.255 6.358 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.900 6.487 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.463 5.186 -6.419 1.00 0.00 H new ATOM 932 N SER A 61 17.748 2.011 -3.945 1.00 0.00 N ATOM 933 CA SER A 61 16.932 1.173 -3.069 1.00 0.00 C ATOM 934 C SER A 61 17.596 1.035 -1.694 1.00 0.00 C ATOM 935 O SER A 61 16.887 0.945 -0.693 1.00 0.00 O ATOM 936 CB SER A 61 16.624 -0.189 -3.702 1.00 0.00 C ATOM 937 OG SER A 61 17.793 -0.932 -3.977 1.00 0.00 O ATOM 0 H SER A 61 18.092 1.550 -4.787 1.00 0.00 H new ATOM 0 HA SER A 61 15.970 1.666 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.982 -0.761 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.066 -0.039 -4.626 1.00 0.00 H new ATOM 0 HG SER A 61 18.280 -0.514 -4.717 1.00 0.00 H new ATOM 943 N GLY A 62 18.932 1.053 -1.618 1.00 0.00 N ATOM 944 CA GLY A 62 19.665 1.081 -0.365 1.00 0.00 C ATOM 945 C GLY A 62 19.344 2.346 0.427 1.00 0.00 C ATOM 946 O GLY A 62 18.957 2.250 1.590 1.00 0.00 O ATOM 0 H GLY A 62 19.534 1.048 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.412 0.202 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.736 1.034 -0.564 1.00 0.00 H new ATOM 950 N ASP A 63 19.442 3.527 -0.194 1.00 0.00 N ATOM 951 CA ASP A 63 19.126 4.787 0.479 1.00 0.00 C ATOM 952 C ASP A 63 17.658 4.839 0.892 1.00 0.00 C ATOM 953 O ASP A 63 17.365 5.187 2.032 1.00 0.00 O ATOM 954 CB ASP A 63 19.455 6.007 -0.388 1.00 0.00 C ATOM 955 CG ASP A 63 19.172 7.299 0.400 1.00 0.00 C ATOM 956 OD1 ASP A 63 20.069 7.742 1.152 1.00 0.00 O ATOM 957 OD2 ASP A 63 18.066 7.869 0.277 1.00 0.00 O ATOM 0 H ASP A 63 19.739 3.634 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 63 19.753 4.824 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.501 5.977 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.858 5.988 -1.300 1.00 0.00 H new ATOM 962 N MET A 64 16.730 4.432 0.022 1.00 0.00 N ATOM 963 CA MET A 64 15.315 4.388 0.370 1.00 0.00 C ATOM 964 C MET A 64 15.084 3.461 1.567 1.00 0.00 C ATOM 965 O MET A 64 14.387 3.839 2.505 1.00 0.00 O ATOM 966 CB MET A 64 14.478 3.910 -0.824 1.00 0.00 C ATOM 967 CG MET A 64 14.444 4.812 -2.063 1.00 0.00 C ATOM 968 SD MET A 64 13.794 6.477 -1.795 1.00 0.00 S ATOM 969 CE MET A 64 15.357 7.363 -1.591 1.00 0.00 C ATOM 0 H MET A 64 16.938 4.128 -0.929 1.00 0.00 H new ATOM 0 HA MET A 64 15.003 5.397 0.638 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.852 2.932 -1.128 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.453 3.767 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.456 4.895 -2.458 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.842 4.325 -2.830 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.155 8.401 -1.326 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.941 6.894 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.919 7.329 -2.524 1.00 0.00 H new ATOM 979 N GLN A 65 15.681 2.267 1.591 1.00 0.00 N ATOM 980 CA GLN A 65 15.553 1.346 2.713 1.00 0.00 C ATOM 981 C GLN A 65 16.198 1.912 3.984 1.00 0.00 C ATOM 982 O GLN A 65 15.683 1.677 5.075 1.00 0.00 O ATOM 983 CB GLN A 65 16.174 -0.005 2.339 1.00 0.00 C ATOM 984 CG GLN A 65 15.250 -0.855 1.453 1.00 0.00 C ATOM 985 CD GLN A 65 15.976 -2.079 0.899 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.784 -3.205 1.351 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.835 -1.879 -0.086 1.00 0.00 N ATOM 0 H GLN A 65 16.265 1.916 0.832 1.00 0.00 H new ATOM 0 HA GLN A 65 14.493 1.207 2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.116 0.164 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.408 -0.558 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.384 -1.176 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.876 -0.248 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.983 -0.938 -0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.350 -2.666 -0.482 1.00 0.00 H new ATOM 996 N LYS A 66 17.281 2.689 3.870 1.00 0.00 N ATOM 997 CA LYS A 66 17.868 3.423 4.986 1.00 0.00 C ATOM 998 C LYS A 66 16.894 4.487 5.507 1.00 0.00 C ATOM 999 O LYS A 66 16.778 4.636 6.723 1.00 0.00 O ATOM 1000 CB LYS A 66 19.215 3.984 4.510 1.00 0.00 C ATOM 1001 CG LYS A 66 19.935 4.888 5.513 1.00 0.00 C ATOM 1002 CD LYS A 66 21.337 5.250 4.997 1.00 0.00 C ATOM 1003 CE LYS A 66 21.362 6.059 3.689 1.00 0.00 C ATOM 1004 NZ LYS A 66 20.733 7.397 3.802 1.00 0.00 N ATOM 0 H LYS A 66 17.777 2.824 2.989 1.00 0.00 H new ATOM 0 HA LYS A 66 18.054 2.775 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.871 3.149 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.052 4.546 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.355 5.796 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.014 4.383 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.855 5.820 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.901 4.329 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.396 6.180 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.850 5.492 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.494 7.749 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.867 7.326 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.396 8.055 4.258 1.00 0.00 H new ATOM 1018 N GLN A 67 16.161 5.190 4.631 1.00 0.00 N ATOM 1019 CA GLN A 67 15.059 6.061 5.052 1.00 0.00 C ATOM 1020 C GLN A 67 13.939 5.239 5.701 1.00 0.00 C ATOM 1021 O GLN A 67 13.290 5.743 6.619 1.00 0.00 O ATOM 1022 CB GLN A 67 14.524 6.918 3.885 1.00 0.00 C ATOM 1023 CG GLN A 67 15.600 7.846 3.290 1.00 0.00 C ATOM 1024 CD GLN A 67 15.044 8.890 2.319 1.00 0.00 C ATOM 1025 OE1 GLN A 67 14.017 9.516 2.565 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.718 9.131 1.205 1.00 0.00 N ATOM 0 H GLN A 67 16.314 5.170 3.623 1.00 0.00 H new ATOM 0 HA GLN A 67 15.451 6.753 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.142 6.262 3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.685 7.519 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.116 8.357 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.343 7.240 2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.571 8.610 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.384 9.838 0.550 1.00 0.00 H new ATOM 1035 N GLY A 68 13.734 3.996 5.262 1.00 0.00 N ATOM 1036 CA GLY A 68 12.874 2.975 5.867 1.00 0.00 C ATOM 1037 C GLY A 68 12.001 2.235 4.842 1.00 0.00 C ATOM 1038 O GLY A 68 11.322 1.273 5.201 1.00 0.00 O ATOM 0 H GLY A 68 14.194 3.652 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.496 2.252 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.231 3.445 6.611 1.00 0.00 H new ATOM 1042 N CYS A 69 11.990 2.693 3.588 1.00 0.00 N ATOM 1043 CA CYS A 69 11.081 2.273 2.528 1.00 0.00 C ATOM 1044 C CYS A 69 11.296 0.821 2.075 1.00 0.00 C ATOM 1045 O CYS A 69 12.221 0.134 2.507 1.00 0.00 O ATOM 1046 CB CYS A 69 11.315 3.188 1.321 1.00 0.00 C ATOM 1047 SG CYS A 69 11.228 4.946 1.766 1.00 0.00 S ATOM 0 H CYS A 69 12.650 3.403 3.272 1.00 0.00 H new ATOM 0 HA CYS A 69 10.067 2.340 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.292 2.973 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.571 2.972 0.554 1.00 0.00 H new ATOM 0 HG CYS A 69 11.436 5.672 0.708 1.00 0.00 H new ATOM 1053 N ASP A 70 10.475 0.402 1.113 1.00 0.00 N ATOM 1054 CA ASP A 70 10.601 -0.834 0.343 1.00 0.00 C ATOM 1055 C ASP A 70 10.444 -0.406 -1.116 1.00 0.00 C ATOM 1056 O ASP A 70 9.686 0.536 -1.384 1.00 0.00 O ATOM 1057 CB ASP A 70 9.534 -1.852 0.756 1.00 0.00 C ATOM 1058 CG ASP A 70 9.603 -3.108 -0.125 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.685 -3.728 -0.212 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.569 -3.493 -0.714 1.00 0.00 O ATOM 0 H ASP A 70 9.659 0.947 0.835 1.00 0.00 H new ATOM 0 HA ASP A 70 11.556 -1.331 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.675 -2.128 1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.545 -1.401 0.676 1.00 0.00 H new ATOM 1065 N CYS A 71 11.181 -1.016 -2.051 1.00 0.00 N ATOM 1066 CA CYS A 71 11.281 -0.528 -3.427 1.00 0.00 C ATOM 1067 C CYS A 71 11.444 -1.651 -4.455 1.00 0.00 C ATOM 1068 O CYS A 71 11.763 -2.785 -4.095 1.00 0.00 O ATOM 1069 CB CYS A 71 12.499 0.403 -3.557 1.00 0.00 C ATOM 1070 SG CYS A 71 12.490 1.713 -2.306 1.00 0.00 S ATOM 0 H CYS A 71 11.724 -1.861 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 71 10.346 -0.008 -3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.414 -0.182 -3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.508 0.851 -4.551 1.00 0.00 H new ATOM 0 HG CYS A 71 13.292 1.391 -1.335 1.00 0.00 H new ATOM 1076 N GLU A 72 11.281 -1.306 -5.738 1.00 0.00 N ATOM 1077 CA GLU A 72 11.492 -2.186 -6.889 1.00 0.00 C ATOM 1078 C GLU A 72 11.863 -1.315 -8.092 1.00 0.00 C ATOM 1079 O GLU A 72 11.205 -0.301 -8.322 1.00 0.00 O ATOM 1080 CB GLU A 72 10.187 -2.927 -7.255 1.00 0.00 C ATOM 1081 CG GLU A 72 9.727 -4.027 -6.285 1.00 0.00 C ATOM 1082 CD GLU A 72 10.727 -5.191 -6.110 1.00 0.00 C ATOM 1083 OE1 GLU A 72 11.569 -5.443 -7.002 1.00 0.00 O ATOM 1084 OE2 GLU A 72 10.629 -5.925 -5.099 1.00 0.00 O ATOM 0 H GLU A 72 10.987 -0.368 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 72 12.271 -2.907 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.388 -2.190 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.313 -3.373 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.539 -3.578 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.778 -4.431 -6.638 1.00 0.00 H new ATOM 1091 N CYS A 73 12.885 -1.676 -8.871 1.00 0.00 N ATOM 1092 CA CYS A 73 13.148 -1.033 -10.158 1.00 0.00 C ATOM 1093 C CYS A 73 12.075 -1.543 -11.125 1.00 0.00 C ATOM 1094 O CYS A 73 12.014 -2.744 -11.406 1.00 0.00 O ATOM 1095 CB CYS A 73 14.570 -1.331 -10.672 1.00 0.00 C ATOM 1096 SG CYS A 73 15.003 -3.078 -10.407 1.00 0.00 S ATOM 0 H CYS A 73 13.546 -2.414 -8.630 1.00 0.00 H new ATOM 0 HA CYS A 73 13.100 0.052 -10.063 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.635 -1.093 -11.734 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.288 -0.692 -10.158 1.00 0.00 H new ATOM 0 HG CYS A 73 15.946 -3.422 -11.234 1.00 0.00 H new ATOM 1102 N LEU A 74 11.208 -0.656 -11.621 1.00 0.00 N ATOM 1103 CA LEU A 74 10.165 -1.029 -12.573 1.00 0.00 C ATOM 1104 C LEU A 74 10.762 -1.287 -13.959 1.00 0.00 C ATOM 1105 O LEU A 74 10.182 -2.031 -14.751 1.00 0.00 O ATOM 1106 CB LEU A 74 9.092 0.069 -12.655 1.00 0.00 C ATOM 1107 CG LEU A 74 8.341 0.353 -11.339 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.182 1.321 -11.612 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.792 -0.921 -10.679 1.00 0.00 C ATOM 0 H LEU A 74 11.211 0.334 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 74 9.699 -1.949 -12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.564 0.992 -12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.364 -0.212 -13.416 1.00 0.00 H new ATOM 0 HG LEU A 74 9.060 0.793 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.650 1.523 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.575 2.254 -12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.497 0.874 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.273 -0.659 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.096 -1.412 -11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.616 -1.597 -10.452 1.00 0.00 H new ATOM 1121 N GLY A 75 11.915 -0.685 -14.251 1.00 0.00 N ATOM 1122 CA GLY A 75 12.650 -0.830 -15.493 1.00 0.00 C ATOM 1123 C GLY A 75 13.772 0.197 -15.509 1.00 0.00 C ATOM 1124 O GLY A 75 14.001 0.893 -14.515 1.00 0.00 O ATOM 0 H GLY A 75 12.377 -0.056 -13.594 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.057 -1.838 -15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.987 -0.681 -16.346 1.00 0.00 H new ATOM 1128 N GLY A 76 14.441 0.340 -16.648 1.00 0.00 N ATOM 1129 CA GLY A 76 15.407 1.405 -16.859 1.00 0.00 C ATOM 1130 C GLY A 76 15.627 1.635 -18.344 1.00 0.00 C ATOM 1131 O GLY A 76 14.834 1.182 -19.176 1.00 0.00 O ATOM 0 H GLY A 76 14.327 -0.281 -17.449 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.053 2.324 -16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.352 1.147 -16.381 1.00 0.00 H new ATOM 1135 N GLY A 77 16.699 2.350 -18.667 1.00 0.00 N ATOM 1136 CA GLY A 77 16.977 2.860 -19.997 1.00 0.00 C ATOM 1137 C GLY A 77 18.202 3.761 -19.938 1.00 0.00 C ATOM 1138 O GLY A 77 19.030 3.632 -19.031 1.00 0.00 O ATOM 0 H GLY A 77 17.418 2.596 -17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.150 2.035 -20.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.119 3.416 -20.374 1.00 0.00 H new ATOM 1142 N ARG A 78 18.322 4.684 -20.884 1.00 0.00 N ATOM 1143 CA ARG A 78 19.511 5.491 -21.115 1.00 0.00 C ATOM 1144 C ARG A 78 19.091 6.926 -21.410 1.00 0.00 C ATOM 1145 O ARG A 78 17.969 7.170 -21.856 1.00 0.00 O ATOM 1146 CB ARG A 78 20.278 4.827 -22.268 1.00 0.00 C ATOM 1147 CG ARG A 78 21.623 5.466 -22.636 1.00 0.00 C ATOM 1148 CD ARG A 78 22.231 4.633 -23.766 1.00 0.00 C ATOM 1149 NE ARG A 78 23.494 5.194 -24.265 1.00 0.00 N ATOM 1150 CZ ARG A 78 24.127 4.779 -25.372 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.617 3.815 -26.136 1.00 0.00 N ATOM 1152 NH2 ARG A 78 25.291 5.328 -25.707 1.00 0.00 N ATOM 0 H ARG A 78 17.566 4.898 -21.534 1.00 0.00 H new ATOM 0 HA ARG A 78 20.167 5.541 -20.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.453 3.783 -22.008 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.641 4.833 -23.153 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.483 6.499 -22.953 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.288 5.485 -21.773 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.404 3.617 -23.411 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.518 4.566 -24.587 1.00 0.00 H new ATOM 0 HE ARG A 78 23.919 5.953 -23.732 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.730 3.379 -25.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 24.113 3.513 -26.974 1.00 0.00 H new ATOM 0 HH21 ARG A 78 25.697 6.060 -25.123 1.00 0.00 H new ATOM 0 HH22 ARG A 78 25.778 5.017 -26.548 1.00 0.00 H new ATOM 1166 N ILE A 79 19.986 7.871 -21.143 1.00 0.00 N ATOM 1167 CA ILE A 79 19.750 9.301 -21.220 1.00 0.00 C ATOM 1168 C ILE A 79 20.940 9.903 -21.966 1.00 0.00 C ATOM 1169 O ILE A 79 22.094 9.559 -21.691 1.00 0.00 O ATOM 1170 CB ILE A 79 19.561 9.871 -19.789 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.188 9.413 -19.243 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.656 11.411 -19.770 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.819 9.917 -17.841 1.00 0.00 C ATOM 0 H ILE A 79 20.938 7.646 -20.854 1.00 0.00 H new ATOM 0 HA ILE A 79 18.838 9.550 -21.762 1.00 0.00 H new ATOM 0 HB ILE A 79 20.362 9.490 -19.156 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.415 9.739 -19.939 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.169 8.323 -19.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.518 11.771 -18.751 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.636 11.720 -20.135 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.881 11.831 -20.411 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.837 9.533 -17.563 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.561 9.569 -17.122 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.796 11.007 -17.840 1.00 0.00 H new ATOM 1185 N SER A 80 20.644 10.822 -22.885 1.00 0.00 N ATOM 1186 CA SER A 80 21.617 11.460 -23.760 1.00 0.00 C ATOM 1187 C SER A 80 21.201 12.908 -24.021 1.00 0.00 C ATOM 1188 O SER A 80 20.043 13.275 -23.806 1.00 0.00 O ATOM 1189 CB SER A 80 21.681 10.705 -25.100 1.00 0.00 C ATOM 1190 OG SER A 80 21.916 9.318 -24.927 1.00 0.00 O ATOM 0 H SER A 80 19.691 11.150 -23.043 1.00 0.00 H new ATOM 0 HA SER A 80 22.596 11.440 -23.281 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.745 10.848 -25.640 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.472 11.131 -25.717 1.00 0.00 H new ATOM 0 HG SER A 80 21.947 8.880 -25.803 1.00 0.00 H new ATOM 1333 N HIS A 89 17.221 13.595 -23.998 1.00 0.00 N ATOM 1334 CA HIS A 89 16.383 12.516 -24.497 1.00 0.00 C ATOM 1335 C HIS A 89 16.522 11.310 -23.569 1.00 0.00 C ATOM 1336 O HIS A 89 17.590 11.103 -22.988 1.00 0.00 O ATOM 1337 CB HIS A 89 16.814 12.188 -25.934 1.00 0.00 C ATOM 1338 CG HIS A 89 15.795 11.382 -26.696 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.585 11.845 -27.160 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.919 10.083 -27.108 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.994 10.849 -27.842 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.767 9.748 -27.832 1.00 0.00 N ATOM 0 HA HIS A 89 15.332 12.805 -24.513 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.004 13.118 -26.469 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.755 11.638 -25.907 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.757 9.431 -26.910 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.033 10.922 -28.330 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.557 8.849 -28.265 1.00 0.00 H new ATOM 1350 N VAL A 90 15.462 10.509 -23.446 1.00 0.00 N ATOM 1351 CA VAL A 90 15.373 9.340 -22.575 1.00 0.00 C ATOM 1352 C VAL A 90 14.878 8.191 -23.459 1.00 0.00 C ATOM 1353 O VAL A 90 13.846 8.324 -24.115 1.00 0.00 O ATOM 1354 CB VAL A 90 14.407 9.617 -21.397 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.510 8.493 -20.355 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.640 10.973 -20.705 1.00 0.00 C ATOM 0 H VAL A 90 14.605 10.666 -23.976 1.00 0.00 H new ATOM 0 HA VAL A 90 16.335 9.091 -22.127 1.00 0.00 H new ATOM 0 HB VAL A 90 13.408 9.653 -21.832 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.827 8.697 -19.531 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.246 7.542 -20.818 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.531 8.441 -19.976 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.925 11.094 -19.891 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.654 11.008 -20.306 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.506 11.778 -21.428 1.00 0.00 H new ATOM 1366 N TYR A 91 15.612 7.086 -23.548 1.00 0.00 N ATOM 1367 CA TYR A 91 15.331 6.045 -24.532 1.00 0.00 C ATOM 1368 C TYR A 91 15.950 4.710 -24.113 1.00 0.00 C ATOM 1369 O TYR A 91 16.513 4.597 -23.023 1.00 0.00 O ATOM 1370 CB TYR A 91 15.819 6.518 -25.918 1.00 0.00 C ATOM 1371 CG TYR A 91 17.308 6.399 -26.221 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.279 6.943 -25.355 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.721 5.765 -27.409 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.645 6.824 -25.655 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.087 5.648 -27.722 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.059 6.178 -26.841 1.00 0.00 C ATOM 1377 OH TYR A 91 21.388 6.096 -27.134 1.00 0.00 O ATOM 0 H TYR A 91 16.411 6.887 -22.946 1.00 0.00 H new ATOM 0 HA TYR A 91 14.256 5.872 -24.591 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.276 5.953 -26.676 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.535 7.564 -26.035 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.970 7.454 -24.455 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.981 5.365 -28.086 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.382 7.228 -24.977 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.393 5.155 -28.633 1.00 0.00 H new ATOM 0 HH TYR A 91 21.507 5.621 -27.983 1.00 0.00 H new ATOM 1387 N GLY A 92 15.869 3.697 -24.975 1.00 0.00 N ATOM 1388 CA GLY A 92 16.463 2.393 -24.727 1.00 0.00 C ATOM 1389 C GLY A 92 15.661 1.592 -23.706 1.00 0.00 C ATOM 1390 O GLY A 92 14.471 1.837 -23.489 1.00 0.00 O ATOM 0 H GLY A 92 15.385 3.763 -25.870 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.521 1.836 -25.662 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.484 2.521 -24.368 1.00 0.00 H new ATOM 1394 N TYR A 93 16.318 0.597 -23.113 1.00 0.00 N ATOM 1395 CA TYR A 93 15.755 -0.320 -22.134 1.00 0.00 C ATOM 1396 C TYR A 93 16.879 -0.746 -21.190 1.00 0.00 C ATOM 1397 O TYR A 93 18.050 -0.712 -21.582 1.00 0.00 O ATOM 1398 CB TYR A 93 15.139 -1.537 -22.850 1.00 0.00 C ATOM 1399 CG TYR A 93 16.098 -2.363 -23.695 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.410 -1.968 -25.012 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.676 -3.535 -23.167 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.308 -2.723 -25.788 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.574 -4.294 -23.934 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.899 -3.891 -25.250 1.00 0.00 C ATOM 1405 OH TYR A 93 18.769 -4.638 -25.987 1.00 0.00 O ATOM 0 H TYR A 93 17.299 0.403 -23.313 1.00 0.00 H new ATOM 0 HA TYR A 93 14.961 0.162 -21.563 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.692 -2.189 -22.099 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.329 -1.187 -23.490 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.957 -1.080 -25.428 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.426 -3.851 -22.165 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.546 -2.411 -26.794 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.017 -5.187 -23.518 1.00 0.00 H new ATOM 0 HH TYR A 93 19.076 -5.402 -25.456 1.00 0.00 H new ATOM 1415 N SER A 94 16.552 -1.139 -19.956 1.00 0.00 N ATOM 1416 CA SER A 94 17.561 -1.654 -19.046 1.00 0.00 C ATOM 1417 C SER A 94 18.026 -3.013 -19.546 1.00 0.00 C ATOM 1418 O SER A 94 17.208 -3.904 -19.792 1.00 0.00 O ATOM 1419 CB SER A 94 17.053 -1.719 -17.606 1.00 0.00 C ATOM 1420 OG SER A 94 17.946 -2.466 -16.795 1.00 0.00 O ATOM 0 H SER A 94 15.607 -1.109 -19.574 1.00 0.00 H new ATOM 0 HA SER A 94 18.409 -0.970 -19.031 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.947 -0.711 -17.206 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.064 -2.176 -17.584 1.00 0.00 H new ATOM 0 HG SER A 94 17.913 -2.129 -15.875 1.00 0.00 H new ATOM 1426 N MET A 95 19.345 -3.190 -19.601 1.00 0.00 N ATOM 1427 CA MET A 95 19.984 -4.472 -19.867 1.00 0.00 C ATOM 1428 C MET A 95 19.591 -5.536 -18.822 1.00 0.00 C ATOM 1429 O MET A 95 19.699 -6.729 -19.109 1.00 0.00 O ATOM 1430 CB MET A 95 21.507 -4.248 -19.916 1.00 0.00 C ATOM 1431 CG MET A 95 22.285 -5.463 -20.434 1.00 0.00 C ATOM 1432 SD MET A 95 24.066 -5.167 -20.617 1.00 0.00 S ATOM 1433 CE MET A 95 24.578 -6.797 -21.228 1.00 0.00 C ATOM 0 H MET A 95 20.010 -2.430 -19.459 1.00 0.00 H new ATOM 0 HA MET A 95 19.642 -4.860 -20.826 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.720 -3.390 -20.554 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.862 -3.998 -18.916 1.00 0.00 H new ATOM 0 HG2 MET A 95 22.133 -6.298 -19.751 1.00 0.00 H new ATOM 0 HG3 MET A 95 21.875 -5.762 -21.399 1.00 0.00 H new ATOM 0 HE1 MET A 95 25.655 -6.800 -21.398 1.00 0.00 H new ATOM 0 HE2 MET A 95 24.325 -7.558 -20.490 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.062 -7.013 -22.164 1.00 0.00 H new ATOM 1443 N ALA A 96 19.119 -5.129 -17.633 1.00 0.00 N ATOM 1444 CA ALA A 96 18.817 -6.030 -16.524 1.00 0.00 C ATOM 1445 C ALA A 96 17.326 -6.059 -16.161 1.00 0.00 C ATOM 1446 O ALA A 96 16.868 -7.067 -15.622 1.00 0.00 O ATOM 1447 CB ALA A 96 19.642 -5.601 -15.303 1.00 0.00 C ATOM 0 H ALA A 96 18.936 -4.149 -17.418 1.00 0.00 H new ATOM 0 HA ALA A 96 19.079 -7.040 -16.838 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.426 -6.266 -14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.704 -5.654 -15.544 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.383 -4.578 -15.030 1.00 0.00 H new ATOM 1453 N TYR A 97 16.566 -5.000 -16.473 1.00 0.00 N ATOM 1454 CA TYR A 97 15.196 -4.813 -15.985 1.00 0.00 C ATOM 1455 C TYR A 97 14.188 -4.460 -17.091 1.00 0.00 C ATOM 1456 O TYR A 97 13.007 -4.276 -16.790 1.00 0.00 O ATOM 1457 CB TYR A 97 15.189 -3.738 -14.876 1.00 0.00 C ATOM 1458 CG TYR A 97 16.227 -3.900 -13.774 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.365 -5.134 -13.106 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.043 -2.812 -13.400 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.330 -5.295 -12.097 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.007 -2.963 -12.385 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.154 -4.207 -11.729 1.00 0.00 C ATOM 1464 OH TYR A 97 19.081 -4.349 -10.741 1.00 0.00 O ATOM 0 H TYR A 97 16.889 -4.244 -17.076 1.00 0.00 H new ATOM 0 HA TYR A 97 14.867 -5.771 -15.584 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.335 -2.764 -15.343 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.201 -3.727 -14.416 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.724 -5.962 -13.372 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.928 -1.859 -13.894 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.442 -6.249 -11.603 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.634 -2.129 -12.107 1.00 0.00 H new ATOM 0 HH TYR A 97 19.805 -4.932 -11.053 1.00 0.00 H new ATOM 1474 N GLY A 98 14.610 -4.376 -18.357 1.00 0.00 N ATOM 1475 CA GLY A 98 13.724 -4.029 -19.465 1.00 0.00 C ATOM 1476 C GLY A 98 13.361 -2.538 -19.478 1.00 0.00 C ATOM 1477 O GLY A 98 13.901 -1.759 -18.685 1.00 0.00 O ATOM 0 H GLY A 98 15.575 -4.547 -18.639 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.205 -4.291 -20.407 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.812 -4.622 -19.397 1.00 0.00 H new ATOM 1481 N PRO A 99 12.511 -2.099 -20.422 1.00 0.00 N ATOM 1482 CA PRO A 99 12.197 -0.688 -20.605 1.00 0.00 C ATOM 1483 C PRO A 99 11.333 -0.160 -19.459 1.00 0.00 C ATOM 1484 O PRO A 99 10.307 -0.750 -19.108 1.00 0.00 O ATOM 1485 CB PRO A 99 11.474 -0.596 -21.954 1.00 0.00 C ATOM 1486 CG PRO A 99 10.851 -1.981 -22.130 1.00 0.00 C ATOM 1487 CD PRO A 99 11.836 -2.913 -21.425 1.00 0.00 C ATOM 0 HA PRO A 99 13.096 -0.071 -20.600 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.715 0.186 -21.948 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.166 -0.363 -22.763 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.859 -2.034 -21.682 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.739 -2.239 -23.183 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.316 -3.752 -20.962 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.551 -3.333 -22.133 1.00 0.00 H new ATOM 1495 N ALA A 100 11.748 0.970 -18.886 1.00 0.00 N ATOM 1496 CA ALA A 100 10.938 1.727 -17.943 1.00 0.00 C ATOM 1497 C ALA A 100 9.824 2.478 -18.684 1.00 0.00 C ATOM 1498 O ALA A 100 9.851 2.621 -19.910 1.00 0.00 O ATOM 1499 CB ALA A 100 11.833 2.750 -17.245 1.00 0.00 C ATOM 0 H ALA A 100 12.662 1.385 -19.067 1.00 0.00 H new ATOM 0 HA ALA A 100 10.492 1.043 -17.221 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.241 3.326 -16.534 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.633 2.232 -16.715 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.265 3.422 -17.987 1.00 0.00 H new ATOM 1505 N GLN A 101 8.863 3.011 -17.925 1.00 0.00 N ATOM 1506 CA GLN A 101 7.867 3.944 -18.437 1.00 0.00 C ATOM 1507 C GLN A 101 8.545 5.315 -18.525 1.00 0.00 C ATOM 1508 O GLN A 101 8.359 6.153 -17.647 1.00 0.00 O ATOM 1509 CB GLN A 101 6.620 3.985 -17.534 1.00 0.00 C ATOM 1510 CG GLN A 101 5.789 2.699 -17.612 1.00 0.00 C ATOM 1511 CD GLN A 101 4.501 2.818 -16.794 1.00 0.00 C ATOM 1512 OE1 GLN A 101 3.406 2.934 -17.340 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.594 2.809 -15.473 1.00 0.00 N ATOM 0 H GLN A 101 8.757 2.803 -16.932 1.00 0.00 H new ATOM 0 HA GLN A 101 7.514 3.630 -19.419 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.929 4.150 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.997 4.833 -17.820 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.543 2.485 -18.652 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.379 1.859 -17.245 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.506 2.712 -15.027 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.754 2.899 -14.902 1.00 0.00 H new ATOM 1522 N HIS A 102 9.357 5.553 -19.557 1.00 0.00 N ATOM 1523 CA HIS A 102 10.094 6.810 -19.726 1.00 0.00 C ATOM 1524 C HIS A 102 9.176 8.042 -19.803 1.00 0.00 C ATOM 1525 O HIS A 102 9.649 9.161 -19.613 1.00 0.00 O ATOM 1526 CB HIS A 102 10.999 6.727 -20.957 1.00 0.00 C ATOM 1527 CG HIS A 102 11.929 5.542 -20.926 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.859 4.410 -21.709 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.922 5.337 -20.010 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.787 3.547 -21.261 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.478 4.077 -20.244 1.00 0.00 N ATOM 0 H HIS A 102 9.524 4.877 -20.303 1.00 0.00 H new ATOM 0 HA HIS A 102 10.706 6.943 -18.834 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.380 6.673 -21.853 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.587 7.642 -21.031 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.219 4.255 -22.488 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.225 6.029 -19.238 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.953 2.560 -21.666 1.00 0.00 H new ATOM 1539 N ALA A 103 7.872 7.853 -20.037 1.00 0.00 N ATOM 1540 CA ALA A 103 6.873 8.909 -19.914 1.00 0.00 C ATOM 1541 C ALA A 103 6.880 9.528 -18.503 1.00 0.00 C ATOM 1542 O ALA A 103 6.628 10.722 -18.347 1.00 0.00 O ATOM 1543 CB ALA A 103 5.495 8.328 -20.242 1.00 0.00 C ATOM 0 H ALA A 103 7.482 6.954 -20.319 1.00 0.00 H new ATOM 0 HA ALA A 103 7.113 9.707 -20.616 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.740 9.109 -20.153 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.497 7.940 -21.260 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.265 7.521 -19.546 1.00 0.00 H new ATOM 1549 N ILE A 104 7.178 8.736 -17.465 1.00 0.00 N ATOM 1550 CA ILE A 104 7.331 9.218 -16.095 1.00 0.00 C ATOM 1551 C ILE A 104 8.530 10.158 -16.032 1.00 0.00 C ATOM 1552 O ILE A 104 8.432 11.226 -15.431 1.00 0.00 O ATOM 1553 CB ILE A 104 7.494 8.021 -15.125 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.274 7.073 -15.150 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.789 8.468 -13.681 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.976 7.700 -14.628 1.00 0.00 C ATOM 0 H ILE A 104 7.321 7.730 -17.559 1.00 0.00 H new ATOM 0 HA ILE A 104 6.441 9.768 -15.789 1.00 0.00 H new ATOM 0 HB ILE A 104 8.360 7.468 -15.489 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.114 6.733 -16.173 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.503 6.190 -14.553 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.894 7.591 -13.043 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.714 9.045 -13.660 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.968 9.086 -13.316 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.171 6.967 -14.681 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.114 8.014 -13.593 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.719 8.566 -15.238 1.00 0.00 H new ATOM 1568 N SER A 105 9.646 9.789 -16.664 1.00 0.00 N ATOM 1569 CA SER A 105 10.840 10.605 -16.708 1.00 0.00 C ATOM 1570 C SER A 105 10.535 11.954 -17.338 1.00 0.00 C ATOM 1571 O SER A 105 10.808 12.977 -16.715 1.00 0.00 O ATOM 1572 CB SER A 105 11.930 9.875 -17.483 1.00 0.00 C ATOM 1573 OG SER A 105 12.030 8.547 -17.008 1.00 0.00 O ATOM 0 H SER A 105 9.737 8.904 -17.162 1.00 0.00 H new ATOM 0 HA SER A 105 11.193 10.782 -15.692 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.698 9.876 -18.548 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.884 10.389 -17.364 1.00 0.00 H new ATOM 0 HG SER A 105 12.941 8.382 -16.687 1.00 0.00 H new ATOM 1579 N THR A 106 9.941 11.976 -18.532 1.00 0.00 N ATOM 1580 CA THR A 106 9.618 13.229 -19.195 1.00 0.00 C ATOM 1581 C THR A 106 8.656 14.068 -18.352 1.00 0.00 C ATOM 1582 O THR A 106 8.919 15.256 -18.168 1.00 0.00 O ATOM 1583 CB THR A 106 9.118 12.996 -20.631 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.202 11.927 -20.691 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.287 12.665 -21.563 1.00 0.00 C ATOM 0 H THR A 106 9.677 11.141 -19.054 1.00 0.00 H new ATOM 0 HA THR A 106 10.535 13.811 -19.287 1.00 0.00 H new ATOM 0 HB THR A 106 8.628 13.917 -20.947 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.800 11.790 -19.808 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.912 12.504 -22.574 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.995 13.493 -21.567 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.787 11.762 -21.213 1.00 0.00 H new ATOM 1593 N GLU A 107 7.603 13.476 -17.777 1.00 0.00 N ATOM 1594 CA GLU A 107 6.659 14.202 -16.933 1.00 0.00 C ATOM 1595 C GLU A 107 7.373 14.838 -15.734 1.00 0.00 C ATOM 1596 O GLU A 107 7.265 16.048 -15.517 1.00 0.00 O ATOM 1597 CB GLU A 107 5.511 13.277 -16.477 1.00 0.00 C ATOM 1598 CG GLU A 107 4.433 13.144 -17.565 1.00 0.00 C ATOM 1599 CD GLU A 107 3.265 12.246 -17.116 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.495 12.647 -16.213 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.070 11.149 -17.688 1.00 0.00 O ATOM 0 H GLU A 107 7.386 12.485 -17.885 1.00 0.00 H new ATOM 0 HA GLU A 107 6.223 15.008 -17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.910 12.292 -16.235 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.063 13.672 -15.565 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.052 14.133 -17.820 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.880 12.731 -18.469 1.00 0.00 H new ATOM 1608 N LYS A 108 8.125 14.046 -14.963 1.00 0.00 N ATOM 1609 CA LYS A 108 8.738 14.526 -13.730 1.00 0.00 C ATOM 1610 C LYS A 108 9.870 15.507 -14.016 1.00 0.00 C ATOM 1611 O LYS A 108 9.943 16.548 -13.363 1.00 0.00 O ATOM 1612 CB LYS A 108 9.248 13.348 -12.889 1.00 0.00 C ATOM 1613 CG LYS A 108 8.128 12.496 -12.280 1.00 0.00 C ATOM 1614 CD LYS A 108 8.730 11.389 -11.397 1.00 0.00 C ATOM 1615 CE LYS A 108 7.662 10.637 -10.592 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.024 11.505 -9.572 1.00 0.00 N ATOM 0 H LYS A 108 8.321 13.068 -15.176 1.00 0.00 H new ATOM 0 HA LYS A 108 7.973 15.056 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.877 12.713 -13.513 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.878 13.732 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.463 13.124 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.525 12.053 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.273 10.682 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.455 11.829 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.900 10.253 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.116 9.775 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.081 11.133 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.611 11.521 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.933 12.471 -9.946 1.00 0.00 H new ATOM 1630 N ILE A 109 10.746 15.213 -14.979 1.00 0.00 N ATOM 1631 CA ILE A 109 11.868 16.087 -15.312 1.00 0.00 C ATOM 1632 C ILE A 109 11.315 17.410 -15.850 1.00 0.00 C ATOM 1633 O ILE A 109 11.806 18.454 -15.432 1.00 0.00 O ATOM 1634 CB ILE A 109 12.855 15.380 -16.275 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.577 14.201 -15.574 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.920 16.339 -16.842 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.255 13.228 -16.549 1.00 0.00 C ATOM 0 H ILE A 109 10.697 14.367 -15.546 1.00 0.00 H new ATOM 0 HA ILE A 109 12.456 16.315 -14.423 1.00 0.00 H new ATOM 0 HB ILE A 109 12.247 15.008 -17.100 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.327 14.600 -14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.855 13.652 -14.969 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.584 15.791 -17.510 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.430 17.141 -17.395 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.500 16.765 -16.023 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.740 12.429 -15.988 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.506 12.800 -17.216 1.00 0.00 H new ATOM 0 HD13 ILE A 109 15.001 13.763 -17.137 1.00 0.00 H new ATOM 1649 N LYS A 110 10.283 17.428 -16.706 1.00 0.00 N ATOM 1650 CA LYS A 110 9.723 18.703 -17.173 1.00 0.00 C ATOM 1651 C LYS A 110 9.120 19.494 -16.014 1.00 0.00 C ATOM 1652 O LYS A 110 9.294 20.711 -15.972 1.00 0.00 O ATOM 1653 CB LYS A 110 8.685 18.494 -18.286 1.00 0.00 C ATOM 1654 CG LYS A 110 9.371 18.117 -19.605 1.00 0.00 C ATOM 1655 CD LYS A 110 8.361 17.811 -20.717 1.00 0.00 C ATOM 1656 CE LYS A 110 9.118 17.483 -22.011 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.213 17.219 -23.158 1.00 0.00 N ATOM 0 H LYS A 110 9.829 16.595 -17.081 1.00 0.00 H new ATOM 0 HA LYS A 110 10.545 19.283 -17.593 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.987 17.708 -17.996 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.102 19.405 -18.421 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.020 18.933 -19.921 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.008 17.247 -19.445 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.728 16.971 -20.429 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.704 18.666 -20.873 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.779 18.313 -22.260 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.750 16.611 -21.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.778 17.003 -24.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.599 16.409 -22.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.627 18.059 -23.338 1.00 0.00 H new ATOM 1671 N ALA A 111 8.445 18.828 -15.070 1.00 0.00 N ATOM 1672 CA ALA A 111 7.873 19.497 -13.906 1.00 0.00 C ATOM 1673 C ALA A 111 8.966 20.129 -13.033 1.00 0.00 C ATOM 1674 O ALA A 111 8.823 21.278 -12.613 1.00 0.00 O ATOM 1675 CB ALA A 111 7.025 18.507 -13.098 1.00 0.00 C ATOM 0 H ALA A 111 8.283 17.821 -15.094 1.00 0.00 H new ATOM 0 HA ALA A 111 7.230 20.305 -14.254 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.602 19.014 -12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.219 18.123 -13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.651 17.679 -12.765 1.00 0.00 H new ATOM 1681 N LYS A 112 10.053 19.397 -12.749 1.00 0.00 N ATOM 1682 CA LYS A 112 11.123 19.876 -11.865 1.00 0.00 C ATOM 1683 C LYS A 112 12.080 20.833 -12.584 1.00 0.00 C ATOM 1684 O LYS A 112 12.711 21.658 -11.925 1.00 0.00 O ATOM 1685 CB LYS A 112 11.888 18.684 -11.251 1.00 0.00 C ATOM 1686 CG LYS A 112 11.258 18.171 -9.943 1.00 0.00 C ATOM 1687 CD LYS A 112 9.892 17.485 -10.100 1.00 0.00 C ATOM 1688 CE LYS A 112 9.283 17.216 -8.717 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.048 16.400 -8.796 1.00 0.00 N ATOM 0 H LYS A 112 10.214 18.462 -13.124 1.00 0.00 H new ATOM 0 HA LYS A 112 10.655 20.443 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.921 17.870 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.919 18.982 -11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.948 17.468 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.148 19.011 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.223 18.116 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.006 16.548 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.015 16.703 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.058 18.165 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.537 16.455 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.441 16.762 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.298 15.410 -8.993 1.00 0.00 H new ATOM 1703 N TYR A 113 12.176 20.732 -13.912 1.00 0.00 N ATOM 1704 CA TYR A 113 13.153 21.386 -14.777 1.00 0.00 C ATOM 1705 C TYR A 113 14.567 21.391 -14.152 1.00 0.00 C ATOM 1706 O TYR A 113 15.118 22.458 -13.872 1.00 0.00 O ATOM 1707 CB TYR A 113 12.625 22.754 -15.245 1.00 0.00 C ATOM 1708 CG TYR A 113 13.113 23.141 -16.630 1.00 0.00 C ATOM 1709 CD1 TYR A 113 14.325 23.839 -16.798 1.00 0.00 C ATOM 1710 CD2 TYR A 113 12.350 22.783 -17.759 1.00 0.00 C ATOM 1711 CE1 TYR A 113 14.767 24.185 -18.087 1.00 0.00 C ATOM 1712 CE2 TYR A 113 12.782 23.133 -19.050 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.995 23.839 -19.220 1.00 0.00 C ATOM 1714 OH TYR A 113 14.433 24.183 -20.463 1.00 0.00 O ATOM 0 H TYR A 113 11.528 20.151 -14.444 1.00 0.00 H new ATOM 0 HA TYR A 113 13.282 20.802 -15.688 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.535 22.736 -15.243 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.933 23.519 -14.532 1.00 0.00 H new ATOM 0 HD1 TYR A 113 14.916 24.109 -15.935 1.00 0.00 H new ATOM 0 HD2 TYR A 113 11.427 22.236 -17.632 1.00 0.00 H new ATOM 0 HE1 TYR A 113 15.699 24.717 -18.212 1.00 0.00 H new ATOM 0 HE2 TYR A 113 12.188 22.863 -19.911 1.00 0.00 H new ATOM 0 HH TYR A 113 13.790 23.872 -21.134 1.00 0.00 H new ATOM 1771 N GLU A 117 14.805 20.791 -20.817 1.00 0.00 N ATOM 1772 CA GLU A 117 13.708 20.010 -21.374 1.00 0.00 C ATOM 1773 C GLU A 117 14.201 18.625 -21.831 1.00 0.00 C ATOM 1774 O GLU A 117 15.384 18.430 -22.131 1.00 0.00 O ATOM 1775 CB GLU A 117 13.087 20.824 -22.528 1.00 0.00 C ATOM 1776 CG GLU A 117 11.796 20.227 -23.106 1.00 0.00 C ATOM 1777 CD GLU A 117 11.111 21.205 -24.079 1.00 0.00 C ATOM 1778 OE1 GLU A 117 11.487 21.253 -25.272 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.173 21.923 -23.664 1.00 0.00 O ATOM 0 HA GLU A 117 12.944 19.823 -20.619 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.878 21.833 -22.173 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.821 20.914 -23.329 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.024 19.296 -23.624 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.112 19.980 -22.294 1.00 0.00 H new ATOM 1786 N VAL A 118 13.267 17.677 -21.935 1.00 0.00 N ATOM 1787 CA VAL A 118 13.496 16.283 -22.291 1.00 0.00 C ATOM 1788 C VAL A 118 12.490 15.842 -23.356 1.00 0.00 C ATOM 1789 O VAL A 118 11.440 16.463 -23.531 1.00 0.00 O ATOM 1790 CB VAL A 118 13.387 15.362 -21.052 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.721 15.199 -20.329 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.312 15.795 -20.050 1.00 0.00 C ATOM 0 H VAL A 118 12.281 17.876 -21.764 1.00 0.00 H new ATOM 0 HA VAL A 118 14.507 16.199 -22.689 1.00 0.00 H new ATOM 0 HB VAL A 118 13.083 14.398 -21.461 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.590 14.544 -19.468 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.452 14.763 -21.009 1.00 0.00 H new ATOM 0 HG13 VAL A 118 15.074 16.174 -19.993 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.297 15.101 -19.210 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.536 16.798 -19.687 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.338 15.795 -20.539 1.00 0.00 H new ATOM 1802 N THR A 119 12.784 14.719 -24.003 1.00 0.00 N ATOM 1803 CA THR A 119 11.902 13.984 -24.903 1.00 0.00 C ATOM 1804 C THR A 119 12.140 12.488 -24.648 1.00 0.00 C ATOM 1805 O THR A 119 13.077 12.137 -23.923 1.00 0.00 O ATOM 1806 CB THR A 119 12.199 14.389 -26.361 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.596 14.531 -26.591 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.516 15.702 -26.739 1.00 0.00 C ATOM 0 H THR A 119 13.696 14.272 -23.908 1.00 0.00 H new ATOM 0 HA THR A 119 10.851 14.213 -24.724 1.00 0.00 H new ATOM 0 HB THR A 119 11.804 13.584 -26.981 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.989 13.652 -26.771 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.752 15.950 -27.774 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.437 15.596 -26.628 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.871 16.498 -26.085 1.00 0.00 H new ATOM 1816 N TRP A 120 11.335 11.596 -25.236 1.00 0.00 N ATOM 1817 CA TRP A 120 11.599 10.162 -25.145 1.00 0.00 C ATOM 1818 C TRP A 120 11.267 9.429 -26.435 1.00 0.00 C ATOM 1819 O TRP A 120 10.597 9.973 -27.318 1.00 0.00 O ATOM 1820 CB TRP A 120 10.871 9.519 -23.948 1.00 0.00 C ATOM 1821 CG TRP A 120 9.397 9.265 -24.072 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.433 10.205 -24.168 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.691 7.982 -24.083 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.188 9.608 -24.165 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.286 8.235 -24.096 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.094 6.629 -24.076 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.337 7.203 -24.052 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.152 5.586 -24.009 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.774 5.869 -23.995 1.00 0.00 C ATOM 0 H TRP A 120 10.504 11.842 -25.774 1.00 0.00 H new ATOM 0 HA TRP A 120 12.672 10.061 -24.980 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.357 8.567 -23.734 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.027 10.159 -23.079 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.610 11.268 -24.237 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.306 10.119 -24.208 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.146 6.390 -24.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.281 7.432 -24.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.489 4.561 -23.968 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.055 5.065 -23.941 1.00 0.00 H new ATOM 1840 N ALA A 121 11.721 8.178 -26.511 1.00 0.00 N ATOM 1841 CA ALA A 121 11.361 7.216 -27.535 1.00 0.00 C ATOM 1842 C ALA A 121 11.311 5.837 -26.878 1.00 0.00 C ATOM 1843 O ALA A 121 12.110 5.539 -25.988 1.00 0.00 O ATOM 1844 CB ALA A 121 12.386 7.229 -28.676 1.00 0.00 C ATOM 0 H ALA A 121 12.377 7.798 -25.829 1.00 0.00 H new ATOM 0 HA ALA A 121 10.392 7.469 -27.965 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.097 6.500 -29.433 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.420 8.223 -29.123 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.370 6.974 -28.284 1.00 0.00 H new