USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=29 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= -0.266 K(o=-0.34,f=-4.4!) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= -0.0745 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.853 K(o=2.1,f=-4.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 77:sc= 1.24 USER MOD Set 3.1: A 80 SER OG : rot 116:sc= 0.438 USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0.164 USER MOD Set 4.1: A 64 MET CE :methyl -170:sc= -0.221 (180deg=-0.44) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.02 K(o=0.8,f=-0.4) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.3,f=-5!) USER MOD Set 5.2: A 40 SER OG : rot -101:sc= 1.25 USER MOD Set 6.1: A 22 TYR OH : rot -132:sc= 0.946 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -0.741 X(o=1.1,f=0.95) USER MOD Set 6.3: A 105 SER OG : rot -80:sc= 0.871 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.15 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 160:sc= -0.0254 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= 2.76 (180deg=0.703) USER MOD Single : A 47 TYR OH : rot 150:sc= 0 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+ -152:sc= 0.152 (180deg=0.00769) USER MOD Single : A 61 SER OG : rot -78:sc= 1.28 USER MOD Single : A 65 GLN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.627) USER MOD Single : A 69 CYS SG : rot -140:sc= -0.443 USER MOD Single : A 71 CYS SG : rot 67:sc= -2.09 USER MOD Single : A 73 CYS SG : rot 150:sc= 1.87 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -170:sc= 0 (180deg=-0.132) USER MOD Single : A 97 TYR OH : rot 80:sc= -0.0615 USER MOD Single : A 101 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 108 LYS NZ :NH3+ 153:sc= 1.79 (180deg=0.113) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.433 11.449 4.204 1.00 0.00 N ATOM 57 CA ASP A 5 7.186 11.203 3.480 1.00 0.00 C ATOM 58 C ASP A 5 7.500 11.213 1.989 1.00 0.00 C ATOM 59 O ASP A 5 8.473 11.852 1.583 1.00 0.00 O ATOM 60 CB ASP A 5 6.163 12.298 3.814 1.00 0.00 C ATOM 61 CG ASP A 5 4.870 12.105 3.009 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.027 11.275 3.413 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.718 12.756 1.953 1.00 0.00 O ATOM 0 HA ASP A 5 6.761 10.241 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.938 12.278 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.589 13.277 3.596 1.00 0.00 H new ATOM 68 N LEU A 6 6.696 10.535 1.163 1.00 0.00 N ATOM 69 CA LEU A 6 6.912 10.433 -0.278 1.00 0.00 C ATOM 70 C LEU A 6 7.037 11.804 -0.950 1.00 0.00 C ATOM 71 O LEU A 6 7.791 11.924 -1.916 1.00 0.00 O ATOM 72 CB LEU A 6 5.771 9.640 -0.938 1.00 0.00 C ATOM 73 CG LEU A 6 5.622 8.169 -0.507 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.414 7.541 -1.214 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.881 7.339 -0.785 1.00 0.00 C ATOM 0 H LEU A 6 5.866 10.036 1.484 1.00 0.00 H new ATOM 0 HA LEU A 6 7.857 9.908 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.833 10.154 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.916 9.667 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 6 5.469 8.164 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.313 6.500 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.510 8.088 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.559 7.587 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.718 6.311 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.097 7.353 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.724 7.762 -0.239 1.00 0.00 H new ATOM 87 N ALA A 7 6.351 12.842 -0.459 1.00 0.00 N ATOM 88 CA ALA A 7 6.465 14.187 -1.005 1.00 0.00 C ATOM 89 C ALA A 7 7.862 14.789 -0.785 1.00 0.00 C ATOM 90 O ALA A 7 8.274 15.668 -1.544 1.00 0.00 O ATOM 91 CB ALA A 7 5.399 15.092 -0.379 1.00 0.00 C ATOM 0 H ALA A 7 5.704 12.767 0.326 1.00 0.00 H new ATOM 0 HA ALA A 7 6.308 14.119 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.488 16.097 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.408 14.695 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.541 15.128 0.701 1.00 0.00 H new ATOM 97 N LEU A 8 8.579 14.344 0.252 1.00 0.00 N ATOM 98 CA LEU A 8 9.893 14.857 0.628 1.00 0.00 C ATOM 99 C LEU A 8 11.013 14.083 -0.071 1.00 0.00 C ATOM 100 O LEU A 8 12.105 14.631 -0.233 1.00 0.00 O ATOM 101 CB LEU A 8 10.089 14.775 2.155 1.00 0.00 C ATOM 102 CG LEU A 8 9.048 15.545 2.993 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.326 15.334 4.485 1.00 0.00 C ATOM 104 CD2 LEU A 8 9.041 17.048 2.685 1.00 0.00 C ATOM 0 H LEU A 8 8.250 13.599 0.866 1.00 0.00 H new ATOM 0 HA LEU A 8 9.940 15.899 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.067 13.727 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.081 15.155 2.399 1.00 0.00 H new ATOM 0 HG LEU A 8 8.067 15.150 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.588 15.880 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.264 14.271 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.324 15.701 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.290 17.542 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.023 17.468 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.804 17.203 1.632 1.00 0.00 H new ATOM 116 N ILE A 9 10.773 12.830 -0.480 1.00 0.00 N ATOM 117 CA ILE A 9 11.760 12.028 -1.204 1.00 0.00 C ATOM 118 C ILE A 9 12.101 12.771 -2.514 1.00 0.00 C ATOM 119 O ILE A 9 11.163 13.128 -3.239 1.00 0.00 O ATOM 120 CB ILE A 9 11.215 10.604 -1.462 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.900 9.914 -0.121 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.200 9.762 -2.296 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.429 8.467 -0.232 1.00 0.00 C ATOM 0 H ILE A 9 9.889 12.347 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 9 12.670 11.906 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 9 10.296 10.690 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.793 9.942 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.133 10.491 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.783 8.768 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.368 10.245 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.147 9.676 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.233 8.071 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.515 8.426 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.202 7.869 -0.715 1.00 0.00 H new ATOM 135 N PRO A 10 13.389 12.980 -2.856 1.00 0.00 N ATOM 136 CA PRO A 10 13.790 13.703 -4.059 1.00 0.00 C ATOM 137 C PRO A 10 13.269 12.975 -5.298 1.00 0.00 C ATOM 138 O PRO A 10 13.647 11.832 -5.566 1.00 0.00 O ATOM 139 CB PRO A 10 15.320 13.811 -4.011 1.00 0.00 C ATOM 140 CG PRO A 10 15.744 12.689 -3.065 1.00 0.00 C ATOM 141 CD PRO A 10 14.565 12.564 -2.103 1.00 0.00 C ATOM 0 HA PRO A 10 13.366 14.706 -4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.760 13.685 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.639 14.786 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.923 11.758 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.666 12.936 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.458 11.539 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.709 13.193 -1.225 1.00 0.00 H new ATOM 149 N ASP A 11 12.389 13.637 -6.047 1.00 0.00 N ATOM 150 CA ASP A 11 11.616 13.025 -7.127 1.00 0.00 C ATOM 151 C ASP A 11 12.448 12.740 -8.380 1.00 0.00 C ATOM 152 O ASP A 11 12.298 11.691 -9.010 1.00 0.00 O ATOM 153 CB ASP A 11 10.424 13.935 -7.448 1.00 0.00 C ATOM 154 CG ASP A 11 9.255 13.125 -8.000 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.676 12.333 -7.221 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.883 13.289 -9.180 1.00 0.00 O ATOM 0 H ASP A 11 12.190 14.629 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 11 11.268 12.050 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.112 14.464 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.723 14.691 -8.174 1.00 0.00 H new ATOM 161 N VAL A 12 13.404 13.620 -8.691 1.00 0.00 N ATOM 162 CA VAL A 12 14.275 13.535 -9.862 1.00 0.00 C ATOM 163 C VAL A 12 15.675 13.945 -9.408 1.00 0.00 C ATOM 164 O VAL A 12 15.825 14.948 -8.706 1.00 0.00 O ATOM 165 CB VAL A 12 13.758 14.466 -10.983 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.650 14.436 -12.235 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.332 14.115 -11.422 1.00 0.00 C ATOM 0 H VAL A 12 13.598 14.438 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 12 14.290 12.524 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 12 13.777 15.463 -10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.240 15.107 -12.990 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.658 14.757 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.685 13.422 -12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.016 14.798 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.308 13.092 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.657 14.206 -10.571 1.00 0.00 H new ATOM 177 N ASP A 13 16.690 13.184 -9.817 1.00 0.00 N ATOM 178 CA ASP A 13 18.093 13.542 -9.647 1.00 0.00 C ATOM 179 C ASP A 13 18.859 12.831 -10.762 1.00 0.00 C ATOM 180 O ASP A 13 18.926 11.599 -10.769 1.00 0.00 O ATOM 181 CB ASP A 13 18.608 13.127 -8.257 1.00 0.00 C ATOM 182 CG ASP A 13 19.984 13.742 -7.927 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.710 14.200 -8.837 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.324 13.824 -6.724 1.00 0.00 O ATOM 0 H ASP A 13 16.555 12.287 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 13 18.232 14.621 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.886 13.433 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.679 12.040 -8.209 1.00 0.00 H new ATOM 189 N ILE A 14 19.348 13.587 -11.747 1.00 0.00 N ATOM 190 CA ILE A 14 20.045 13.060 -12.915 1.00 0.00 C ATOM 191 C ILE A 14 21.282 13.925 -13.172 1.00 0.00 C ATOM 192 O ILE A 14 21.212 15.156 -13.111 1.00 0.00 O ATOM 193 CB ILE A 14 19.110 12.951 -14.148 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.369 14.266 -14.494 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.113 11.791 -13.953 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.611 14.217 -15.826 1.00 0.00 C ATOM 0 H ILE A 14 19.267 14.604 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 14 20.371 12.038 -12.722 1.00 0.00 H new ATOM 0 HB ILE A 14 19.751 12.746 -15.005 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.665 14.497 -13.694 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.092 15.081 -14.528 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.461 11.722 -14.823 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.661 10.856 -13.835 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.512 11.974 -13.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.118 15.173 -15.999 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.312 14.018 -16.637 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.863 13.425 -15.790 1.00 0.00 H new ATOM 266 N PHE A 20 24.531 8.823 -20.177 1.00 0.00 N ATOM 267 CA PHE A 20 24.647 8.068 -18.928 1.00 0.00 C ATOM 268 C PHE A 20 23.413 7.179 -18.755 1.00 0.00 C ATOM 269 O PHE A 20 22.390 7.394 -19.411 1.00 0.00 O ATOM 270 CB PHE A 20 24.815 9.024 -17.729 1.00 0.00 C ATOM 271 CG PHE A 20 23.733 10.081 -17.578 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.766 11.250 -18.361 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.681 9.892 -16.664 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.743 12.206 -18.252 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.674 10.864 -16.527 1.00 0.00 C ATOM 276 CZ PHE A 20 21.704 12.021 -17.322 1.00 0.00 C ATOM 0 HA PHE A 20 25.533 7.435 -18.970 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.849 8.430 -16.815 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.779 9.526 -17.819 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.582 11.413 -19.049 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.646 8.995 -16.064 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.754 13.083 -18.882 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.878 10.721 -15.811 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.931 12.768 -17.220 1.00 0.00 H new ATOM 286 N LYS A 21 23.499 6.157 -17.898 1.00 0.00 N ATOM 287 CA LYS A 21 22.385 5.233 -17.676 1.00 0.00 C ATOM 288 C LYS A 21 21.442 5.807 -16.628 1.00 0.00 C ATOM 289 O LYS A 21 21.842 6.649 -15.822 1.00 0.00 O ATOM 290 CB LYS A 21 22.883 3.848 -17.216 1.00 0.00 C ATOM 291 CG LYS A 21 24.018 3.221 -18.043 1.00 0.00 C ATOM 292 CD LYS A 21 23.659 2.985 -19.520 1.00 0.00 C ATOM 293 CE LYS A 21 24.855 2.470 -20.340 1.00 0.00 C ATOM 294 NZ LYS A 21 25.352 1.138 -19.906 1.00 0.00 N ATOM 0 H LYS A 21 24.331 5.949 -17.346 1.00 0.00 H new ATOM 0 HA LYS A 21 21.859 5.108 -18.622 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.219 3.932 -16.182 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.037 3.161 -17.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 24.892 3.870 -17.991 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.300 2.270 -17.592 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.843 2.265 -19.582 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.297 3.916 -19.956 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.567 2.415 -21.390 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.669 3.191 -20.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.051 0.788 -20.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.797 1.222 -18.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.556 0.471 -19.853 1.00 0.00 H new ATOM 308 N TYR A 22 20.204 5.317 -16.604 1.00 0.00 N ATOM 309 CA TYR A 22 19.189 5.757 -15.660 1.00 0.00 C ATOM 310 C TYR A 22 18.282 4.570 -15.296 1.00 0.00 C ATOM 311 O TYR A 22 18.272 3.547 -15.990 1.00 0.00 O ATOM 312 CB TYR A 22 18.435 6.968 -16.251 1.00 0.00 C ATOM 313 CG TYR A 22 16.963 6.731 -16.488 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.570 5.896 -17.546 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.012 7.209 -15.566 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.235 5.492 -17.654 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.667 6.825 -15.685 1.00 0.00 C ATOM 318 CZ TYR A 22 14.279 5.957 -16.727 1.00 0.00 C ATOM 319 OH TYR A 22 12.984 5.571 -16.848 1.00 0.00 O ATOM 0 H TYR A 22 19.878 4.596 -17.248 1.00 0.00 H new ATOM 0 HA TYR A 22 19.636 6.098 -14.726 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.550 7.817 -15.577 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.903 7.246 -17.196 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.296 5.567 -18.274 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.317 7.870 -14.768 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.936 4.824 -18.448 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.933 7.192 -14.983 1.00 0.00 H new ATOM 0 HH TYR A 22 12.401 6.355 -16.773 1.00 0.00 H new ATOM 329 N VAL A 23 17.506 4.704 -14.221 1.00 0.00 N ATOM 330 CA VAL A 23 16.536 3.715 -13.773 1.00 0.00 C ATOM 331 C VAL A 23 15.324 4.452 -13.184 1.00 0.00 C ATOM 332 O VAL A 23 15.441 5.593 -12.719 1.00 0.00 O ATOM 333 CB VAL A 23 17.238 2.734 -12.801 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.561 3.370 -11.440 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.457 1.429 -12.593 1.00 0.00 C ATOM 0 H VAL A 23 17.539 5.529 -13.623 1.00 0.00 H new ATOM 0 HA VAL A 23 16.152 3.104 -14.590 1.00 0.00 H new ATOM 0 HB VAL A 23 18.179 2.488 -13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.052 2.635 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.223 4.224 -11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.638 3.703 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.001 0.785 -11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.474 1.655 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.340 0.919 -13.549 1.00 0.00 H new ATOM 345 N LEU A 24 14.167 3.784 -13.181 1.00 0.00 N ATOM 346 CA LEU A 24 12.915 4.273 -12.624 1.00 0.00 C ATOM 347 C LEU A 24 12.549 3.298 -11.519 1.00 0.00 C ATOM 348 O LEU A 24 12.301 2.127 -11.817 1.00 0.00 O ATOM 349 CB LEU A 24 11.842 4.305 -13.728 1.00 0.00 C ATOM 350 CG LEU A 24 10.462 4.863 -13.316 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.524 6.356 -12.971 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.476 4.663 -14.472 1.00 0.00 C ATOM 0 H LEU A 24 14.080 2.851 -13.584 1.00 0.00 H new ATOM 0 HA LEU A 24 12.997 5.286 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.220 4.903 -14.557 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.704 3.291 -14.103 1.00 0.00 H new ATOM 0 HG LEU A 24 10.137 4.324 -12.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.531 6.705 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.214 6.509 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.871 6.916 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.499 5.055 -14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.837 5.192 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.390 3.600 -14.697 1.00 0.00 H new ATOM 364 N ILE A 25 12.536 3.738 -10.259 1.00 0.00 N ATOM 365 CA ILE A 25 12.267 2.846 -9.134 1.00 0.00 C ATOM 366 C ILE A 25 10.993 3.317 -8.438 1.00 0.00 C ATOM 367 O ILE A 25 10.837 4.508 -8.167 1.00 0.00 O ATOM 368 CB ILE A 25 13.510 2.597 -8.222 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.399 3.158 -6.787 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.861 3.015 -8.848 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.447 2.602 -5.817 1.00 0.00 C ATOM 0 H ILE A 25 12.709 4.708 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 25 12.074 1.835 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 25 13.502 1.510 -8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.493 4.243 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.405 2.937 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.668 2.806 -8.145 1.00 0.00 H new ATOM 0 HG22 ILE A 25 15.026 2.453 -9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.843 4.081 -9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.302 3.045 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.341 1.519 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.445 2.846 -6.181 1.00 0.00 H new ATOM 383 N ARG A 26 10.070 2.387 -8.188 1.00 0.00 N ATOM 384 CA ARG A 26 8.898 2.609 -7.352 1.00 0.00 C ATOM 385 C ARG A 26 9.344 2.613 -5.899 1.00 0.00 C ATOM 386 O ARG A 26 10.258 1.870 -5.547 1.00 0.00 O ATOM 387 CB ARG A 26 7.863 1.505 -7.611 1.00 0.00 C ATOM 388 CG ARG A 26 6.582 1.678 -6.773 1.00 0.00 C ATOM 389 CD ARG A 26 5.395 0.918 -7.372 1.00 0.00 C ATOM 390 NE ARG A 26 4.860 1.643 -8.532 1.00 0.00 N ATOM 391 CZ ARG A 26 4.111 1.167 -9.528 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.773 -0.118 -9.595 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.716 2.030 -10.451 1.00 0.00 N ATOM 0 H ARG A 26 10.121 1.442 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 26 8.431 3.566 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.601 1.500 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.309 0.536 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.763 1.325 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.335 2.737 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.708 -0.082 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.616 0.795 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 26 5.090 2.635 -8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.088 -0.766 -8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.199 -0.455 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.986 3.011 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.142 1.714 -11.232 1.00 0.00 H new ATOM 407 N VAL A 27 8.666 3.394 -5.070 1.00 0.00 N ATOM 408 CA VAL A 27 8.965 3.627 -3.670 1.00 0.00 C ATOM 409 C VAL A 27 7.605 3.606 -2.972 1.00 0.00 C ATOM 410 O VAL A 27 6.732 4.399 -3.327 1.00 0.00 O ATOM 411 CB VAL A 27 9.662 5.003 -3.539 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.090 5.299 -2.102 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.894 5.167 -4.445 1.00 0.00 C ATOM 0 H VAL A 27 7.843 3.912 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 27 9.634 2.887 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 27 8.901 5.713 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.574 6.275 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.213 5.301 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.788 4.533 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.326 6.156 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.633 4.406 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.596 5.055 -5.488 1.00 0.00 H new ATOM 423 N HIS A 28 7.385 2.690 -2.030 1.00 0.00 N ATOM 424 CA HIS A 28 6.154 2.641 -1.238 1.00 0.00 C ATOM 425 C HIS A 28 6.355 3.472 0.035 1.00 0.00 C ATOM 426 O HIS A 28 7.477 3.530 0.548 1.00 0.00 O ATOM 427 CB HIS A 28 5.837 1.183 -0.885 1.00 0.00 C ATOM 428 CG HIS A 28 5.695 0.288 -2.096 1.00 0.00 C ATOM 429 ND1 HIS A 28 4.744 0.387 -3.087 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.502 -0.768 -2.424 1.00 0.00 C ATOM 431 CE1 HIS A 28 4.963 -0.593 -3.977 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.031 -1.330 -3.620 1.00 0.00 N ATOM 0 H HIS A 28 8.056 1.959 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 28 5.319 3.051 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.628 0.792 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.913 1.150 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.356 -1.110 -1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.364 -0.767 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.418 -2.132 -4.117 1.00 0.00 H new ATOM 440 N SER A 29 5.301 4.100 0.570 1.00 0.00 N ATOM 441 CA SER A 29 5.400 4.873 1.804 1.00 0.00 C ATOM 442 C SER A 29 5.653 3.930 2.986 1.00 0.00 C ATOM 443 O SER A 29 4.733 3.265 3.468 1.00 0.00 O ATOM 444 CB SER A 29 4.159 5.757 2.021 1.00 0.00 C ATOM 445 OG SER A 29 2.946 5.054 1.897 1.00 0.00 O ATOM 0 H SER A 29 4.367 4.085 0.161 1.00 0.00 H new ATOM 0 HA SER A 29 6.247 5.554 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.211 6.207 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.173 6.574 1.300 1.00 0.00 H new ATOM 0 HG SER A 29 2.231 5.553 2.345 1.00 0.00 H new ATOM 451 N ALA A 30 6.899 3.870 3.456 1.00 0.00 N ATOM 452 CA ALA A 30 7.275 3.202 4.693 1.00 0.00 C ATOM 453 C ALA A 30 8.442 3.877 5.460 1.00 0.00 C ATOM 454 O ALA A 30 9.090 3.153 6.220 1.00 0.00 O ATOM 455 CB ALA A 30 7.550 1.719 4.386 1.00 0.00 C ATOM 0 H ALA A 30 7.690 4.296 2.973 1.00 0.00 H new ATOM 0 HA ALA A 30 6.437 3.288 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.833 1.204 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.651 1.260 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.361 1.642 3.661 1.00 0.00 H new ATOM 461 N PRO A 31 8.774 5.190 5.330 1.00 0.00 N ATOM 462 CA PRO A 31 9.796 5.814 6.172 1.00 0.00 C ATOM 463 C PRO A 31 9.739 5.406 7.652 1.00 0.00 C ATOM 464 O PRO A 31 8.701 5.525 8.307 1.00 0.00 O ATOM 465 CB PRO A 31 9.648 7.321 5.983 1.00 0.00 C ATOM 466 CG PRO A 31 9.230 7.410 4.521 1.00 0.00 C ATOM 467 CD PRO A 31 8.282 6.215 4.402 1.00 0.00 C ATOM 0 HA PRO A 31 10.780 5.464 5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.897 7.745 6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.581 7.851 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.732 8.353 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.081 7.327 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.261 6.505 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.265 5.835 3.380 1.00 0.00 H new ATOM 475 N ARG A 32 10.876 4.896 8.140 1.00 0.00 N ATOM 476 CA ARG A 32 11.132 4.273 9.444 1.00 0.00 C ATOM 477 C ARG A 32 9.942 3.470 9.996 1.00 0.00 C ATOM 478 O ARG A 32 9.690 3.487 11.202 1.00 0.00 O ATOM 479 CB ARG A 32 11.696 5.318 10.431 1.00 0.00 C ATOM 480 CG ARG A 32 12.938 6.089 9.934 1.00 0.00 C ATOM 481 CD ARG A 32 14.135 5.213 9.522 1.00 0.00 C ATOM 482 NE ARG A 32 14.642 4.394 10.636 1.00 0.00 N ATOM 483 CZ ARG A 32 15.628 3.489 10.559 1.00 0.00 C ATOM 484 NH1 ARG A 32 16.277 3.275 9.417 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.961 2.792 11.640 1.00 0.00 N ATOM 0 H ARG A 32 11.725 4.911 7.574 1.00 0.00 H new ATOM 0 HA ARG A 32 11.898 3.511 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.910 6.037 10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.950 4.814 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.647 6.702 9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.261 6.770 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.838 4.561 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.937 5.850 9.149 1.00 0.00 H new ATOM 0 HE ARG A 32 14.204 4.527 11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.027 3.804 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.025 2.582 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.468 2.948 12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.710 2.101 11.591 1.00 0.00 H new ATOM 499 N SER A 33 9.220 2.764 9.121 1.00 0.00 N ATOM 500 CA SER A 33 8.056 1.944 9.455 1.00 0.00 C ATOM 501 C SER A 33 6.985 2.716 10.253 1.00 0.00 C ATOM 502 O SER A 33 6.264 2.122 11.060 1.00 0.00 O ATOM 503 CB SER A 33 8.523 0.648 10.143 1.00 0.00 C ATOM 504 OG SER A 33 9.570 0.023 9.410 1.00 0.00 O ATOM 0 H SER A 33 9.440 2.748 8.125 1.00 0.00 H new ATOM 0 HA SER A 33 7.547 1.668 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.867 0.873 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.682 -0.039 10.238 1.00 0.00 H new ATOM 0 HG SER A 33 9.848 -0.796 9.871 1.00 0.00 H new ATOM 510 N GLY A 34 6.870 4.033 10.037 1.00 0.00 N ATOM 511 CA GLY A 34 5.952 4.919 10.752 1.00 0.00 C ATOM 512 C GLY A 34 5.127 5.794 9.807 1.00 0.00 C ATOM 513 O GLY A 34 4.531 6.776 10.253 1.00 0.00 O ATOM 0 H GLY A 34 7.431 4.522 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.280 4.321 11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.521 5.557 11.429 1.00 0.00 H new ATOM 551 N ALA A 38 0.083 3.398 2.834 1.00 0.00 N ATOM 552 CA ALA A 38 0.843 2.529 1.938 1.00 0.00 C ATOM 553 C ALA A 38 0.585 2.956 0.489 1.00 0.00 C ATOM 554 O ALA A 38 0.200 2.153 -0.367 1.00 0.00 O ATOM 555 CB ALA A 38 0.515 1.058 2.220 1.00 0.00 C ATOM 0 HA ALA A 38 1.914 2.631 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.088 0.422 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.773 0.819 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.550 0.886 2.064 1.00 0.00 H new ATOM 561 N GLU A 39 0.729 4.259 0.245 1.00 0.00 N ATOM 562 CA GLU A 39 0.743 4.838 -1.088 1.00 0.00 C ATOM 563 C GLU A 39 2.091 4.521 -1.759 1.00 0.00 C ATOM 564 O GLU A 39 2.984 3.928 -1.143 1.00 0.00 O ATOM 565 CB GLU A 39 0.503 6.356 -0.997 1.00 0.00 C ATOM 566 CG GLU A 39 -0.896 6.697 -0.462 1.00 0.00 C ATOM 567 CD GLU A 39 -1.167 8.211 -0.512 1.00 0.00 C ATOM 568 OE1 GLU A 39 -0.855 8.929 0.466 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.716 8.701 -1.526 1.00 0.00 O ATOM 0 H GLU A 39 0.841 4.950 0.987 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.055 4.409 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.256 6.802 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.630 6.801 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.649 6.172 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.990 6.344 0.565 1.00 0.00 H new ATOM 576 N SER A 40 2.260 4.936 -3.018 1.00 0.00 N ATOM 577 CA SER A 40 3.489 4.727 -3.775 1.00 0.00 C ATOM 578 C SER A 40 3.846 5.967 -4.602 1.00 0.00 C ATOM 579 O SER A 40 3.007 6.831 -4.871 1.00 0.00 O ATOM 580 CB SER A 40 3.371 3.484 -4.667 1.00 0.00 C ATOM 581 OG SER A 40 2.884 2.360 -3.951 1.00 0.00 O ATOM 0 H SER A 40 1.538 5.431 -3.542 1.00 0.00 H new ATOM 0 HA SER A 40 4.299 4.559 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.704 3.699 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.347 3.248 -5.091 1.00 0.00 H new ATOM 0 HG SER A 40 3.632 1.770 -3.721 1.00 0.00 H new ATOM 587 N LYS A 41 5.116 6.032 -4.992 1.00 0.00 N ATOM 588 CA LYS A 41 5.804 7.098 -5.711 1.00 0.00 C ATOM 589 C LYS A 41 6.766 6.393 -6.668 1.00 0.00 C ATOM 590 O LYS A 41 7.067 5.214 -6.480 1.00 0.00 O ATOM 591 CB LYS A 41 6.563 7.920 -4.644 1.00 0.00 C ATOM 592 CG LYS A 41 7.370 9.154 -5.087 1.00 0.00 C ATOM 593 CD LYS A 41 8.522 9.429 -4.112 1.00 0.00 C ATOM 594 CE LYS A 41 9.443 10.549 -4.616 1.00 0.00 C ATOM 595 NZ LYS A 41 8.877 11.911 -4.496 1.00 0.00 N ATOM 0 H LYS A 41 5.752 5.260 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 41 5.150 7.764 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.834 8.252 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.249 7.244 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.766 8.994 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.715 10.024 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.116 9.703 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.103 8.518 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.380 10.509 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.684 10.360 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.617 12.567 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.518 12.221 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.098 11.904 -3.807 1.00 0.00 H new ATOM 609 N GLU A 42 7.300 7.094 -7.658 1.00 0.00 N ATOM 610 CA GLU A 42 8.386 6.624 -8.500 1.00 0.00 C ATOM 611 C GLU A 42 9.447 7.722 -8.476 1.00 0.00 C ATOM 612 O GLU A 42 9.096 8.901 -8.362 1.00 0.00 O ATOM 613 CB GLU A 42 7.914 6.365 -9.939 1.00 0.00 C ATOM 614 CG GLU A 42 6.996 5.149 -10.132 1.00 0.00 C ATOM 615 CD GLU A 42 5.533 5.331 -9.680 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.984 6.455 -9.722 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.900 4.301 -9.353 1.00 0.00 O ATOM 0 H GLU A 42 6.980 8.031 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 42 8.777 5.676 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.390 7.252 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.792 6.238 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.999 4.880 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.422 4.306 -9.587 1.00 0.00 H new ATOM 624 N ILE A 43 10.720 7.359 -8.610 1.00 0.00 N ATOM 625 CA ILE A 43 11.829 8.308 -8.646 1.00 0.00 C ATOM 626 C ILE A 43 12.720 8.015 -9.843 1.00 0.00 C ATOM 627 O ILE A 43 12.888 6.859 -10.244 1.00 0.00 O ATOM 628 CB ILE A 43 12.626 8.319 -7.321 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.156 6.932 -6.903 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.764 8.945 -6.220 1.00 0.00 C ATOM 631 CD1 ILE A 43 14.024 6.945 -5.638 1.00 0.00 C ATOM 0 H ILE A 43 11.014 6.386 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 43 11.419 9.311 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 43 13.518 8.924 -7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.309 6.265 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.738 6.515 -7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.321 8.955 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.503 9.966 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.853 8.360 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.355 5.931 -5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.893 7.583 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.441 7.330 -4.801 1.00 0.00 H new ATOM 643 N VAL A 44 13.303 9.083 -10.381 1.00 0.00 N ATOM 644 CA VAL A 44 14.113 9.073 -11.590 1.00 0.00 C ATOM 645 C VAL A 44 15.548 9.290 -11.122 1.00 0.00 C ATOM 646 O VAL A 44 15.831 10.315 -10.490 1.00 0.00 O ATOM 647 CB VAL A 44 13.627 10.206 -12.524 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.411 10.266 -13.841 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.132 10.088 -12.863 1.00 0.00 C ATOM 0 H VAL A 44 13.219 10.013 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 44 14.039 8.143 -12.153 1.00 0.00 H new ATOM 0 HB VAL A 44 13.802 11.122 -11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.027 11.079 -14.456 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.466 10.439 -13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.298 9.323 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.842 10.907 -13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.946 9.138 -13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.546 10.135 -11.945 1.00 0.00 H new ATOM 659 N ARG A 45 16.438 8.329 -11.388 1.00 0.00 N ATOM 660 CA ARG A 45 17.850 8.364 -10.997 1.00 0.00 C ATOM 661 C ARG A 45 18.677 8.085 -12.242 1.00 0.00 C ATOM 662 O ARG A 45 18.274 7.240 -13.042 1.00 0.00 O ATOM 663 CB ARG A 45 18.158 7.252 -9.972 1.00 0.00 C ATOM 664 CG ARG A 45 17.400 7.281 -8.637 1.00 0.00 C ATOM 665 CD ARG A 45 17.781 8.453 -7.717 1.00 0.00 C ATOM 666 NE ARG A 45 16.974 9.638 -8.023 1.00 0.00 N ATOM 667 CZ ARG A 45 16.100 10.243 -7.216 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.079 10.051 -5.901 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.198 11.039 -7.759 1.00 0.00 N ATOM 0 H ARG A 45 16.188 7.481 -11.896 1.00 0.00 H new ATOM 0 HA ARG A 45 18.080 9.334 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.960 6.292 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.225 7.285 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.330 7.328 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.583 6.345 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.634 8.166 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.839 8.687 -7.837 1.00 0.00 H new ATOM 0 HE ARG A 45 17.093 10.043 -8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.751 9.418 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.391 10.537 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.182 11.178 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.517 11.515 -7.168 1.00 0.00 H new ATOM 683 N GLY A 46 19.847 8.699 -12.386 1.00 0.00 N ATOM 684 CA GLY A 46 20.789 8.331 -13.431 1.00 0.00 C ATOM 685 C GLY A 46 22.053 9.161 -13.330 1.00 0.00 C ATOM 686 O GLY A 46 21.975 10.383 -13.204 1.00 0.00 O ATOM 0 H GLY A 46 20.165 9.460 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.036 7.272 -13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.330 8.476 -14.409 1.00 0.00 H new ATOM 690 N TYR A 47 23.216 8.510 -13.389 1.00 0.00 N ATOM 691 CA TYR A 47 24.504 9.169 -13.208 1.00 0.00 C ATOM 692 C TYR A 47 25.560 8.403 -13.991 1.00 0.00 C ATOM 693 O TYR A 47 25.454 7.184 -14.130 1.00 0.00 O ATOM 694 CB TYR A 47 24.913 9.182 -11.723 1.00 0.00 C ATOM 695 CG TYR A 47 23.851 9.611 -10.724 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.925 8.660 -10.256 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.819 10.925 -10.216 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.964 9.011 -9.292 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.858 11.288 -9.257 1.00 0.00 C ATOM 700 CZ TYR A 47 21.931 10.330 -8.783 1.00 0.00 C ATOM 701 OH TYR A 47 21.051 10.677 -7.805 1.00 0.00 O ATOM 0 H TYR A 47 23.288 7.508 -13.564 1.00 0.00 H new ATOM 0 HA TYR A 47 24.421 10.197 -13.561 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.248 8.180 -11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.771 9.845 -11.613 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.953 7.651 -10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.535 11.655 -10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.254 8.277 -8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.827 12.300 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 47 21.437 11.391 -7.255 1.00 0.00 H new ATOM 711 N LYS A 48 26.618 9.087 -14.442 1.00 0.00 N ATOM 712 CA LYS A 48 27.731 8.431 -15.131 1.00 0.00 C ATOM 713 C LYS A 48 28.421 7.373 -14.265 1.00 0.00 C ATOM 714 O LYS A 48 28.944 6.407 -14.820 1.00 0.00 O ATOM 715 CB LYS A 48 28.744 9.457 -15.672 1.00 0.00 C ATOM 716 CG LYS A 48 29.278 10.444 -14.619 1.00 0.00 C ATOM 717 CD LYS A 48 30.479 11.231 -15.161 1.00 0.00 C ATOM 718 CE LYS A 48 30.815 12.456 -14.296 1.00 0.00 C ATOM 719 NZ LYS A 48 29.873 13.580 -14.518 1.00 0.00 N ATOM 0 H LYS A 48 26.725 10.096 -14.341 1.00 0.00 H new ATOM 0 HA LYS A 48 27.298 7.905 -15.982 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.586 8.921 -16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.274 10.023 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.487 11.135 -14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.571 9.900 -13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.348 10.575 -15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.267 11.556 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.795 12.171 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.830 12.787 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.141 14.382 -13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.910 13.872 -15.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.907 13.275 -14.282 1.00 0.00 H new ATOM 733 N TRP A 49 28.427 7.522 -12.932 1.00 0.00 N ATOM 734 CA TRP A 49 29.044 6.527 -12.060 1.00 0.00 C ATOM 735 C TRP A 49 28.295 5.190 -12.101 1.00 0.00 C ATOM 736 O TRP A 49 28.927 4.147 -11.919 1.00 0.00 O ATOM 737 CB TRP A 49 29.252 7.061 -10.631 1.00 0.00 C ATOM 738 CG TRP A 49 28.115 7.743 -9.918 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.070 9.064 -9.625 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.908 7.174 -9.319 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.940 9.346 -8.887 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.183 8.217 -8.663 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.346 5.883 -9.250 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.971 7.989 -7.990 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.101 5.654 -8.637 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.406 6.703 -8.014 1.00 0.00 C ATOM 0 H TRP A 49 28.014 8.316 -12.443 1.00 0.00 H new ATOM 0 HA TRP A 49 30.042 6.326 -12.451 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.568 6.221 -10.012 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.085 7.764 -10.664 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.811 9.790 -9.925 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.695 10.276 -8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.884 5.050 -9.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.480 8.792 -7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.675 4.661 -8.646 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.444 6.523 -7.557 1.00 0.00 H new ATOM 757 N ALA A 50 26.986 5.183 -12.385 1.00 0.00 N ATOM 758 CA ALA A 50 26.254 3.960 -12.653 1.00 0.00 C ATOM 759 C ALA A 50 26.424 3.614 -14.129 1.00 0.00 C ATOM 760 O ALA A 50 25.565 3.912 -14.958 1.00 0.00 O ATOM 761 CB ALA A 50 24.791 4.088 -12.241 1.00 0.00 C ATOM 0 H ALA A 50 26.416 6.027 -12.433 1.00 0.00 H new ATOM 0 HA ALA A 50 26.655 3.142 -12.054 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.270 3.155 -12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.731 4.301 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.325 4.900 -12.800 1.00 0.00 H new ATOM 767 N GLU A 51 27.550 2.981 -14.462 1.00 0.00 N ATOM 768 CA GLU A 51 27.805 2.466 -15.807 1.00 0.00 C ATOM 769 C GLU A 51 26.779 1.388 -16.205 1.00 0.00 C ATOM 770 O GLU A 51 26.650 1.068 -17.388 1.00 0.00 O ATOM 771 CB GLU A 51 29.234 1.904 -15.897 1.00 0.00 C ATOM 772 CG GLU A 51 30.305 2.982 -15.679 1.00 0.00 C ATOM 773 CD GLU A 51 31.722 2.421 -15.891 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.347 1.939 -14.919 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.240 2.472 -17.031 1.00 0.00 O ATOM 0 H GLU A 51 28.312 2.811 -13.805 1.00 0.00 H new ATOM 0 HA GLU A 51 27.702 3.295 -16.508 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.359 1.117 -15.153 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.379 1.445 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.134 3.810 -16.367 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.219 3.383 -14.669 1.00 0.00 H new ATOM 782 N TYR A 52 26.032 0.846 -15.237 1.00 0.00 N ATOM 783 CA TYR A 52 24.986 -0.145 -15.416 1.00 0.00 C ATOM 784 C TYR A 52 23.819 0.229 -14.502 1.00 0.00 C ATOM 785 O TYR A 52 24.021 0.661 -13.366 1.00 0.00 O ATOM 786 CB TYR A 52 25.494 -1.572 -15.130 1.00 0.00 C ATOM 787 CG TYR A 52 26.589 -1.703 -14.087 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.915 -1.402 -14.443 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.295 -2.137 -12.782 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.949 -1.518 -13.498 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.324 -2.266 -11.830 1.00 0.00 C ATOM 792 CZ TYR A 52 28.657 -1.954 -12.184 1.00 0.00 C ATOM 793 OH TYR A 52 29.666 -2.068 -11.275 1.00 0.00 O ATOM 0 H TYR A 52 26.154 1.106 -14.258 1.00 0.00 H new ATOM 0 HA TYR A 52 24.657 -0.147 -16.455 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.646 -2.179 -14.813 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.860 -1.998 -16.064 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.141 -1.080 -15.449 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.277 -2.372 -12.509 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.964 -1.275 -13.774 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.095 -2.603 -10.830 1.00 0.00 H new ATOM 0 HH TYR A 52 29.302 -2.378 -10.419 1.00 0.00 H new ATOM 803 N HIS A 53 22.596 0.025 -14.994 1.00 0.00 N ATOM 804 CA HIS A 53 21.341 0.322 -14.300 1.00 0.00 C ATOM 805 C HIS A 53 21.235 -0.379 -12.939 1.00 0.00 C ATOM 806 O HIS A 53 20.621 0.152 -12.013 1.00 0.00 O ATOM 807 CB HIS A 53 20.165 -0.082 -15.207 1.00 0.00 C ATOM 808 CG HIS A 53 20.283 -1.490 -15.758 1.00 0.00 C ATOM 809 ND1 HIS A 53 20.055 -2.664 -15.074 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.753 -1.837 -16.998 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.419 -3.684 -15.866 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.819 -3.235 -17.068 1.00 0.00 N ATOM 0 H HIS A 53 22.446 -0.367 -15.924 1.00 0.00 H new ATOM 0 HA HIS A 53 21.313 1.392 -14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.236 0.003 -14.643 1.00 0.00 H new ATOM 0 HB3 HIS A 53 20.099 0.621 -16.038 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.676 -2.744 -14.130 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.026 -1.151 -17.786 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.394 -4.724 -15.577 1.00 0.00 H new ATOM 820 N ALA A 54 21.835 -1.565 -12.796 1.00 0.00 N ATOM 821 CA ALA A 54 21.800 -2.297 -11.539 1.00 0.00 C ATOM 822 C ALA A 54 22.533 -1.541 -10.427 1.00 0.00 C ATOM 823 O ALA A 54 22.177 -1.701 -9.261 1.00 0.00 O ATOM 824 CB ALA A 54 22.365 -3.708 -11.734 1.00 0.00 C ATOM 0 H ALA A 54 22.350 -2.034 -13.541 1.00 0.00 H new ATOM 0 HA ALA A 54 20.761 -2.388 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.334 -4.247 -10.787 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.767 -4.240 -12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.396 -3.642 -12.080 1.00 0.00 H new ATOM 830 N ASP A 55 23.522 -0.701 -10.764 1.00 0.00 N ATOM 831 CA ASP A 55 24.269 0.051 -9.758 1.00 0.00 C ATOM 832 C ASP A 55 23.372 1.085 -9.081 1.00 0.00 C ATOM 833 O ASP A 55 23.326 1.152 -7.853 1.00 0.00 O ATOM 834 CB ASP A 55 25.476 0.763 -10.374 1.00 0.00 C ATOM 835 CG ASP A 55 26.410 1.264 -9.263 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.123 0.434 -8.654 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.450 2.485 -9.011 1.00 0.00 O ATOM 0 H ASP A 55 23.819 -0.529 -11.724 1.00 0.00 H new ATOM 0 HA ASP A 55 24.623 -0.666 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 55 26.014 0.082 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.142 1.601 -10.986 1.00 0.00 H new ATOM 842 N ILE A 56 22.613 1.855 -9.873 1.00 0.00 N ATOM 843 CA ILE A 56 21.676 2.846 -9.349 1.00 0.00 C ATOM 844 C ILE A 56 20.529 2.160 -8.617 1.00 0.00 C ATOM 845 O ILE A 56 20.140 2.662 -7.564 1.00 0.00 O ATOM 846 CB ILE A 56 21.141 3.852 -10.407 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.131 3.343 -11.872 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.841 5.208 -10.222 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.950 4.418 -12.946 1.00 0.00 C ATOM 0 H ILE A 56 22.635 1.805 -10.892 1.00 0.00 H new ATOM 0 HA ILE A 56 22.249 3.451 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 56 20.076 3.977 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.068 2.820 -12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.330 2.611 -11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.467 5.915 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.637 5.589 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.916 5.083 -10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.958 3.953 -13.932 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.999 4.928 -12.793 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.764 5.140 -12.879 1.00 0.00 H new ATOM 861 N TYR A 57 20.000 1.030 -9.112 1.00 0.00 N ATOM 862 CA TYR A 57 18.948 0.348 -8.369 1.00 0.00 C ATOM 863 C TYR A 57 19.479 -0.101 -7.007 1.00 0.00 C ATOM 864 O TYR A 57 18.837 0.182 -5.999 1.00 0.00 O ATOM 865 CB TYR A 57 18.340 -0.836 -9.131 1.00 0.00 C ATOM 866 CG TYR A 57 17.337 -1.596 -8.272 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.210 -0.933 -7.741 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.586 -2.935 -7.912 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.350 -1.593 -6.843 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.723 -3.607 -7.028 1.00 0.00 C ATOM 871 CZ TYR A 57 15.606 -2.936 -6.479 1.00 0.00 C ATOM 872 OH TYR A 57 14.799 -3.593 -5.596 1.00 0.00 O ATOM 0 H TYR A 57 20.275 0.589 -9.990 1.00 0.00 H new ATOM 0 HA TYR A 57 18.140 1.066 -8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.848 -0.475 -10.034 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.134 -1.512 -9.449 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.006 0.089 -8.026 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.445 -3.449 -8.317 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.496 -1.075 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.914 -4.638 -6.768 1.00 0.00 H new ATOM 0 HH TYR A 57 15.130 -4.507 -5.468 1.00 0.00 H new ATOM 882 N ASP A 58 20.646 -0.747 -6.940 1.00 0.00 N ATOM 883 CA ASP A 58 21.193 -1.240 -5.676 1.00 0.00 C ATOM 884 C ASP A 58 21.468 -0.091 -4.701 1.00 0.00 C ATOM 885 O ASP A 58 21.078 -0.155 -3.533 1.00 0.00 O ATOM 886 CB ASP A 58 22.478 -2.037 -5.920 1.00 0.00 C ATOM 887 CG ASP A 58 23.090 -2.492 -4.586 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.583 -3.465 -3.984 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.099 -1.899 -4.143 1.00 0.00 O ATOM 0 H ASP A 58 21.232 -0.941 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 58 20.447 -1.896 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.262 -2.905 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.195 -1.424 -6.466 1.00 0.00 H new ATOM 894 N LYS A 59 22.093 0.986 -5.188 1.00 0.00 N ATOM 895 CA LYS A 59 22.396 2.168 -4.389 1.00 0.00 C ATOM 896 C LYS A 59 21.117 2.797 -3.845 1.00 0.00 C ATOM 897 O LYS A 59 21.017 3.047 -2.643 1.00 0.00 O ATOM 898 CB LYS A 59 23.208 3.146 -5.255 1.00 0.00 C ATOM 899 CG LYS A 59 23.412 4.538 -4.628 1.00 0.00 C ATOM 900 CD LYS A 59 24.823 5.059 -4.927 1.00 0.00 C ATOM 901 CE LYS A 59 24.967 6.529 -4.510 1.00 0.00 C ATOM 902 NZ LYS A 59 26.292 7.084 -4.884 1.00 0.00 N ATOM 0 H LYS A 59 22.404 1.058 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 59 22.993 1.894 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.185 2.707 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.706 3.264 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.670 5.233 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.258 4.484 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.558 4.453 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.034 4.957 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.181 7.119 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.828 6.616 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.549 7.845 -4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.008 6.331 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.249 7.465 -5.851 1.00 0.00 H new ATOM 916 N VAL A 60 20.139 3.050 -4.710 1.00 0.00 N ATOM 917 CA VAL A 60 18.986 3.846 -4.328 1.00 0.00 C ATOM 918 C VAL A 60 17.961 3.004 -3.575 1.00 0.00 C ATOM 919 O VAL A 60 17.389 3.520 -2.621 1.00 0.00 O ATOM 920 CB VAL A 60 18.469 4.656 -5.529 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.263 5.515 -5.127 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.613 5.580 -6.004 1.00 0.00 C ATOM 0 H VAL A 60 20.125 2.716 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 60 19.270 4.605 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 60 18.156 3.976 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.914 6.079 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.461 4.871 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.556 6.206 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 60 19.275 6.168 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.901 6.249 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.471 4.975 -6.297 1.00 0.00 H new ATOM 932 N SER A 61 17.779 1.715 -3.878 1.00 0.00 N ATOM 933 CA SER A 61 16.964 0.863 -3.017 1.00 0.00 C ATOM 934 C SER A 61 17.576 0.791 -1.612 1.00 0.00 C ATOM 935 O SER A 61 16.830 0.810 -0.636 1.00 0.00 O ATOM 936 CB SER A 61 16.738 -0.526 -3.628 1.00 0.00 C ATOM 937 OG SER A 61 17.945 -1.185 -3.946 1.00 0.00 O ATOM 0 H SER A 61 18.176 1.250 -4.694 1.00 0.00 H new ATOM 0 HA SER A 61 15.975 1.313 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.168 -1.138 -2.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.134 -0.428 -4.530 1.00 0.00 H new ATOM 0 HG SER A 61 18.308 -0.818 -4.779 1.00 0.00 H new ATOM 943 N GLY A 62 18.910 0.790 -1.496 1.00 0.00 N ATOM 944 CA GLY A 62 19.605 0.848 -0.218 1.00 0.00 C ATOM 945 C GLY A 62 19.289 2.140 0.535 1.00 0.00 C ATOM 946 O GLY A 62 18.879 2.084 1.694 1.00 0.00 O ATOM 0 H GLY A 62 19.537 0.748 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.319 -0.009 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.680 0.776 -0.384 1.00 0.00 H new ATOM 950 N ASP A 63 19.430 3.302 -0.115 1.00 0.00 N ATOM 951 CA ASP A 63 19.147 4.589 0.527 1.00 0.00 C ATOM 952 C ASP A 63 17.676 4.690 0.927 1.00 0.00 C ATOM 953 O ASP A 63 17.365 5.066 2.056 1.00 0.00 O ATOM 954 CB ASP A 63 19.514 5.771 -0.375 1.00 0.00 C ATOM 955 CG ASP A 63 19.323 7.097 0.380 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.207 7.664 0.362 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.305 7.572 0.995 1.00 0.00 O ATOM 0 H ASP A 63 19.738 3.376 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 63 19.767 4.636 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.549 5.678 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.892 5.761 -1.270 1.00 0.00 H new ATOM 962 N MET A 64 16.767 4.283 0.041 1.00 0.00 N ATOM 963 CA MET A 64 15.345 4.249 0.332 1.00 0.00 C ATOM 964 C MET A 64 15.059 3.332 1.517 1.00 0.00 C ATOM 965 O MET A 64 14.318 3.733 2.407 1.00 0.00 O ATOM 966 CB MET A 64 14.559 3.789 -0.897 1.00 0.00 C ATOM 967 CG MET A 64 14.521 4.792 -2.058 1.00 0.00 C ATOM 968 SD MET A 64 13.683 6.356 -1.693 1.00 0.00 S ATOM 969 CE MET A 64 15.130 7.398 -1.376 1.00 0.00 C ATOM 0 H MET A 64 17.003 3.968 -0.900 1.00 0.00 H new ATOM 0 HA MET A 64 15.026 5.258 0.593 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.992 2.856 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.535 3.569 -0.593 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.544 5.009 -2.365 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.026 4.322 -2.908 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.807 8.353 -0.962 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.789 6.899 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.666 7.570 -2.309 1.00 0.00 H new ATOM 979 N GLN A 65 15.652 2.141 1.593 1.00 0.00 N ATOM 980 CA GLN A 65 15.448 1.225 2.707 1.00 0.00 C ATOM 981 C GLN A 65 16.025 1.775 4.014 1.00 0.00 C ATOM 982 O GLN A 65 15.439 1.539 5.070 1.00 0.00 O ATOM 983 CB GLN A 65 16.096 -0.132 2.378 1.00 0.00 C ATOM 984 CG GLN A 65 15.212 -1.062 1.538 1.00 0.00 C ATOM 985 CD GLN A 65 14.199 -1.808 2.409 1.00 0.00 C ATOM 986 OE1 GLN A 65 14.498 -2.848 2.991 1.00 0.00 O ATOM 987 NE2 GLN A 65 12.989 -1.291 2.537 1.00 0.00 N ATOM 0 H GLN A 65 16.289 1.786 0.880 1.00 0.00 H new ATOM 0 HA GLN A 65 14.374 1.103 2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.030 0.044 1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.352 -0.636 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.685 -0.480 0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.838 -1.781 1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.749 -0.427 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.295 -1.756 3.123 1.00 0.00 H new ATOM 996 N LYS A 66 17.129 2.529 3.974 1.00 0.00 N ATOM 997 CA LYS A 66 17.644 3.250 5.136 1.00 0.00 C ATOM 998 C LYS A 66 16.616 4.284 5.601 1.00 0.00 C ATOM 999 O LYS A 66 16.348 4.366 6.802 1.00 0.00 O ATOM 1000 CB LYS A 66 18.997 3.865 4.747 1.00 0.00 C ATOM 1001 CG LYS A 66 19.604 4.843 5.765 1.00 0.00 C ATOM 1002 CD LYS A 66 20.837 5.543 5.171 1.00 0.00 C ATOM 1003 CE LYS A 66 20.439 6.528 4.057 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.605 7.166 3.403 1.00 0.00 N ATOM 0 H LYS A 66 17.690 2.655 3.131 1.00 0.00 H new ATOM 0 HA LYS A 66 17.808 2.586 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.708 3.056 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.878 4.386 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.860 5.586 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.885 4.306 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.369 6.077 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.524 4.797 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.852 6.000 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.797 7.302 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.360 7.417 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.868 8.026 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.407 6.504 3.400 1.00 0.00 H new ATOM 1018 N GLN A 67 15.998 5.033 4.678 1.00 0.00 N ATOM 1019 CA GLN A 67 14.876 5.910 5.017 1.00 0.00 C ATOM 1020 C GLN A 67 13.695 5.086 5.551 1.00 0.00 C ATOM 1021 O GLN A 67 13.029 5.527 6.481 1.00 0.00 O ATOM 1022 CB GLN A 67 14.480 6.806 3.827 1.00 0.00 C ATOM 1023 CG GLN A 67 15.624 7.752 3.412 1.00 0.00 C ATOM 1024 CD GLN A 67 15.193 8.825 2.409 1.00 0.00 C ATOM 1025 OE1 GLN A 67 14.178 9.495 2.582 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.959 9.046 1.352 1.00 0.00 N ATOM 0 H GLN A 67 16.258 5.047 3.692 1.00 0.00 H new ATOM 0 HA GLN A 67 15.191 6.583 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.201 6.180 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.601 7.394 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.025 8.237 4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.433 7.164 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.802 8.490 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.706 9.772 0.682 1.00 0.00 H new ATOM 1035 N GLY A 68 13.470 3.882 5.021 1.00 0.00 N ATOM 1036 CA GLY A 68 12.517 2.866 5.479 1.00 0.00 C ATOM 1037 C GLY A 68 11.666 2.281 4.342 1.00 0.00 C ATOM 1038 O GLY A 68 10.928 1.319 4.550 1.00 0.00 O ATOM 0 H GLY A 68 13.987 3.567 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.063 2.059 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.859 3.306 6.228 1.00 0.00 H new ATOM 1042 N CYS A 69 11.756 2.852 3.142 1.00 0.00 N ATOM 1043 CA CYS A 69 10.886 2.592 2.005 1.00 0.00 C ATOM 1044 C CYS A 69 11.236 1.278 1.316 1.00 0.00 C ATOM 1045 O CYS A 69 12.408 1.028 1.027 1.00 0.00 O ATOM 1046 CB CYS A 69 11.071 3.738 1.009 1.00 0.00 C ATOM 1047 SG CYS A 69 10.362 5.267 1.670 1.00 0.00 S ATOM 0 H CYS A 69 12.476 3.543 2.930 1.00 0.00 H new ATOM 0 HA CYS A 69 9.856 2.520 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.132 3.881 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.592 3.487 0.062 1.00 0.00 H new ATOM 0 HG CYS A 69 9.759 5.914 0.717 1.00 0.00 H new ATOM 1053 N ASP A 70 10.235 0.448 1.021 1.00 0.00 N ATOM 1054 CA ASP A 70 10.395 -0.733 0.168 1.00 0.00 C ATOM 1055 C ASP A 70 10.264 -0.273 -1.284 1.00 0.00 C ATOM 1056 O ASP A 70 9.395 0.557 -1.576 1.00 0.00 O ATOM 1057 CB ASP A 70 9.333 -1.786 0.498 1.00 0.00 C ATOM 1058 CG ASP A 70 9.468 -3.012 -0.420 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.577 -3.584 -0.510 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.461 -3.425 -1.033 1.00 0.00 O ATOM 0 H ASP A 70 9.285 0.576 1.368 1.00 0.00 H new ATOM 0 HA ASP A 70 11.369 -1.193 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.432 -2.094 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.339 -1.352 0.387 1.00 0.00 H new ATOM 1065 N CYS A 71 11.125 -0.773 -2.179 1.00 0.00 N ATOM 1066 CA CYS A 71 11.260 -0.255 -3.539 1.00 0.00 C ATOM 1067 C CYS A 71 11.561 -1.351 -4.564 1.00 0.00 C ATOM 1068 O CYS A 71 12.020 -2.436 -4.200 1.00 0.00 O ATOM 1069 CB CYS A 71 12.417 0.752 -3.581 1.00 0.00 C ATOM 1070 SG CYS A 71 12.178 2.091 -2.387 1.00 0.00 S ATOM 0 H CYS A 71 11.750 -1.553 -1.975 1.00 0.00 H new ATOM 0 HA CYS A 71 10.307 0.205 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.355 0.238 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.501 1.169 -4.585 1.00 0.00 H new ATOM 0 HG CYS A 71 12.254 1.615 -1.180 1.00 0.00 H new ATOM 1076 N GLU A 72 11.378 -1.045 -5.854 1.00 0.00 N ATOM 1077 CA GLU A 72 11.607 -1.961 -6.963 1.00 0.00 C ATOM 1078 C GLU A 72 11.886 -1.132 -8.220 1.00 0.00 C ATOM 1079 O GLU A 72 11.165 -0.169 -8.482 1.00 0.00 O ATOM 1080 CB GLU A 72 10.346 -2.829 -7.133 1.00 0.00 C ATOM 1081 CG GLU A 72 10.424 -3.719 -8.375 1.00 0.00 C ATOM 1082 CD GLU A 72 9.288 -4.758 -8.408 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.168 -4.433 -8.864 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.508 -5.919 -7.994 1.00 0.00 O ATOM 0 H GLU A 72 11.057 -0.125 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 72 12.461 -2.614 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.213 -3.452 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.470 -2.185 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.375 -3.099 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.386 -4.232 -8.395 1.00 0.00 H new ATOM 1091 N CYS A 73 12.915 -1.477 -8.999 1.00 0.00 N ATOM 1092 CA CYS A 73 13.139 -0.903 -10.321 1.00 0.00 C ATOM 1093 C CYS A 73 11.995 -1.371 -11.235 1.00 0.00 C ATOM 1094 O CYS A 73 11.877 -2.560 -11.538 1.00 0.00 O ATOM 1095 CB CYS A 73 14.530 -1.290 -10.867 1.00 0.00 C ATOM 1096 SG CYS A 73 14.934 -3.027 -10.507 1.00 0.00 S ATOM 0 H CYS A 73 13.617 -2.165 -8.726 1.00 0.00 H new ATOM 0 HA CYS A 73 13.135 0.186 -10.273 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.557 -1.126 -11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.287 -0.641 -10.427 1.00 0.00 H new ATOM 0 HG CYS A 73 15.713 -3.493 -11.438 1.00 0.00 H new ATOM 1102 N LEU A 74 11.136 -0.443 -11.668 1.00 0.00 N ATOM 1103 CA LEU A 74 10.080 -0.731 -12.638 1.00 0.00 C ATOM 1104 C LEU A 74 10.693 -1.046 -14.005 1.00 0.00 C ATOM 1105 O LEU A 74 10.125 -1.813 -14.781 1.00 0.00 O ATOM 1106 CB LEU A 74 9.126 0.470 -12.767 1.00 0.00 C ATOM 1107 CG LEU A 74 8.306 0.793 -11.503 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.381 1.979 -11.796 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.464 -0.397 -11.024 1.00 0.00 C ATOM 0 H LEU A 74 11.155 0.528 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 74 9.517 -1.596 -12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.709 1.350 -13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.437 0.280 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 74 9.011 1.033 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.797 2.214 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.979 2.846 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.708 1.722 -12.614 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.907 -0.113 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.766 -0.688 -11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.119 -1.236 -10.791 1.00 0.00 H new ATOM 1121 N GLY A 75 11.853 -0.456 -14.290 1.00 0.00 N ATOM 1122 CA GLY A 75 12.635 -0.632 -15.497 1.00 0.00 C ATOM 1123 C GLY A 75 13.722 0.433 -15.494 1.00 0.00 C ATOM 1124 O GLY A 75 13.878 1.170 -14.513 1.00 0.00 O ATOM 0 H GLY A 75 12.292 0.196 -13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.075 -1.629 -15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.004 -0.534 -16.381 1.00 0.00 H new ATOM 1128 N GLY A 76 14.439 0.568 -16.599 1.00 0.00 N ATOM 1129 CA GLY A 76 15.397 1.640 -16.782 1.00 0.00 C ATOM 1130 C GLY A 76 15.816 1.708 -18.239 1.00 0.00 C ATOM 1131 O GLY A 76 15.144 1.147 -19.111 1.00 0.00 O ATOM 0 H GLY A 76 14.370 -0.066 -17.395 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.958 2.589 -16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.269 1.473 -16.150 1.00 0.00 H new ATOM 1135 N GLY A 77 16.907 2.418 -18.505 1.00 0.00 N ATOM 1136 CA GLY A 77 17.342 2.723 -19.851 1.00 0.00 C ATOM 1137 C GLY A 77 18.555 3.637 -19.806 1.00 0.00 C ATOM 1138 O GLY A 77 19.369 3.579 -18.880 1.00 0.00 O ATOM 0 H GLY A 77 17.516 2.799 -17.781 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.588 1.803 -20.381 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.534 3.203 -20.404 1.00 0.00 H new ATOM 1142 N ARG A 78 18.669 4.508 -20.803 1.00 0.00 N ATOM 1143 CA ARG A 78 19.795 5.407 -20.989 1.00 0.00 C ATOM 1144 C ARG A 78 19.250 6.796 -21.293 1.00 0.00 C ATOM 1145 O ARG A 78 18.125 6.954 -21.774 1.00 0.00 O ATOM 1146 CB ARG A 78 20.687 4.824 -22.100 1.00 0.00 C ATOM 1147 CG ARG A 78 21.963 5.631 -22.402 1.00 0.00 C ATOM 1148 CD ARG A 78 22.947 4.834 -23.269 1.00 0.00 C ATOM 1149 NE ARG A 78 22.328 4.345 -24.510 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.195 5.003 -25.662 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.660 6.239 -25.823 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.560 4.387 -26.647 1.00 0.00 N ATOM 0 H ARG A 78 17.956 4.608 -21.525 1.00 0.00 H new ATOM 0 HA ARG A 78 20.416 5.503 -20.099 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.974 3.810 -21.820 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.099 4.747 -23.015 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.696 6.557 -22.912 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.447 5.911 -21.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.802 5.463 -23.516 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.328 3.988 -22.698 1.00 0.00 H new ATOM 0 HE ARG A 78 21.958 3.395 -24.487 1.00 0.00 H new ATOM 0 HH11 ARG A 78 23.134 6.710 -25.052 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.542 6.716 -26.717 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.195 3.445 -26.508 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.436 4.855 -27.545 1.00 0.00 H new ATOM 1166 N ILE A 79 20.059 7.801 -20.999 1.00 0.00 N ATOM 1167 CA ILE A 79 19.748 9.201 -21.183 1.00 0.00 C ATOM 1168 C ILE A 79 20.878 9.764 -22.036 1.00 0.00 C ATOM 1169 O ILE A 79 22.043 9.400 -21.847 1.00 0.00 O ATOM 1170 CB ILE A 79 19.598 9.875 -19.799 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.255 9.434 -19.176 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.630 11.413 -19.925 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.939 10.027 -17.795 1.00 0.00 C ATOM 0 H ILE A 79 20.990 7.652 -20.609 1.00 0.00 H new ATOM 0 HA ILE A 79 18.801 9.381 -21.692 1.00 0.00 H new ATOM 0 HB ILE A 79 20.430 9.570 -19.164 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.451 9.704 -19.861 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.252 8.347 -19.094 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.523 11.861 -18.937 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.579 11.723 -20.363 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.811 11.743 -20.564 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.975 9.653 -17.450 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.715 9.736 -17.088 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.902 11.114 -17.866 1.00 0.00 H new ATOM 1185 N SER A 80 20.519 10.664 -22.948 1.00 0.00 N ATOM 1186 CA SER A 80 21.431 11.301 -23.882 1.00 0.00 C ATOM 1187 C SER A 80 21.062 12.781 -23.976 1.00 0.00 C ATOM 1188 O SER A 80 19.883 13.138 -23.960 1.00 0.00 O ATOM 1189 CB SER A 80 21.319 10.622 -25.253 1.00 0.00 C ATOM 1190 OG SER A 80 21.611 9.236 -25.180 1.00 0.00 O ATOM 0 H SER A 80 19.554 10.977 -23.057 1.00 0.00 H new ATOM 0 HA SER A 80 22.462 11.206 -23.540 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.312 10.761 -25.646 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.003 11.101 -25.953 1.00 0.00 H new ATOM 0 HG SER A 80 20.810 8.720 -25.409 1.00 0.00 H new ATOM 1333 N HIS A 89 17.028 13.474 -23.798 1.00 0.00 N ATOM 1334 CA HIS A 89 16.190 12.385 -24.278 1.00 0.00 C ATOM 1335 C HIS A 89 16.376 11.161 -23.387 1.00 0.00 C ATOM 1336 O HIS A 89 17.475 10.934 -22.874 1.00 0.00 O ATOM 1337 CB HIS A 89 16.548 12.097 -25.740 1.00 0.00 C ATOM 1338 CG HIS A 89 15.497 11.295 -26.460 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.314 11.786 -26.964 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.551 9.963 -26.773 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.680 10.779 -27.584 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.389 9.640 -27.486 1.00 0.00 N ATOM 0 HA HIS A 89 15.136 12.659 -24.233 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.698 13.041 -26.264 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.495 11.559 -25.776 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.349 9.282 -26.516 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.731 10.870 -28.092 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.132 8.725 -27.856 1.00 0.00 H new ATOM 1350 N VAL A 90 15.317 10.366 -23.224 1.00 0.00 N ATOM 1351 CA VAL A 90 15.269 9.203 -22.342 1.00 0.00 C ATOM 1352 C VAL A 90 14.745 8.037 -23.184 1.00 0.00 C ATOM 1353 O VAL A 90 13.662 8.132 -23.763 1.00 0.00 O ATOM 1354 CB VAL A 90 14.358 9.489 -21.122 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.548 8.406 -20.052 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.584 10.871 -20.476 1.00 0.00 C ATOM 0 H VAL A 90 14.440 10.521 -23.721 1.00 0.00 H new ATOM 0 HA VAL A 90 16.253 8.963 -21.940 1.00 0.00 H new ATOM 0 HB VAL A 90 13.340 9.482 -21.512 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.902 8.619 -19.200 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.289 7.433 -20.469 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.588 8.396 -19.725 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.908 10.992 -19.630 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.615 10.947 -20.130 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.389 11.652 -21.211 1.00 0.00 H new ATOM 1366 N TYR A 91 15.516 6.961 -23.317 1.00 0.00 N ATOM 1367 CA TYR A 91 15.197 5.843 -24.205 1.00 0.00 C ATOM 1368 C TYR A 91 15.974 4.593 -23.774 1.00 0.00 C ATOM 1369 O TYR A 91 16.543 4.562 -22.680 1.00 0.00 O ATOM 1370 CB TYR A 91 15.457 6.240 -25.676 1.00 0.00 C ATOM 1371 CG TYR A 91 16.884 6.501 -26.154 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.985 6.590 -25.275 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.096 6.699 -27.532 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.263 6.907 -25.759 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.373 7.012 -28.027 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.465 7.135 -27.138 1.00 0.00 C ATOM 1377 OH TYR A 91 20.708 7.470 -27.594 1.00 0.00 O ATOM 0 H TYR A 91 16.390 6.838 -22.806 1.00 0.00 H new ATOM 0 HA TYR A 91 14.137 5.599 -24.129 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.044 5.450 -26.303 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.878 7.141 -25.876 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.842 6.412 -24.219 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.266 6.609 -28.217 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.095 6.977 -25.075 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.520 7.159 -29.087 1.00 0.00 H new ATOM 0 HH TYR A 91 20.678 7.592 -28.566 1.00 0.00 H new ATOM 1387 N GLY A 92 16.047 3.578 -24.632 1.00 0.00 N ATOM 1388 CA GLY A 92 16.789 2.362 -24.356 1.00 0.00 C ATOM 1389 C GLY A 92 16.063 1.478 -23.349 1.00 0.00 C ATOM 1390 O GLY A 92 14.877 1.679 -23.066 1.00 0.00 O ATOM 0 H GLY A 92 15.588 3.582 -25.543 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.941 1.809 -25.283 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.777 2.617 -23.972 1.00 0.00 H new ATOM 1394 N TYR A 93 16.764 0.467 -22.839 1.00 0.00 N ATOM 1395 CA TYR A 93 16.202 -0.491 -21.894 1.00 0.00 C ATOM 1396 C TYR A 93 17.294 -1.079 -21.005 1.00 0.00 C ATOM 1397 O TYR A 93 18.417 -1.312 -21.456 1.00 0.00 O ATOM 1398 CB TYR A 93 15.462 -1.615 -22.643 1.00 0.00 C ATOM 1399 CG TYR A 93 16.275 -2.414 -23.648 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.408 -1.959 -24.974 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.867 -3.636 -23.267 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.134 -2.712 -25.914 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.596 -4.394 -24.201 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.732 -3.934 -25.532 1.00 0.00 C ATOM 1405 OH TYR A 93 18.427 -4.663 -26.452 1.00 0.00 O ATOM 0 H TYR A 93 17.741 0.290 -23.072 1.00 0.00 H new ATOM 0 HA TYR A 93 15.489 0.036 -21.260 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.058 -2.307 -21.905 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.613 -1.174 -23.165 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.950 -1.027 -25.271 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.760 -3.992 -22.253 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.235 -2.356 -26.929 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.052 -5.327 -23.902 1.00 0.00 H new ATOM 0 HH TYR A 93 18.776 -5.475 -26.030 1.00 0.00 H new ATOM 1415 N SER A 94 16.961 -1.339 -19.739 1.00 0.00 N ATOM 1416 CA SER A 94 17.823 -2.103 -18.852 1.00 0.00 C ATOM 1417 C SER A 94 17.829 -3.558 -19.320 1.00 0.00 C ATOM 1418 O SER A 94 16.778 -4.091 -19.677 1.00 0.00 O ATOM 1419 CB SER A 94 17.281 -2.014 -17.427 1.00 0.00 C ATOM 1420 OG SER A 94 17.329 -0.681 -16.968 1.00 0.00 O ATOM 0 H SER A 94 16.091 -1.026 -19.308 1.00 0.00 H new ATOM 0 HA SER A 94 18.838 -1.707 -18.870 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.254 -2.379 -17.398 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.866 -2.654 -16.767 1.00 0.00 H new ATOM 0 HG SER A 94 16.978 -0.637 -16.054 1.00 0.00 H new ATOM 1426 N MET A 95 18.984 -4.226 -19.275 1.00 0.00 N ATOM 1427 CA MET A 95 19.087 -5.637 -19.635 1.00 0.00 C ATOM 1428 C MET A 95 18.282 -6.475 -18.633 1.00 0.00 C ATOM 1429 O MET A 95 17.441 -7.284 -19.030 1.00 0.00 O ATOM 1430 CB MET A 95 20.577 -6.026 -19.688 1.00 0.00 C ATOM 1431 CG MET A 95 20.845 -7.461 -20.167 1.00 0.00 C ATOM 1432 SD MET A 95 20.491 -8.817 -19.005 1.00 0.00 S ATOM 1433 CE MET A 95 21.729 -8.506 -17.714 1.00 0.00 C ATOM 0 H MET A 95 19.868 -3.805 -18.989 1.00 0.00 H new ATOM 0 HA MET A 95 18.663 -5.828 -20.621 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.097 -5.333 -20.349 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.007 -5.902 -18.694 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.257 -7.629 -21.069 1.00 0.00 H new ATOM 0 HG3 MET A 95 21.895 -7.529 -20.453 1.00 0.00 H new ATOM 0 HE1 MET A 95 21.757 -9.350 -17.025 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.710 -8.380 -18.173 1.00 0.00 H new ATOM 0 HE3 MET A 95 21.465 -7.601 -17.167 1.00 0.00 H new ATOM 1443 N ALA A 96 18.502 -6.242 -17.333 1.00 0.00 N ATOM 1444 CA ALA A 96 17.900 -7.044 -16.270 1.00 0.00 C ATOM 1445 C ALA A 96 16.456 -6.632 -15.952 1.00 0.00 C ATOM 1446 O ALA A 96 15.700 -7.460 -15.440 1.00 0.00 O ATOM 1447 CB ALA A 96 18.753 -6.941 -14.999 1.00 0.00 C ATOM 0 H ALA A 96 19.103 -5.491 -16.992 1.00 0.00 H new ATOM 0 HA ALA A 96 17.868 -8.073 -16.629 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.301 -7.540 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.758 -7.309 -15.204 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.806 -5.900 -14.680 1.00 0.00 H new ATOM 1453 N TYR A 97 16.068 -5.380 -16.238 1.00 0.00 N ATOM 1454 CA TYR A 97 14.794 -4.809 -15.777 1.00 0.00 C ATOM 1455 C TYR A 97 13.855 -4.408 -16.924 1.00 0.00 C ATOM 1456 O TYR A 97 12.703 -4.056 -16.664 1.00 0.00 O ATOM 1457 CB TYR A 97 15.053 -3.613 -14.837 1.00 0.00 C ATOM 1458 CG TYR A 97 16.136 -3.778 -13.778 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.257 -4.983 -13.056 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.999 -2.703 -13.483 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.253 -5.129 -12.076 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.979 -2.831 -12.480 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.119 -4.053 -11.782 1.00 0.00 C ATOM 1464 OH TYR A 97 19.079 -4.183 -10.826 1.00 0.00 O ATOM 0 H TYR A 97 16.629 -4.735 -16.795 1.00 0.00 H new ATOM 0 HA TYR A 97 14.279 -5.597 -15.228 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.311 -2.751 -15.452 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.118 -3.374 -14.329 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.579 -5.799 -13.258 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.908 -1.776 -14.029 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.356 -6.065 -11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.623 -1.997 -12.244 1.00 0.00 H new ATOM 0 HH TYR A 97 19.847 -4.665 -11.197 1.00 0.00 H new ATOM 1474 N GLY A 98 14.308 -4.475 -18.181 1.00 0.00 N ATOM 1475 CA GLY A 98 13.533 -4.049 -19.340 1.00 0.00 C ATOM 1476 C GLY A 98 13.397 -2.522 -19.424 1.00 0.00 C ATOM 1477 O GLY A 98 13.949 -1.794 -18.588 1.00 0.00 O ATOM 0 H GLY A 98 15.234 -4.831 -18.419 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.009 -4.419 -20.248 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.541 -4.498 -19.295 1.00 0.00 H new ATOM 1481 N PRO A 99 12.694 -2.012 -20.450 1.00 0.00 N ATOM 1482 CA PRO A 99 12.436 -0.589 -20.595 1.00 0.00 C ATOM 1483 C PRO A 99 11.491 -0.114 -19.490 1.00 0.00 C ATOM 1484 O PRO A 99 10.489 -0.768 -19.180 1.00 0.00 O ATOM 1485 CB PRO A 99 11.811 -0.413 -21.982 1.00 0.00 C ATOM 1486 CG PRO A 99 11.165 -1.770 -22.268 1.00 0.00 C ATOM 1487 CD PRO A 99 12.056 -2.764 -21.524 1.00 0.00 C ATOM 0 HA PRO A 99 13.346 0.005 -20.505 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.074 0.390 -21.989 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.563 -0.163 -22.730 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.137 -1.807 -21.908 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.136 -1.982 -23.337 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.468 -3.591 -21.125 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.801 -3.196 -22.193 1.00 0.00 H new ATOM 1495 N ALA A 100 11.804 1.039 -18.903 1.00 0.00 N ATOM 1496 CA ALA A 100 10.901 1.736 -18.000 1.00 0.00 C ATOM 1497 C ALA A 100 9.779 2.412 -18.796 1.00 0.00 C ATOM 1498 O ALA A 100 9.843 2.530 -20.024 1.00 0.00 O ATOM 1499 CB ALA A 100 11.690 2.832 -17.289 1.00 0.00 C ATOM 0 H ALA A 100 12.695 1.515 -19.043 1.00 0.00 H new ATOM 0 HA ALA A 100 10.476 1.023 -17.293 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.032 3.369 -16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.510 2.384 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.093 3.527 -18.026 1.00 0.00 H new ATOM 1505 N GLN A 101 8.767 2.908 -18.082 1.00 0.00 N ATOM 1506 CA GLN A 101 7.765 3.788 -18.660 1.00 0.00 C ATOM 1507 C GLN A 101 8.424 5.167 -18.692 1.00 0.00 C ATOM 1508 O GLN A 101 8.235 5.964 -17.775 1.00 0.00 O ATOM 1509 CB GLN A 101 6.474 3.815 -17.826 1.00 0.00 C ATOM 1510 CG GLN A 101 5.668 2.516 -17.831 1.00 0.00 C ATOM 1511 CD GLN A 101 5.264 2.064 -19.236 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.833 1.130 -19.796 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.288 2.718 -19.847 1.00 0.00 N ATOM 0 H GLN A 101 8.624 2.709 -17.092 1.00 0.00 H new ATOM 0 HA GLN A 101 7.462 3.449 -19.651 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.731 4.060 -16.796 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.838 4.620 -18.196 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.256 1.729 -17.358 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.771 2.650 -17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.820 3.492 -19.376 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.004 2.447 -20.789 1.00 0.00 H new ATOM 1522 N HIS A 102 9.240 5.447 -19.708 1.00 0.00 N ATOM 1523 CA HIS A 102 9.973 6.712 -19.806 1.00 0.00 C ATOM 1524 C HIS A 102 9.041 7.934 -19.813 1.00 0.00 C ATOM 1525 O HIS A 102 9.489 9.032 -19.499 1.00 0.00 O ATOM 1526 CB HIS A 102 10.905 6.687 -21.022 1.00 0.00 C ATOM 1527 CG HIS A 102 11.844 5.508 -21.004 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.784 4.373 -21.786 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.820 5.296 -20.072 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.697 3.505 -21.315 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.372 4.031 -20.285 1.00 0.00 N ATOM 0 H HIS A 102 9.412 4.807 -20.484 1.00 0.00 H new ATOM 0 HA HIS A 102 10.584 6.816 -18.909 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.308 6.658 -21.933 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.485 7.609 -21.050 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.160 4.220 -22.578 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.115 5.991 -19.300 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.864 2.515 -21.714 1.00 0.00 H new ATOM 1539 N ALA A 103 7.746 7.741 -20.104 1.00 0.00 N ATOM 1540 CA ALA A 103 6.703 8.745 -19.939 1.00 0.00 C ATOM 1541 C ALA A 103 6.666 9.303 -18.504 1.00 0.00 C ATOM 1542 O ALA A 103 6.466 10.502 -18.309 1.00 0.00 O ATOM 1543 CB ALA A 103 5.354 8.093 -20.271 1.00 0.00 C ATOM 0 H ALA A 103 7.394 6.856 -20.470 1.00 0.00 H new ATOM 0 HA ALA A 103 6.911 9.580 -20.608 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.557 8.827 -20.154 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.368 7.732 -21.300 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.178 7.256 -19.595 1.00 0.00 H new ATOM 1549 N ILE A 104 6.856 8.441 -17.497 1.00 0.00 N ATOM 1550 CA ILE A 104 6.912 8.833 -16.091 1.00 0.00 C ATOM 1551 C ILE A 104 8.101 9.784 -15.927 1.00 0.00 C ATOM 1552 O ILE A 104 7.957 10.875 -15.372 1.00 0.00 O ATOM 1553 CB ILE A 104 7.065 7.586 -15.180 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.987 6.498 -15.396 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.122 7.981 -13.695 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.590 6.822 -14.870 1.00 0.00 C ATOM 0 H ILE A 104 6.976 7.439 -17.643 1.00 0.00 H new ATOM 0 HA ILE A 104 5.989 9.331 -15.795 1.00 0.00 H new ATOM 0 HB ILE A 104 8.013 7.140 -15.479 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.913 6.296 -16.465 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.328 5.578 -14.921 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.229 7.085 -13.084 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.974 8.640 -13.526 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.203 8.499 -13.421 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.920 5.987 -15.078 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.636 6.991 -13.794 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.215 7.719 -15.362 1.00 0.00 H new ATOM 1568 N SER A 105 9.265 9.378 -16.439 1.00 0.00 N ATOM 1569 CA SER A 105 10.497 10.128 -16.336 1.00 0.00 C ATOM 1570 C SER A 105 10.356 11.513 -16.947 1.00 0.00 C ATOM 1571 O SER A 105 10.681 12.494 -16.285 1.00 0.00 O ATOM 1572 CB SER A 105 11.616 9.359 -17.033 1.00 0.00 C ATOM 1573 OG SER A 105 11.616 8.016 -16.591 1.00 0.00 O ATOM 0 H SER A 105 9.369 8.499 -16.945 1.00 0.00 H new ATOM 0 HA SER A 105 10.737 10.255 -15.280 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.478 9.397 -18.114 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.579 9.823 -16.818 1.00 0.00 H new ATOM 0 HG SER A 105 12.063 7.958 -15.721 1.00 0.00 H new ATOM 1579 N THR A 106 9.872 11.613 -18.183 1.00 0.00 N ATOM 1580 CA THR A 106 9.769 12.892 -18.863 1.00 0.00 C ATOM 1581 C THR A 106 8.780 13.817 -18.161 1.00 0.00 C ATOM 1582 O THR A 106 9.101 14.991 -17.993 1.00 0.00 O ATOM 1583 CB THR A 106 9.440 12.703 -20.350 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.377 11.790 -20.532 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.671 12.178 -21.090 1.00 0.00 C ATOM 0 H THR A 106 9.545 10.818 -18.732 1.00 0.00 H new ATOM 0 HA THR A 106 10.742 13.380 -18.813 1.00 0.00 H new ATOM 0 HB THR A 106 9.141 13.672 -20.749 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.190 11.692 -21.489 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.432 12.046 -22.145 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.488 12.893 -20.990 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.972 11.221 -20.663 1.00 0.00 H new ATOM 1593 N GLU A 107 7.628 13.329 -17.687 1.00 0.00 N ATOM 1594 CA GLU A 107 6.691 14.170 -16.949 1.00 0.00 C ATOM 1595 C GLU A 107 7.343 14.702 -15.667 1.00 0.00 C ATOM 1596 O GLU A 107 7.266 15.901 -15.385 1.00 0.00 O ATOM 1597 CB GLU A 107 5.395 13.402 -16.635 1.00 0.00 C ATOM 1598 CG GLU A 107 4.482 13.302 -17.867 1.00 0.00 C ATOM 1599 CD GLU A 107 3.144 12.617 -17.533 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.268 13.258 -16.906 1.00 0.00 O ATOM 1601 OE2 GLU A 107 2.930 11.445 -17.918 1.00 0.00 O ATOM 0 H GLU A 107 7.327 12.361 -17.803 1.00 0.00 H new ATOM 0 HA GLU A 107 6.428 15.023 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.642 12.401 -16.282 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.862 13.902 -15.827 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.291 14.301 -18.260 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.991 12.743 -18.652 1.00 0.00 H new ATOM 1608 N LYS A 108 8.032 13.841 -14.911 1.00 0.00 N ATOM 1609 CA LYS A 108 8.704 14.250 -13.681 1.00 0.00 C ATOM 1610 C LYS A 108 9.836 15.231 -13.974 1.00 0.00 C ATOM 1611 O LYS A 108 9.949 16.246 -13.291 1.00 0.00 O ATOM 1612 CB LYS A 108 9.222 13.016 -12.932 1.00 0.00 C ATOM 1613 CG LYS A 108 8.080 12.232 -12.279 1.00 0.00 C ATOM 1614 CD LYS A 108 8.609 10.960 -11.605 1.00 0.00 C ATOM 1615 CE LYS A 108 7.500 10.326 -10.758 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.447 10.915 -9.401 1.00 0.00 N ATOM 0 H LYS A 108 8.137 12.851 -15.134 1.00 0.00 H new ATOM 0 HA LYS A 108 7.983 14.765 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.759 12.368 -13.625 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.935 13.326 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.578 12.858 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.337 11.968 -13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.953 10.253 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.468 11.199 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.539 10.464 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.668 9.252 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.481 10.835 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.105 10.407 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.719 11.918 -9.447 1.00 0.00 H new ATOM 1630 N ILE A 109 10.660 14.970 -14.990 1.00 0.00 N ATOM 1631 CA ILE A 109 11.745 15.854 -15.388 1.00 0.00 C ATOM 1632 C ILE A 109 11.164 17.202 -15.825 1.00 0.00 C ATOM 1633 O ILE A 109 11.702 18.230 -15.433 1.00 0.00 O ATOM 1634 CB ILE A 109 12.620 15.172 -16.468 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.486 14.054 -15.837 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.558 16.183 -17.145 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.045 13.066 -16.874 1.00 0.00 C ATOM 0 H ILE A 109 10.588 14.129 -15.563 1.00 0.00 H new ATOM 0 HA ILE A 109 12.409 16.053 -14.547 1.00 0.00 H new ATOM 0 HB ILE A 109 11.943 14.751 -17.211 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.314 14.508 -15.293 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.888 13.507 -15.108 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.159 15.674 -17.898 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.967 16.966 -17.621 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.214 16.628 -16.397 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.643 12.307 -16.369 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.220 12.586 -17.401 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.669 13.603 -17.589 1.00 0.00 H new ATOM 1649 N LYS A 110 10.063 17.244 -16.582 1.00 0.00 N ATOM 1650 CA LYS A 110 9.455 18.511 -16.994 1.00 0.00 C ATOM 1651 C LYS A 110 8.956 19.297 -15.780 1.00 0.00 C ATOM 1652 O LYS A 110 9.121 20.516 -15.756 1.00 0.00 O ATOM 1653 CB LYS A 110 8.328 18.256 -18.008 1.00 0.00 C ATOM 1654 CG LYS A 110 8.904 17.888 -19.386 1.00 0.00 C ATOM 1655 CD LYS A 110 7.818 17.399 -20.351 1.00 0.00 C ATOM 1656 CE LYS A 110 8.462 17.037 -21.695 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.480 16.532 -22.690 1.00 0.00 N ATOM 0 H LYS A 110 9.575 16.415 -16.921 1.00 0.00 H new ATOM 0 HA LYS A 110 10.214 19.121 -17.484 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.687 17.450 -17.650 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.704 19.145 -18.096 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.404 18.757 -19.814 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.660 17.112 -19.267 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.308 16.531 -19.933 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.065 18.174 -20.492 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.963 17.916 -22.100 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.229 16.280 -21.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.971 16.304 -23.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.019 15.677 -22.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.761 17.262 -22.870 1.00 0.00 H new ATOM 1671 N ALA A 111 8.399 18.629 -14.763 1.00 0.00 N ATOM 1672 CA ALA A 111 8.002 19.283 -13.520 1.00 0.00 C ATOM 1673 C ALA A 111 9.226 19.824 -12.762 1.00 0.00 C ATOM 1674 O ALA A 111 9.208 20.961 -12.291 1.00 0.00 O ATOM 1675 CB ALA A 111 7.201 18.308 -12.647 1.00 0.00 C ATOM 0 H ALA A 111 8.214 17.626 -14.782 1.00 0.00 H new ATOM 0 HA ALA A 111 7.367 20.134 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.909 18.804 -11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.308 17.988 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.816 17.439 -12.414 1.00 0.00 H new ATOM 1681 N LYS A 112 10.297 19.025 -12.656 1.00 0.00 N ATOM 1682 CA LYS A 112 11.556 19.413 -12.011 1.00 0.00 C ATOM 1683 C LYS A 112 12.230 20.575 -12.752 1.00 0.00 C ATOM 1684 O LYS A 112 12.810 21.449 -12.109 1.00 0.00 O ATOM 1685 CB LYS A 112 12.462 18.170 -11.936 1.00 0.00 C ATOM 1686 CG LYS A 112 13.785 18.402 -11.190 1.00 0.00 C ATOM 1687 CD LYS A 112 13.611 18.544 -9.671 1.00 0.00 C ATOM 1688 CE LYS A 112 14.989 18.631 -8.998 1.00 0.00 C ATOM 1689 NZ LYS A 112 14.891 18.833 -7.531 1.00 0.00 N ATOM 0 H LYS A 112 10.311 18.074 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 112 11.360 19.776 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.916 17.365 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.683 17.833 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.460 17.571 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.260 19.302 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.028 19.436 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.057 17.692 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.547 17.717 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.554 19.453 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.846 18.885 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.382 19.719 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.376 18.037 -7.105 1.00 0.00 H new ATOM 1703 N TYR A 113 12.129 20.592 -14.084 1.00 0.00 N ATOM 1704 CA TYR A 113 12.850 21.460 -15.006 1.00 0.00 C ATOM 1705 C TYR A 113 14.341 21.567 -14.622 1.00 0.00 C ATOM 1706 O TYR A 113 14.808 22.644 -14.239 1.00 0.00 O ATOM 1707 CB TYR A 113 12.112 22.799 -15.173 1.00 0.00 C ATOM 1708 CG TYR A 113 12.521 23.570 -16.415 1.00 0.00 C ATOM 1709 CD1 TYR A 113 12.013 23.189 -17.673 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.397 24.669 -16.319 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.368 23.908 -18.828 1.00 0.00 C ATOM 1712 CE2 TYR A 113 13.759 25.391 -17.471 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.241 25.016 -18.732 1.00 0.00 C ATOM 1714 OH TYR A 113 13.570 25.712 -19.855 1.00 0.00 O ATOM 0 H TYR A 113 11.499 19.957 -14.574 1.00 0.00 H new ATOM 0 HA TYR A 113 12.861 21.017 -16.002 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.039 22.610 -15.210 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.297 23.418 -14.295 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.348 22.341 -17.750 1.00 0.00 H new ATOM 0 HD2 TYR A 113 13.793 24.959 -15.357 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.973 23.614 -19.789 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.432 26.232 -17.392 1.00 0.00 H new ATOM 0 HH TYR A 113 14.177 26.444 -19.620 1.00 0.00 H new ATOM 1771 N GLU A 117 13.310 21.293 -21.292 1.00 0.00 N ATOM 1772 CA GLU A 117 12.326 20.276 -21.656 1.00 0.00 C ATOM 1773 C GLU A 117 13.051 19.009 -22.149 1.00 0.00 C ATOM 1774 O GLU A 117 14.228 19.055 -22.522 1.00 0.00 O ATOM 1775 CB GLU A 117 11.366 20.860 -22.712 1.00 0.00 C ATOM 1776 CG GLU A 117 10.135 19.989 -22.995 1.00 0.00 C ATOM 1777 CD GLU A 117 9.098 20.704 -23.877 1.00 0.00 C ATOM 1778 OE1 GLU A 117 8.392 21.616 -23.389 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.959 20.326 -25.062 1.00 0.00 O ATOM 0 HA GLU A 117 11.729 19.987 -20.791 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.033 21.843 -22.379 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.914 21.008 -23.643 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.451 19.068 -23.485 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.670 19.705 -22.051 1.00 0.00 H new ATOM 1786 N VAL A 118 12.342 17.880 -22.177 1.00 0.00 N ATOM 1787 CA VAL A 118 12.876 16.573 -22.532 1.00 0.00 C ATOM 1788 C VAL A 118 11.866 15.784 -23.362 1.00 0.00 C ATOM 1789 O VAL A 118 10.684 16.135 -23.396 1.00 0.00 O ATOM 1790 CB VAL A 118 13.266 15.799 -21.257 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.465 16.464 -20.573 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.114 15.659 -20.250 1.00 0.00 C ATOM 0 H VAL A 118 11.349 17.854 -21.945 1.00 0.00 H new ATOM 0 HA VAL A 118 13.770 16.713 -23.140 1.00 0.00 H new ATOM 0 HB VAL A 118 13.528 14.793 -21.584 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.727 15.905 -19.675 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.315 16.473 -21.256 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.207 17.488 -20.301 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.459 15.104 -19.377 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.778 16.649 -19.941 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.286 15.124 -20.716 1.00 0.00 H new ATOM 1802 N THR A 119 12.314 14.698 -23.987 1.00 0.00 N ATOM 1803 CA THR A 119 11.489 13.811 -24.798 1.00 0.00 C ATOM 1804 C THR A 119 11.887 12.352 -24.527 1.00 0.00 C ATOM 1805 O THR A 119 12.865 12.082 -23.821 1.00 0.00 O ATOM 1806 CB THR A 119 11.622 14.207 -26.285 1.00 0.00 C ATOM 1807 OG1 THR A 119 12.982 14.378 -26.650 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.862 15.506 -26.580 1.00 0.00 C ATOM 0 H THR A 119 13.290 14.404 -23.941 1.00 0.00 H new ATOM 0 HA THR A 119 10.436 13.909 -24.532 1.00 0.00 H new ATOM 0 HB THR A 119 11.191 13.395 -26.871 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.403 13.500 -26.763 1.00 0.00 H new ATOM 0 HG21 THR A 119 10.973 15.761 -27.634 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.806 15.370 -26.349 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.267 16.312 -25.967 1.00 0.00 H new ATOM 1816 N TRP A 120 11.128 11.399 -25.073 1.00 0.00 N ATOM 1817 CA TRP A 120 11.438 9.977 -24.973 1.00 0.00 C ATOM 1818 C TRP A 120 11.058 9.263 -26.258 1.00 0.00 C ATOM 1819 O TRP A 120 10.337 9.814 -27.097 1.00 0.00 O ATOM 1820 CB TRP A 120 10.713 9.313 -23.786 1.00 0.00 C ATOM 1821 CG TRP A 120 9.223 9.150 -23.892 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.319 10.153 -23.934 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.437 7.917 -23.965 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.041 9.638 -23.970 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.051 8.261 -23.977 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.750 6.540 -24.023 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.035 7.292 -24.001 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.739 5.560 -24.014 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.383 5.932 -24.003 1.00 0.00 C ATOM 0 H TRP A 120 10.277 11.597 -25.599 1.00 0.00 H new ATOM 0 HA TRP A 120 12.512 9.892 -24.806 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.150 8.326 -23.633 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.925 9.898 -22.891 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.562 11.205 -23.939 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.194 10.206 -23.989 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.784 6.234 -24.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.997 7.590 -24.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.007 4.514 -24.016 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.613 5.175 -23.996 1.00 0.00 H new ATOM 1840 N ALA A 121 11.521 8.022 -26.384 1.00 0.00 N ATOM 1841 CA ALA A 121 11.103 7.096 -27.414 1.00 0.00 C ATOM 1842 C ALA A 121 11.201 5.691 -26.825 1.00 0.00 C ATOM 1843 O ALA A 121 12.131 5.395 -26.071 1.00 0.00 O ATOM 1844 CB ALA A 121 11.998 7.228 -28.652 1.00 0.00 C ATOM 0 H ALA A 121 12.217 7.629 -25.750 1.00 0.00 H new ATOM 0 HA ALA A 121 10.082 7.308 -27.731 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.668 6.524 -29.416 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.932 8.244 -29.042 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.031 7.010 -28.379 1.00 0.00 H new