USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1019 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 80 MET CE :methyl -118:sc= -0.255 (180deg=-5.06!) USER MOD Set 1.2: A 154 MET CE :methyl -122:sc= -0.0379 (180deg=-1.41) USER MOD Set 2.1: A 143 GLN : amide:sc= 0.174 X(o=-0.04,f=0.033) USER MOD Set 2.2: A 144 ASN : amide:sc= 0.00862 X(o=-0.04,f=-0.11) USER MOD Set 2.3: A 146 GLN : amide:sc= -0.223 X(o=-0.04,f=0.37) USER MOD Set 3.1: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 94 HIS : no HE2:sc= -0.862 X(o=-0.86,f=-0.44) USER MOD Set 4.1: A 66 LYS NZ :NH3+ -147:sc= 0.13 (180deg=0) USER MOD Set 4.2: A 163 TYR OH : rot 30:sc= 0.119 USER MOD Set 5.1: A 40 THR OG1 : rot -158:sc= 0.00966 USER MOD Set 5.2: A 98 TYR OH : rot 30:sc= -0.22 USER MOD Set 6.1: A 37 HIS : no HD1:sc= -0.26 X(o=0.62,f=0.49) USER MOD Set 6.2: A 53 SER OG : rot 77:sc= 0.882 USER MOD Set 7.1: A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0129) USER MOD Set 7.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -110:sc= -0.301 (180deg=-1.78) USER MOD Single : A 19 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 38 TYR OH : rot 60:sc= 0.0549 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -163:sc= -1.5 (180deg=-2.53) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 75:sc= 0.00825 USER MOD Single : A 78 CYS SG : rot -24:sc= 0.081 USER MOD Single : A 79 THR OG1 : rot -150:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.15) USER MOD Single : A 90 CYS SG : rot 160:sc= -2.36! USER MOD Single : A 103 LYS NZ :NH3+ -145:sc= 0.306 (180deg=0.0126) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.039) USER MOD Single : A 151 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.17) USER MOD Single : A 152 MET CE :methyl 176:sc= 0 (180deg=-0.0148) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot -87:sc= 0.0174 USER MOD Single : A 162 THR OG1 : rot -121:sc= 0.549 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.552 -4.937 -10.736 1.00 0.00 N ATOM 43 CA ILE A 5 22.039 -3.650 -10.141 1.00 0.00 C ATOM 44 C ILE A 5 22.936 -2.810 -11.124 1.00 0.00 C ATOM 45 O ILE A 5 22.760 -1.593 -11.189 1.00 0.00 O ATOM 46 CB ILE A 5 22.786 -3.908 -8.774 1.00 0.00 C ATOM 47 CG1 ILE A 5 22.024 -4.766 -7.717 1.00 0.00 C ATOM 48 CG2 ILE A 5 23.346 -2.627 -8.095 1.00 0.00 C ATOM 49 CD1 ILE A 5 20.806 -4.123 -7.043 1.00 0.00 C ATOM 0 HA ILE A 5 21.152 -3.047 -9.949 1.00 0.00 H new ATOM 0 HB ILE A 5 23.622 -4.516 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.697 -5.686 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.731 -5.050 -6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 5 23.843 -2.897 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.062 -2.145 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 5 22.527 -1.939 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.371 -4.825 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 5 21.116 -3.220 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.065 -3.866 -7.800 1.00 0.00 H new ATOM 61 N ALA A 6 23.863 -3.452 -11.872 1.00 0.00 N ATOM 62 CA ALA A 6 24.662 -2.790 -12.935 1.00 0.00 C ATOM 63 C ALA A 6 23.869 -2.211 -14.148 1.00 0.00 C ATOM 64 O ALA A 6 24.267 -1.151 -14.635 1.00 0.00 O ATOM 65 CB ALA A 6 25.768 -3.752 -13.407 1.00 0.00 C ATOM 0 H ALA A 6 24.080 -4.442 -11.758 1.00 0.00 H new ATOM 0 HA ALA A 6 25.080 -1.899 -12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.359 -3.272 -14.188 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.414 -4.004 -12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 6 25.315 -4.661 -13.802 1.00 0.00 H new ATOM 71 N ARG A 7 22.771 -2.851 -14.613 1.00 0.00 N ATOM 72 CA ARG A 7 21.842 -2.243 -15.612 1.00 0.00 C ATOM 73 C ARG A 7 20.835 -1.174 -15.062 1.00 0.00 C ATOM 74 O ARG A 7 20.484 -0.260 -15.812 1.00 0.00 O ATOM 75 CB ARG A 7 21.153 -3.316 -16.497 1.00 0.00 C ATOM 76 CG ARG A 7 20.021 -4.171 -15.878 1.00 0.00 C ATOM 77 CD ARG A 7 18.826 -4.476 -16.805 1.00 0.00 C ATOM 78 NE ARG A 7 17.972 -3.278 -17.009 1.00 0.00 N ATOM 79 CZ ARG A 7 16.747 -3.292 -17.567 1.00 0.00 C ATOM 80 NH1 ARG A 7 16.176 -4.380 -18.080 1.00 0.00 N ATOM 81 NH2 ARG A 7 16.072 -2.158 -17.608 1.00 0.00 N ATOM 0 H ARG A 7 22.501 -3.789 -14.316 1.00 0.00 H new ATOM 0 HA ARG A 7 22.500 -1.652 -16.249 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.745 -2.811 -17.373 1.00 0.00 H new ATOM 0 HB3 ARG A 7 21.926 -3.997 -16.853 1.00 0.00 H new ATOM 0 HG2 ARG A 7 20.447 -5.117 -15.543 1.00 0.00 H new ATOM 0 HG3 ARG A 7 19.647 -3.658 -14.992 1.00 0.00 H new ATOM 0 HD2 ARG A 7 19.193 -4.830 -17.768 1.00 0.00 H new ATOM 0 HD3 ARG A 7 18.229 -5.281 -16.376 1.00 0.00 H new ATOM 0 HE ARG A 7 18.341 -2.378 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.671 -5.272 -18.064 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.243 -4.322 -18.489 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.482 -1.307 -17.224 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.141 -2.133 -18.024 1.00 0.00 H new ATOM 95 N LEU A 8 20.355 -1.274 -13.801 1.00 0.00 N ATOM 96 CA LEU A 8 19.429 -0.275 -13.200 1.00 0.00 C ATOM 97 C LEU A 8 20.119 1.012 -12.645 1.00 0.00 C ATOM 98 O LEU A 8 19.500 2.076 -12.698 1.00 0.00 O ATOM 99 CB LEU A 8 18.505 -0.884 -12.114 1.00 0.00 C ATOM 100 CG LEU A 8 17.666 -2.161 -12.396 1.00 0.00 C ATOM 101 CD1 LEU A 8 16.634 -2.393 -11.281 1.00 0.00 C ATOM 102 CD2 LEU A 8 16.915 -2.169 -13.737 1.00 0.00 C ATOM 0 H LEU A 8 20.594 -2.041 -13.173 1.00 0.00 H new ATOM 0 HA LEU A 8 18.820 0.037 -14.049 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.131 -1.099 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.806 -0.103 -11.816 1.00 0.00 H new ATOM 0 HG LEU A 8 18.408 -2.958 -12.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.058 -3.292 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.149 -2.515 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.962 -1.537 -11.223 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.361 -3.102 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.221 -1.329 -13.770 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.630 -2.082 -14.555 1.00 0.00 H new ATOM 114 N ARG A 9 21.380 0.967 -12.156 1.00 0.00 N ATOM 115 CA ARG A 9 22.203 2.190 -11.920 1.00 0.00 C ATOM 116 C ARG A 9 22.392 3.129 -13.161 1.00 0.00 C ATOM 117 O ARG A 9 22.272 4.349 -13.021 1.00 0.00 O ATOM 118 CB ARG A 9 23.523 1.847 -11.180 1.00 0.00 C ATOM 119 CG ARG A 9 24.625 1.105 -11.975 1.00 0.00 C ATOM 120 CD ARG A 9 25.850 0.674 -11.144 1.00 0.00 C ATOM 121 NE ARG A 9 26.657 1.828 -10.670 1.00 0.00 N ATOM 122 CZ ARG A 9 27.761 1.724 -9.906 1.00 0.00 C ATOM 123 NH1 ARG A 9 28.268 0.567 -9.483 1.00 0.00 N ATOM 124 NH2 ARG A 9 28.379 2.838 -9.554 1.00 0.00 N ATOM 0 H ARG A 9 21.856 0.098 -11.915 1.00 0.00 H new ATOM 0 HA ARG A 9 21.609 2.814 -11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 9 23.949 2.778 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.271 1.240 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.186 0.219 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 9 24.964 1.750 -12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 9 25.515 0.093 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 9 26.480 0.019 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 9 26.354 2.763 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.815 -0.311 -9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 9 29.109 0.559 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.017 3.741 -9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.218 2.795 -8.976 1.00 0.00 H new ATOM 138 N GLU A 10 22.617 2.552 -14.363 1.00 0.00 N ATOM 139 CA GLU A 10 22.520 3.278 -15.663 1.00 0.00 C ATOM 140 C GLU A 10 21.091 3.526 -16.261 1.00 0.00 C ATOM 141 O GLU A 10 21.008 4.142 -17.329 1.00 0.00 O ATOM 142 CB GLU A 10 23.462 2.587 -16.691 1.00 0.00 C ATOM 143 CG GLU A 10 23.141 1.110 -17.028 1.00 0.00 C ATOM 144 CD GLU A 10 24.028 0.522 -18.125 1.00 0.00 C ATOM 145 OE1 GLU A 10 23.674 0.643 -19.319 1.00 0.00 O ATOM 146 OE2 GLU A 10 25.081 -0.068 -17.798 1.00 0.00 O ATOM 0 H GLU A 10 22.871 1.570 -14.466 1.00 0.00 H new ATOM 0 HA GLU A 10 22.837 4.296 -15.438 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.440 3.162 -17.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.482 2.637 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.249 0.509 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.099 1.036 -17.338 1.00 0.00 H new ATOM 153 N ASP A 11 19.983 3.126 -15.598 1.00 0.00 N ATOM 154 CA ASP A 11 18.605 3.552 -15.981 1.00 0.00 C ATOM 155 C ASP A 11 18.191 5.002 -15.555 1.00 0.00 C ATOM 156 O ASP A 11 17.124 5.450 -15.981 1.00 0.00 O ATOM 157 CB ASP A 11 17.652 2.405 -15.531 1.00 0.00 C ATOM 158 CG ASP A 11 16.168 2.542 -15.901 1.00 0.00 C ATOM 159 OD1 ASP A 11 15.793 2.197 -17.043 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.373 2.998 -15.051 1.00 0.00 O ATOM 0 H ASP A 11 20.010 2.505 -14.789 1.00 0.00 H new ATOM 0 HA ASP A 11 18.542 3.680 -17.062 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.022 1.472 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.723 2.312 -14.447 1.00 0.00 H new ATOM 165 N GLY A 12 19.008 5.740 -14.778 1.00 0.00 N ATOM 166 CA GLY A 12 18.567 6.987 -14.103 1.00 0.00 C ATOM 167 C GLY A 12 18.266 6.845 -12.585 1.00 0.00 C ATOM 168 O GLY A 12 18.599 7.728 -11.792 1.00 0.00 O ATOM 0 H GLY A 12 19.982 5.496 -14.599 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.339 7.745 -14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.670 7.354 -14.602 1.00 0.00 H new ATOM 172 N ILE A 13 17.651 5.715 -12.207 1.00 0.00 N ATOM 173 CA ILE A 13 17.510 5.232 -10.802 1.00 0.00 C ATOM 174 C ILE A 13 18.875 4.709 -10.224 1.00 0.00 C ATOM 175 O ILE A 13 19.855 4.532 -10.955 1.00 0.00 O ATOM 176 CB ILE A 13 16.357 4.155 -10.762 1.00 0.00 C ATOM 177 CG1 ILE A 13 16.657 2.913 -11.660 1.00 0.00 C ATOM 178 CG2 ILE A 13 14.970 4.769 -11.075 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.534 1.937 -12.008 1.00 0.00 C ATOM 0 H ILE A 13 17.220 5.084 -12.882 1.00 0.00 H new ATOM 0 HA ILE A 13 17.233 6.058 -10.147 1.00 0.00 H new ATOM 0 HB ILE A 13 16.322 3.792 -9.735 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.069 3.283 -12.599 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.445 2.341 -11.170 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.210 3.989 -11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.739 5.539 -10.339 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.984 5.212 -12.071 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.928 1.139 -12.638 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.127 1.509 -11.092 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.745 2.466 -12.543 1.00 0.00 H new ATOM 191 N GLN A 14 18.930 4.483 -8.897 1.00 0.00 N ATOM 192 CA GLN A 14 20.165 4.022 -8.197 1.00 0.00 C ATOM 193 C GLN A 14 19.753 3.202 -6.945 1.00 0.00 C ATOM 194 O GLN A 14 18.971 3.693 -6.128 1.00 0.00 O ATOM 195 CB GLN A 14 21.051 5.249 -7.822 1.00 0.00 C ATOM 196 CG GLN A 14 22.401 4.964 -7.122 1.00 0.00 C ATOM 197 CD GLN A 14 23.431 4.222 -7.989 1.00 0.00 C ATOM 198 OE1 GLN A 14 24.076 4.805 -8.861 1.00 0.00 O ATOM 199 NE2 GLN A 14 23.605 2.928 -7.770 1.00 0.00 N ATOM 0 H GLN A 14 18.131 4.611 -8.276 1.00 0.00 H new ATOM 0 HA GLN A 14 20.757 3.381 -8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.256 5.808 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.466 5.901 -7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 14 22.834 5.911 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.212 4.376 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 14 23.065 2.456 -7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.279 2.403 -8.327 1.00 0.00 H new ATOM 208 N LYS A 15 20.298 1.975 -6.789 1.00 0.00 N ATOM 209 CA LYS A 15 19.915 1.048 -5.682 1.00 0.00 C ATOM 210 C LYS A 15 20.818 1.180 -4.429 1.00 0.00 C ATOM 211 O LYS A 15 22.016 1.476 -4.523 1.00 0.00 O ATOM 212 CB LYS A 15 19.981 -0.446 -6.127 1.00 0.00 C ATOM 213 CG LYS A 15 18.841 -0.986 -7.005 1.00 0.00 C ATOM 214 CD LYS A 15 18.909 -0.589 -8.489 1.00 0.00 C ATOM 215 CE LYS A 15 17.967 0.557 -8.894 1.00 0.00 C ATOM 216 NZ LYS A 15 16.567 0.123 -9.037 1.00 0.00 N ATOM 0 H LYS A 15 21.008 1.595 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 15 18.895 1.339 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.917 -0.593 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.031 -1.061 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.836 -2.074 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.893 -0.637 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.933 -0.300 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.676 -1.464 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.023 1.348 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.308 0.985 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.298 0.143 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.464 -0.845 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.948 0.764 -8.501 1.00 0.00 H new ATOM 230 N ARG A 16 20.239 0.823 -3.261 1.00 0.00 N ATOM 231 CA ARG A 16 21.024 0.448 -2.061 1.00 0.00 C ATOM 232 C ARG A 16 20.168 -0.498 -1.171 1.00 0.00 C ATOM 233 O ARG A 16 19.074 -0.132 -0.728 1.00 0.00 O ATOM 234 CB ARG A 16 21.460 1.727 -1.289 1.00 0.00 C ATOM 235 CG ARG A 16 22.426 1.498 -0.104 1.00 0.00 C ATOM 236 CD ARG A 16 22.833 2.779 0.656 1.00 0.00 C ATOM 237 NE ARG A 16 23.674 3.710 -0.145 1.00 0.00 N ATOM 238 CZ ARG A 16 23.245 4.865 -0.700 1.00 0.00 C ATOM 239 NH1 ARG A 16 22.002 5.332 -0.588 1.00 0.00 N ATOM 240 NH2 ARG A 16 24.112 5.573 -1.401 1.00 0.00 N ATOM 0 H ARG A 16 19.229 0.786 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 16 21.931 -0.081 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.934 2.410 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.566 2.225 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.959 0.808 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.327 1.012 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.932 3.302 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 16 23.376 2.498 1.558 1.00 0.00 H new ATOM 0 HE ARG A 16 24.652 3.456 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 16 21.306 4.808 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.746 6.213 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.071 5.243 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.823 6.450 -1.834 1.00 0.00 H new ATOM 254 N VAL A 17 20.715 -1.694 -0.876 1.00 0.00 N ATOM 255 CA VAL A 17 20.075 -2.694 0.026 1.00 0.00 C ATOM 256 C VAL A 17 20.566 -2.530 1.494 1.00 0.00 C ATOM 257 O VAL A 17 21.764 -2.366 1.756 1.00 0.00 O ATOM 258 CB VAL A 17 20.236 -4.140 -0.562 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.675 -4.699 -0.562 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.322 -5.174 0.126 1.00 0.00 C ATOM 0 H VAL A 17 21.612 -2.001 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 17 19.002 -2.510 0.072 1.00 0.00 H new ATOM 0 HB VAL A 17 19.936 -3.999 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.676 -5.702 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.317 -4.051 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 17 22.050 -4.739 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.479 -6.154 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.560 -5.220 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.280 -4.879 0.000 1.00 0.00 H new ATOM 270 N ILE A 18 19.616 -2.641 2.441 1.00 0.00 N ATOM 271 CA ILE A 18 19.910 -2.707 3.898 1.00 0.00 C ATOM 272 C ILE A 18 20.226 -4.195 4.274 1.00 0.00 C ATOM 273 O ILE A 18 21.367 -4.492 4.643 1.00 0.00 O ATOM 274 CB ILE A 18 18.772 -2.049 4.756 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.260 -0.648 4.278 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.203 -1.918 6.240 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.734 -0.573 4.176 1.00 0.00 C ATOM 0 H ILE A 18 18.620 -2.688 2.225 1.00 0.00 H new ATOM 0 HA ILE A 18 20.792 -2.112 4.134 1.00 0.00 H new ATOM 0 HB ILE A 18 17.938 -2.739 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.611 0.117 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.696 -0.420 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.398 -1.459 6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.419 -2.907 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.095 -1.296 6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.440 0.422 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.380 -1.316 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.294 -0.771 5.153 1.00 0.00 H new ATOM 289 N GLN A 19 19.231 -5.104 4.168 1.00 0.00 N ATOM 290 CA GLN A 19 19.395 -6.552 4.450 1.00 0.00 C ATOM 291 C GLN A 19 19.112 -7.337 3.143 1.00 0.00 C ATOM 292 O GLN A 19 17.971 -7.390 2.675 1.00 0.00 O ATOM 293 CB GLN A 19 18.428 -7.016 5.571 1.00 0.00 C ATOM 294 CG GLN A 19 18.702 -6.472 6.997 1.00 0.00 C ATOM 295 CD GLN A 19 17.584 -5.585 7.561 1.00 0.00 C ATOM 296 OE1 GLN A 19 16.983 -5.867 8.597 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.288 -4.500 6.871 1.00 0.00 N ATOM 0 H GLN A 19 18.284 -4.854 3.883 1.00 0.00 H new ATOM 0 HA GLN A 19 20.412 -6.741 4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.415 -6.730 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.452 -8.105 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.856 -7.315 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.630 -5.901 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.799 -4.285 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.548 -3.876 7.194 1.00 0.00 H new ATOM 306 N GLU A 20 20.152 -7.991 2.592 1.00 0.00 N ATOM 307 CA GLU A 20 20.011 -8.965 1.475 1.00 0.00 C ATOM 308 C GLU A 20 19.190 -10.214 1.915 1.00 0.00 C ATOM 309 O GLU A 20 19.552 -10.898 2.880 1.00 0.00 O ATOM 310 CB GLU A 20 21.414 -9.392 0.970 1.00 0.00 C ATOM 311 CG GLU A 20 22.161 -8.301 0.175 1.00 0.00 C ATOM 312 CD GLU A 20 23.535 -8.760 -0.315 1.00 0.00 C ATOM 313 OE1 GLU A 20 23.612 -9.400 -1.387 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.545 -8.484 0.371 1.00 0.00 O ATOM 0 H GLU A 20 21.115 -7.865 2.903 1.00 0.00 H new ATOM 0 HA GLU A 20 19.469 -8.480 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.023 -9.682 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.307 -10.275 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.556 -8.003 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.281 -7.418 0.803 1.00 0.00 H new ATOM 321 N GLY A 21 18.065 -10.465 1.222 1.00 0.00 N ATOM 322 CA GLY A 21 17.022 -11.388 1.704 1.00 0.00 C ATOM 323 C GLY A 21 17.311 -12.901 1.681 1.00 0.00 C ATOM 324 O GLY A 21 18.445 -13.369 1.537 1.00 0.00 O ATOM 0 H GLY A 21 17.854 -10.038 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.784 -11.112 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.125 -11.213 1.111 1.00 0.00 H new ATOM 328 N ARG A 22 16.215 -13.639 1.890 1.00 0.00 N ATOM 329 CA ARG A 22 16.253 -15.090 2.213 1.00 0.00 C ATOM 330 C ARG A 22 16.210 -16.006 0.959 1.00 0.00 C ATOM 331 O ARG A 22 17.168 -16.739 0.700 1.00 0.00 O ATOM 332 CB ARG A 22 15.186 -15.391 3.300 1.00 0.00 C ATOM 333 CG ARG A 22 15.321 -16.787 3.946 1.00 0.00 C ATOM 334 CD ARG A 22 14.350 -16.983 5.124 1.00 0.00 C ATOM 335 NE ARG A 22 14.413 -18.353 5.695 1.00 0.00 N ATOM 336 CZ ARG A 22 15.258 -18.747 6.670 1.00 0.00 C ATOM 337 NH1 ARG A 22 16.160 -17.952 7.243 1.00 0.00 N ATOM 338 NH2 ARG A 22 15.189 -20.001 7.081 1.00 0.00 N ATOM 0 H ARG A 22 15.270 -13.257 1.842 1.00 0.00 H new ATOM 0 HA ARG A 22 17.224 -15.342 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.254 -14.633 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.195 -15.302 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.134 -17.553 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.344 -16.926 4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.580 -16.257 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.333 -16.779 4.789 1.00 0.00 H new ATOM 0 HE ARG A 22 13.768 -19.049 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.242 -16.979 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.768 -18.316 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.511 -20.638 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.813 -20.332 7.817 1.00 0.00 H new ATOM 393 N PRO A 26 12.678 -14.275 -8.288 1.00 0.00 N ATOM 394 CA PRO A 26 11.824 -14.772 -9.400 1.00 0.00 C ATOM 395 C PRO A 26 12.041 -14.009 -10.746 1.00 0.00 C ATOM 396 O PRO A 26 12.864 -13.091 -10.851 1.00 0.00 O ATOM 397 CB PRO A 26 10.415 -14.614 -8.787 1.00 0.00 C ATOM 398 CG PRO A 26 10.512 -13.413 -7.852 1.00 0.00 C ATOM 399 CD PRO A 26 11.935 -13.472 -7.301 1.00 0.00 C ATOM 0 HA PRO A 26 12.044 -15.793 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.666 -14.449 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.120 -15.512 -8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.331 -12.479 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.774 -13.472 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.363 -12.475 -7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.960 -13.933 -6.314 1.00 0.00 H new ATOM 407 N ASP A 27 11.289 -14.423 -11.779 1.00 0.00 N ATOM 408 CA ASP A 27 11.371 -13.832 -13.147 1.00 0.00 C ATOM 409 C ASP A 27 11.096 -12.300 -13.297 1.00 0.00 C ATOM 410 O ASP A 27 11.806 -11.646 -14.065 1.00 0.00 O ATOM 411 CB ASP A 27 10.556 -14.696 -14.151 1.00 0.00 C ATOM 412 CG ASP A 27 9.034 -14.889 -13.961 1.00 0.00 C ATOM 413 OD1 ASP A 27 8.421 -14.279 -13.056 1.00 0.00 O ATOM 414 OD2 ASP A 27 8.444 -15.673 -14.737 1.00 0.00 O ATOM 0 H ASP A 27 10.605 -15.175 -11.701 1.00 0.00 H new ATOM 0 HA ASP A 27 12.432 -13.872 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.705 -14.266 -15.141 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.008 -15.688 -14.163 1.00 0.00 H new ATOM 419 N PHE A 28 10.088 -11.735 -12.592 1.00 0.00 N ATOM 420 CA PHE A 28 9.688 -10.296 -12.694 1.00 0.00 C ATOM 421 C PHE A 28 9.308 -9.818 -14.130 1.00 0.00 C ATOM 422 O PHE A 28 9.899 -8.885 -14.686 1.00 0.00 O ATOM 423 CB PHE A 28 10.687 -9.349 -11.968 1.00 0.00 C ATOM 424 CG PHE A 28 10.666 -9.403 -10.433 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.625 -8.777 -9.738 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.719 -9.980 -9.715 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.623 -8.749 -8.347 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.726 -9.928 -8.323 1.00 0.00 C ATOM 429 CZ PHE A 28 10.668 -9.333 -7.640 1.00 0.00 C ATOM 0 H PHE A 28 9.520 -12.262 -11.929 1.00 0.00 H new ATOM 0 HA PHE A 28 8.747 -10.230 -12.149 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.695 -9.587 -12.307 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.479 -8.325 -12.279 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.818 -8.313 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.527 -10.466 -10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.811 -8.274 -7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.554 -10.350 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.659 -9.325 -6.560 1.00 0.00 H new ATOM 439 N GLN A 29 8.286 -10.473 -14.699 1.00 0.00 N ATOM 440 CA GLN A 29 7.706 -10.143 -16.021 1.00 0.00 C ATOM 441 C GLN A 29 6.159 -9.975 -15.919 1.00 0.00 C ATOM 442 O GLN A 29 5.598 -9.937 -14.819 1.00 0.00 O ATOM 443 CB GLN A 29 8.208 -11.207 -17.043 1.00 0.00 C ATOM 444 CG GLN A 29 7.697 -12.653 -16.810 1.00 0.00 C ATOM 445 CD GLN A 29 8.311 -13.673 -17.765 1.00 0.00 C ATOM 446 OE1 GLN A 29 9.277 -14.364 -17.442 1.00 0.00 O ATOM 447 NE2 GLN A 29 7.767 -13.790 -18.961 1.00 0.00 N ATOM 0 H GLN A 29 7.826 -11.264 -14.249 1.00 0.00 H new ATOM 0 HA GLN A 29 8.044 -9.174 -16.388 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.911 -10.892 -18.043 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.298 -11.218 -17.023 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.918 -12.948 -15.784 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.613 -12.670 -16.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.967 -13.211 -19.216 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.147 -14.459 -19.631 1.00 0.00 H new ATOM 456 N ASP A 30 5.469 -9.846 -17.073 1.00 0.00 N ATOM 457 CA ASP A 30 4.020 -9.496 -17.131 1.00 0.00 C ATOM 458 C ASP A 30 3.120 -10.598 -16.486 1.00 0.00 C ATOM 459 O ASP A 30 2.870 -11.657 -17.071 1.00 0.00 O ATOM 460 CB ASP A 30 3.578 -9.195 -18.590 1.00 0.00 C ATOM 461 CG ASP A 30 4.241 -7.976 -19.253 1.00 0.00 C ATOM 462 OD1 ASP A 30 3.730 -6.845 -19.097 1.00 0.00 O ATOM 463 OD2 ASP A 30 5.278 -8.148 -19.930 1.00 0.00 O ATOM 0 H ASP A 30 5.893 -9.980 -17.991 1.00 0.00 H new ATOM 0 HA ASP A 30 3.886 -8.590 -16.540 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.785 -10.074 -19.201 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.498 -9.047 -18.599 1.00 0.00 H new ATOM 468 N GLY A 31 2.691 -10.314 -15.247 1.00 0.00 N ATOM 469 CA GLY A 31 1.962 -11.260 -14.380 1.00 0.00 C ATOM 470 C GLY A 31 2.763 -11.797 -13.171 1.00 0.00 C ATOM 471 O GLY A 31 2.584 -12.969 -12.841 1.00 0.00 O ATOM 0 H GLY A 31 2.842 -9.405 -14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.062 -10.769 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.637 -12.106 -14.985 1.00 0.00 H new ATOM 475 N THR A 32 3.590 -10.983 -12.476 1.00 0.00 N ATOM 476 CA THR A 32 4.259 -11.392 -11.219 1.00 0.00 C ATOM 477 C THR A 32 3.544 -10.591 -10.097 1.00 0.00 C ATOM 478 O THR A 32 3.434 -9.364 -10.133 1.00 0.00 O ATOM 479 CB THR A 32 5.797 -11.167 -11.337 1.00 0.00 C ATOM 480 OG1 THR A 32 6.381 -12.219 -12.095 1.00 0.00 O ATOM 481 CG2 THR A 32 6.563 -11.070 -10.006 1.00 0.00 C ATOM 0 H THR A 32 3.811 -10.031 -12.768 1.00 0.00 H new ATOM 0 HA THR A 32 4.174 -12.454 -10.990 1.00 0.00 H new ATOM 0 HB THR A 32 5.890 -10.194 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.347 -12.072 -12.168 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.623 -10.914 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.177 -10.233 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.433 -11.994 -9.443 1.00 0.00 H new ATOM 489 N LYS A 33 3.084 -11.319 -9.076 1.00 0.00 N ATOM 490 CA LYS A 33 2.420 -10.728 -7.894 1.00 0.00 C ATOM 491 C LYS A 33 3.466 -10.513 -6.768 1.00 0.00 C ATOM 492 O LYS A 33 3.745 -11.416 -5.978 1.00 0.00 O ATOM 493 CB LYS A 33 1.283 -11.720 -7.530 1.00 0.00 C ATOM 494 CG LYS A 33 0.512 -11.489 -6.212 1.00 0.00 C ATOM 495 CD LYS A 33 -0.610 -10.427 -6.227 1.00 0.00 C ATOM 496 CE LYS A 33 -0.189 -8.947 -6.302 1.00 0.00 C ATOM 497 NZ LYS A 33 0.764 -8.544 -5.253 1.00 0.00 N ATOM 0 H LYS A 33 3.158 -12.336 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 33 1.992 -9.741 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.560 -11.712 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.712 -12.721 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.074 -12.439 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.233 -11.208 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.259 -10.635 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.211 -10.560 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.257 -8.755 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.079 -8.322 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.884 -7.511 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.400 -8.834 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.682 -9.002 -5.424 1.00 0.00 H new ATOM 511 N ALA A 34 3.995 -9.285 -6.698 1.00 0.00 N ATOM 512 CA ALA A 34 4.966 -8.870 -5.655 1.00 0.00 C ATOM 513 C ALA A 34 4.246 -8.160 -4.479 1.00 0.00 C ATOM 514 O ALA A 34 3.662 -7.085 -4.631 1.00 0.00 O ATOM 515 CB ALA A 34 6.037 -7.983 -6.314 1.00 0.00 C ATOM 0 H ALA A 34 3.767 -8.543 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 34 5.455 -9.743 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.761 -7.667 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.547 -8.548 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.563 -7.105 -6.752 1.00 0.00 H new ATOM 521 N THR A 35 4.307 -8.808 -3.305 1.00 0.00 N ATOM 522 CA THR A 35 3.621 -8.365 -2.061 1.00 0.00 C ATOM 523 C THR A 35 4.718 -7.881 -1.071 1.00 0.00 C ATOM 524 O THR A 35 5.640 -8.623 -0.715 1.00 0.00 O ATOM 525 CB THR A 35 2.805 -9.574 -1.522 1.00 0.00 C ATOM 526 OG1 THR A 35 1.785 -9.930 -2.450 1.00 0.00 O ATOM 527 CG2 THR A 35 2.130 -9.358 -0.161 1.00 0.00 C ATOM 0 H THR A 35 4.840 -9.669 -3.182 1.00 0.00 H new ATOM 0 HA THR A 35 2.927 -7.539 -2.220 1.00 0.00 H new ATOM 0 HB THR A 35 3.548 -10.361 -1.391 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.278 -10.693 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.588 -10.260 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.888 -9.139 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.434 -8.522 -0.229 1.00 0.00 H new ATOM 535 N PHE A 36 4.607 -6.612 -0.651 1.00 0.00 N ATOM 536 CA PHE A 36 5.688 -5.913 0.103 1.00 0.00 C ATOM 537 C PHE A 36 5.128 -4.672 0.862 1.00 0.00 C ATOM 538 O PHE A 36 4.009 -4.216 0.622 1.00 0.00 O ATOM 539 CB PHE A 36 6.902 -5.572 -0.827 1.00 0.00 C ATOM 540 CG PHE A 36 6.634 -4.755 -2.092 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.620 -3.361 -2.055 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.354 -5.413 -3.292 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.316 -2.629 -3.195 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.023 -4.684 -4.423 1.00 0.00 C ATOM 545 CZ PHE A 36 6.002 -3.292 -4.373 1.00 0.00 C ATOM 0 H PHE A 36 3.781 -6.037 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 36 6.073 -6.591 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.637 -5.032 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.365 -6.512 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.847 -2.847 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.396 -6.491 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.324 -1.549 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.781 -5.195 -5.343 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.740 -2.726 -5.255 1.00 0.00 H new ATOM 555 N HIS A 37 5.941 -4.099 1.764 1.00 0.00 N ATOM 556 CA HIS A 37 5.687 -2.759 2.362 1.00 0.00 C ATOM 557 C HIS A 37 6.417 -1.624 1.593 1.00 0.00 C ATOM 558 O HIS A 37 7.378 -1.866 0.869 1.00 0.00 O ATOM 559 CB HIS A 37 6.181 -2.783 3.828 1.00 0.00 C ATOM 560 CG HIS A 37 5.251 -3.496 4.797 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.088 -2.925 5.245 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.485 -4.702 5.477 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.736 -3.832 6.189 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.491 -4.952 6.410 1.00 0.00 N ATOM 0 H HIS A 37 6.794 -4.543 2.105 1.00 0.00 H new ATOM 0 HA HIS A 37 4.618 -2.553 2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.158 -3.265 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.321 -1.757 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.330 -5.350 5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.845 -3.668 6.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.362 -5.728 7.059 1.00 0.00 H new ATOM 572 N TYR A 38 5.957 -0.377 1.784 1.00 0.00 N ATOM 573 CA TYR A 38 6.484 0.822 1.074 1.00 0.00 C ATOM 574 C TYR A 38 6.480 2.038 2.049 1.00 0.00 C ATOM 575 O TYR A 38 5.559 2.204 2.857 1.00 0.00 O ATOM 576 CB TYR A 38 5.639 1.049 -0.227 1.00 0.00 C ATOM 577 CG TYR A 38 4.359 1.921 -0.161 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.168 1.424 0.372 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.391 3.235 -0.637 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.015 2.202 0.379 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.242 4.025 -0.615 1.00 0.00 C ATOM 582 CZ TYR A 38 2.052 3.502 -0.119 1.00 0.00 C ATOM 583 OH TYR A 38 0.906 4.251 -0.136 1.00 0.00 O ATOM 0 H TYR A 38 5.204 -0.161 2.437 1.00 0.00 H new ATOM 0 HA TYR A 38 7.518 0.683 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.299 1.493 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.348 0.068 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.142 0.426 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.313 3.642 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.093 1.799 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.276 5.040 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 38 0.568 4.352 0.778 1.00 0.00 H new ATOM 593 N ARG A 39 7.485 2.920 1.924 1.00 0.00 N ATOM 594 CA ARG A 39 7.576 4.149 2.756 1.00 0.00 C ATOM 595 C ARG A 39 8.249 5.242 1.899 1.00 0.00 C ATOM 596 O ARG A 39 9.478 5.313 1.787 1.00 0.00 O ATOM 597 CB ARG A 39 8.337 3.855 4.070 1.00 0.00 C ATOM 598 CG ARG A 39 8.055 4.810 5.255 1.00 0.00 C ATOM 599 CD ARG A 39 9.158 5.852 5.545 1.00 0.00 C ATOM 600 NE ARG A 39 10.496 5.280 5.866 1.00 0.00 N ATOM 601 CZ ARG A 39 10.858 4.770 7.060 1.00 0.00 C ATOM 602 NH1 ARG A 39 10.051 4.706 8.118 1.00 0.00 N ATOM 603 NH2 ARG A 39 12.085 4.304 7.189 1.00 0.00 N ATOM 0 H ARG A 39 8.250 2.812 1.257 1.00 0.00 H new ATOM 0 HA ARG A 39 6.589 4.500 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.097 2.839 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.406 3.879 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.122 5.339 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.900 4.211 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.257 6.505 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.837 6.476 6.379 1.00 0.00 H new ATOM 0 HE ARG A 39 11.194 5.274 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.095 5.056 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.389 4.307 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.729 4.336 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.390 3.911 8.079 1.00 0.00 H new ATOM 617 N THR A 40 7.412 6.097 1.295 1.00 0.00 N ATOM 618 CA THR A 40 7.879 7.215 0.446 1.00 0.00 C ATOM 619 C THR A 40 8.121 8.452 1.340 1.00 0.00 C ATOM 620 O THR A 40 7.210 8.935 2.017 1.00 0.00 O ATOM 621 CB THR A 40 6.898 7.513 -0.715 1.00 0.00 C ATOM 622 OG1 THR A 40 5.590 7.815 -0.247 1.00 0.00 O ATOM 623 CG2 THR A 40 6.794 6.354 -1.708 1.00 0.00 C ATOM 0 H THR A 40 6.397 6.039 1.377 1.00 0.00 H new ATOM 0 HA THR A 40 8.818 6.934 -0.031 1.00 0.00 H new ATOM 0 HB THR A 40 7.316 8.383 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.942 7.660 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.094 6.616 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.775 6.157 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.440 5.462 -1.191 1.00 0.00 H new ATOM 631 N LEU A 41 9.367 8.940 1.334 1.00 0.00 N ATOM 632 CA LEU A 41 9.758 10.170 2.051 1.00 0.00 C ATOM 633 C LEU A 41 10.631 11.068 1.131 1.00 0.00 C ATOM 634 O LEU A 41 11.305 10.603 0.209 1.00 0.00 O ATOM 635 CB LEU A 41 10.378 9.806 3.430 1.00 0.00 C ATOM 636 CG LEU A 41 11.842 9.277 3.496 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.509 9.672 4.828 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.939 7.756 3.284 1.00 0.00 C ATOM 0 H LEU A 41 10.137 8.496 0.833 1.00 0.00 H new ATOM 0 HA LEU A 41 8.888 10.782 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.323 10.695 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.737 9.052 3.888 1.00 0.00 H new ATOM 0 HG LEU A 41 12.376 9.750 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.530 9.291 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.524 10.758 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.945 9.246 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.983 7.447 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.366 7.244 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.537 7.499 2.304 1.00 0.00 H new ATOM 650 N HIS A 42 10.637 12.376 1.421 1.00 0.00 N ATOM 651 CA HIS A 42 11.420 13.384 0.660 1.00 0.00 C ATOM 652 C HIS A 42 12.944 13.231 0.931 1.00 0.00 C ATOM 653 O HIS A 42 13.376 13.009 2.067 1.00 0.00 O ATOM 654 CB HIS A 42 10.881 14.798 1.020 1.00 0.00 C ATOM 655 CG HIS A 42 9.552 15.140 0.333 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.296 14.800 0.808 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.433 15.723 -0.936 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.521 15.235 -0.233 1.00 0.00 C ATOM 659 NE2 HIS A 42 8.105 15.805 -1.334 1.00 0.00 N ATOM 0 H HIS A 42 10.100 12.776 2.191 1.00 0.00 H new ATOM 0 HA HIS A 42 11.296 13.229 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.750 14.864 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.626 15.544 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.268 16.065 -1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.447 15.129 -0.187 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.690 16.177 -2.188 1.00 0.00 H new ATOM 667 N SER A 43 13.742 13.304 -0.151 1.00 0.00 N ATOM 668 CA SER A 43 15.195 12.979 -0.116 1.00 0.00 C ATOM 669 C SER A 43 16.045 14.053 0.627 1.00 0.00 C ATOM 670 O SER A 43 16.640 13.740 1.661 1.00 0.00 O ATOM 671 CB SER A 43 15.678 12.678 -1.555 1.00 0.00 C ATOM 672 OG SER A 43 17.023 12.213 -1.554 1.00 0.00 O ATOM 0 H SER A 43 13.408 13.587 -1.072 1.00 0.00 H new ATOM 0 HA SER A 43 15.344 12.081 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.031 11.929 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.601 13.579 -2.164 1.00 0.00 H new ATOM 0 HG SER A 43 17.306 12.028 -2.474 1.00 0.00 H new ATOM 678 N ASP A 44 16.088 15.291 0.102 1.00 0.00 N ATOM 679 CA ASP A 44 16.813 16.437 0.732 1.00 0.00 C ATOM 680 C ASP A 44 16.002 17.771 0.797 1.00 0.00 C ATOM 681 O ASP A 44 16.383 18.643 1.585 1.00 0.00 O ATOM 682 CB ASP A 44 18.171 16.687 0.019 1.00 0.00 C ATOM 683 CG ASP A 44 19.225 15.586 0.212 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.945 15.607 1.234 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.327 14.690 -0.656 1.00 0.00 O ATOM 0 H ASP A 44 15.624 15.537 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 44 16.973 16.131 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.986 16.807 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.584 17.630 0.379 1.00 0.00 H new ATOM 690 N ASP A 45 14.912 17.944 0.016 1.00 0.00 N ATOM 691 CA ASP A 45 14.023 19.142 0.065 1.00 0.00 C ATOM 692 C ASP A 45 13.474 19.504 1.481 1.00 0.00 C ATOM 693 O ASP A 45 13.640 20.647 1.918 1.00 0.00 O ATOM 694 CB ASP A 45 12.876 18.921 -0.958 1.00 0.00 C ATOM 695 CG ASP A 45 12.027 20.161 -1.274 1.00 0.00 C ATOM 696 OD1 ASP A 45 12.494 21.036 -2.035 1.00 0.00 O ATOM 697 OD2 ASP A 45 10.887 20.258 -0.768 1.00 0.00 O ATOM 0 H ASP A 45 14.616 17.254 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 45 14.626 20.011 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.308 18.551 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.219 18.139 -0.578 1.00 0.00 H new ATOM 702 N GLU A 46 12.840 18.535 2.166 1.00 0.00 N ATOM 703 CA GLU A 46 12.369 18.689 3.566 1.00 0.00 C ATOM 704 C GLU A 46 12.857 17.539 4.504 1.00 0.00 C ATOM 705 O GLU A 46 13.007 17.777 5.706 1.00 0.00 O ATOM 706 CB GLU A 46 10.823 18.846 3.552 1.00 0.00 C ATOM 707 CG GLU A 46 10.217 19.396 4.864 1.00 0.00 C ATOM 708 CD GLU A 46 8.726 19.740 4.766 1.00 0.00 C ATOM 709 OE1 GLU A 46 8.358 20.618 3.954 1.00 0.00 O ATOM 710 OE2 GLU A 46 7.917 19.150 5.515 1.00 0.00 O ATOM 0 H GLU A 46 12.636 17.618 1.768 1.00 0.00 H new ATOM 0 HA GLU A 46 12.813 19.588 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.546 19.511 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.375 17.875 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.358 18.659 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.767 20.290 5.160 1.00 0.00 H new ATOM 717 N GLY A 47 13.041 16.304 3.991 1.00 0.00 N ATOM 718 CA GLY A 47 13.127 15.091 4.832 1.00 0.00 C ATOM 719 C GLY A 47 11.800 14.486 5.374 1.00 0.00 C ATOM 720 O GLY A 47 11.862 13.575 6.203 1.00 0.00 O ATOM 0 H GLY A 47 13.133 16.120 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.635 14.319 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.763 15.321 5.687 1.00 0.00 H new ATOM 724 N THR A 48 10.627 14.978 4.926 1.00 0.00 N ATOM 725 CA THR A 48 9.300 14.577 5.468 1.00 0.00 C ATOM 726 C THR A 48 8.782 13.271 4.813 1.00 0.00 C ATOM 727 O THR A 48 8.883 13.087 3.598 1.00 0.00 O ATOM 728 CB THR A 48 8.293 15.757 5.325 1.00 0.00 C ATOM 729 OG1 THR A 48 7.125 15.484 6.091 1.00 0.00 O ATOM 730 CG2 THR A 48 7.850 16.106 3.890 1.00 0.00 C ATOM 0 H THR A 48 10.567 15.667 4.176 1.00 0.00 H new ATOM 0 HA THR A 48 9.408 14.354 6.530 1.00 0.00 H new ATOM 0 HB THR A 48 8.847 16.624 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.494 16.228 6.001 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.150 16.941 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.722 16.383 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.364 15.241 3.439 1.00 0.00 H new ATOM 738 N VAL A 49 8.154 12.413 5.627 1.00 0.00 N ATOM 739 CA VAL A 49 7.478 11.184 5.137 1.00 0.00 C ATOM 740 C VAL A 49 6.062 11.571 4.634 1.00 0.00 C ATOM 741 O VAL A 49 5.172 11.940 5.407 1.00 0.00 O ATOM 742 CB VAL A 49 7.573 10.000 6.146 1.00 0.00 C ATOM 743 CG1 VAL A 49 7.065 10.313 7.570 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.897 8.712 5.633 1.00 0.00 C ATOM 0 H VAL A 49 8.095 12.541 6.637 1.00 0.00 H new ATOM 0 HA VAL A 49 8.001 10.766 4.276 1.00 0.00 H new ATOM 0 HB VAL A 49 8.648 9.835 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.172 9.428 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.649 11.131 7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.015 10.602 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.998 7.926 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.840 8.904 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.375 8.395 4.706 1.00 0.00 H new ATOM 754 N LEU A 50 5.908 11.474 3.305 1.00 0.00 N ATOM 755 CA LEU A 50 4.614 11.684 2.619 1.00 0.00 C ATOM 756 C LEU A 50 3.642 10.465 2.699 1.00 0.00 C ATOM 757 O LEU A 50 2.427 10.673 2.749 1.00 0.00 O ATOM 758 CB LEU A 50 4.887 12.175 1.164 1.00 0.00 C ATOM 759 CG LEU A 50 5.394 11.130 0.125 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.308 10.779 -0.901 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.685 11.553 -0.598 1.00 0.00 C ATOM 0 H LEU A 50 6.674 11.248 2.671 1.00 0.00 H new ATOM 0 HA LEU A 50 4.068 12.461 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.964 12.609 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.621 12.979 1.215 1.00 0.00 H new ATOM 0 HG LEU A 50 5.634 10.242 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.699 10.048 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.443 10.360 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.010 11.680 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.977 10.777 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.513 12.486 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.481 11.696 0.133 1.00 0.00 H new ATOM 773 N ASP A 51 4.174 9.220 2.686 1.00 0.00 N ATOM 774 CA ASP A 51 3.369 7.982 2.751 1.00 0.00 C ATOM 775 C ASP A 51 4.176 6.876 3.497 1.00 0.00 C ATOM 776 O ASP A 51 5.407 6.804 3.421 1.00 0.00 O ATOM 777 CB ASP A 51 2.915 7.539 1.328 1.00 0.00 C ATOM 778 CG ASP A 51 1.458 7.064 1.247 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.056 6.181 2.037 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.707 7.571 0.384 1.00 0.00 O ATOM 0 H ASP A 51 5.178 9.048 2.630 1.00 0.00 H new ATOM 0 HA ASP A 51 2.457 8.167 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.051 8.374 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.566 6.735 0.986 1.00 0.00 H new ATOM 785 N ASP A 52 3.457 6.022 4.240 1.00 0.00 N ATOM 786 CA ASP A 52 4.053 5.036 5.178 1.00 0.00 C ATOM 787 C ASP A 52 3.046 3.876 5.388 1.00 0.00 C ATOM 788 O ASP A 52 1.909 4.097 5.816 1.00 0.00 O ATOM 789 CB ASP A 52 4.508 5.691 6.515 1.00 0.00 C ATOM 790 CG ASP A 52 3.504 6.573 7.288 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.596 6.030 7.956 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.624 7.816 7.219 1.00 0.00 O ATOM 0 H ASP A 52 2.438 5.989 4.213 1.00 0.00 H new ATOM 0 HA ASP A 52 4.966 4.631 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.828 4.891 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.387 6.299 6.303 1.00 0.00 H new ATOM 797 N SER A 53 3.492 2.646 5.080 1.00 0.00 N ATOM 798 CA SER A 53 2.663 1.410 5.224 1.00 0.00 C ATOM 799 C SER A 53 3.118 0.455 6.358 1.00 0.00 C ATOM 800 O SER A 53 2.293 0.045 7.176 1.00 0.00 O ATOM 801 CB SER A 53 2.513 0.683 3.881 1.00 0.00 C ATOM 802 OG SER A 53 3.687 -0.001 3.483 1.00 0.00 O ATOM 0 H SER A 53 4.431 2.468 4.725 1.00 0.00 H new ATOM 0 HA SER A 53 1.678 1.755 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.691 -0.030 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.243 1.407 3.112 1.00 0.00 H new ATOM 0 HG SER A 53 3.767 -0.836 3.990 1.00 0.00 H new ATOM 808 N ARG A 54 4.420 0.114 6.412 1.00 0.00 N ATOM 809 CA ARG A 54 5.055 -0.558 7.576 1.00 0.00 C ATOM 810 C ARG A 54 5.054 0.201 8.932 1.00 0.00 C ATOM 811 O ARG A 54 5.246 -0.429 9.976 1.00 0.00 O ATOM 812 CB ARG A 54 6.510 -0.987 7.218 1.00 0.00 C ATOM 813 CG ARG A 54 7.444 0.023 6.492 1.00 0.00 C ATOM 814 CD ARG A 54 7.873 1.308 7.232 1.00 0.00 C ATOM 815 NE ARG A 54 8.529 1.089 8.547 1.00 0.00 N ATOM 816 CZ ARG A 54 9.834 0.802 8.720 1.00 0.00 C ATOM 817 NH1 ARG A 54 10.705 0.658 7.723 1.00 0.00 N ATOM 818 NH2 ARG A 54 10.278 0.651 9.953 1.00 0.00 N ATOM 0 H ARG A 54 5.070 0.296 5.647 1.00 0.00 H new ATOM 0 HA ARG A 54 4.404 -1.414 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.002 -1.281 8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.445 -1.879 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.350 -0.512 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.949 0.324 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.555 1.867 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.993 1.933 7.382 1.00 0.00 H new ATOM 0 HE ARG A 54 7.947 1.161 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.396 0.765 6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.681 0.440 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.639 0.752 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.261 0.433 10.118 1.00 0.00 H new ATOM 832 N ALA A 55 4.817 1.527 8.916 1.00 0.00 N ATOM 833 CA ALA A 55 4.581 2.323 10.144 1.00 0.00 C ATOM 834 C ALA A 55 3.368 1.871 11.018 1.00 0.00 C ATOM 835 O ALA A 55 3.482 1.791 12.244 1.00 0.00 O ATOM 836 CB ALA A 55 4.454 3.793 9.718 1.00 0.00 C ATOM 0 H ALA A 55 4.783 2.077 8.058 1.00 0.00 H new ATOM 0 HA ALA A 55 5.431 2.164 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.279 4.413 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.374 4.110 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.618 3.900 9.026 1.00 0.00 H new ATOM 842 N ARG A 56 2.244 1.542 10.358 1.00 0.00 N ATOM 843 CA ARG A 56 1.093 0.817 10.964 1.00 0.00 C ATOM 844 C ARG A 56 1.160 -0.747 10.902 1.00 0.00 C ATOM 845 O ARG A 56 0.465 -1.397 11.688 1.00 0.00 O ATOM 846 CB ARG A 56 -0.237 1.358 10.360 1.00 0.00 C ATOM 847 CG ARG A 56 -0.437 1.352 8.816 1.00 0.00 C ATOM 848 CD ARG A 56 0.185 2.501 7.990 1.00 0.00 C ATOM 849 NE ARG A 56 -0.222 3.864 8.425 1.00 0.00 N ATOM 850 CZ ARG A 56 -0.932 4.742 7.689 1.00 0.00 C ATOM 851 NH1 ARG A 56 -1.408 4.490 6.472 1.00 0.00 N ATOM 852 NH2 ARG A 56 -1.172 5.930 8.210 1.00 0.00 N ATOM 0 H ARG A 56 2.099 1.771 9.375 1.00 0.00 H new ATOM 0 HA ARG A 56 1.142 1.027 12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.052 0.781 10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.356 2.387 10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.037 0.413 8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.509 1.345 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.271 2.425 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.091 2.370 6.944 1.00 0.00 H new ATOM 0 HE ARG A 56 0.060 4.159 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.243 3.582 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.938 5.205 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.823 6.158 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.706 6.620 7.682 1.00 0.00 H new ATOM 866 N GLY A 57 1.947 -1.347 9.985 1.00 0.00 N ATOM 867 CA GLY A 57 1.976 -2.813 9.759 1.00 0.00 C ATOM 868 C GLY A 57 0.968 -3.401 8.740 1.00 0.00 C ATOM 869 O GLY A 57 0.599 -4.569 8.885 1.00 0.00 O ATOM 0 H GLY A 57 2.583 -0.830 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.980 -3.083 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.810 -3.304 10.718 1.00 0.00 H new ATOM 873 N LYS A 58 0.561 -2.626 7.715 1.00 0.00 N ATOM 874 CA LYS A 58 -0.444 -3.049 6.705 1.00 0.00 C ATOM 875 C LYS A 58 0.238 -3.066 5.295 1.00 0.00 C ATOM 876 O LYS A 58 0.431 -1.984 4.733 1.00 0.00 O ATOM 877 CB LYS A 58 -1.690 -2.112 6.735 1.00 0.00 C ATOM 878 CG LYS A 58 -2.415 -1.897 8.088 1.00 0.00 C ATOM 879 CD LYS A 58 -2.798 -3.187 8.833 1.00 0.00 C ATOM 880 CE LYS A 58 -3.669 -2.931 10.074 1.00 0.00 C ATOM 881 NZ LYS A 58 -3.980 -4.190 10.773 1.00 0.00 N ATOM 0 H LYS A 58 0.919 -1.684 7.559 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.802 -4.052 6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.380 -1.135 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.419 -2.505 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.774 -1.298 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.320 -1.316 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.333 -3.848 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.890 -3.708 9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.151 -2.253 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.595 -2.438 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.569 -3.988 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.495 -4.825 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.096 -4.646 11.076 1.00 0.00 H new ATOM 895 N PRO A 59 0.624 -4.228 4.685 1.00 0.00 N ATOM 896 CA PRO A 59 1.396 -4.258 3.412 1.00 0.00 C ATOM 897 C PRO A 59 0.542 -4.038 2.136 1.00 0.00 C ATOM 898 O PRO A 59 -0.626 -4.435 2.053 1.00 0.00 O ATOM 899 CB PRO A 59 2.053 -5.656 3.446 1.00 0.00 C ATOM 900 CG PRO A 59 1.157 -6.515 4.337 1.00 0.00 C ATOM 901 CD PRO A 59 0.537 -5.549 5.336 1.00 0.00 C ATOM 0 HA PRO A 59 2.109 -3.436 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.127 -6.078 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.066 -5.603 3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.390 -7.021 3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.733 -7.289 4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.497 -5.815 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.076 -5.560 6.283 1.00 0.00 H new ATOM 909 N MET A 60 1.188 -3.419 1.136 1.00 0.00 N ATOM 910 CA MET A 60 0.603 -3.209 -0.212 1.00 0.00 C ATOM 911 C MET A 60 0.820 -4.443 -1.150 1.00 0.00 C ATOM 912 O MET A 60 1.486 -5.429 -0.811 1.00 0.00 O ATOM 913 CB MET A 60 1.143 -1.865 -0.791 1.00 0.00 C ATOM 914 CG MET A 60 2.671 -1.719 -0.891 1.00 0.00 C ATOM 915 SD MET A 60 3.410 -3.043 -1.848 1.00 0.00 S ATOM 916 CE MET A 60 2.962 -2.576 -3.515 1.00 0.00 C ATOM 0 H MET A 60 2.133 -3.047 1.232 1.00 0.00 H new ATOM 0 HA MET A 60 -0.481 -3.125 -0.135 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.723 -1.731 -1.788 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.763 -1.051 -0.173 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.915 -0.761 -1.349 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.101 -1.712 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.081 -3.433 -4.177 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.924 -2.244 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.608 -1.765 -3.852 1.00 0.00 H new ATOM 926 N GLU A 61 0.220 -4.348 -2.346 1.00 0.00 N ATOM 927 CA GLU A 61 0.285 -5.390 -3.398 1.00 0.00 C ATOM 928 C GLU A 61 0.422 -4.708 -4.785 1.00 0.00 C ATOM 929 O GLU A 61 -0.429 -3.917 -5.206 1.00 0.00 O ATOM 930 CB GLU A 61 -0.983 -6.285 -3.342 1.00 0.00 C ATOM 931 CG GLU A 61 -0.950 -7.369 -2.242 1.00 0.00 C ATOM 932 CD GLU A 61 -1.623 -6.991 -0.917 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.846 -6.725 -0.911 1.00 0.00 O ATOM 934 OE2 GLU A 61 -0.935 -6.971 0.128 1.00 0.00 O ATOM 0 H GLU A 61 -0.333 -3.536 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 61 1.154 -6.027 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.855 -5.650 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.114 -6.770 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.430 -8.268 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.090 -7.625 -2.040 1.00 0.00 H new ATOM 941 N LEU A 62 1.514 -5.063 -5.482 1.00 0.00 N ATOM 942 CA LEU A 62 1.843 -4.559 -6.839 1.00 0.00 C ATOM 943 C LEU A 62 1.767 -5.755 -7.821 1.00 0.00 C ATOM 944 O LEU A 62 2.342 -6.826 -7.602 1.00 0.00 O ATOM 945 CB LEU A 62 3.246 -3.883 -6.816 1.00 0.00 C ATOM 946 CG LEU A 62 3.996 -3.634 -8.156 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.528 -2.366 -8.869 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.508 -3.675 -7.982 1.00 0.00 C ATOM 0 H LEU A 62 2.207 -5.717 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 62 1.136 -3.799 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.137 -2.919 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.893 -4.495 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 62 3.732 -4.463 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.086 -2.244 -9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.464 -2.446 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.700 -1.503 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.990 -3.496 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.814 -2.905 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.804 -4.654 -7.604 1.00 0.00 H new ATOM 960 N ILE A 63 1.108 -5.487 -8.956 1.00 0.00 N ATOM 961 CA ILE A 63 1.059 -6.412 -10.114 1.00 0.00 C ATOM 962 C ILE A 63 2.116 -5.864 -11.121 1.00 0.00 C ATOM 963 O ILE A 63 2.079 -4.699 -11.535 1.00 0.00 O ATOM 964 CB ILE A 63 -0.401 -6.543 -10.688 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.403 -7.288 -9.750 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.442 -7.289 -12.044 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.825 -6.543 -8.478 1.00 0.00 C ATOM 0 H ILE A 63 0.589 -4.621 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 63 1.308 -7.440 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.709 -5.503 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.300 -7.521 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.956 -8.238 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.472 -7.351 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.158 -6.747 -12.775 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.040 -8.294 -11.918 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.521 -7.160 -7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.945 -6.334 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.310 -5.605 -8.749 1.00 0.00 H new ATOM 979 N ILE A 64 3.022 -6.760 -11.546 1.00 0.00 N ATOM 980 CA ILE A 64 3.996 -6.476 -12.640 1.00 0.00 C ATOM 981 C ILE A 64 3.212 -6.542 -13.990 1.00 0.00 C ATOM 982 O ILE A 64 2.827 -7.631 -14.409 1.00 0.00 O ATOM 983 CB ILE A 64 5.245 -7.428 -12.655 1.00 0.00 C ATOM 984 CG1 ILE A 64 6.021 -7.590 -11.317 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.253 -7.075 -13.783 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.688 -6.359 -10.727 1.00 0.00 C ATOM 0 H ILE A 64 3.109 -7.697 -11.152 1.00 0.00 H new ATOM 0 HA ILE A 64 4.420 -5.486 -12.474 1.00 0.00 H new ATOM 0 HB ILE A 64 4.778 -8.394 -12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.327 -7.983 -10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.790 -8.348 -11.466 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.096 -7.765 -13.746 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.759 -7.157 -14.751 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.612 -6.055 -13.644 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.189 -6.627 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.420 -5.968 -11.434 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.934 -5.597 -10.527 1.00 0.00 H new ATOM 998 N GLY A 65 2.980 -5.399 -14.654 1.00 0.00 N ATOM 999 CA GLY A 65 2.519 -5.355 -16.066 1.00 0.00 C ATOM 1000 C GLY A 65 1.249 -6.136 -16.475 1.00 0.00 C ATOM 1001 O GLY A 65 1.314 -6.971 -17.380 1.00 0.00 O ATOM 0 H GLY A 65 3.104 -4.477 -14.236 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.357 -4.309 -16.325 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.338 -5.714 -16.689 1.00 0.00 H new ATOM 1005 N LYS A 66 0.110 -5.859 -15.817 1.00 0.00 N ATOM 1006 CA LYS A 66 -1.201 -6.482 -16.156 1.00 0.00 C ATOM 1007 C LYS A 66 -2.355 -5.538 -15.711 1.00 0.00 C ATOM 1008 O LYS A 66 -3.155 -5.151 -16.569 1.00 0.00 O ATOM 1009 CB LYS A 66 -1.320 -7.956 -15.655 1.00 0.00 C ATOM 1010 CG LYS A 66 -2.443 -8.820 -16.281 1.00 0.00 C ATOM 1011 CD LYS A 66 -3.872 -8.652 -15.710 1.00 0.00 C ATOM 1012 CE LYS A 66 -4.097 -9.119 -14.256 1.00 0.00 C ATOM 1013 NZ LYS A 66 -4.053 -10.585 -14.106 1.00 0.00 N ATOM 0 H LYS A 66 0.062 -5.202 -15.038 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.281 -6.587 -17.238 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.368 -8.454 -15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.469 -7.936 -14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.479 -8.604 -17.349 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.160 -9.867 -16.177 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.142 -7.598 -15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.562 -9.198 -16.353 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.337 -8.671 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.063 -8.753 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.709 -10.877 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.331 -11.034 -15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.087 -10.880 -13.856 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.457 -5.165 -14.411 1.00 0.00 N ATOM 1028 CA LYS A 67 -3.419 -4.126 -13.944 1.00 0.00 C ATOM 1029 C LYS A 67 -2.821 -3.096 -12.929 1.00 0.00 C ATOM 1030 O LYS A 67 -3.497 -2.708 -11.970 1.00 0.00 O ATOM 1031 CB LYS A 67 -4.790 -4.760 -13.550 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.875 -5.810 -12.411 1.00 0.00 C ATOM 1033 CD LYS A 67 -4.821 -5.249 -10.971 1.00 0.00 C ATOM 1034 CE LYS A 67 -5.286 -6.218 -9.867 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.750 -6.406 -9.846 1.00 0.00 N ATOM 0 H LYS A 67 -1.887 -5.565 -13.666 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.635 -3.481 -14.796 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.458 -3.941 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.199 -5.225 -14.447 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.803 -6.370 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.057 -6.519 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.797 -4.944 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.437 -4.351 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.803 -7.184 -10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.959 -5.840 -8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.004 -7.067 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.215 -5.491 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.063 -6.793 -10.759 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.601 -2.571 -13.191 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.987 -1.481 -12.394 1.00 0.00 C ATOM 1051 C PHE A 68 -0.493 -0.348 -13.331 1.00 0.00 C ATOM 1052 O PHE A 68 0.115 -0.579 -14.383 1.00 0.00 O ATOM 1053 CB PHE A 68 0.165 -2.015 -11.501 1.00 0.00 C ATOM 1054 CG PHE A 68 0.312 -1.272 -10.162 1.00 0.00 C ATOM 1055 CD1 PHE A 68 1.160 -0.166 -10.033 1.00 0.00 C ATOM 1056 CD2 PHE A 68 -0.368 -1.749 -9.034 1.00 0.00 C ATOM 1057 CE1 PHE A 68 1.326 0.450 -8.794 1.00 0.00 C ATOM 1058 CE2 PHE A 68 -0.196 -1.135 -7.798 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.654 -0.041 -7.678 1.00 0.00 C ATOM 0 H PHE A 68 -1.014 -2.891 -13.961 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.747 -1.072 -11.729 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.004 -3.073 -11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.103 -1.940 -12.052 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.687 0.211 -10.897 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.029 -2.598 -9.125 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.976 1.308 -8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.722 -1.508 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.793 0.429 -6.716 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.747 0.890 -12.887 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.450 2.122 -13.662 1.00 0.00 C ATOM 1071 C LYS A 69 1.015 2.653 -13.563 1.00 0.00 C ATOM 1072 O LYS A 69 1.481 3.245 -14.539 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.450 3.235 -13.260 1.00 0.00 C ATOM 1074 CG LYS A 69 -2.925 3.000 -13.643 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.783 2.290 -12.574 1.00 0.00 C ATOM 1076 CE LYS A 69 -5.149 1.874 -13.139 1.00 0.00 C ATOM 1077 NZ LYS A 69 -6.070 1.417 -12.081 1.00 0.00 N ATOM 0 H LYS A 69 -1.167 1.076 -11.976 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.565 1.838 -14.708 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.395 3.371 -12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.123 4.170 -13.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.382 3.964 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.955 2.410 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.255 1.409 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.927 2.953 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.594 2.717 -13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.011 1.076 -13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.980 1.146 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.658 0.597 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.223 2.186 -11.398 1.00 0.00 H new ATOM 1091 N LEU A 70 1.701 2.498 -12.410 1.00 0.00 N ATOM 1092 CA LEU A 70 3.011 3.140 -12.126 1.00 0.00 C ATOM 1093 C LEU A 70 4.171 2.119 -12.386 1.00 0.00 C ATOM 1094 O LEU A 70 4.356 1.223 -11.554 1.00 0.00 O ATOM 1095 CB LEU A 70 2.961 3.715 -10.676 1.00 0.00 C ATOM 1096 CG LEU A 70 4.003 4.742 -10.150 1.00 0.00 C ATOM 1097 CD1 LEU A 70 5.040 4.124 -9.207 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.639 5.640 -11.224 1.00 0.00 C ATOM 0 H LEU A 70 1.362 1.920 -11.641 1.00 0.00 H new ATOM 0 HA LEU A 70 3.214 3.976 -12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.981 4.176 -10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.996 2.861 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 70 3.404 5.426 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.737 4.895 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.535 3.696 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.587 3.341 -9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.350 6.320 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.157 5.021 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.861 6.217 -11.723 1.00 0.00 H new ATOM 1110 N PRO A 71 4.960 2.193 -13.502 1.00 0.00 N ATOM 1111 CA PRO A 71 6.040 1.211 -13.821 1.00 0.00 C ATOM 1112 C PRO A 71 7.383 1.302 -13.026 1.00 0.00 C ATOM 1113 O PRO A 71 8.162 0.346 -13.072 1.00 0.00 O ATOM 1114 CB PRO A 71 6.264 1.473 -15.324 1.00 0.00 C ATOM 1115 CG PRO A 71 5.977 2.964 -15.511 1.00 0.00 C ATOM 1116 CD PRO A 71 4.816 3.220 -14.552 1.00 0.00 C ATOM 0 HA PRO A 71 5.721 0.209 -13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.284 1.227 -15.620 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.599 0.863 -15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.845 3.575 -15.264 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.707 3.196 -16.541 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.864 4.225 -14.132 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.856 3.133 -15.061 1.00 0.00 H new ATOM 1124 N VAL A 72 7.655 2.417 -12.316 1.00 0.00 N ATOM 1125 CA VAL A 72 8.852 2.554 -11.430 1.00 0.00 C ATOM 1126 C VAL A 72 8.825 1.626 -10.174 1.00 0.00 C ATOM 1127 O VAL A 72 9.873 1.064 -9.855 1.00 0.00 O ATOM 1128 CB VAL A 72 9.199 4.043 -11.139 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.163 4.828 -10.325 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.597 4.237 -10.509 1.00 0.00 C ATOM 0 H VAL A 72 7.062 3.247 -12.333 1.00 0.00 H new ATOM 0 HA VAL A 72 9.699 2.168 -11.998 1.00 0.00 H new ATOM 0 HB VAL A 72 9.191 4.469 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.511 5.851 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.213 4.838 -10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.029 4.353 -9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.773 5.298 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.647 3.699 -9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.358 3.851 -11.187 1.00 0.00 H new ATOM 1140 N TRP A 73 7.659 1.407 -9.520 1.00 0.00 N ATOM 1141 CA TRP A 73 7.459 0.294 -8.540 1.00 0.00 C ATOM 1142 C TRP A 73 7.822 -1.130 -9.049 1.00 0.00 C ATOM 1143 O TRP A 73 8.333 -1.919 -8.259 1.00 0.00 O ATOM 1144 CB TRP A 73 6.006 0.339 -7.967 1.00 0.00 C ATOM 1145 CG TRP A 73 5.749 1.357 -6.843 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.502 2.526 -6.601 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.740 1.377 -5.887 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.999 3.264 -5.528 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.909 2.544 -5.101 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.647 0.505 -5.636 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 3.998 2.854 -4.072 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.752 0.835 -4.611 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.930 1.990 -3.843 1.00 0.00 C ATOM 0 H TRP A 73 6.831 1.989 -9.650 1.00 0.00 H new ATOM 0 HA TRP A 73 8.184 0.478 -7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.321 0.554 -8.787 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.754 -0.654 -7.594 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.367 2.816 -7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.359 4.139 -5.147 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.510 -0.392 -6.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.125 3.744 -3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.911 0.188 -4.410 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.225 2.217 -3.057 1.00 0.00 H new ATOM 1164 N GLU A 74 7.584 -1.424 -10.336 1.00 0.00 N ATOM 1165 CA GLU A 74 7.938 -2.725 -10.983 1.00 0.00 C ATOM 1166 C GLU A 74 9.462 -2.957 -11.281 1.00 0.00 C ATOM 1167 O GLU A 74 9.923 -4.099 -11.226 1.00 0.00 O ATOM 1168 CB GLU A 74 7.096 -2.904 -12.278 1.00 0.00 C ATOM 1169 CG GLU A 74 5.559 -2.725 -12.175 1.00 0.00 C ATOM 1170 CD GLU A 74 4.795 -2.742 -13.504 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.313 -3.251 -14.525 1.00 0.00 O ATOM 1172 OE2 GLU A 74 3.647 -2.243 -13.527 1.00 0.00 O ATOM 0 H GLU A 74 7.136 -0.767 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 74 7.696 -3.487 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.466 -2.195 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.291 -3.903 -12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.162 -3.516 -11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.355 -1.780 -11.672 1.00 0.00 H new ATOM 1179 N THR A 75 10.223 -1.891 -11.589 1.00 0.00 N ATOM 1180 CA THR A 75 11.699 -1.923 -11.827 1.00 0.00 C ATOM 1181 C THR A 75 12.535 -1.927 -10.509 1.00 0.00 C ATOM 1182 O THR A 75 13.488 -2.703 -10.405 1.00 0.00 O ATOM 1183 CB THR A 75 12.032 -0.700 -12.743 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.213 -0.692 -13.914 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.481 -0.657 -13.248 1.00 0.00 C ATOM 0 H THR A 75 9.830 -0.955 -11.684 1.00 0.00 H new ATOM 0 HA THR A 75 11.977 -2.857 -12.315 1.00 0.00 H new ATOM 0 HB THR A 75 11.851 0.159 -12.097 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.306 -0.405 -13.677 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.622 0.223 -13.875 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.161 -0.610 -12.398 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.690 -1.554 -13.830 1.00 0.00 H new ATOM 1193 N ILE A 76 12.192 -1.082 -9.519 1.00 0.00 N ATOM 1194 CA ILE A 76 12.853 -1.061 -8.177 1.00 0.00 C ATOM 1195 C ILE A 76 12.693 -2.381 -7.343 1.00 0.00 C ATOM 1196 O ILE A 76 13.655 -2.827 -6.713 1.00 0.00 O ATOM 1197 CB ILE A 76 12.483 0.251 -7.397 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.010 0.317 -6.890 1.00 0.00 C ATOM 1199 CG2 ILE A 76 12.934 1.516 -8.179 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.508 1.666 -6.350 1.00 0.00 C ATOM 0 H ILE A 76 11.449 -0.389 -9.615 1.00 0.00 H new ATOM 0 HA ILE A 76 13.928 -1.034 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 76 13.058 0.222 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.358 0.019 -7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.891 -0.427 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.664 2.408 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.014 1.490 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.440 1.538 -9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.470 1.567 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.120 1.968 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.578 2.420 -7.134 1.00 0.00 H new ATOM 1212 N VAL A 77 11.510 -3.024 -7.400 1.00 0.00 N ATOM 1213 CA VAL A 77 11.287 -4.406 -6.876 1.00 0.00 C ATOM 1214 C VAL A 77 11.958 -5.559 -7.681 1.00 0.00 C ATOM 1215 O VAL A 77 12.133 -6.636 -7.109 1.00 0.00 O ATOM 1216 CB VAL A 77 9.767 -4.725 -6.701 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.053 -3.719 -5.776 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.983 -4.970 -8.009 1.00 0.00 C ATOM 0 H VAL A 77 10.674 -2.607 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 77 11.790 -4.381 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 77 9.764 -5.694 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.000 -3.988 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.515 -3.741 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.138 -2.716 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.940 -5.182 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.039 -4.082 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.415 -5.819 -8.539 1.00 0.00 H new ATOM 1228 N CYS A 78 12.274 -5.372 -8.984 1.00 0.00 N ATOM 1229 CA CYS A 78 12.924 -6.413 -9.816 1.00 0.00 C ATOM 1230 C CYS A 78 14.268 -6.986 -9.268 1.00 0.00 C ATOM 1231 O CYS A 78 14.526 -8.177 -9.447 1.00 0.00 O ATOM 1232 CB CYS A 78 13.101 -5.893 -11.256 1.00 0.00 C ATOM 1233 SG CYS A 78 13.609 -7.249 -12.363 1.00 0.00 S ATOM 0 H CYS A 78 12.088 -4.503 -9.485 1.00 0.00 H new ATOM 0 HA CYS A 78 12.243 -7.264 -9.788 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.167 -5.457 -11.609 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.849 -5.101 -11.274 1.00 0.00 H new ATOM 0 HG CYS A 78 14.187 -8.183 -11.668 1.00 0.00 H new ATOM 1239 N THR A 79 15.077 -6.158 -8.576 1.00 0.00 N ATOM 1240 CA THR A 79 16.296 -6.601 -7.838 1.00 0.00 C ATOM 1241 C THR A 79 16.069 -7.027 -6.341 1.00 0.00 C ATOM 1242 O THR A 79 17.039 -7.100 -5.579 1.00 0.00 O ATOM 1243 CB THR A 79 17.355 -5.452 -7.933 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.900 -4.274 -7.268 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.749 -5.074 -9.367 1.00 0.00 C ATOM 0 H THR A 79 14.909 -5.154 -8.508 1.00 0.00 H new ATOM 0 HA THR A 79 16.640 -7.518 -8.316 1.00 0.00 H new ATOM 0 HB THR A 79 18.241 -5.857 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 17.282 -3.484 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.486 -4.271 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.176 -5.943 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.866 -4.739 -9.911 1.00 0.00 H new ATOM 1253 N MET A 80 14.819 -7.321 -5.923 1.00 0.00 N ATOM 1254 CA MET A 80 14.456 -7.621 -4.514 1.00 0.00 C ATOM 1255 C MET A 80 13.777 -9.014 -4.432 1.00 0.00 C ATOM 1256 O MET A 80 12.824 -9.292 -5.168 1.00 0.00 O ATOM 1257 CB MET A 80 13.538 -6.526 -3.913 1.00 0.00 C ATOM 1258 CG MET A 80 14.245 -5.218 -3.510 1.00 0.00 C ATOM 1259 SD MET A 80 13.030 -3.982 -2.993 1.00 0.00 S ATOM 1260 CE MET A 80 12.442 -4.658 -1.426 1.00 0.00 C ATOM 0 H MET A 80 14.022 -7.358 -6.559 1.00 0.00 H new ATOM 0 HA MET A 80 15.371 -7.633 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.760 -6.290 -4.639 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.040 -6.936 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.946 -5.411 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.827 -4.837 -4.350 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.376 -4.873 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.983 -5.577 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.612 -3.933 -0.630 1.00 0.00 H new ATOM 1270 N ARG A 81 14.272 -9.878 -3.525 1.00 0.00 N ATOM 1271 CA ARG A 81 13.751 -11.266 -3.337 1.00 0.00 C ATOM 1272 C ARG A 81 12.804 -11.359 -2.099 1.00 0.00 C ATOM 1273 O ARG A 81 12.583 -10.372 -1.395 1.00 0.00 O ATOM 1274 CB ARG A 81 14.972 -12.241 -3.325 1.00 0.00 C ATOM 1275 CG ARG A 81 15.742 -12.406 -1.986 1.00 0.00 C ATOM 1276 CD ARG A 81 17.228 -12.787 -2.115 1.00 0.00 C ATOM 1277 NE ARG A 81 18.080 -11.593 -2.325 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.421 -11.576 -2.192 1.00 0.00 C ATOM 1279 NH1 ARG A 81 20.150 -12.643 -1.870 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.054 -10.435 -2.392 1.00 0.00 N ATOM 0 H ARG A 81 15.042 -9.644 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 81 13.109 -11.567 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.620 -13.225 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.680 -11.903 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.672 -11.471 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.240 -13.169 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.550 -13.311 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.356 -13.478 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 81 17.619 -10.722 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.695 -13.541 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 81 21.163 -12.562 -1.785 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.528 -9.597 -2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.069 -10.392 -2.298 1.00 0.00 H new ATOM 1294 N GLU A 82 12.278 -12.567 -1.809 1.00 0.00 N ATOM 1295 CA GLU A 82 11.428 -12.841 -0.614 1.00 0.00 C ATOM 1296 C GLU A 82 12.212 -12.588 0.706 1.00 0.00 C ATOM 1297 O GLU A 82 13.137 -13.336 1.041 1.00 0.00 O ATOM 1298 CB GLU A 82 10.883 -14.300 -0.596 1.00 0.00 C ATOM 1299 CG GLU A 82 10.020 -14.778 -1.785 1.00 0.00 C ATOM 1300 CD GLU A 82 10.829 -15.359 -2.953 1.00 0.00 C ATOM 1301 OE1 GLU A 82 11.230 -16.542 -2.884 1.00 0.00 O ATOM 1302 OE2 GLU A 82 11.076 -14.634 -3.940 1.00 0.00 O ATOM 0 H GLU A 82 12.427 -13.389 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 82 10.585 -12.153 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.737 -14.972 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.293 -14.423 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.319 -15.534 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.427 -13.940 -2.150 1.00 0.00 H new ATOM 1309 N GLY A 83 11.853 -11.502 1.410 1.00 0.00 N ATOM 1310 CA GLY A 83 12.600 -11.067 2.616 1.00 0.00 C ATOM 1311 C GLY A 83 13.750 -10.037 2.448 1.00 0.00 C ATOM 1312 O GLY A 83 14.488 -9.851 3.417 1.00 0.00 O ATOM 0 H GLY A 83 11.058 -10.909 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.879 -10.647 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.019 -11.957 3.085 1.00 0.00 H new ATOM 1316 N GLU A 84 13.910 -9.367 1.284 1.00 0.00 N ATOM 1317 CA GLU A 84 14.944 -8.319 1.077 1.00 0.00 C ATOM 1318 C GLU A 84 14.360 -6.936 1.445 1.00 0.00 C ATOM 1319 O GLU A 84 13.237 -6.601 1.071 1.00 0.00 O ATOM 1320 CB GLU A 84 15.454 -8.351 -0.391 1.00 0.00 C ATOM 1321 CG GLU A 84 16.679 -7.440 -0.648 1.00 0.00 C ATOM 1322 CD GLU A 84 17.269 -7.482 -2.059 1.00 0.00 C ATOM 1323 OE1 GLU A 84 17.437 -8.584 -2.626 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.576 -6.402 -2.612 1.00 0.00 O ATOM 0 H GLU A 84 13.330 -9.535 0.462 1.00 0.00 H new ATOM 0 HA GLU A 84 15.798 -8.513 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.715 -9.377 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.643 -8.049 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.393 -6.412 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.463 -7.712 0.059 1.00 0.00 H new ATOM 1331 N ILE A 85 15.160 -6.136 2.158 1.00 0.00 N ATOM 1332 CA ILE A 85 14.760 -4.783 2.611 1.00 0.00 C ATOM 1333 C ILE A 85 15.789 -3.820 1.967 1.00 0.00 C ATOM 1334 O ILE A 85 16.979 -3.890 2.281 1.00 0.00 O ATOM 1335 CB ILE A 85 14.686 -4.671 4.175 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.804 -5.754 4.883 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.146 -3.282 4.583 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.544 -7.043 5.275 1.00 0.00 C ATOM 0 H ILE A 85 16.104 -6.400 2.441 1.00 0.00 H new ATOM 0 HA ILE A 85 13.747 -4.531 2.297 1.00 0.00 H new ATOM 0 HB ILE A 85 15.712 -4.832 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.369 -5.316 5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.977 -6.015 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.099 -3.215 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.810 -2.507 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.148 -3.143 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.848 -7.729 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.955 -7.513 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.354 -6.803 5.964 1.00 0.00 H new ATOM 1350 N ALA A 86 15.311 -2.934 1.076 1.00 0.00 N ATOM 1351 CA ALA A 86 16.175 -1.978 0.342 1.00 0.00 C ATOM 1352 C ALA A 86 15.519 -0.577 0.281 1.00 0.00 C ATOM 1353 O ALA A 86 14.346 -0.447 -0.090 1.00 0.00 O ATOM 1354 CB ALA A 86 16.466 -2.534 -1.067 1.00 0.00 C ATOM 0 H ALA A 86 14.321 -2.856 0.842 1.00 0.00 H new ATOM 0 HA ALA A 86 17.121 -1.862 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.101 -1.834 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.975 -3.494 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.528 -2.667 -1.606 1.00 0.00 H new ATOM 1360 N GLN A 87 16.299 0.464 0.638 1.00 0.00 N ATOM 1361 CA GLN A 87 15.833 1.877 0.620 1.00 0.00 C ATOM 1362 C GLN A 87 16.728 2.735 -0.288 1.00 0.00 C ATOM 1363 O GLN A 87 17.959 2.695 -0.170 1.00 0.00 O ATOM 1364 CB GLN A 87 15.635 2.461 2.032 1.00 0.00 C ATOM 1365 CG GLN A 87 16.862 2.898 2.861 1.00 0.00 C ATOM 1366 CD GLN A 87 17.610 4.204 2.508 1.00 0.00 C ATOM 1367 OE1 GLN A 87 18.833 4.278 2.631 1.00 0.00 O ATOM 1368 NE2 GLN A 87 16.926 5.244 2.056 1.00 0.00 N ATOM 0 H GLN A 87 17.265 0.356 0.946 1.00 0.00 H new ATOM 0 HA GLN A 87 14.835 1.893 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.982 3.328 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.095 1.718 2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.539 2.980 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.588 2.087 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.913 5.183 1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.412 6.106 1.810 1.00 0.00 H new ATOM 1377 N PHE A 88 16.104 3.496 -1.207 1.00 0.00 N ATOM 1378 CA PHE A 88 16.839 4.145 -2.319 1.00 0.00 C ATOM 1379 C PHE A 88 15.940 5.086 -3.172 1.00 0.00 C ATOM 1380 O PHE A 88 14.716 4.932 -3.241 1.00 0.00 O ATOM 1381 CB PHE A 88 17.576 3.101 -3.196 1.00 0.00 C ATOM 1382 CG PHE A 88 16.760 2.006 -3.896 1.00 0.00 C ATOM 1383 CD1 PHE A 88 16.251 2.236 -5.176 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.641 0.732 -3.324 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.671 1.197 -5.888 1.00 0.00 C ATOM 1386 CE2 PHE A 88 16.047 -0.302 -4.040 1.00 0.00 C ATOM 1387 CZ PHE A 88 15.571 -0.070 -5.324 1.00 0.00 C ATOM 0 H PHE A 88 15.100 3.678 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 88 17.593 4.784 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 88 18.123 3.646 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.317 2.607 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.309 3.223 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.011 0.553 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.295 1.373 -6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 88 15.956 -1.283 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.122 -0.876 -5.886 1.00 0.00 H new ATOM 1397 N LEU A 89 16.596 6.040 -3.861 1.00 0.00 N ATOM 1398 CA LEU A 89 15.910 7.075 -4.682 1.00 0.00 C ATOM 1399 C LEU A 89 15.587 6.626 -6.139 1.00 0.00 C ATOM 1400 O LEU A 89 16.276 5.782 -6.725 1.00 0.00 O ATOM 1401 CB LEU A 89 16.619 8.467 -4.610 1.00 0.00 C ATOM 1402 CG LEU A 89 18.157 8.588 -4.830 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.630 8.171 -6.237 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.620 10.029 -4.527 1.00 0.00 C ATOM 0 H LEU A 89 17.613 6.121 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 89 14.933 7.204 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 89 16.138 9.111 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.401 8.888 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 89 18.615 7.882 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.712 8.285 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.363 7.130 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.150 8.803 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.696 10.106 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.106 10.724 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.385 10.277 -3.492 1.00 0.00 H new ATOM 1416 N CYS A 90 14.535 7.245 -6.714 1.00 0.00 N ATOM 1417 CA CYS A 90 14.248 7.185 -8.169 1.00 0.00 C ATOM 1418 C CYS A 90 14.218 8.625 -8.740 1.00 0.00 C ATOM 1419 O CYS A 90 13.679 9.545 -8.112 1.00 0.00 O ATOM 1420 CB CYS A 90 12.886 6.520 -8.459 1.00 0.00 C ATOM 1421 SG CYS A 90 12.767 4.868 -7.702 1.00 0.00 S ATOM 0 H CYS A 90 13.860 7.800 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 90 15.031 6.589 -8.638 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.084 7.153 -8.079 1.00 0.00 H new ATOM 0 HB3 CYS A 90 12.744 6.437 -9.537 1.00 0.00 H new ATOM 0 HG CYS A 90 11.517 4.529 -7.595 1.00 0.00 H new ATOM 1427 N ASP A 91 14.734 8.802 -9.973 1.00 0.00 N ATOM 1428 CA ASP A 91 14.684 10.105 -10.690 1.00 0.00 C ATOM 1429 C ASP A 91 13.228 10.483 -11.102 1.00 0.00 C ATOM 1430 O ASP A 91 12.412 9.612 -11.418 1.00 0.00 O ATOM 1431 CB ASP A 91 15.663 10.035 -11.893 1.00 0.00 C ATOM 1432 CG ASP A 91 16.022 11.392 -12.517 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.974 12.043 -12.036 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.351 11.813 -13.485 1.00 0.00 O ATOM 0 H ASP A 91 15.193 8.059 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 91 15.004 10.910 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.582 9.548 -11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.223 9.402 -12.664 1.00 0.00 H new ATOM 1439 N ILE A 92 12.924 11.795 -11.089 1.00 0.00 N ATOM 1440 CA ILE A 92 11.596 12.352 -11.483 1.00 0.00 C ATOM 1441 C ILE A 92 11.059 12.020 -12.905 1.00 0.00 C ATOM 1442 O ILE A 92 9.842 11.946 -13.048 1.00 0.00 O ATOM 1443 CB ILE A 92 11.449 13.891 -11.188 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.753 14.740 -11.270 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.666 14.102 -9.877 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.563 16.263 -11.271 1.00 0.00 C ATOM 0 H ILE A 92 13.592 12.512 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 92 10.945 11.787 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 92 10.873 14.295 -12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.391 14.473 -10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.289 14.460 -12.176 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.568 15.169 -9.679 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.675 13.658 -9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.200 13.628 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.536 16.751 -11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.958 16.554 -12.130 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.060 16.568 -10.353 1.00 0.00 H new ATOM 1458 N LYS A 93 11.901 11.763 -13.921 1.00 0.00 N ATOM 1459 CA LYS A 93 11.456 11.080 -15.184 1.00 0.00 C ATOM 1460 C LYS A 93 10.657 9.729 -15.041 1.00 0.00 C ATOM 1461 O LYS A 93 9.857 9.393 -15.918 1.00 0.00 O ATOM 1462 CB LYS A 93 12.666 10.925 -16.152 1.00 0.00 C ATOM 1463 CG LYS A 93 13.702 9.833 -15.783 1.00 0.00 C ATOM 1464 CD LYS A 93 15.012 9.837 -16.600 1.00 0.00 C ATOM 1465 CE LYS A 93 14.897 9.426 -18.084 1.00 0.00 C ATOM 1466 NZ LYS A 93 14.563 8.001 -18.275 1.00 0.00 N ATOM 0 H LYS A 93 12.891 12.010 -13.909 1.00 0.00 H new ATOM 0 HA LYS A 93 10.701 11.750 -15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.282 10.710 -17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.183 11.883 -16.210 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.955 9.942 -14.728 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.229 8.858 -15.898 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.440 10.839 -16.555 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.720 9.166 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.133 10.038 -18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.840 9.641 -18.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.501 7.792 -19.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.303 7.410 -17.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.649 7.795 -17.823 1.00 0.00 H new ATOM 1480 N HIS A 94 10.896 8.980 -13.949 1.00 0.00 N ATOM 1481 CA HIS A 94 10.205 7.709 -13.617 1.00 0.00 C ATOM 1482 C HIS A 94 9.022 7.953 -12.623 1.00 0.00 C ATOM 1483 O HIS A 94 7.946 7.385 -12.834 1.00 0.00 O ATOM 1484 CB HIS A 94 11.217 6.673 -13.053 1.00 0.00 C ATOM 1485 CG HIS A 94 12.471 6.391 -13.887 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.499 5.694 -15.081 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.752 6.881 -13.587 1.00 0.00 C ATOM 1488 CE1 HIS A 94 13.825 5.834 -15.397 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.666 6.526 -14.563 1.00 0.00 N ATOM 0 H HIS A 94 11.592 9.244 -13.252 1.00 0.00 H new ATOM 0 HA HIS A 94 9.779 7.300 -14.533 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.536 7.015 -12.068 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.689 5.730 -12.908 1.00 0.00 H new ATOM 0 HD1 HIS A 94 11.750 5.215 -15.581 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.993 7.460 -12.708 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.210 5.398 -16.307 1.00 0.00 H new ATOM 1497 N VAL A 95 9.203 8.787 -11.566 1.00 0.00 N ATOM 1498 CA VAL A 95 8.111 9.168 -10.613 1.00 0.00 C ATOM 1499 C VAL A 95 7.298 10.451 -11.025 1.00 0.00 C ATOM 1500 O VAL A 95 6.679 11.093 -10.171 1.00 0.00 O ATOM 1501 CB VAL A 95 8.670 9.236 -9.150 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.270 7.895 -8.686 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.671 10.374 -8.858 1.00 0.00 C ATOM 0 H VAL A 95 10.102 9.215 -11.346 1.00 0.00 H new ATOM 0 HA VAL A 95 7.365 8.375 -10.660 1.00 0.00 H new ATOM 0 HB VAL A 95 7.777 9.467 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.643 7.996 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.501 7.123 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.091 7.616 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.989 10.321 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.540 10.270 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.193 11.336 -9.043 1.00 0.00 H new ATOM 1513 N VAL A 96 7.242 10.790 -12.332 1.00 0.00 N ATOM 1514 CA VAL A 96 6.425 11.916 -12.879 1.00 0.00 C ATOM 1515 C VAL A 96 4.882 11.685 -12.736 1.00 0.00 C ATOM 1516 O VAL A 96 4.156 12.605 -12.353 1.00 0.00 O ATOM 1517 CB VAL A 96 6.949 12.309 -14.322 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.976 12.171 -15.520 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.552 13.732 -14.347 1.00 0.00 C ATOM 0 H VAL A 96 7.765 10.290 -13.051 1.00 0.00 H new ATOM 0 HA VAL A 96 6.571 12.803 -12.263 1.00 0.00 H new ATOM 0 HB VAL A 96 7.701 11.537 -14.482 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.481 12.477 -16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.657 11.133 -15.612 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.105 12.806 -15.356 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.899 13.962 -15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.791 14.455 -14.051 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.391 13.784 -13.653 1.00 0.00 H new ATOM 1529 N LEU A 97 4.423 10.454 -13.037 1.00 0.00 N ATOM 1530 CA LEU A 97 3.048 9.975 -12.730 1.00 0.00 C ATOM 1531 C LEU A 97 2.864 9.186 -11.387 1.00 0.00 C ATOM 1532 O LEU A 97 1.802 8.593 -11.185 1.00 0.00 O ATOM 1533 CB LEU A 97 2.516 9.179 -13.960 1.00 0.00 C ATOM 1534 CG LEU A 97 3.280 7.866 -14.334 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.328 6.678 -14.561 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.208 8.043 -15.552 1.00 0.00 C ATOM 0 H LEU A 97 4.997 9.753 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 97 2.448 10.867 -12.551 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.473 8.924 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.533 9.841 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 97 3.905 7.640 -13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.908 5.791 -14.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.759 6.489 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.642 6.912 -15.375 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.712 7.100 -15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.618 8.344 -16.418 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.951 8.810 -15.335 1.00 0.00 H new ATOM 1548 N TYR A 98 3.821 9.239 -10.438 1.00 0.00 N ATOM 1549 CA TYR A 98 3.582 8.847 -9.024 1.00 0.00 C ATOM 1550 C TYR A 98 2.502 9.697 -8.268 1.00 0.00 C ATOM 1551 O TYR A 98 1.697 9.036 -7.615 1.00 0.00 O ATOM 1552 CB TYR A 98 4.924 8.781 -8.243 1.00 0.00 C ATOM 1553 CG TYR A 98 4.811 8.250 -6.794 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.335 6.957 -6.540 1.00 0.00 C ATOM 1555 CD2 TYR A 98 5.003 9.128 -5.721 1.00 0.00 C ATOM 1556 CE1 TYR A 98 3.999 6.572 -5.245 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.681 8.736 -4.426 1.00 0.00 C ATOM 1558 CZ TYR A 98 4.159 7.465 -4.190 1.00 0.00 C ATOM 1559 OH TYR A 98 3.778 7.103 -2.922 1.00 0.00 O ATOM 0 H TYR A 98 4.774 9.551 -10.622 1.00 0.00 H new ATOM 0 HA TYR A 98 3.143 7.850 -9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.617 8.145 -8.794 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.361 9.779 -8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.228 6.255 -7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.403 10.115 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.614 5.580 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.836 9.417 -3.602 1.00 0.00 H new ATOM 0 HH TYR A 98 3.875 6.134 -2.816 1.00 0.00 H new ATOM 1569 N PRO A 99 2.388 11.059 -8.277 1.00 0.00 N ATOM 1570 CA PRO A 99 1.192 11.757 -7.724 1.00 0.00 C ATOM 1571 C PRO A 99 -0.166 11.595 -8.485 1.00 0.00 C ATOM 1572 O PRO A 99 -1.198 12.021 -7.965 1.00 0.00 O ATOM 1573 CB PRO A 99 1.663 13.214 -7.710 1.00 0.00 C ATOM 1574 CG PRO A 99 2.654 13.341 -8.872 1.00 0.00 C ATOM 1575 CD PRO A 99 3.296 11.965 -9.003 1.00 0.00 C ATOM 0 HA PRO A 99 0.917 11.326 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.824 13.898 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.138 13.463 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.146 13.628 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.403 14.107 -8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.396 11.672 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.297 11.952 -8.572 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.181 10.980 -9.681 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.429 10.545 -10.363 1.00 0.00 C ATOM 1585 C LEU A 100 -1.895 9.135 -9.870 1.00 0.00 C ATOM 1586 O LEU A 100 -3.091 8.929 -9.647 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.269 10.607 -11.913 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.581 11.855 -12.550 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.608 11.781 -14.088 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.122 13.213 -12.064 1.00 0.00 C ATOM 0 H LEU A 100 0.666 10.767 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.220 11.244 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.706 9.726 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.263 10.519 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 100 0.450 11.812 -12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.122 12.664 -14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.080 10.887 -14.419 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.641 11.740 -14.432 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.583 14.019 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.184 13.287 -12.299 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.983 13.295 -10.986 1.00 0.00 H new ATOM 1602 N VAL A 101 -0.948 8.185 -9.696 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.219 6.789 -9.249 1.00 0.00 C ATOM 1604 C VAL A 101 -1.271 6.620 -7.701 1.00 0.00 C ATOM 1605 O VAL A 101 -2.033 5.775 -7.243 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.223 5.780 -9.908 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.529 4.304 -9.529 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.192 5.913 -11.448 1.00 0.00 C ATOM 0 H VAL A 101 0.042 8.364 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.225 6.555 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 101 0.757 6.043 -9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.193 3.647 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.460 4.184 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.535 4.045 -9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.514 5.192 -11.861 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.186 5.719 -11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.119 6.922 -11.720 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.512 7.383 -6.897 1.00 0.00 N ATOM 1619 CA ALA A 102 -0.806 7.572 -5.443 1.00 0.00 C ATOM 1620 C ALA A 102 -2.248 8.037 -5.079 1.00 0.00 C ATOM 1621 O ALA A 102 -2.781 7.622 -4.045 1.00 0.00 O ATOM 1622 CB ALA A 102 0.192 8.577 -4.843 1.00 0.00 C ATOM 0 H ALA A 102 0.315 7.886 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.709 6.572 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.023 8.714 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.207 8.197 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.100 9.533 -5.359 1.00 0.00 H new ATOM 1628 N LYS A 103 -2.878 8.846 -5.956 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.334 9.137 -5.903 1.00 0.00 C ATOM 1630 C LYS A 103 -5.270 8.017 -6.507 1.00 0.00 C ATOM 1631 O LYS A 103 -6.433 8.289 -6.816 1.00 0.00 O ATOM 1632 CB LYS A 103 -4.528 10.519 -6.606 1.00 0.00 C ATOM 1633 CG LYS A 103 -4.246 11.797 -5.779 1.00 0.00 C ATOM 1634 CD LYS A 103 -2.850 11.942 -5.130 1.00 0.00 C ATOM 1635 CE LYS A 103 -2.414 13.372 -4.748 1.00 0.00 C ATOM 1636 NZ LYS A 103 -2.037 14.207 -5.904 1.00 0.00 N ATOM 0 H LYS A 103 -2.396 9.317 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.650 9.162 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.884 10.541 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.557 10.571 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.405 12.658 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.992 11.854 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.826 11.326 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.110 11.532 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.228 13.859 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.569 13.313 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.258 14.842 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.731 13.596 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.856 14.773 -6.205 1.00 0.00 H new ATOM 1650 N SER A 104 -4.796 6.757 -6.617 1.00 0.00 N ATOM 1651 CA SER A 104 -5.590 5.581 -7.063 1.00 0.00 C ATOM 1652 C SER A 104 -5.184 4.273 -6.311 1.00 0.00 C ATOM 1653 O SER A 104 -6.071 3.519 -5.913 1.00 0.00 O ATOM 1654 CB SER A 104 -5.480 5.382 -8.595 1.00 0.00 C ATOM 1655 OG SER A 104 -6.065 6.471 -9.301 1.00 0.00 O ATOM 0 H SER A 104 -3.829 6.519 -6.394 1.00 0.00 H new ATOM 0 HA SER A 104 -6.630 5.791 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.432 5.284 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.975 4.453 -8.880 1.00 0.00 H new ATOM 0 HG SER A 104 -5.980 6.319 -10.265 1.00 0.00 H new ATOM 1661 N LEU A 105 -3.886 3.983 -6.064 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.440 2.913 -5.123 1.00 0.00 C ATOM 1663 C LEU A 105 -3.936 3.021 -3.639 1.00 0.00 C ATOM 1664 O LEU A 105 -3.950 2.007 -2.936 1.00 0.00 O ATOM 1665 CB LEU A 105 -1.901 2.726 -5.273 1.00 0.00 C ATOM 1666 CG LEU A 105 -0.945 3.669 -4.486 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -0.645 3.179 -3.054 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.373 3.888 -5.254 1.00 0.00 C ATOM 0 H LEU A 105 -3.114 4.480 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.952 1.999 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.664 1.702 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.660 2.822 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.474 4.618 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.027 3.882 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.575 3.111 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.174 2.197 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.022 4.551 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.872 2.930 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.159 4.339 -6.223 1.00 0.00 H new ATOM 2135 N ASP A 137 1.308 16.481 1.210 1.00 0.00 N ATOM 2136 CA ASP A 137 2.704 16.031 0.929 1.00 0.00 C ATOM 2137 C ASP A 137 2.842 15.282 -0.437 1.00 0.00 C ATOM 2138 O ASP A 137 3.745 15.605 -1.213 1.00 0.00 O ATOM 2139 CB ASP A 137 3.205 15.129 2.082 1.00 0.00 C ATOM 2140 CG ASP A 137 3.408 15.805 3.447 1.00 0.00 C ATOM 2141 OD1 ASP A 137 4.449 16.469 3.643 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.529 15.669 4.326 1.00 0.00 O ATOM 0 HA ASP A 137 3.320 16.927 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.494 14.312 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.152 14.683 1.779 1.00 0.00 H new ATOM 2147 N LEU A 138 1.961 14.303 -0.739 1.00 0.00 N ATOM 2148 CA LEU A 138 1.772 13.767 -2.116 1.00 0.00 C ATOM 2149 C LEU A 138 1.071 14.754 -3.112 1.00 0.00 C ATOM 2150 O LEU A 138 1.312 14.632 -4.317 1.00 0.00 O ATOM 2151 CB LEU A 138 1.115 12.351 -2.102 1.00 0.00 C ATOM 2152 CG LEU A 138 -0.118 12.070 -1.187 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.976 10.926 -1.756 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.246 11.707 0.272 1.00 0.00 C ATOM 0 H LEU A 138 1.361 13.860 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 138 2.778 13.655 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 138 0.818 12.122 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.891 11.637 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.669 13.010 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.829 10.750 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.332 11.198 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.375 10.019 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.666 11.527 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.862 10.808 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 138 0.799 12.530 0.725 1.00 0.00 H new ATOM 2166 N ASP A 139 0.270 15.738 -2.635 1.00 0.00 N ATOM 2167 CA ASP A 139 -0.149 16.905 -3.460 1.00 0.00 C ATOM 2168 C ASP A 139 0.887 18.087 -3.534 1.00 0.00 C ATOM 2169 O ASP A 139 0.746 18.933 -4.422 1.00 0.00 O ATOM 2170 CB ASP A 139 -1.550 17.367 -2.978 1.00 0.00 C ATOM 2171 CG ASP A 139 -2.356 18.169 -4.006 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -3.061 17.551 -4.835 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.288 19.418 -3.990 1.00 0.00 O ATOM 0 H ASP A 139 -0.100 15.750 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 139 -0.196 16.569 -4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.127 16.488 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.427 17.974 -2.081 1.00 0.00 H new ATOM 2178 N ALA A 140 1.943 18.145 -2.686 1.00 0.00 N ATOM 2179 CA ALA A 140 3.144 18.994 -2.937 1.00 0.00 C ATOM 2180 C ALA A 140 3.948 18.693 -4.239 1.00 0.00 C ATOM 2181 O ALA A 140 4.558 19.613 -4.780 1.00 0.00 O ATOM 2182 CB ALA A 140 4.107 18.929 -1.739 1.00 0.00 C ATOM 0 H ALA A 140 1.991 17.613 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 140 2.727 19.991 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.978 19.554 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.599 19.289 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.427 17.899 -1.585 1.00 0.00 H new ATOM 2188 N LEU A 141 3.938 17.446 -4.748 1.00 0.00 N ATOM 2189 CA LEU A 141 4.492 17.084 -6.087 1.00 0.00 C ATOM 2190 C LEU A 141 3.762 17.712 -7.313 1.00 0.00 C ATOM 2191 O LEU A 141 4.409 18.080 -8.296 1.00 0.00 O ATOM 2192 CB LEU A 141 4.511 15.538 -6.276 1.00 0.00 C ATOM 2193 CG LEU A 141 4.969 14.642 -5.096 1.00 0.00 C ATOM 2194 CD1 LEU A 141 4.741 13.155 -5.422 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.422 14.911 -4.665 1.00 0.00 C ATOM 0 H LEU A 141 3.545 16.650 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 141 5.497 17.506 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.503 15.228 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.157 15.318 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 141 4.350 14.906 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.069 12.544 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 141 3.681 12.981 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.312 12.886 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 141 6.683 14.253 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.091 14.721 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.522 15.950 -4.350 1.00 0.00 H new ATOM 2207 N GLN A 142 2.424 17.834 -7.235 1.00 0.00 N ATOM 2208 CA GLN A 142 1.587 18.590 -8.212 1.00 0.00 C ATOM 2209 C GLN A 142 1.979 20.084 -8.456 1.00 0.00 C ATOM 2210 O GLN A 142 1.910 20.552 -9.596 1.00 0.00 O ATOM 2211 CB GLN A 142 0.102 18.493 -7.756 1.00 0.00 C ATOM 2212 CG GLN A 142 -0.513 17.079 -7.657 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.750 16.383 -9.008 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -1.825 16.479 -9.600 1.00 0.00 O ATOM 2215 NE2 GLN A 142 0.243 15.669 -9.516 1.00 0.00 N ATOM 0 H GLN A 142 1.878 17.409 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 142 1.761 18.118 -9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 142 0.017 18.968 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -0.503 19.077 -8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.144 16.454 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -1.463 17.148 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.129 15.598 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.122 15.190 -10.408 1.00 0.00 H new ATOM 2224 N GLN A 143 2.398 20.800 -7.396 1.00 0.00 N ATOM 2225 CA GLN A 143 3.041 22.136 -7.497 1.00 0.00 C ATOM 2226 C GLN A 143 4.592 22.098 -7.686 1.00 0.00 C ATOM 2227 O GLN A 143 5.119 23.028 -8.303 1.00 0.00 O ATOM 2228 CB GLN A 143 2.625 23.036 -6.295 1.00 0.00 C ATOM 2229 CG GLN A 143 2.863 22.480 -4.869 1.00 0.00 C ATOM 2230 CD GLN A 143 2.543 23.482 -3.752 1.00 0.00 C ATOM 2231 OE1 GLN A 143 1.383 23.727 -3.421 1.00 0.00 O ATOM 2232 NE2 GLN A 143 3.560 24.073 -3.145 1.00 0.00 N ATOM 0 H GLN A 143 2.302 20.471 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 143 2.665 22.580 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 143 3.161 23.981 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.563 23.261 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.252 21.588 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.904 22.170 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.516 23.861 -3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.387 24.740 -2.393 1.00 0.00 H new ATOM 2241 N ASN A 144 5.325 21.090 -7.155 1.00 0.00 N ATOM 2242 CA ASN A 144 6.809 21.060 -7.200 1.00 0.00 C ATOM 2243 C ASN A 144 7.281 19.577 -7.137 1.00 0.00 C ATOM 2244 O ASN A 144 7.407 19.059 -6.026 1.00 0.00 O ATOM 2245 CB ASN A 144 7.531 21.963 -6.152 1.00 0.00 C ATOM 2246 CG ASN A 144 6.938 22.126 -4.737 1.00 0.00 C ATOM 2247 OD1 ASN A 144 6.305 23.134 -4.432 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.118 21.158 -3.857 1.00 0.00 N ATOM 0 H ASN A 144 4.911 20.283 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 144 7.107 21.511 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.545 21.579 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.615 22.960 -6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 144 6.731 21.244 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.644 20.324 -4.117 1.00 0.00 H new ATOM 2255 N PRO A 145 7.572 18.857 -8.258 1.00 0.00 N ATOM 2256 CA PRO A 145 8.082 17.462 -8.212 1.00 0.00 C ATOM 2257 C PRO A 145 9.620 17.396 -7.955 1.00 0.00 C ATOM 2258 O PRO A 145 10.392 18.189 -8.506 1.00 0.00 O ATOM 2259 CB PRO A 145 7.643 16.923 -9.587 1.00 0.00 C ATOM 2260 CG PRO A 145 7.607 18.136 -10.521 1.00 0.00 C ATOM 2261 CD PRO A 145 7.222 19.310 -9.619 1.00 0.00 C ATOM 0 HA PRO A 145 7.693 16.867 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.341 16.169 -9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 145 6.664 16.448 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 145 8.575 18.301 -10.993 1.00 0.00 H new ATOM 0 HG3 PRO A 145 6.881 17.997 -11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 145 7.767 20.214 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 145 6.160 19.542 -9.700 1.00 0.00 H new ATOM 2269 N GLN A 146 10.042 16.444 -7.101 1.00 0.00 N ATOM 2270 CA GLN A 146 11.476 16.233 -6.750 1.00 0.00 C ATOM 2271 C GLN A 146 11.754 14.713 -6.478 1.00 0.00 C ATOM 2272 O GLN A 146 10.844 14.026 -6.000 1.00 0.00 O ATOM 2273 CB GLN A 146 11.972 17.161 -5.598 1.00 0.00 C ATOM 2274 CG GLN A 146 11.235 17.131 -4.234 1.00 0.00 C ATOM 2275 CD GLN A 146 10.193 18.249 -4.047 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.514 19.437 -4.056 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.933 17.906 -3.852 1.00 0.00 N ATOM 0 H GLN A 146 9.408 15.797 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 146 12.071 16.530 -7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.019 16.921 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.940 18.187 -5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 146 10.738 16.167 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.973 17.202 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 146 8.668 16.921 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 146 8.225 18.626 -3.709 1.00 0.00 H new ATOM 2286 N PRO A 147 12.960 14.126 -6.763 1.00 0.00 N ATOM 2287 CA PRO A 147 13.187 12.652 -6.694 1.00 0.00 C ATOM 2288 C PRO A 147 13.173 12.091 -5.237 1.00 0.00 C ATOM 2289 O PRO A 147 13.879 12.592 -4.354 1.00 0.00 O ATOM 2290 CB PRO A 147 14.552 12.496 -7.390 1.00 0.00 C ATOM 2291 CG PRO A 147 15.264 13.838 -7.237 1.00 0.00 C ATOM 2292 CD PRO A 147 14.131 14.860 -7.288 1.00 0.00 C ATOM 0 HA PRO A 147 12.394 12.076 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.132 11.693 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.426 12.240 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.812 13.895 -6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 147 15.986 14.001 -8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 147 14.357 15.737 -6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 147 13.958 15.213 -8.305 1.00 0.00 H new ATOM 2300 N LEU A 148 12.319 11.082 -5.012 1.00 0.00 N ATOM 2301 CA LEU A 148 11.900 10.653 -3.641 1.00 0.00 C ATOM 2302 C LEU A 148 12.597 9.326 -3.209 1.00 0.00 C ATOM 2303 O LEU A 148 13.012 8.526 -4.049 1.00 0.00 O ATOM 2304 CB LEU A 148 10.352 10.470 -3.577 1.00 0.00 C ATOM 2305 CG LEU A 148 9.449 11.610 -4.126 1.00 0.00 C ATOM 2306 CD1 LEU A 148 8.032 11.100 -4.443 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.439 12.835 -3.193 1.00 0.00 C ATOM 0 H LEU A 148 11.894 10.534 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 148 12.206 11.439 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.103 9.558 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 148 10.080 10.304 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 148 9.882 11.947 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.426 11.922 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.088 10.312 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.576 10.705 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.796 13.608 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 148 9.061 12.543 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.453 13.223 -3.090 1.00 0.00 H new ATOM 2319 N ILE A 149 12.653 9.085 -1.885 1.00 0.00 N ATOM 2320 CA ILE A 149 13.211 7.837 -1.277 1.00 0.00 C ATOM 2321 C ILE A 149 12.040 6.837 -1.080 1.00 0.00 C ATOM 2322 O ILE A 149 11.136 7.079 -0.282 1.00 0.00 O ATOM 2323 CB ILE A 149 14.011 8.128 0.043 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.301 8.980 -0.180 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.356 6.846 0.846 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.514 8.273 -0.806 1.00 0.00 C ATOM 0 H ILE A 149 12.312 9.750 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 149 13.947 7.390 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 149 13.321 8.725 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 149 15.040 9.827 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.608 9.386 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.908 7.118 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.436 6.333 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.967 6.185 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.337 8.981 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.821 7.444 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.245 7.892 -1.791 1.00 0.00 H new ATOM 2338 N PHE A 150 12.137 5.689 -1.759 1.00 0.00 N ATOM 2339 CA PHE A 150 11.149 4.590 -1.686 1.00 0.00 C ATOM 2340 C PHE A 150 11.812 3.453 -0.865 1.00 0.00 C ATOM 2341 O PHE A 150 12.642 2.694 -1.383 1.00 0.00 O ATOM 2342 CB PHE A 150 10.797 4.128 -3.131 1.00 0.00 C ATOM 2343 CG PHE A 150 9.997 5.113 -4.003 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.635 6.212 -4.584 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.627 4.935 -4.212 1.00 0.00 C ATOM 2346 CE1 PHE A 150 9.906 7.143 -5.312 1.00 0.00 C ATOM 2347 CE2 PHE A 150 7.901 5.864 -4.955 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.537 6.965 -5.507 1.00 0.00 C ATOM 0 H PHE A 150 12.915 5.487 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 150 10.219 4.897 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.728 3.896 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.230 3.199 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.701 6.338 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.128 4.073 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.401 8.008 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.840 5.726 -5.101 1.00 0.00 H new ATOM 0 HZ PHE A 150 7.974 7.682 -6.086 1.00 0.00 H new ATOM 2358 N HIS A 151 11.434 3.346 0.423 1.00 0.00 N ATOM 2359 CA HIS A 151 11.876 2.242 1.307 1.00 0.00 C ATOM 2360 C HIS A 151 10.850 1.093 1.168 1.00 0.00 C ATOM 2361 O HIS A 151 9.825 1.063 1.854 1.00 0.00 O ATOM 2362 CB HIS A 151 12.078 2.771 2.755 1.00 0.00 C ATOM 2363 CG HIS A 151 12.581 1.795 3.840 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.481 2.165 4.825 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.226 0.438 4.026 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.616 0.979 5.492 1.00 0.00 C ATOM 2367 NE2 HIS A 151 12.903 -0.123 5.098 1.00 0.00 N ATOM 0 H HIS A 151 10.817 4.017 0.881 1.00 0.00 H new ATOM 0 HA HIS A 151 12.849 1.842 1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.781 3.602 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.125 3.178 3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.516 -0.094 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 151 14.288 0.910 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 151 12.878 -1.069 5.478 1.00 0.00 H new ATOM 2375 N MET A 152 11.201 0.116 0.321 1.00 0.00 N ATOM 2376 CA MET A 152 10.471 -1.167 0.225 1.00 0.00 C ATOM 2377 C MET A 152 11.013 -2.206 1.247 1.00 0.00 C ATOM 2378 O MET A 152 12.218 -2.283 1.515 1.00 0.00 O ATOM 2379 CB MET A 152 10.533 -1.728 -1.217 1.00 0.00 C ATOM 2380 CG MET A 152 9.481 -1.178 -2.189 1.00 0.00 C ATOM 2381 SD MET A 152 9.685 0.572 -2.554 1.00 0.00 S ATOM 2382 CE MET A 152 8.150 0.823 -3.472 1.00 0.00 C ATOM 0 H MET A 152 11.994 0.186 -0.316 1.00 0.00 H new ATOM 0 HA MET A 152 9.427 -0.974 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.522 -1.521 -1.626 1.00 0.00 H new ATOM 0 HB3 MET A 152 10.427 -2.812 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 152 9.528 -1.743 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 152 8.489 -1.340 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 152 8.049 1.877 -3.731 1.00 0.00 H new ATOM 0 HE2 MET A 152 8.169 0.225 -4.383 1.00 0.00 H new ATOM 0 HE3 MET A 152 7.304 0.518 -2.856 1.00 0.00 H new ATOM 2392 N GLU A 153 10.094 -3.032 1.778 1.00 0.00 N ATOM 2393 CA GLU A 153 10.425 -4.185 2.639 1.00 0.00 C ATOM 2394 C GLU A 153 9.682 -5.382 1.985 1.00 0.00 C ATOM 2395 O GLU A 153 8.473 -5.531 2.178 1.00 0.00 O ATOM 2396 CB GLU A 153 10.066 -3.825 4.120 1.00 0.00 C ATOM 2397 CG GLU A 153 9.431 -4.936 4.979 1.00 0.00 C ATOM 2398 CD GLU A 153 9.519 -4.688 6.485 1.00 0.00 C ATOM 2399 OE1 GLU A 153 10.544 -5.059 7.097 1.00 0.00 O ATOM 2400 OE2 GLU A 153 8.565 -4.117 7.060 1.00 0.00 O ATOM 0 H GLU A 153 9.093 -2.918 1.621 1.00 0.00 H new ATOM 0 HA GLU A 153 11.479 -4.457 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 153 10.977 -3.492 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.382 -2.976 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.383 -5.042 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 153 9.920 -5.883 4.748 1.00 0.00 H new ATOM 2407 N MET A 154 10.393 -6.250 1.237 1.00 0.00 N ATOM 2408 CA MET A 154 9.789 -7.469 0.645 1.00 0.00 C ATOM 2409 C MET A 154 9.528 -8.582 1.687 1.00 0.00 C ATOM 2410 O MET A 154 10.333 -8.831 2.588 1.00 0.00 O ATOM 2411 CB MET A 154 10.629 -7.962 -0.555 1.00 0.00 C ATOM 2412 CG MET A 154 9.867 -8.896 -1.523 1.00 0.00 C ATOM 2413 SD MET A 154 10.514 -8.704 -3.194 1.00 0.00 S ATOM 2414 CE MET A 154 9.798 -7.114 -3.672 1.00 0.00 C ATOM 0 H MET A 154 11.384 -6.133 1.027 1.00 0.00 H new ATOM 0 HA MET A 154 8.802 -7.195 0.271 1.00 0.00 H new ATOM 0 HB2 MET A 154 10.989 -7.097 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.507 -8.487 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.971 -9.932 -1.200 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.803 -8.662 -1.506 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.197 -7.242 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.168 -6.741 -2.865 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.597 -6.399 -3.868 1.00 0.00 H new ATOM 2424 N LEU A 155 8.368 -9.228 1.514 1.00 0.00 N ATOM 2425 CA LEU A 155 7.923 -10.387 2.330 1.00 0.00 C ATOM 2426 C LEU A 155 7.684 -11.634 1.425 1.00 0.00 C ATOM 2427 O LEU A 155 8.246 -12.695 1.710 1.00 0.00 O ATOM 2428 CB LEU A 155 6.735 -10.065 3.298 1.00 0.00 C ATOM 2429 CG LEU A 155 5.754 -8.901 2.945 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.300 -9.205 3.325 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.199 -7.571 3.581 1.00 0.00 C ATOM 0 H LEU A 155 7.695 -8.963 0.795 1.00 0.00 H new ATOM 0 HA LEU A 155 8.738 -10.634 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 155 6.142 -10.973 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.160 -9.849 4.278 1.00 0.00 H new ATOM 0 HG LEU A 155 5.793 -8.804 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.669 -8.359 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 155 3.963 -10.094 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.233 -9.379 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.493 -6.785 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.229 -7.678 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.191 -7.307 3.215 1.00 0.00 H new ATOM 2443 N LYS A 156 6.856 -11.521 0.365 1.00 0.00 N ATOM 2444 CA LYS A 156 6.526 -12.647 -0.551 1.00 0.00 C ATOM 2445 C LYS A 156 6.346 -12.129 -2.005 1.00 0.00 C ATOM 2446 O LYS A 156 6.007 -10.968 -2.242 1.00 0.00 O ATOM 2447 CB LYS A 156 5.342 -13.492 -0.009 1.00 0.00 C ATOM 2448 CG LYS A 156 3.977 -12.792 -0.022 1.00 0.00 C ATOM 2449 CD LYS A 156 2.849 -13.481 0.769 1.00 0.00 C ATOM 2450 CE LYS A 156 2.983 -13.341 2.299 1.00 0.00 C ATOM 2451 NZ LYS A 156 1.858 -13.980 3.005 1.00 0.00 N ATOM 0 H LYS A 156 6.394 -10.647 0.115 1.00 0.00 H new ATOM 0 HA LYS A 156 7.364 -13.343 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.269 -14.406 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.569 -13.791 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 156 4.106 -11.784 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 156 3.655 -12.690 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 156 1.892 -13.062 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 156 2.832 -14.540 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 156 3.920 -13.792 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 156 3.027 -12.285 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 1.982 -13.866 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 0.966 -13.533 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 1.831 -14.993 2.770 1.00 0.00 H new ATOM 2465 N VAL A 157 6.579 -13.013 -2.987 1.00 0.00 N ATOM 2466 CA VAL A 157 6.477 -12.679 -4.431 1.00 0.00 C ATOM 2467 C VAL A 157 6.272 -14.009 -5.230 1.00 0.00 C ATOM 2468 O VAL A 157 6.988 -14.998 -5.036 1.00 0.00 O ATOM 2469 CB VAL A 157 7.613 -11.723 -4.947 1.00 0.00 C ATOM 2470 CG1 VAL A 157 9.052 -12.105 -4.554 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.530 -11.463 -6.462 1.00 0.00 C ATOM 0 H VAL A 157 6.844 -13.982 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 157 5.599 -12.059 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 157 7.401 -10.799 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.748 -11.374 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 157 9.141 -12.119 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.287 -13.093 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.339 -10.797 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.620 -12.407 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.572 -11.001 -6.700 1.00 0.00 H new ATOM 2481 N GLU A 158 5.277 -13.986 -6.139 1.00 0.00 N ATOM 2482 CA GLU A 158 4.852 -15.159 -6.952 1.00 0.00 C ATOM 2483 C GLU A 158 4.935 -14.840 -8.469 1.00 0.00 C ATOM 2484 O GLU A 158 4.811 -13.694 -8.899 1.00 0.00 O ATOM 2485 CB GLU A 158 3.398 -15.574 -6.579 1.00 0.00 C ATOM 2486 CG GLU A 158 3.197 -16.327 -5.248 1.00 0.00 C ATOM 2487 CD GLU A 158 3.941 -17.657 -5.082 1.00 0.00 C ATOM 2488 OE1 GLU A 158 5.155 -17.641 -4.781 1.00 0.00 O ATOM 2489 OE2 GLU A 158 3.310 -18.726 -5.229 1.00 0.00 O ATOM 0 H GLU A 158 4.735 -13.145 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 158 5.528 -15.985 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.786 -14.672 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 158 3.009 -16.199 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 158 3.499 -15.666 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 158 2.131 -16.517 -5.124 1.00 0.00 H new ATOM 2496 N SER A 159 5.125 -15.894 -9.276 1.00 0.00 N ATOM 2497 CA SER A 159 5.356 -15.780 -10.746 1.00 0.00 C ATOM 2498 C SER A 159 4.091 -16.129 -11.611 1.00 0.00 C ATOM 2499 O SER A 159 3.155 -16.728 -11.070 1.00 0.00 O ATOM 2500 CB SER A 159 6.547 -16.720 -11.073 1.00 0.00 C ATOM 2501 OG SER A 159 7.761 -16.222 -10.520 1.00 0.00 O ATOM 0 H SER A 159 5.125 -16.857 -8.939 1.00 0.00 H new ATOM 0 HA SER A 159 5.576 -14.744 -11.003 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.346 -17.716 -10.679 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.650 -16.819 -12.154 1.00 0.00 H new ATOM 0 HG SER A 159 8.174 -15.594 -11.149 1.00 0.00 H new ATOM 2507 N PRO A 160 4.009 -15.812 -12.949 1.00 0.00 N ATOM 2508 CA PRO A 160 2.831 -16.137 -13.799 1.00 0.00 C ATOM 2509 C PRO A 160 2.652 -17.662 -14.046 1.00 0.00 C ATOM 2510 O PRO A 160 3.454 -18.293 -14.744 1.00 0.00 O ATOM 2511 CB PRO A 160 3.070 -15.322 -15.087 1.00 0.00 C ATOM 2512 CG PRO A 160 4.569 -15.028 -15.129 1.00 0.00 C ATOM 2513 CD PRO A 160 4.999 -14.980 -13.664 1.00 0.00 C ATOM 0 HA PRO A 160 1.889 -15.872 -13.320 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.758 -15.884 -15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.492 -14.398 -15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.109 -15.802 -15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.773 -14.083 -15.632 1.00 0.00 H new ATOM 0 HD2 PRO A 160 6.009 -15.370 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.002 -13.957 -13.286 1.00 0.00 H new ATOM 2521 N GLY A 161 1.614 -18.232 -13.413 1.00 0.00 N ATOM 2522 CA GLY A 161 1.488 -19.697 -13.255 1.00 0.00 C ATOM 2523 C GLY A 161 0.929 -20.085 -11.872 1.00 0.00 C ATOM 2524 O GLY A 161 -0.082 -20.789 -11.790 1.00 0.00 O ATOM 0 H GLY A 161 0.846 -17.702 -13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 161 0.834 -20.090 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.464 -20.162 -13.394 1.00 0.00 H new ATOM 2528 N THR A 162 1.617 -19.642 -10.805 1.00 0.00 N ATOM 2529 CA THR A 162 1.228 -19.914 -9.397 1.00 0.00 C ATOM 2530 C THR A 162 0.254 -18.881 -8.753 1.00 0.00 C ATOM 2531 O THR A 162 -0.524 -19.285 -7.884 1.00 0.00 O ATOM 2532 CB THR A 162 2.500 -20.202 -8.539 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.125 -20.583 -7.219 1.00 0.00 O ATOM 2534 CG2 THR A 162 3.553 -19.086 -8.452 1.00 0.00 C ATOM 0 H THR A 162 2.465 -19.081 -10.889 1.00 0.00 H new ATOM 0 HA THR A 162 0.613 -20.814 -9.418 1.00 0.00 H new ATOM 0 HB THR A 162 2.993 -21.008 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.524 -19.963 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 162 4.383 -19.416 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.921 -18.855 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.103 -18.194 -8.016 1.00 0.00 H new ATOM 2542 N TYR A 163 0.288 -17.585 -9.137 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.515 -16.529 -8.470 1.00 0.00 C ATOM 2544 C TYR A 163 -2.030 -16.632 -8.836 1.00 0.00 C ATOM 2545 O TYR A 163 -2.393 -16.528 -10.013 1.00 0.00 O ATOM 2546 CB TYR A 163 0.116 -15.122 -8.699 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.274 -14.323 -9.962 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.162 -14.723 -11.228 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.114 -13.209 -9.848 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.226 -14.010 -12.360 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.470 -12.476 -10.975 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.023 -12.875 -12.233 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.356 -12.148 -13.344 1.00 0.00 O ATOM 0 H TYR A 163 0.863 -17.242 -9.906 1.00 0.00 H new ATOM 0 HA TYR A 163 -0.483 -16.692 -7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.127 -14.507 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.199 -15.245 -8.709 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.802 -15.587 -11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.488 -12.917 -8.878 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.092 -14.338 -13.339 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.092 -11.599 -10.875 1.00 0.00 H new ATOM 0 HH TYR A 163 -1.397 -12.741 -14.123 1.00 0.00 H new