USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HD1:sc= -2.68! K(o=-5!,f=-6.5) USER MOD Set 1.2: A 148 CYS SG : rot 117:sc= -2.32! USER MOD Set 2.1: A 35 GLN : amide:sc= -2.43 K(o=-3.9,f=-8!) USER MOD Set 2.2: A 117 GLN : amide:sc= -1.52 X(o=-3.9,f=-3.9) USER MOD Set 3.1: A 86 ASN :FLIP amide:sc= -2.37 F(o=-11!,f=-2.4) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0.764 K(o=1.6,f=-5) USER MOD Set 4.2: A 94 LYS NZ :NH3+ 163:sc= 0.883 (180deg=-0.385) USER MOD Set 5.1: A 42 HIS :FLIP no HD1:sc= 0.593 F(o=-1.4,f=1.3) USER MOD Set 5.2: A 44 THR OG1 : rot -93:sc= 0.713 USER MOD Single : A 11 CYS SG : rot 31:sc= -2.26 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -1.25 (180deg=-2.3!) USER MOD Single : A 59 THR OG1 : rot 95:sc= -1.37! USER MOD Single : A 64 THR OG1 : rot 80:sc= -5.85! USER MOD Single : A 65 GLN : amide:sc= -1.2 K(o=-1.2,f=-7.6!) USER MOD Single : A 74 GLN : amide:sc= -1.42 K(o=-1.4,f=-4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -116:sc= -4.24! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 114 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.017) USER MOD Single : A 116 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-11!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -2.92 USER MOD Single : A 129 GLN : amide:sc= -7.25! C(o=-7.3!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -4.16! C(o=-6.1!,f=-4.2!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -152:sc= -0.566 (180deg=-3.04) USER MOD Single : A 137 LYS NZ :NH3+ 177:sc= -5.09! (180deg=-5.18!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.475 F(o=-3.5!,f=-0.48) USER MOD Single : A 145 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.67) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.635 -8.130 5.252 1.00 0.00 N ATOM 87 CA LEU A 8 6.361 -8.516 4.580 1.00 0.00 C ATOM 88 C LEU A 8 5.706 -7.275 3.973 1.00 0.00 C ATOM 89 O LEU A 8 5.659 -6.225 4.584 1.00 0.00 O ATOM 90 CB LEU A 8 5.401 -9.133 5.605 1.00 0.00 C ATOM 91 CG LEU A 8 6.192 -9.821 6.723 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.905 -8.766 7.563 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.227 -10.595 7.621 1.00 0.00 C ATOM 0 HA LEU A 8 6.578 -9.242 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.760 -8.358 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.748 -9.855 5.114 1.00 0.00 H new ATOM 0 HG LEU A 8 6.922 -10.502 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.468 -9.254 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.588 -8.198 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.169 -8.091 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.786 -11.086 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.503 -9.906 8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.703 -11.346 7.030 1.00 0.00 H new ATOM 105 N ARG A 9 5.181 -7.390 2.788 1.00 0.00 N ATOM 106 CA ARG A 9 4.510 -6.222 2.158 1.00 0.00 C ATOM 107 C ARG A 9 3.048 -6.199 2.607 1.00 0.00 C ATOM 108 O ARG A 9 2.389 -7.219 2.643 1.00 0.00 O ATOM 109 CB ARG A 9 4.583 -6.353 0.635 1.00 0.00 C ATOM 110 CG ARG A 9 4.076 -5.068 -0.016 1.00 0.00 C ATOM 111 CD ARG A 9 4.302 -5.141 -1.528 1.00 0.00 C ATOM 112 NE ARG A 9 3.952 -6.504 -2.019 1.00 0.00 N ATOM 113 CZ ARG A 9 4.141 -6.813 -3.274 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.602 -5.916 -4.102 1.00 0.00 N ATOM 115 NH2 ARG A 9 3.868 -8.015 -3.700 1.00 0.00 N ATOM 0 H ARG A 9 5.187 -8.242 2.228 1.00 0.00 H new ATOM 0 HA ARG A 9 5.003 -5.298 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.610 -6.548 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.984 -7.201 0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.016 -4.932 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.598 -4.206 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.692 -4.393 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.342 -4.915 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 9 3.565 -7.195 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.814 -4.976 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.750 -6.155 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.506 -8.716 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.016 -8.255 -4.680 1.00 0.00 H new ATOM 129 N ALA A 10 2.535 -5.054 2.962 1.00 0.00 N ATOM 130 CA ALA A 10 1.119 -4.993 3.421 1.00 0.00 C ATOM 131 C ALA A 10 0.466 -3.701 2.936 1.00 0.00 C ATOM 132 O ALA A 10 1.132 -2.727 2.638 1.00 0.00 O ATOM 133 CB ALA A 10 1.076 -5.028 4.946 1.00 0.00 C ATOM 0 H ALA A 10 3.031 -4.163 2.955 1.00 0.00 H new ATOM 0 HA ALA A 10 0.579 -5.847 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.040 -4.983 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.533 -5.951 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.624 -4.174 5.345 1.00 0.00 H new ATOM 139 N CYS A 11 -0.832 -3.683 2.866 1.00 0.00 N ATOM 140 CA CYS A 11 -1.539 -2.456 2.416 1.00 0.00 C ATOM 141 C CYS A 11 -2.860 -2.330 3.172 1.00 0.00 C ATOM 142 O CYS A 11 -3.687 -3.221 3.157 1.00 0.00 O ATOM 143 CB CYS A 11 -1.813 -2.553 0.913 1.00 0.00 C ATOM 144 SG CYS A 11 -0.508 -1.688 0.010 1.00 0.00 S ATOM 0 H CYS A 11 -1.437 -4.469 3.102 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.922 -1.580 2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.852 -3.598 0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.784 -2.115 0.680 1.00 0.00 H new ATOM 0 HG CYS A 11 0.604 -1.762 0.679 1.00 0.00 H new ATOM 150 N GLY A 12 -3.066 -1.222 3.824 1.00 0.00 N ATOM 151 CA GLY A 12 -4.337 -1.016 4.577 1.00 0.00 C ATOM 152 C GLY A 12 -4.976 0.283 4.097 1.00 0.00 C ATOM 153 O GLY A 12 -4.426 0.976 3.262 1.00 0.00 O ATOM 0 H GLY A 12 -2.407 -0.445 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.014 -1.854 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.140 -0.969 5.648 1.00 0.00 H new ATOM 157 N LEU A 13 -6.132 0.626 4.593 1.00 0.00 N ATOM 158 CA LEU A 13 -6.778 1.883 4.122 1.00 0.00 C ATOM 159 C LEU A 13 -7.100 2.814 5.287 1.00 0.00 C ATOM 160 O LEU A 13 -7.920 2.509 6.130 1.00 0.00 O ATOM 161 CB LEU A 13 -8.093 1.540 3.413 1.00 0.00 C ATOM 162 CG LEU A 13 -7.971 1.805 1.912 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.336 1.640 1.243 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.471 3.230 1.673 1.00 0.00 C ATOM 0 H LEU A 13 -6.652 0.099 5.295 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.083 2.383 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.345 0.494 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.905 2.136 3.830 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.264 1.092 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.243 1.830 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.698 0.624 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.042 2.348 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.387 3.411 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.175 3.940 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.494 3.356 2.140 1.00 0.00 H new ATOM 176 N ILE A 14 -6.518 3.984 5.303 1.00 0.00 N ATOM 177 CA ILE A 14 -6.869 4.954 6.372 1.00 0.00 C ATOM 178 C ILE A 14 -8.124 5.663 5.889 1.00 0.00 C ATOM 179 O ILE A 14 -8.081 6.557 5.066 1.00 0.00 O ATOM 180 CB ILE A 14 -5.733 5.950 6.603 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.588 5.230 7.316 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.228 7.107 7.474 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.375 6.154 7.413 1.00 0.00 C ATOM 0 H ILE A 14 -5.823 4.304 4.629 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.035 4.453 7.326 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.390 6.346 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.904 4.924 8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.323 4.323 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.415 7.814 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.054 7.612 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.569 6.720 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.562 5.636 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.053 6.438 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.643 7.049 7.975 1.00 0.00 H new ATOM 195 N ILE A 15 -9.245 5.219 6.358 1.00 0.00 N ATOM 196 CA ILE A 15 -10.536 5.788 5.905 1.00 0.00 C ATOM 197 C ILE A 15 -10.919 6.994 6.753 1.00 0.00 C ATOM 198 O ILE A 15 -10.785 6.987 7.958 1.00 0.00 O ATOM 199 CB ILE A 15 -11.578 4.684 6.046 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.190 3.526 5.120 1.00 0.00 C ATOM 201 CG2 ILE A 15 -12.972 5.199 5.684 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.950 2.261 5.526 1.00 0.00 C ATOM 0 H ILE A 15 -9.325 4.473 7.049 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.467 6.130 4.872 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.606 4.345 7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.419 3.783 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.116 3.349 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.697 4.393 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.240 6.020 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.973 5.552 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.671 1.441 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.699 2.000 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.022 2.440 5.449 1.00 0.00 H new ATOM 214 N PHE A 16 -11.401 8.028 6.121 1.00 0.00 N ATOM 215 CA PHE A 16 -11.804 9.240 6.873 1.00 0.00 C ATOM 216 C PHE A 16 -13.160 9.728 6.366 1.00 0.00 C ATOM 217 O PHE A 16 -13.314 10.048 5.206 1.00 0.00 O ATOM 218 CB PHE A 16 -10.764 10.338 6.661 1.00 0.00 C ATOM 219 CG PHE A 16 -10.789 10.795 5.220 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.031 10.118 4.259 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.567 11.898 4.847 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.049 10.540 2.926 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.587 12.321 3.512 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.827 11.641 2.551 1.00 0.00 C ATOM 0 H PHE A 16 -11.532 8.082 5.111 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.875 9.001 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.970 11.179 7.323 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.772 9.966 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.431 9.268 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.151 12.422 5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.462 10.016 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.188 13.171 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.842 11.967 1.521 1.00 0.00 H new ATOM 234 N ARG A 17 -14.138 9.810 7.224 1.00 0.00 N ATOM 235 CA ARG A 17 -15.468 10.301 6.773 1.00 0.00 C ATOM 236 C ARG A 17 -15.462 11.828 6.822 1.00 0.00 C ATOM 237 O ARG A 17 -15.281 12.423 7.867 1.00 0.00 O ATOM 238 CB ARG A 17 -16.559 9.757 7.696 1.00 0.00 C ATOM 239 CG ARG A 17 -17.922 10.272 7.229 1.00 0.00 C ATOM 240 CD ARG A 17 -19.014 9.735 8.151 1.00 0.00 C ATOM 241 NE ARG A 17 -20.333 10.286 7.729 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.605 11.548 7.926 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.724 12.323 8.497 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.757 12.036 7.554 1.00 0.00 N ATOM 0 H ARG A 17 -14.075 9.560 8.211 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.668 9.961 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.547 8.667 7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.372 10.070 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.931 11.362 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.110 9.956 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.034 8.646 8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.804 10.015 9.183 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.022 9.678 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.824 11.943 8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.936 13.309 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.447 11.431 7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.967 13.022 7.709 1.00 0.00 H new ATOM 258 N ARG A 18 -15.640 12.471 5.702 1.00 0.00 N ATOM 259 CA ARG A 18 -15.620 13.959 5.691 1.00 0.00 C ATOM 260 C ARG A 18 -17.043 14.509 5.767 1.00 0.00 C ATOM 261 O ARG A 18 -17.963 13.973 5.184 1.00 0.00 O ATOM 262 CB ARG A 18 -14.955 14.449 4.407 1.00 0.00 C ATOM 263 CG ARG A 18 -14.684 15.949 4.520 1.00 0.00 C ATOM 264 CD ARG A 18 -13.926 16.426 3.283 1.00 0.00 C ATOM 265 NE ARG A 18 -14.852 16.450 2.116 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.787 17.359 2.049 1.00 0.00 C ATOM 267 NH1 ARG A 18 -15.925 18.230 3.011 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.587 17.393 1.020 1.00 0.00 N ATOM 0 H ARG A 18 -15.798 12.031 4.796 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.058 14.311 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.022 13.911 4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.598 14.247 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.624 16.493 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.103 16.157 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.515 17.420 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.084 15.764 3.080 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.756 15.759 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.302 18.202 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.656 18.939 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.482 16.710 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.318 18.102 0.966 1.00 0.00 H new ATOM 434 N ILE A 29 -13.701 15.655 10.735 1.00 0.00 N ATOM 435 CA ILE A 29 -13.371 14.389 10.017 1.00 0.00 C ATOM 436 C ILE A 29 -13.223 13.232 11.004 1.00 0.00 C ATOM 437 O ILE A 29 -12.647 13.368 12.064 1.00 0.00 O ATOM 438 CB ILE A 29 -12.070 14.578 9.240 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.347 15.434 8.006 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.524 13.215 8.813 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.077 16.183 7.601 1.00 0.00 C ATOM 0 HA ILE A 29 -14.181 14.150 9.328 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.332 15.074 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.687 14.804 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.147 16.143 8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.596 13.352 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.332 12.607 9.697 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.254 12.713 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.279 16.792 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.756 16.826 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.289 15.466 7.373 1.00 0.00 H new ATOM 453 N GLU A 30 -13.733 12.086 10.647 1.00 0.00 N ATOM 454 CA GLU A 30 -13.624 10.900 11.539 1.00 0.00 C ATOM 455 C GLU A 30 -12.973 9.763 10.753 1.00 0.00 C ATOM 456 O GLU A 30 -13.050 9.722 9.543 1.00 0.00 O ATOM 457 CB GLU A 30 -15.022 10.474 11.996 1.00 0.00 C ATOM 458 CG GLU A 30 -15.708 11.646 12.701 1.00 0.00 C ATOM 459 CD GLU A 30 -17.071 11.199 13.235 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.671 11.955 13.979 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.490 10.107 12.889 1.00 0.00 O ATOM 0 H GLU A 30 -14.224 11.920 9.769 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.022 11.142 12.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.615 10.154 11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.951 9.621 12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.085 12.005 13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.833 12.478 12.008 1.00 0.00 H new ATOM 469 N PHE A 31 -12.327 8.846 11.419 1.00 0.00 N ATOM 470 CA PHE A 31 -11.667 7.730 10.683 1.00 0.00 C ATOM 471 C PHE A 31 -12.294 6.390 11.075 1.00 0.00 C ATOM 472 O PHE A 31 -12.788 6.221 12.172 1.00 0.00 O ATOM 473 CB PHE A 31 -10.175 7.698 11.028 1.00 0.00 C ATOM 474 CG PHE A 31 -9.523 9.008 10.649 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.052 9.213 9.344 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.380 10.019 11.607 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.441 10.425 9.002 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.769 11.230 11.262 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.300 11.432 9.961 1.00 0.00 C ATOM 0 H PHE A 31 -12.228 8.820 12.434 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.801 7.892 9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.045 7.514 12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.690 6.876 10.501 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.161 8.435 8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.741 9.864 12.613 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.078 10.582 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.660 12.009 12.002 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.828 12.367 9.696 1.00 0.00 H new ATOM 489 N LEU A 32 -12.257 5.430 10.189 1.00 0.00 N ATOM 490 CA LEU A 32 -12.828 4.092 10.511 1.00 0.00 C ATOM 491 C LEU A 32 -11.793 3.301 11.305 1.00 0.00 C ATOM 492 O LEU A 32 -10.658 3.155 10.895 1.00 0.00 O ATOM 493 CB LEU A 32 -13.168 3.338 9.221 1.00 0.00 C ATOM 494 CG LEU A 32 -13.591 1.906 9.559 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.790 1.932 10.502 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.980 1.179 8.274 1.00 0.00 C ATOM 0 H LEU A 32 -11.855 5.516 9.255 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.740 4.214 11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.971 3.849 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.304 3.325 8.557 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.761 1.389 10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.088 0.911 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.520 2.454 11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.620 2.449 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.282 0.159 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.809 1.702 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.127 1.157 7.596 1.00 0.00 H new ATOM 508 N LEU A 33 -12.175 2.793 12.441 1.00 0.00 N ATOM 509 CA LEU A 33 -11.215 2.016 13.269 1.00 0.00 C ATOM 510 C LEU A 33 -11.809 0.653 13.603 1.00 0.00 C ATOM 511 O LEU A 33 -12.930 0.542 14.056 1.00 0.00 O ATOM 512 CB LEU A 33 -10.922 2.785 14.558 1.00 0.00 C ATOM 513 CG LEU A 33 -9.810 3.797 14.292 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.777 4.829 15.417 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.463 3.070 14.229 1.00 0.00 C ATOM 0 H LEU A 33 -13.113 2.883 12.833 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.288 1.872 12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.821 3.296 14.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.623 2.096 15.348 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.998 4.300 13.344 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.983 5.551 15.226 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.735 5.347 15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.590 4.327 16.366 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.669 3.792 14.039 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.277 2.566 15.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.484 2.334 13.425 1.00 0.00 H new ATOM 527 N LEU A 34 -11.059 -0.386 13.378 1.00 0.00 N ATOM 528 CA LEU A 34 -11.565 -1.752 13.674 1.00 0.00 C ATOM 529 C LEU A 34 -10.885 -2.275 14.942 1.00 0.00 C ATOM 530 O LEU A 34 -9.716 -2.038 15.169 1.00 0.00 O ATOM 531 CB LEU A 34 -11.235 -2.671 12.496 1.00 0.00 C ATOM 532 CG LEU A 34 -11.718 -2.026 11.196 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.362 -2.926 10.016 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.235 -1.843 11.245 1.00 0.00 C ATOM 0 H LEU A 34 -10.112 -0.348 13.000 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.644 -1.727 13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.161 -2.849 12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.713 -3.641 12.633 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.236 -1.056 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.707 -2.465 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.281 -3.060 9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.844 -3.896 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.576 -1.383 10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.715 -2.814 11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.497 -1.201 12.086 1.00 0.00 H new ATOM 546 N GLN A 35 -11.607 -2.978 15.773 1.00 0.00 N ATOM 547 CA GLN A 35 -10.992 -3.509 17.022 1.00 0.00 C ATOM 548 C GLN A 35 -10.199 -4.776 16.702 1.00 0.00 C ATOM 549 O GLN A 35 -10.571 -5.547 15.843 1.00 0.00 O ATOM 550 CB GLN A 35 -12.091 -3.833 18.036 1.00 0.00 C ATOM 551 CG GLN A 35 -11.455 -4.204 19.377 1.00 0.00 C ATOM 552 CD GLN A 35 -12.546 -4.628 20.361 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.180 -5.650 20.181 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.791 -3.884 21.404 1.00 0.00 N ATOM 0 H GLN A 35 -12.592 -3.206 15.641 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.322 -2.760 17.443 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.751 -2.974 18.160 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.705 -4.657 17.672 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.739 -5.015 19.240 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.901 -3.354 19.776 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.259 -3.027 21.555 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.514 -4.159 22.068 1.00 0.00 H new ATOM 641 N HIS A 42 -5.913 -3.562 20.561 1.00 0.00 N ATOM 642 CA HIS A 42 -5.550 -2.214 20.043 1.00 0.00 C ATOM 643 C HIS A 42 -6.447 -1.873 18.851 1.00 0.00 C ATOM 644 O HIS A 42 -7.017 -2.743 18.223 1.00 0.00 O ATOM 645 CB HIS A 42 -4.085 -2.207 19.600 1.00 0.00 C ATOM 646 CG HIS A 42 -3.909 -3.130 18.425 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.075 -2.938 17.077 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -3.505 -4.449 18.575 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -3.782 -4.116 16.402 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -3.443 -4.996 17.347 1.00 0.00 N flip ATOM 0 HA HIS A 42 -5.689 -1.473 20.830 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.781 -1.196 19.330 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.444 -2.523 20.423 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.281 -4.946 19.507 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.820 -4.285 15.336 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.171 -5.961 17.162 1.00 0.00 H new ATOM 659 N TRP A 43 -6.579 -0.615 18.534 1.00 0.00 N ATOM 660 CA TRP A 43 -7.442 -0.222 17.386 1.00 0.00 C ATOM 661 C TRP A 43 -6.566 0.112 16.180 1.00 0.00 C ATOM 662 O TRP A 43 -5.596 0.836 16.288 1.00 0.00 O ATOM 663 CB TRP A 43 -8.256 1.013 17.765 1.00 0.00 C ATOM 664 CG TRP A 43 -9.129 0.701 18.937 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.734 0.747 20.230 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.529 0.307 18.949 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.804 0.403 21.035 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.935 0.124 20.292 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.478 0.095 17.936 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.235 -0.259 20.617 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.789 -0.292 18.258 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.168 -0.466 19.597 1.00 0.00 C ATOM 0 H TRP A 43 -6.126 0.158 19.021 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.111 -1.046 17.138 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.589 1.840 18.007 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.866 1.332 16.920 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.745 1.009 20.576 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.763 0.360 22.053 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.198 0.231 16.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.520 -0.395 21.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.509 -0.457 17.470 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.179 -0.759 19.840 1.00 0.00 H new ATOM 683 N THR A 44 -6.909 -0.399 15.031 1.00 0.00 N ATOM 684 CA THR A 44 -6.105 -0.104 13.814 1.00 0.00 C ATOM 685 C THR A 44 -6.993 -0.266 12.578 1.00 0.00 C ATOM 686 O THR A 44 -7.964 -0.998 12.595 1.00 0.00 O ATOM 687 CB THR A 44 -4.931 -1.083 13.726 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.231 -2.251 14.477 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.666 -0.425 14.283 1.00 0.00 C ATOM 0 H THR A 44 -7.713 -1.009 14.882 1.00 0.00 H new ATOM 0 HA THR A 44 -5.723 0.916 13.865 1.00 0.00 H new ATOM 0 HB THR A 44 -4.765 -1.354 12.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.883 -2.153 15.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.833 -1.125 14.218 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.435 0.468 13.703 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.828 -0.149 15.325 1.00 0.00 H new ATOM 697 N PRO A 45 -6.661 0.407 11.512 1.00 0.00 N ATOM 698 CA PRO A 45 -7.436 0.332 10.241 1.00 0.00 C ATOM 699 C PRO A 45 -7.352 -1.060 9.612 1.00 0.00 C ATOM 700 O PRO A 45 -6.452 -1.824 9.900 1.00 0.00 O ATOM 701 CB PRO A 45 -6.773 1.373 9.335 1.00 0.00 C ATOM 702 CG PRO A 45 -5.407 1.583 9.899 1.00 0.00 C ATOM 703 CD PRO A 45 -5.510 1.312 11.401 1.00 0.00 C ATOM 0 HA PRO A 45 -8.498 0.521 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.722 1.021 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.341 2.303 9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.687 0.911 9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.062 2.600 9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.601 0.853 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.668 2.232 11.964 1.00 0.00 H new ATOM 711 N PRO A 46 -8.286 -1.391 8.765 1.00 0.00 N ATOM 712 CA PRO A 46 -8.319 -2.716 8.086 1.00 0.00 C ATOM 713 C PRO A 46 -7.028 -2.990 7.312 1.00 0.00 C ATOM 714 O PRO A 46 -6.816 -2.469 6.234 1.00 0.00 O ATOM 715 CB PRO A 46 -9.522 -2.630 7.133 1.00 0.00 C ATOM 716 CG PRO A 46 -9.912 -1.187 7.075 1.00 0.00 C ATOM 717 CD PRO A 46 -9.405 -0.536 8.358 1.00 0.00 C ATOM 0 HA PRO A 46 -8.408 -3.534 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.260 -3.002 6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.349 -3.242 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.477 -0.705 6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.994 -1.083 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.082 0.491 8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.181 -0.501 9.123 1.00 0.00 H new ATOM 725 N LYS A 47 -6.159 -3.803 7.853 1.00 0.00 N ATOM 726 CA LYS A 47 -4.884 -4.102 7.144 1.00 0.00 C ATOM 727 C LYS A 47 -5.013 -5.423 6.388 1.00 0.00 C ATOM 728 O LYS A 47 -5.673 -6.343 6.829 1.00 0.00 O ATOM 729 CB LYS A 47 -3.739 -4.226 8.153 1.00 0.00 C ATOM 730 CG LYS A 47 -3.551 -2.906 8.903 1.00 0.00 C ATOM 731 CD LYS A 47 -2.254 -2.974 9.714 1.00 0.00 C ATOM 732 CE LYS A 47 -2.206 -1.819 10.714 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.252 -2.369 12.099 1.00 0.00 N ATOM 0 H LYS A 47 -6.278 -4.270 8.752 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.674 -3.291 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.953 -5.027 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.817 -4.494 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.511 -2.075 8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.399 -2.724 9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.194 -3.926 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.394 -2.925 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.296 -1.236 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.046 -1.144 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.887 -1.660 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.234 -2.605 12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.666 -3.227 12.151 1.00 0.00 H new ATOM 747 N GLY A 48 -4.375 -5.526 5.259 1.00 0.00 N ATOM 748 CA GLY A 48 -4.442 -6.789 4.473 1.00 0.00 C ATOM 749 C GLY A 48 -3.067 -7.077 3.875 1.00 0.00 C ATOM 750 O GLY A 48 -2.171 -6.260 3.942 1.00 0.00 O ATOM 0 H GLY A 48 -3.807 -4.788 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.754 -7.614 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.186 -6.700 3.681 1.00 0.00 H new ATOM 754 N HIS A 49 -2.889 -8.226 3.286 1.00 0.00 N ATOM 755 CA HIS A 49 -1.567 -8.554 2.681 1.00 0.00 C ATOM 756 C HIS A 49 -1.685 -8.485 1.159 1.00 0.00 C ATOM 757 O HIS A 49 -2.649 -8.947 0.581 1.00 0.00 O ATOM 758 CB HIS A 49 -1.146 -9.963 3.107 1.00 0.00 C ATOM 759 CG HIS A 49 -1.010 -10.008 4.605 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.650 -10.967 5.379 1.00 0.00 N ATOM 761 CD2 HIS A 49 -0.319 -9.214 5.488 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.334 -10.725 6.666 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.529 -9.670 6.784 1.00 0.00 N ATOM 0 H HIS A 49 -3.600 -8.952 3.197 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.816 -7.840 3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.885 -10.692 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.200 -10.231 2.636 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.250 -11.717 5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.293 -8.366 5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.689 -11.313 7.499 1.00 0.00 H new ATOM 772 N VAL A 50 -0.721 -7.897 0.503 1.00 0.00 N ATOM 773 CA VAL A 50 -0.794 -7.786 -0.980 1.00 0.00 C ATOM 774 C VAL A 50 -0.056 -8.957 -1.633 1.00 0.00 C ATOM 775 O VAL A 50 1.042 -9.314 -1.254 1.00 0.00 O ATOM 776 CB VAL A 50 -0.175 -6.454 -1.422 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.524 -5.792 -0.235 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.835 -6.691 -2.550 1.00 0.00 C ATOM 0 H VAL A 50 0.111 -7.490 0.930 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.837 -7.818 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.966 -5.799 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.963 -4.846 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.201 -5.608 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.310 -6.449 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.268 -5.739 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.626 -7.353 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.330 -7.150 -3.400 1.00 0.00 H new ATOM 788 N GLU A 51 -0.665 -9.551 -2.623 1.00 0.00 N ATOM 789 CA GLU A 51 -0.037 -10.700 -3.340 1.00 0.00 C ATOM 790 C GLU A 51 1.102 -10.163 -4.224 1.00 0.00 C ATOM 791 O GLU A 51 1.429 -8.995 -4.160 1.00 0.00 O ATOM 792 CB GLU A 51 -1.119 -11.376 -4.194 1.00 0.00 C ATOM 793 CG GLU A 51 -1.245 -12.864 -3.836 1.00 0.00 C ATOM 794 CD GLU A 51 -2.354 -13.050 -2.799 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.029 -13.275 -1.644 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.512 -12.969 -3.177 1.00 0.00 O ATOM 0 H GLU A 51 -1.586 -9.285 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 51 0.376 -11.428 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.076 -10.878 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.873 -11.271 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.468 -13.446 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.299 -13.235 -3.442 1.00 0.00 H new ATOM 804 N PRO A 52 1.722 -10.993 -5.029 1.00 0.00 N ATOM 805 CA PRO A 52 2.849 -10.552 -5.903 1.00 0.00 C ATOM 806 C PRO A 52 2.365 -9.698 -7.077 1.00 0.00 C ATOM 807 O PRO A 52 2.600 -8.506 -7.126 1.00 0.00 O ATOM 808 CB PRO A 52 3.464 -11.860 -6.406 1.00 0.00 C ATOM 809 CG PRO A 52 2.371 -12.874 -6.324 1.00 0.00 C ATOM 810 CD PRO A 52 1.425 -12.426 -5.206 1.00 0.00 C ATOM 0 HA PRO A 52 3.558 -9.925 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.826 -11.755 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.317 -12.153 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.840 -12.945 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.778 -13.863 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.382 -12.585 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.602 -12.985 -4.287 1.00 0.00 H new ATOM 818 N GLY A 53 1.679 -10.291 -8.015 1.00 0.00 N ATOM 819 CA GLY A 53 1.171 -9.506 -9.174 1.00 0.00 C ATOM 820 C GLY A 53 -0.068 -8.725 -8.733 1.00 0.00 C ATOM 821 O GLY A 53 -0.860 -8.288 -9.543 1.00 0.00 O ATOM 0 H GLY A 53 1.449 -11.285 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.940 -8.822 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.924 -10.171 -10.001 1.00 0.00 H new ATOM 825 N GLU A 54 -0.240 -8.557 -7.449 1.00 0.00 N ATOM 826 CA GLU A 54 -1.427 -7.814 -6.939 1.00 0.00 C ATOM 827 C GLU A 54 -1.065 -6.339 -6.755 1.00 0.00 C ATOM 828 O GLU A 54 0.076 -5.995 -6.524 1.00 0.00 O ATOM 829 CB GLU A 54 -1.853 -8.401 -5.592 1.00 0.00 C ATOM 830 CG GLU A 54 -3.197 -7.803 -5.181 1.00 0.00 C ATOM 831 CD GLU A 54 -3.572 -8.281 -3.778 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.669 -7.973 -3.342 1.00 0.00 O ATOM 833 OE2 GLU A 54 -2.757 -8.942 -3.161 1.00 0.00 O ATOM 0 H GLU A 54 0.394 -8.904 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.246 -7.903 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.932 -9.486 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.100 -8.186 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.142 -6.715 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.968 -8.096 -5.893 1.00 0.00 H new ATOM 841 N ASP A 55 -2.030 -5.467 -6.859 1.00 0.00 N ATOM 842 CA ASP A 55 -1.743 -4.015 -6.691 1.00 0.00 C ATOM 843 C ASP A 55 -1.605 -3.682 -5.212 1.00 0.00 C ATOM 844 O ASP A 55 -2.095 -4.384 -4.351 1.00 0.00 O ATOM 845 CB ASP A 55 -2.892 -3.189 -7.250 1.00 0.00 C ATOM 846 CG ASP A 55 -2.531 -1.704 -7.189 1.00 0.00 C ATOM 847 OD1 ASP A 55 -2.861 -1.076 -6.194 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.932 -1.219 -8.133 1.00 0.00 O ATOM 0 H ASP A 55 -3.004 -5.697 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.819 -3.785 -7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.097 -3.482 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.801 -3.377 -6.678 1.00 0.00 H new ATOM 854 N ASP A 56 -0.951 -2.598 -4.921 1.00 0.00 N ATOM 855 CA ASP A 56 -0.786 -2.187 -3.502 1.00 0.00 C ATOM 856 C ASP A 56 -2.102 -1.590 -2.988 1.00 0.00 C ATOM 857 O ASP A 56 -2.583 -1.944 -1.931 1.00 0.00 O ATOM 858 CB ASP A 56 0.329 -1.143 -3.404 1.00 0.00 C ATOM 859 CG ASP A 56 1.654 -1.771 -3.838 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.584 -1.026 -4.100 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.714 -2.987 -3.904 1.00 0.00 O ATOM 0 H ASP A 56 -0.522 -1.976 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.524 -3.054 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.096 -0.286 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.407 -0.773 -2.382 1.00 0.00 H new ATOM 867 N LEU A 57 -2.687 -0.683 -3.731 1.00 0.00 N ATOM 868 CA LEU A 57 -3.966 -0.059 -3.286 1.00 0.00 C ATOM 869 C LEU A 57 -5.117 -1.066 -3.376 1.00 0.00 C ATOM 870 O LEU A 57 -5.906 -1.190 -2.462 1.00 0.00 O ATOM 871 CB LEU A 57 -4.285 1.147 -4.174 1.00 0.00 C ATOM 872 CG LEU A 57 -5.651 1.724 -3.784 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.661 2.085 -2.298 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.935 2.985 -4.605 1.00 0.00 C ATOM 0 H LEU A 57 -2.332 -0.349 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.853 0.260 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.512 1.908 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.291 0.849 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.417 0.975 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.635 2.494 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.467 1.191 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.888 2.827 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.907 3.391 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.161 3.728 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.939 2.735 -5.666 1.00 0.00 H new ATOM 886 N GLU A 58 -5.227 -1.786 -4.463 1.00 0.00 N ATOM 887 CA GLU A 58 -6.344 -2.766 -4.580 1.00 0.00 C ATOM 888 C GLU A 58 -6.306 -3.691 -3.371 1.00 0.00 C ATOM 889 O GLU A 58 -7.328 -4.043 -2.814 1.00 0.00 O ATOM 890 CB GLU A 58 -6.192 -3.592 -5.863 1.00 0.00 C ATOM 891 CG GLU A 58 -6.510 -2.724 -7.088 1.00 0.00 C ATOM 892 CD GLU A 58 -5.355 -1.766 -7.377 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.099 -0.909 -6.550 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.747 -1.904 -8.425 1.00 0.00 O ATOM 0 H GLU A 58 -4.599 -1.738 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.295 -2.234 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.176 -3.981 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.861 -4.452 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.689 -3.360 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.425 -2.158 -6.913 1.00 0.00 H new ATOM 902 N THR A 59 -5.135 -4.065 -2.936 1.00 0.00 N ATOM 903 CA THR A 59 -5.049 -4.939 -1.741 1.00 0.00 C ATOM 904 C THR A 59 -5.728 -4.218 -0.585 1.00 0.00 C ATOM 905 O THR A 59 -6.495 -4.795 0.161 1.00 0.00 O ATOM 906 CB THR A 59 -3.580 -5.200 -1.402 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.957 -5.840 -2.506 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.485 -6.095 -0.165 1.00 0.00 C ATOM 0 H THR A 59 -4.242 -3.804 -3.355 1.00 0.00 H new ATOM 0 HA THR A 59 -5.538 -5.895 -1.929 1.00 0.00 H new ATOM 0 HB THR A 59 -3.078 -4.255 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.514 -5.169 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.437 -6.278 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.967 -5.602 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.983 -7.044 -0.363 1.00 0.00 H new ATOM 916 N ALA A 60 -5.475 -2.947 -0.451 1.00 0.00 N ATOM 917 CA ALA A 60 -6.129 -2.173 0.634 1.00 0.00 C ATOM 918 C ALA A 60 -7.626 -2.093 0.334 1.00 0.00 C ATOM 919 O ALA A 60 -8.452 -2.187 1.216 1.00 0.00 O ATOM 920 CB ALA A 60 -5.537 -0.763 0.686 1.00 0.00 C ATOM 0 H ALA A 60 -4.843 -2.412 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.966 -2.660 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.018 -0.196 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.466 -0.825 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.705 -0.263 -0.268 1.00 0.00 H new ATOM 926 N LEU A 61 -7.979 -1.926 -0.918 1.00 0.00 N ATOM 927 CA LEU A 61 -9.421 -1.846 -1.289 1.00 0.00 C ATOM 928 C LEU A 61 -10.122 -3.145 -0.909 1.00 0.00 C ATOM 929 O LEU A 61 -11.139 -3.147 -0.245 1.00 0.00 O ATOM 930 CB LEU A 61 -9.540 -1.668 -2.801 1.00 0.00 C ATOM 931 CG LEU A 61 -8.866 -0.371 -3.231 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.936 -0.265 -4.753 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.593 0.813 -2.596 1.00 0.00 C ATOM 0 H LEU A 61 -7.327 -1.842 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.878 -1.006 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.079 -2.513 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.590 -1.655 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.825 -0.364 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.457 0.659 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.422 -1.116 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.979 -0.263 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.112 1.742 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.633 0.818 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.553 0.725 -1.510 1.00 0.00 H new ATOM 945 N ARG A 62 -9.585 -4.250 -1.336 1.00 0.00 N ATOM 946 CA ARG A 62 -10.215 -5.557 -1.013 1.00 0.00 C ATOM 947 C ARG A 62 -10.192 -5.773 0.498 1.00 0.00 C ATOM 948 O ARG A 62 -11.170 -6.185 1.090 1.00 0.00 O ATOM 949 CB ARG A 62 -9.441 -6.671 -1.715 1.00 0.00 C ATOM 950 CG ARG A 62 -10.167 -8.002 -1.532 1.00 0.00 C ATOM 951 CD ARG A 62 -9.323 -9.127 -2.136 1.00 0.00 C ATOM 952 NE ARG A 62 -9.099 -8.852 -3.584 1.00 0.00 N ATOM 953 CZ ARG A 62 -10.086 -8.973 -4.429 1.00 0.00 C ATOM 954 NH1 ARG A 62 -11.267 -9.335 -4.006 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.892 -8.724 -5.697 1.00 0.00 N ATOM 0 H ARG A 62 -8.735 -4.305 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.250 -5.566 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.342 -6.444 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.432 -6.738 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.341 -8.191 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.144 -7.966 -2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.368 -9.200 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.829 -10.084 -2.010 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.176 -8.570 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.418 -9.523 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.038 -9.430 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.970 -8.436 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.662 -8.818 -6.359 1.00 0.00 H new ATOM 969 N ALA A 63 -9.087 -5.492 1.132 1.00 0.00 N ATOM 970 CA ALA A 63 -9.013 -5.677 2.608 1.00 0.00 C ATOM 971 C ALA A 63 -9.988 -4.711 3.280 1.00 0.00 C ATOM 972 O ALA A 63 -10.600 -5.025 4.283 1.00 0.00 O ATOM 973 CB ALA A 63 -7.591 -5.384 3.088 1.00 0.00 C ATOM 0 H ALA A 63 -8.235 -5.143 0.693 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.275 -6.703 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.536 -5.519 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.895 -6.067 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.327 -4.357 2.837 1.00 0.00 H new ATOM 979 N THR A 64 -10.136 -3.539 2.731 1.00 0.00 N ATOM 980 CA THR A 64 -11.070 -2.545 3.326 1.00 0.00 C ATOM 981 C THR A 64 -12.479 -3.136 3.373 1.00 0.00 C ATOM 982 O THR A 64 -13.176 -3.025 4.362 1.00 0.00 O ATOM 983 CB THR A 64 -11.070 -1.285 2.460 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.744 -0.788 2.358 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.962 -0.219 3.087 1.00 0.00 C ATOM 0 H THR A 64 -9.648 -3.225 1.892 1.00 0.00 H new ATOM 0 HA THR A 64 -10.752 -2.296 4.338 1.00 0.00 H new ATOM 0 HB THR A 64 -11.452 -1.531 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.251 -1.306 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.955 0.674 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.981 -0.598 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.588 0.030 4.080 1.00 0.00 H new ATOM 993 N GLN A 65 -12.904 -3.762 2.312 1.00 0.00 N ATOM 994 CA GLN A 65 -14.265 -4.360 2.294 1.00 0.00 C ATOM 995 C GLN A 65 -14.262 -5.706 3.020 1.00 0.00 C ATOM 996 O GLN A 65 -15.176 -6.024 3.751 1.00 0.00 O ATOM 997 CB GLN A 65 -14.724 -4.540 0.845 1.00 0.00 C ATOM 998 CG GLN A 65 -15.562 -5.813 0.720 1.00 0.00 C ATOM 999 CD GLN A 65 -16.290 -5.816 -0.626 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.186 -4.875 -1.388 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.028 -6.840 -0.954 1.00 0.00 N ATOM 0 H GLN A 65 -12.365 -3.885 1.455 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.957 -3.693 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.309 -3.676 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.859 -4.597 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.922 -6.692 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.283 -5.868 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.116 -7.630 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.517 -6.850 -1.849 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.248 -6.504 2.829 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.216 -7.824 3.520 1.00 0.00 C ATOM 1012 C GLU A 66 -13.142 -7.618 5.035 1.00 0.00 C ATOM 1013 O GLU A 66 -13.760 -8.336 5.796 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.991 -8.618 3.064 1.00 0.00 C ATOM 1015 CG GLU A 66 -12.155 -9.039 1.603 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.963 -9.907 1.191 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.007 -9.962 1.948 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.026 -10.502 0.129 1.00 0.00 O ATOM 0 H GLU A 66 -12.447 -6.302 2.230 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.124 -8.373 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.092 -8.012 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.864 -9.499 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.085 -9.593 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.217 -8.159 0.963 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.386 -6.652 5.482 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.270 -6.422 6.950 1.00 0.00 C ATOM 1028 C GLU A 67 -13.183 -5.277 7.390 1.00 0.00 C ATOM 1029 O GLU A 67 -13.241 -4.937 8.555 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.818 -6.080 7.294 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.917 -7.265 6.951 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.485 -6.960 7.398 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.246 -5.845 7.835 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.652 -7.845 7.295 1.00 0.00 O ATOM 0 H GLU A 67 -11.846 -6.015 4.897 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.573 -7.329 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.501 -5.197 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.732 -5.839 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.280 -8.167 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.942 -7.457 5.878 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.895 -4.672 6.479 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.793 -3.549 6.875 1.00 0.00 C ATOM 1044 C ALA A 68 -16.077 -3.589 6.045 1.00 0.00 C ATOM 1045 O ALA A 68 -17.093 -3.058 6.439 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.082 -2.217 6.640 1.00 0.00 C ATOM 0 H ALA A 68 -13.895 -4.904 5.486 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.043 -3.651 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.740 -1.397 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.171 -2.180 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.827 -2.122 5.584 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.042 -4.203 4.898 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.268 -4.265 4.055 1.00 0.00 C ATOM 1054 C GLY A 69 -17.329 -3.031 3.158 1.00 0.00 C ATOM 1055 O GLY A 69 -18.224 -2.884 2.349 1.00 0.00 O ATOM 0 H GLY A 69 -15.220 -4.664 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.260 -5.170 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.155 -4.313 4.687 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.382 -2.145 3.293 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.384 -0.925 2.451 1.00 0.00 C ATOM 1061 C ILE A 70 -15.284 -1.041 1.391 1.00 0.00 C ATOM 1062 O ILE A 70 -14.127 -1.238 1.700 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.112 0.299 3.322 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.913 0.211 4.624 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.556 1.542 2.558 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.283 1.118 5.686 1.00 0.00 C ATOM 0 H ILE A 70 -15.607 -2.217 3.952 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.355 -0.820 1.968 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.049 0.346 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.947 0.508 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.934 -0.819 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.369 2.428 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.995 1.616 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.621 1.472 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.858 1.051 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.257 0.801 5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.285 2.149 5.332 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.644 -0.920 0.141 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.635 -1.021 -0.954 1.00 0.00 C ATOM 1080 C GLU A 71 -14.514 0.319 -1.674 1.00 0.00 C ATOM 1081 O GLU A 71 -15.301 1.223 -1.466 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.064 -2.108 -1.945 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.306 -1.949 -3.267 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.702 -3.073 -4.223 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -14.217 -3.070 -5.343 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.484 -3.920 -3.821 1.00 0.00 O ATOM 0 H GLU A 71 -16.601 -0.754 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.666 -1.282 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.869 -3.093 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.137 -2.045 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.533 -0.981 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.231 -1.973 -3.087 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.533 0.453 -2.525 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.356 1.737 -3.267 1.00 0.00 C ATOM 1096 C ALA A 72 -14.688 2.142 -3.889 1.00 0.00 C ATOM 1097 O ALA A 72 -15.010 3.308 -3.981 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.301 1.571 -4.362 1.00 0.00 C ATOM 0 H ALA A 72 -12.846 -0.270 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.023 2.511 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.180 2.513 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.351 1.285 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.619 0.796 -5.060 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.478 1.188 -4.292 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.801 1.524 -4.876 1.00 0.00 C ATOM 1106 C GLY A 73 -17.677 2.095 -3.764 1.00 0.00 C ATOM 1107 O GLY A 73 -18.787 2.532 -3.990 1.00 0.00 O ATOM 0 H GLY A 73 -15.264 0.192 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.688 2.249 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.264 0.636 -5.307 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.174 2.083 -2.553 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.958 2.615 -1.405 1.00 0.00 C ATOM 1113 C GLN A 74 -17.205 3.773 -0.739 1.00 0.00 C ATOM 1114 O GLN A 74 -17.768 4.504 0.051 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.202 1.494 -0.391 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.098 0.424 -1.022 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.386 -0.673 0.001 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.568 -1.544 0.222 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.527 -0.672 0.638 1.00 0.00 N ATOM 0 H GLN A 74 -16.249 1.725 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.916 2.988 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.253 1.054 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.673 1.896 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.032 0.872 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.610 -0.002 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.214 0.059 0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.731 -1.402 1.320 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.950 3.973 -1.061 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.212 5.119 -0.450 1.00 0.00 C ATOM 1130 C LEU A 75 -14.531 5.929 -1.549 1.00 0.00 C ATOM 1131 O LEU A 75 -14.717 5.691 -2.728 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.130 4.681 0.563 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.969 3.159 0.622 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.704 2.751 -0.137 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.817 2.718 2.076 1.00 0.00 C ATOM 0 H LEU A 75 -15.412 3.400 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.953 5.709 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.177 5.134 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.390 5.055 1.553 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.846 2.691 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.588 1.668 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.785 3.068 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.836 3.226 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.702 1.635 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.937 3.193 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.703 3.011 2.640 1.00 0.00 H new ATOM 1147 N THR A 76 -13.736 6.883 -1.158 1.00 0.00 N ATOM 1148 CA THR A 76 -13.017 7.724 -2.152 1.00 0.00 C ATOM 1149 C THR A 76 -11.536 7.781 -1.771 1.00 0.00 C ATOM 1150 O THR A 76 -11.166 8.384 -0.784 1.00 0.00 O ATOM 1151 CB THR A 76 -13.607 9.136 -2.137 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.886 9.121 -2.755 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.678 10.092 -2.888 1.00 0.00 C ATOM 0 H THR A 76 -13.552 7.118 -0.183 1.00 0.00 H new ATOM 0 HA THR A 76 -13.123 7.299 -3.150 1.00 0.00 H new ATOM 0 HB THR A 76 -13.709 9.476 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.265 10.025 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.102 11.096 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.701 10.104 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.569 9.758 -3.920 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.686 7.166 -2.541 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.235 7.193 -2.209 1.00 0.00 C ATOM 1163 C ILE A 77 -8.670 8.555 -2.610 1.00 0.00 C ATOM 1164 O ILE A 77 -8.875 9.018 -3.714 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.510 6.098 -2.992 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.352 4.814 -2.983 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.147 5.828 -2.346 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.473 4.264 -1.560 1.00 0.00 C ATOM 0 H ILE A 77 -10.931 6.647 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.095 7.025 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.364 6.423 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.344 5.019 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.894 4.067 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.629 5.047 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.551 6.740 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.291 5.504 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.073 3.354 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.480 4.039 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.953 5.007 -0.922 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.971 9.208 -1.725 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.414 10.544 -2.069 1.00 0.00 C ATOM 1182 C ILE A 78 -6.033 10.385 -2.696 1.00 0.00 C ATOM 1183 O ILE A 78 -5.235 9.565 -2.287 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.326 11.411 -0.815 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.319 12.568 -0.946 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.907 11.970 -0.659 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.741 12.011 -1.063 1.00 0.00 C ATOM 0 H ILE A 78 -7.762 8.876 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.074 11.031 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.565 10.809 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.245 13.225 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.079 13.169 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.855 12.587 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.199 11.146 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.657 12.575 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.448 12.835 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.810 11.372 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.978 11.429 -0.173 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.760 11.165 -3.700 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.445 11.082 -4.391 1.00 0.00 C ATOM 1201 C GLU A 79 -3.535 12.222 -3.926 1.00 0.00 C ATOM 1202 O GLU A 79 -3.992 13.281 -3.544 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.671 11.186 -5.896 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.573 10.036 -6.346 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.773 10.105 -7.858 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.360 11.090 -8.445 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.334 9.169 -8.403 1.00 0.00 O ATOM 0 H GLU A 79 -6.399 11.865 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.966 10.132 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.131 12.143 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.718 11.145 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.126 9.081 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.536 10.095 -5.838 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.249 12.008 -3.958 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.298 13.069 -3.520 1.00 0.00 C ATOM 1217 C GLY A 80 -0.752 12.715 -2.138 1.00 0.00 C ATOM 1218 O GLY A 80 0.316 13.147 -1.752 1.00 0.00 O ATOM 0 H GLY A 80 -1.813 11.140 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.480 13.159 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.802 14.035 -3.489 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.473 11.923 -1.390 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.989 11.532 -0.037 1.00 0.00 C ATOM 1224 C PHE A 81 -0.565 10.067 -0.044 1.00 0.00 C ATOM 1225 O PHE A 81 -1.326 9.196 -0.418 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.109 11.710 0.988 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.626 11.196 2.322 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.654 9.821 2.594 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.145 12.088 3.281 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.198 9.342 3.826 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.690 11.610 4.514 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.717 10.237 4.788 1.00 0.00 C ATOM 0 H PHE A 81 -2.376 11.531 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.141 12.164 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.387 12.761 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.000 11.167 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.028 9.131 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.124 13.147 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.217 8.283 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.317 12.301 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.367 9.869 5.741 1.00 0.00 H new ATOM 1242 N LYS A 82 0.629 9.773 0.386 1.00 0.00 N ATOM 1243 CA LYS A 82 1.057 8.350 0.414 1.00 0.00 C ATOM 1244 C LYS A 82 2.203 8.175 1.408 1.00 0.00 C ATOM 1245 O LYS A 82 3.169 8.911 1.400 1.00 0.00 O ATOM 1246 CB LYS A 82 1.526 7.904 -0.961 1.00 0.00 C ATOM 1247 CG LYS A 82 1.270 6.403 -1.103 1.00 0.00 C ATOM 1248 CD LYS A 82 1.727 5.927 -2.482 1.00 0.00 C ATOM 1249 CE LYS A 82 3.251 5.853 -2.525 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.760 6.753 -3.597 1.00 0.00 N ATOM 0 H LYS A 82 1.319 10.448 0.715 1.00 0.00 H new ATOM 0 HA LYS A 82 0.204 7.742 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.994 8.453 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.587 8.120 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.805 5.859 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.209 6.192 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.300 4.948 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.365 6.610 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.668 6.145 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.571 4.828 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.798 6.704 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.372 6.454 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.466 7.730 -3.398 1.00 0.00 H new ATOM 1264 N ARG A 83 2.096 7.196 2.253 1.00 0.00 N ATOM 1265 CA ARG A 83 3.166 6.934 3.252 1.00 0.00 C ATOM 1266 C ARG A 83 2.987 5.524 3.801 1.00 0.00 C ATOM 1267 O ARG A 83 1.878 5.045 3.935 1.00 0.00 O ATOM 1268 CB ARG A 83 3.066 7.942 4.395 1.00 0.00 C ATOM 1269 CG ARG A 83 4.098 7.590 5.467 1.00 0.00 C ATOM 1270 CD ARG A 83 4.099 8.670 6.550 1.00 0.00 C ATOM 1271 NE ARG A 83 5.046 8.279 7.631 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.329 8.281 7.403 1.00 0.00 C ATOM 1273 NH1 ARG A 83 6.783 8.646 6.236 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.158 7.917 8.341 1.00 0.00 N ATOM 0 H ARG A 83 1.303 6.556 2.297 1.00 0.00 H new ATOM 0 HA ARG A 83 4.143 7.031 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.241 8.951 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.063 7.929 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.865 6.620 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.089 7.508 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.392 9.629 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.096 8.795 6.957 1.00 0.00 H new ATOM 0 HE ARG A 83 4.691 8.010 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.134 8.930 5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.787 8.648 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.802 7.631 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.162 7.918 8.163 1.00 0.00 H new ATOM 1288 N GLU A 84 4.053 4.851 4.125 1.00 0.00 N ATOM 1289 CA GLU A 84 3.899 3.477 4.667 1.00 0.00 C ATOM 1290 C GLU A 84 4.536 3.375 6.042 1.00 0.00 C ATOM 1291 O GLU A 84 5.553 3.980 6.319 1.00 0.00 O ATOM 1292 CB GLU A 84 4.546 2.455 3.736 1.00 0.00 C ATOM 1293 CG GLU A 84 5.975 2.874 3.389 1.00 0.00 C ATOM 1294 CD GLU A 84 5.961 4.207 2.638 1.00 0.00 C ATOM 1295 OE1 GLU A 84 5.062 4.401 1.835 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.845 5.012 2.881 1.00 0.00 O ATOM 0 H GLU A 84 5.012 5.188 4.039 1.00 0.00 H new ATOM 0 HA GLU A 84 2.833 3.265 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.554 1.475 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.957 2.361 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.567 2.966 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.449 2.107 2.777 1.00 0.00 H new ATOM 1304 N LEU A 85 3.952 2.598 6.906 1.00 0.00 N ATOM 1305 CA LEU A 85 4.533 2.445 8.258 1.00 0.00 C ATOM 1306 C LEU A 85 5.381 1.175 8.260 1.00 0.00 C ATOM 1307 O LEU A 85 4.883 0.086 8.047 1.00 0.00 O ATOM 1308 CB LEU A 85 3.411 2.327 9.295 1.00 0.00 C ATOM 1309 CG LEU A 85 2.375 3.434 9.060 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.495 3.587 10.302 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.079 4.759 8.773 1.00 0.00 C ATOM 0 H LEU A 85 3.100 2.065 6.732 1.00 0.00 H new ATOM 0 HA LEU A 85 5.145 3.310 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.936 1.349 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.822 2.407 10.301 1.00 0.00 H new ATOM 0 HG LEU A 85 1.757 3.163 8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.760 4.374 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.981 2.647 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.116 3.849 11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.335 5.538 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.705 5.030 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.700 4.656 7.883 1.00 0.00 H new ATOM 1323 N ASN A 86 6.661 1.302 8.479 1.00 0.00 N ATOM 1324 CA ASN A 86 7.536 0.099 8.466 1.00 0.00 C ATOM 1325 C ASN A 86 8.089 -0.153 9.867 1.00 0.00 C ATOM 1326 O ASN A 86 8.725 0.696 10.460 1.00 0.00 O ATOM 1327 CB ASN A 86 8.701 0.333 7.500 1.00 0.00 C ATOM 1328 CG ASN A 86 8.168 0.684 6.107 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.881 0.747 5.907 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.934 0.908 5.192 1.00 0.00 N flip ATOM 0 H ASN A 86 7.137 2.185 8.666 1.00 0.00 H new ATOM 0 HA ASN A 86 6.955 -0.766 8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.334 1.140 7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.323 -0.560 7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.941 0.859 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.570 1.145 4.269 1.00 0.00 H new ATOM 1337 N TYR A 87 7.854 -1.318 10.401 1.00 0.00 N ATOM 1338 CA TYR A 87 8.374 -1.632 11.757 1.00 0.00 C ATOM 1339 C TYR A 87 8.257 -3.127 12.006 1.00 0.00 C ATOM 1340 O TYR A 87 7.437 -3.803 11.418 1.00 0.00 O ATOM 1341 CB TYR A 87 7.570 -0.876 12.810 1.00 0.00 C ATOM 1342 CG TYR A 87 6.102 -1.203 12.660 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.558 -2.324 13.305 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.282 -0.384 11.874 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.195 -2.620 13.164 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.922 -0.682 11.734 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.378 -1.798 12.376 1.00 0.00 C ATOM 1348 OH TYR A 87 2.034 -2.087 12.237 1.00 0.00 O ATOM 0 H TYR A 87 7.323 -2.066 9.955 1.00 0.00 H new ATOM 0 HA TYR A 87 9.419 -1.329 11.821 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.913 -1.148 13.808 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.727 0.197 12.700 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.189 -2.958 13.910 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.700 0.478 11.375 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.775 -3.481 13.662 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.291 -0.048 11.128 1.00 0.00 H new ATOM 0 HH TYR A 87 1.613 -1.417 11.659 1.00 0.00 H new ATOM 1444 N PRO A 93 9.488 -7.352 10.209 1.00 0.00 N ATOM 1445 CA PRO A 93 9.244 -5.963 9.704 1.00 0.00 C ATOM 1446 C PRO A 93 8.106 -5.917 8.698 1.00 0.00 C ATOM 1447 O PRO A 93 8.097 -6.654 7.740 1.00 0.00 O ATOM 1448 CB PRO A 93 10.552 -5.599 9.014 1.00 0.00 C ATOM 1449 CG PRO A 93 11.121 -6.904 8.573 1.00 0.00 C ATOM 1450 CD PRO A 93 10.676 -7.943 9.592 1.00 0.00 C ATOM 0 HA PRO A 93 8.962 -5.283 10.508 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.382 -4.934 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.228 -5.081 9.694 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.766 -7.164 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.209 -6.854 8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.445 -8.896 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.454 -8.136 10.330 1.00 0.00 H new ATOM 1458 N LYS A 94 7.155 -5.054 8.898 1.00 0.00 N ATOM 1459 CA LYS A 94 6.020 -4.983 7.933 1.00 0.00 C ATOM 1460 C LYS A 94 5.891 -3.587 7.339 1.00 0.00 C ATOM 1461 O LYS A 94 5.727 -2.611 8.043 1.00 0.00 O ATOM 1462 CB LYS A 94 4.710 -5.331 8.643 1.00 0.00 C ATOM 1463 CG LYS A 94 4.671 -6.828 8.945 1.00 0.00 C ATOM 1464 CD LYS A 94 3.338 -7.191 9.601 1.00 0.00 C ATOM 1465 CE LYS A 94 2.237 -7.215 8.538 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.888 -8.627 8.215 1.00 0.00 N ATOM 0 H LYS A 94 7.110 -4.399 9.679 1.00 0.00 H new ATOM 0 HA LYS A 94 6.220 -5.696 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.624 -4.761 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.861 -5.054 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.800 -7.397 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.496 -7.097 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.412 -8.165 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.093 -6.466 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.356 -6.685 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.573 -6.698 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.970 -8.655 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.620 -9.033 7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.830 -9.180 9.094 1.00 0.00 H new ATOM 1480 N THR A 95 5.910 -3.495 6.039 1.00 0.00 N ATOM 1481 CA THR A 95 5.734 -2.172 5.396 1.00 0.00 C ATOM 1482 C THR A 95 4.247 -1.998 5.127 1.00 0.00 C ATOM 1483 O THR A 95 3.632 -2.802 4.454 1.00 0.00 O ATOM 1484 CB THR A 95 6.505 -2.108 4.076 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.889 -1.942 4.345 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.993 -0.926 3.248 1.00 0.00 C ATOM 0 H THR A 95 6.040 -4.278 5.399 1.00 0.00 H new ATOM 0 HA THR A 95 6.114 -1.383 6.045 1.00 0.00 H new ATOM 0 HB THR A 95 6.356 -3.032 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.384 -1.902 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.540 -0.877 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.930 -1.058 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.143 -0.000 3.804 1.00 0.00 H new ATOM 1494 N VAL A 96 3.656 -0.975 5.660 1.00 0.00 N ATOM 1495 CA VAL A 96 2.201 -0.780 5.445 1.00 0.00 C ATOM 1496 C VAL A 96 1.974 0.529 4.699 1.00 0.00 C ATOM 1497 O VAL A 96 2.323 1.585 5.172 1.00 0.00 O ATOM 1498 CB VAL A 96 1.508 -0.731 6.809 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.008 -0.677 6.615 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.875 -1.989 7.608 1.00 0.00 C ATOM 0 H VAL A 96 4.114 -0.266 6.234 1.00 0.00 H new ATOM 0 HA VAL A 96 1.792 -1.600 4.855 1.00 0.00 H new ATOM 0 HB VAL A 96 1.834 0.157 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.498 -0.642 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.270 0.214 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.337 -1.564 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.384 -1.959 8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.547 -2.874 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.955 -2.029 7.748 1.00 0.00 H new ATOM 1510 N ILE A 97 1.376 0.466 3.541 1.00 0.00 N ATOM 1511 CA ILE A 97 1.112 1.711 2.765 1.00 0.00 C ATOM 1512 C ILE A 97 -0.328 2.140 3.032 1.00 0.00 C ATOM 1513 O ILE A 97 -1.247 1.354 2.914 1.00 0.00 O ATOM 1514 CB ILE A 97 1.317 1.433 1.272 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.722 0.849 1.049 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.153 2.732 0.477 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.677 1.925 0.516 1.00 0.00 C ATOM 0 H ILE A 97 1.058 -0.396 3.098 1.00 0.00 H new ATOM 0 HA ILE A 97 1.795 2.505 3.066 1.00 0.00 H new ATOM 0 HB ILE A 97 0.573 0.714 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.107 0.446 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.669 0.020 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.300 2.530 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.151 3.132 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.891 3.460 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.666 1.492 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.300 2.309 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.745 2.740 1.236 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.533 3.369 3.423 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.919 3.818 3.731 1.00 0.00 C ATOM 1531 C TYR A 98 -2.367 4.936 2.794 1.00 0.00 C ATOM 1532 O TYR A 98 -1.673 5.909 2.579 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.973 4.355 5.158 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.971 3.219 6.150 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.046 2.324 6.196 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.900 3.072 7.038 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.047 1.281 7.130 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.903 2.031 7.974 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.979 1.135 8.020 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.986 0.108 8.940 1.00 0.00 O ATOM 0 H TYR A 98 0.193 4.075 3.541 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.579 2.959 3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.118 5.006 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.869 4.961 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.874 2.438 5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.070 3.762 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.875 0.588 7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.077 1.919 8.660 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.016 0.481 9.846 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.559 4.817 2.287 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.127 5.878 1.415 1.00 0.00 C ATOM 1552 C TRP A 99 -5.318 6.473 2.161 1.00 0.00 C ATOM 1553 O TRP A 99 -6.040 5.767 2.835 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.612 5.280 0.094 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.476 5.132 -0.862 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.997 6.120 -1.648 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.683 3.948 -1.155 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.956 5.618 -2.410 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.725 4.281 -2.142 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.702 2.628 -0.667 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.817 3.340 -2.626 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.788 1.677 -1.152 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.850 2.033 -2.131 1.00 0.00 C ATOM 0 H TRP A 99 -4.173 4.017 2.442 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.372 6.632 1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.071 4.308 0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.380 5.920 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.365 7.135 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.425 6.167 -3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.423 2.344 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.093 3.619 -3.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.808 0.667 -0.769 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.152 1.297 -2.503 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.542 7.748 2.063 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.702 8.322 2.792 1.00 0.00 C ATOM 1576 C LEU A 100 -7.970 7.970 2.020 1.00 0.00 C ATOM 1577 O LEU A 100 -8.024 8.088 0.813 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.556 9.839 2.887 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.074 10.218 2.849 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.919 11.696 3.201 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.292 9.373 3.857 1.00 0.00 C ATOM 0 H LEU A 100 -4.985 8.408 1.521 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.751 7.915 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.085 10.317 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.010 10.201 3.809 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.684 10.034 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.864 11.968 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.468 12.301 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.315 11.875 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.238 9.649 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.682 9.550 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.399 8.317 3.607 1.00 0.00 H new ATOM 1593 N ALA A 101 -8.987 7.520 2.700 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.238 7.139 1.986 1.00 0.00 C ATOM 1595 C ALA A 101 -11.452 7.711 2.715 1.00 0.00 C ATOM 1596 O ALA A 101 -11.422 7.947 3.902 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.346 5.615 1.937 1.00 0.00 C ATOM 0 H ALA A 101 -9.007 7.400 3.713 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.210 7.541 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.260 5.332 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.485 5.206 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.370 5.219 2.952 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.524 7.931 2.003 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.749 8.488 2.642 1.00 0.00 C ATOM 1605 C GLU A 102 -14.949 7.617 2.271 1.00 0.00 C ATOM 1606 O GLU A 102 -15.241 7.428 1.110 1.00 0.00 O ATOM 1607 CB GLU A 102 -13.972 9.911 2.120 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.187 10.537 2.804 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.501 11.882 2.146 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.732 12.294 1.293 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.505 12.475 2.504 1.00 0.00 O ATOM 0 H GLU A 102 -12.604 7.748 1.003 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.633 8.504 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.086 10.518 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.123 9.891 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.046 9.871 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.989 10.677 3.867 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.653 7.088 3.238 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.828 6.237 2.901 1.00 0.00 C ATOM 1621 C VAL A 103 -18.008 7.134 2.521 1.00 0.00 C ATOM 1622 O VAL A 103 -18.295 8.125 3.160 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.179 5.327 4.080 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.909 4.633 4.553 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.752 6.139 5.235 1.00 0.00 C ATOM 0 H VAL A 103 -15.467 7.207 4.234 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.588 5.598 2.051 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.924 4.599 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.143 3.980 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.493 4.040 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.181 5.381 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.995 5.473 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.016 6.873 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.655 6.653 4.906 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.656 6.805 1.443 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.790 7.630 0.940 1.00 0.00 C ATOM 1637 C LYS A 104 -20.924 7.729 1.964 1.00 0.00 C ATOM 1638 O LYS A 104 -21.505 8.781 2.149 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.330 6.958 -0.314 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.213 6.839 -1.347 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.705 5.996 -2.520 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.541 5.706 -3.465 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.940 6.033 -4.861 1.00 0.00 N ATOM 0 H LYS A 104 -18.445 5.983 0.877 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.428 8.639 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.722 5.970 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.158 7.537 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.915 7.828 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.332 6.380 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.133 5.062 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.497 6.523 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.670 6.295 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.254 4.657 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.147 5.835 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.759 5.453 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.193 7.040 -4.923 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.282 6.646 2.595 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.423 6.702 3.557 1.00 0.00 C ATOM 1659 C ASP A 105 -21.937 6.832 5.000 1.00 0.00 C ATOM 1660 O ASP A 105 -20.971 6.224 5.403 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.256 5.427 3.427 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.740 5.788 3.356 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.073 6.707 2.628 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.518 5.136 4.032 1.00 0.00 O ATOM 0 H ASP A 105 -20.841 5.732 2.490 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.023 7.580 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.962 4.878 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.071 4.772 4.278 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.636 7.604 5.785 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.260 7.759 7.217 1.00 0.00 C ATOM 1672 C TYR A 106 -22.508 6.433 7.927 1.00 0.00 C ATOM 1673 O TYR A 106 -21.699 5.963 8.704 1.00 0.00 O ATOM 1674 CB TYR A 106 -23.123 8.849 7.857 1.00 0.00 C ATOM 1675 CG TYR A 106 -23.036 8.748 9.362 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.789 8.697 9.997 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -24.209 8.702 10.123 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.717 8.604 11.393 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -24.136 8.611 11.519 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.890 8.561 12.155 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.818 8.472 13.530 1.00 0.00 O ATOM 0 H TYR A 106 -23.456 8.137 5.494 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.210 8.040 7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.787 9.832 7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.159 8.742 7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.883 8.729 9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.171 8.737 9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.755 8.565 11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -25.042 8.579 12.105 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.723 8.454 13.904 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.622 5.819 7.648 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.936 4.515 8.280 1.00 0.00 C ATOM 1693 C ASP A 107 -23.501 3.406 7.329 1.00 0.00 C ATOM 1694 O ASP A 107 -23.953 2.282 7.421 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.440 4.412 8.547 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.720 3.175 9.400 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -26.880 2.842 9.569 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -24.764 2.579 9.874 1.00 0.00 O ATOM 0 H ASP A 107 -24.332 6.169 7.004 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.410 4.423 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.792 5.308 9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.984 4.349 7.605 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.618 3.717 6.416 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.146 2.685 5.458 1.00 0.00 C ATOM 1706 C VAL A 108 -22.002 1.364 6.214 1.00 0.00 C ATOM 1707 O VAL A 108 -21.701 1.340 7.390 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.797 3.122 4.888 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.874 3.522 6.033 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.159 1.975 4.108 1.00 0.00 C ATOM 0 H VAL A 108 -22.206 4.642 6.296 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.852 2.560 4.637 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.951 3.968 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.910 3.835 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.320 4.347 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.731 2.671 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.198 2.298 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.007 1.124 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.815 1.683 3.288 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.243 0.268 5.561 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.149 -1.035 6.260 1.00 0.00 C ATOM 1722 C GLU A 109 -20.715 -1.305 6.694 1.00 0.00 C ATOM 1723 O GLU A 109 -19.763 -0.962 6.022 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.628 -2.159 5.341 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.452 -3.068 4.976 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.899 -4.087 3.930 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -21.395 -4.026 2.819 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -22.736 -4.913 4.255 1.00 0.00 O ATOM 0 H GLU A 109 -22.501 0.218 4.575 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.784 -0.998 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.407 -2.739 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.069 -1.739 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.625 -2.473 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.086 -3.581 5.865 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.576 -1.939 7.814 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.226 -2.284 8.338 1.00 0.00 C ATOM 1738 C ILE A 110 -19.129 -3.799 8.512 1.00 0.00 C ATOM 1739 O ILE A 110 -19.785 -4.377 9.357 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.004 -1.594 9.686 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.904 -0.080 9.470 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.715 -2.117 10.333 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.704 0.244 8.576 1.00 0.00 C ATOM 0 H ILE A 110 -21.352 -2.241 8.403 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.463 -1.947 7.636 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.843 -1.810 10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.820 0.291 9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.800 0.426 10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.563 -1.622 11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.797 -3.193 10.489 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.869 -1.908 9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.641 1.322 8.428 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.790 -0.111 9.051 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.826 -0.248 7.611 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.314 -4.447 7.728 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.172 -5.925 7.856 1.00 0.00 C ATOM 1757 C ARG A 111 -16.836 -6.245 8.505 1.00 0.00 C ATOM 1758 O ARG A 111 -15.782 -5.994 7.951 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.250 -6.567 6.472 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.677 -6.423 5.957 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.778 -6.930 4.518 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.118 -6.572 3.968 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.440 -6.905 2.746 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.595 -7.562 1.998 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.612 -6.576 2.271 1.00 0.00 N ATOM 0 H ARG A 111 -17.739 -4.017 7.003 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.976 -6.321 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.550 -6.085 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.970 -7.619 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.359 -6.984 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.983 -5.378 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.991 -6.488 3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.636 -8.010 4.489 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.786 -6.065 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.679 -7.818 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.851 -7.820 1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.272 -6.061 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.867 -6.834 1.318 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.874 -6.785 9.684 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.609 -7.113 10.390 1.00 0.00 C ATOM 1781 C LEU A 112 -15.318 -8.605 10.257 1.00 0.00 C ATOM 1782 O LEU A 112 -16.195 -9.436 10.389 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.744 -6.755 11.870 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.393 -5.375 12.006 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.280 -4.901 13.453 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.690 -4.374 11.083 1.00 0.00 C ATOM 0 H LEU A 112 -17.728 -7.015 10.192 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.792 -6.543 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.347 -7.504 12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.763 -6.756 12.346 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.444 -5.443 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.742 -3.919 13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.789 -5.608 14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.229 -4.838 13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.157 -3.395 11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.637 -4.304 11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.775 -4.710 10.050 1.00 0.00 H new ATOM 1798 N SER A 113 -14.088 -8.951 10.008 1.00 0.00 N ATOM 1799 CA SER A 113 -13.734 -10.390 9.885 1.00 0.00 C ATOM 1800 C SER A 113 -13.304 -10.907 11.258 1.00 0.00 C ATOM 1801 O SER A 113 -13.163 -10.148 12.196 1.00 0.00 O ATOM 1802 CB SER A 113 -12.582 -10.561 8.894 1.00 0.00 C ATOM 1803 OG SER A 113 -11.392 -10.025 9.457 1.00 0.00 O ATOM 0 H SER A 113 -13.313 -8.300 9.884 1.00 0.00 H new ATOM 0 HA SER A 113 -14.597 -10.951 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.443 -11.616 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.815 -10.054 7.958 1.00 0.00 H new ATOM 0 HG SER A 113 -10.652 -10.135 8.824 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.093 -12.184 11.389 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.673 -12.726 12.710 1.00 0.00 C ATOM 1811 C HIS A 114 -11.549 -11.856 13.273 1.00 0.00 C ATOM 1812 O HIS A 114 -11.405 -11.706 14.469 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.172 -14.160 12.542 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.295 -15.028 12.047 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.229 -15.590 12.908 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -13.652 -15.439 10.788 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.093 -16.303 12.160 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -14.786 -16.240 10.864 1.00 0.00 N ATOM 0 H HIS A 114 -13.192 -12.874 10.644 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.522 -12.720 13.394 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.340 -14.186 11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.797 -14.539 13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.132 -15.180 9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -15.930 -16.856 12.560 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -15.279 -16.686 10.091 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.747 -11.281 12.417 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.630 -10.422 12.900 1.00 0.00 C ATOM 1829 C GLU A 115 -10.198 -9.227 13.672 1.00 0.00 C ATOM 1830 O GLU A 115 -9.609 -8.761 14.627 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.822 -9.921 11.700 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.130 -11.105 11.022 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.275 -10.601 9.860 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.507 -11.387 9.332 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.401 -9.435 9.522 1.00 0.00 O ATOM 0 H GLU A 115 -10.818 -11.370 11.403 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.983 -11.001 13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.478 -9.415 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.081 -9.191 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.507 -11.636 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.873 -11.815 10.659 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.339 -8.731 13.271 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.943 -7.573 13.990 1.00 0.00 C ATOM 1845 C HIS A 116 -13.358 -7.938 14.451 1.00 0.00 C ATOM 1846 O HIS A 116 -14.106 -8.575 13.736 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.996 -6.364 13.055 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.596 -5.933 12.719 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.749 -5.370 13.664 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.876 -5.982 11.551 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.579 -5.106 13.053 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.606 -5.461 11.767 1.00 0.00 N ATOM 0 H HIS A 116 -11.878 -9.078 12.477 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.336 -7.327 14.861 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.539 -6.618 12.144 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.536 -5.546 13.531 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -9.972 -5.189 14.643 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.240 -6.366 10.610 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.725 -4.662 13.543 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.729 -7.545 15.641 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.093 -7.879 16.145 1.00 0.00 C ATOM 1863 C GLN A 117 -15.930 -6.604 16.276 1.00 0.00 C ATOM 1864 O GLN A 117 -17.143 -6.639 16.196 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.982 -8.550 17.518 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.632 -7.500 18.573 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.300 -8.194 19.895 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.669 -9.233 19.909 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.702 -7.660 21.016 1.00 0.00 N ATOM 0 H GLN A 117 -13.148 -7.008 16.285 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.575 -8.557 15.440 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.923 -9.038 17.773 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.217 -9.326 17.494 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.782 -6.904 18.240 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.468 -6.814 18.710 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.231 -6.788 21.005 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.487 -8.114 21.903 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.303 -5.478 16.484 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.083 -4.218 16.625 1.00 0.00 C ATOM 1880 C ALA A 118 -15.296 -3.046 16.037 1.00 0.00 C ATOM 1881 O ALA A 118 -14.088 -3.089 15.914 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.357 -3.953 18.107 1.00 0.00 C ATOM 0 H ALA A 118 -14.291 -5.377 16.562 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.026 -4.320 16.088 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.928 -3.031 18.212 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.927 -4.782 18.526 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.411 -3.857 18.640 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.982 -2.000 15.672 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.299 -0.813 15.088 1.00 0.00 C ATOM 1890 C TYR A 119 -15.874 0.461 15.706 1.00 0.00 C ATOM 1891 O TYR A 119 -16.970 0.466 16.230 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.535 -0.793 13.578 1.00 0.00 C ATOM 1893 CG TYR A 119 -16.997 -0.546 13.312 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.902 -1.612 13.350 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.454 0.746 13.026 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.261 -1.392 13.106 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.814 0.970 12.782 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.718 -0.099 12.820 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.058 0.122 12.581 1.00 0.00 O ATOM 0 H TYR A 119 -16.995 -1.916 15.754 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.230 -0.866 15.295 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.931 -0.014 13.113 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.227 -1.741 13.136 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.549 -2.609 13.569 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.757 1.570 12.994 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.957 -2.217 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.166 1.967 12.564 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.205 1.074 12.400 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.146 1.542 15.646 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.654 2.816 16.232 1.00 0.00 C ATOM 1911 C ARG A 120 -15.402 3.976 15.268 1.00 0.00 C ATOM 1912 O ARG A 120 -14.433 3.995 14.537 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.918 3.120 17.536 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.252 2.070 18.595 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.537 2.430 19.899 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.185 3.624 20.510 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.008 3.887 21.778 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.258 3.108 22.508 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.576 4.931 22.314 1.00 0.00 N ATOM 0 H ARG A 120 -14.222 1.599 15.217 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.723 2.704 16.416 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.843 3.137 17.358 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.197 4.110 17.896 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.329 2.028 18.756 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -14.941 1.082 18.256 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.575 1.589 20.591 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.484 2.635 19.704 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.767 4.237 19.939 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.809 2.293 22.089 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.120 3.314 23.497 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.159 5.543 21.744 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.437 5.135 23.304 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.251 4.963 15.303 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.052 6.156 14.435 1.00 0.00 C ATOM 1935 C TRP A 121 -15.708 7.334 15.342 1.00 0.00 C ATOM 1936 O TRP A 121 -16.548 7.839 16.061 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.333 6.451 13.655 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.390 5.563 12.458 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.051 4.384 12.390 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.769 5.761 11.158 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.871 3.843 11.128 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.087 4.656 10.331 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.968 6.784 10.624 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.622 4.574 9.017 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.500 6.702 9.304 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.826 5.600 8.504 1.00 0.00 C ATOM 0 H TRP A 121 -17.079 4.995 15.898 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.250 5.980 13.718 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.205 6.286 14.288 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.355 7.497 13.349 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.625 3.938 13.189 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.268 2.954 10.824 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.711 7.638 11.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.876 3.723 8.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.885 7.494 8.902 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.461 5.544 7.489 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.474 7.759 15.344 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.080 8.882 16.242 1.00 0.00 C ATOM 1959 C LEU A 122 -13.291 9.929 15.458 1.00 0.00 C ATOM 1960 O LEU A 122 -12.968 9.746 14.301 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.207 8.352 17.386 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.586 6.900 17.722 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.506 5.950 17.197 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.714 6.737 19.241 1.00 0.00 C ATOM 0 H LEU A 122 -13.725 7.379 14.766 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.983 9.337 16.648 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.156 8.404 17.103 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.331 8.980 18.268 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.539 6.661 17.251 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.778 4.922 17.437 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.419 6.060 16.116 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.551 6.191 17.664 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.983 5.707 19.475 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.763 6.980 19.714 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.488 7.408 19.615 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.976 11.027 16.090 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.204 12.093 15.394 1.00 0.00 C ATOM 1978 C GLY A 123 -10.710 11.773 15.478 1.00 0.00 C ATOM 1979 O GLY A 123 -10.314 10.744 15.987 1.00 0.00 O ATOM 0 H GLY A 123 -13.221 11.231 17.059 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.515 12.161 14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.406 13.062 15.851 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.878 12.641 14.975 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.412 12.383 15.017 1.00 0.00 C ATOM 1985 C LEU A 124 -7.944 12.239 16.468 1.00 0.00 C ATOM 1986 O LEU A 124 -7.109 11.416 16.781 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.675 13.550 14.360 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.165 13.341 14.472 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.795 11.947 13.965 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.450 14.388 13.621 1.00 0.00 C ATOM 0 H LEU A 124 -10.151 13.520 14.536 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.196 11.459 14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.963 13.629 13.312 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.958 14.487 14.840 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.864 13.438 15.515 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.718 11.804 14.047 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.308 11.194 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.096 11.848 12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.372 14.244 13.697 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.758 14.283 12.581 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.709 15.385 13.977 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.467 13.044 17.350 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.048 12.976 18.783 1.00 0.00 C ATOM 2004 C GLU A 125 -8.287 11.574 19.343 1.00 0.00 C ATOM 2005 O GLU A 125 -7.388 10.940 19.857 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.870 13.988 19.585 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.339 13.550 19.602 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.202 14.679 20.164 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.638 15.647 20.642 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.412 14.553 20.108 1.00 0.00 O ATOM 0 H GLU A 125 -9.171 13.752 17.141 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.985 13.206 18.858 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.488 14.058 20.603 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.780 14.980 19.142 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.665 13.296 18.593 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.455 12.653 20.210 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.490 11.083 19.251 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.781 9.725 19.779 1.00 0.00 C ATOM 2020 C GLU A 126 -9.112 8.696 18.881 1.00 0.00 C ATOM 2021 O GLU A 126 -8.422 7.810 19.337 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.290 9.501 19.778 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.853 9.640 21.198 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.248 10.862 21.894 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.835 11.927 21.788 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.219 10.712 22.530 1.00 0.00 O ATOM 0 H GLU A 126 -10.285 11.565 18.832 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.401 9.628 20.796 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.771 10.223 19.117 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.516 8.510 19.386 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.938 9.736 21.158 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.634 8.740 21.773 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.285 8.810 17.600 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.625 7.837 16.705 1.00 0.00 C ATOM 2036 C ALA A 127 -7.152 7.795 17.095 1.00 0.00 C ATOM 2037 O ALA A 127 -6.521 6.760 17.087 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.776 8.287 15.257 1.00 0.00 C ATOM 0 H ALA A 127 -9.848 9.526 17.140 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.074 6.848 16.800 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.288 7.567 14.600 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.834 8.350 15.004 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.314 9.266 15.130 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.614 8.920 17.478 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.194 8.959 17.915 1.00 0.00 C ATOM 2046 C CYS A 128 -5.090 8.322 19.302 1.00 0.00 C ATOM 2047 O CYS A 128 -4.126 7.654 19.617 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.718 10.412 17.978 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.987 10.879 16.388 1.00 0.00 S ATOM 0 H CYS A 128 -7.100 9.816 17.506 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.571 8.411 17.208 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.555 11.070 18.213 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.985 10.531 18.776 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.585 12.114 16.441 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.082 8.517 20.134 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.033 7.915 21.495 1.00 0.00 C ATOM 2057 C GLN A 129 -6.138 6.396 21.377 1.00 0.00 C ATOM 2058 O GLN A 129 -5.371 5.661 21.966 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.182 8.475 22.354 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.433 7.595 22.255 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.283 6.375 23.164 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.207 6.091 23.652 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.331 5.642 23.423 1.00 0.00 N ATOM 0 H GLN A 129 -6.918 9.064 19.929 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.089 8.167 21.978 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.862 8.540 23.394 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.421 9.488 22.030 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.315 8.168 22.542 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.583 7.275 21.224 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.234 5.881 23.013 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.247 4.830 24.035 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.071 5.919 20.602 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.209 4.447 20.425 1.00 0.00 C ATOM 2074 C LEU A 130 -5.996 3.929 19.662 1.00 0.00 C ATOM 2075 O LEU A 130 -5.406 2.928 20.013 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.470 4.143 19.621 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.702 4.538 20.427 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.752 5.107 19.484 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.271 3.301 21.118 1.00 0.00 C ATOM 0 H LEU A 130 -7.744 6.484 20.084 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.276 3.965 21.400 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.451 4.688 18.677 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.509 3.082 19.376 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.429 5.284 21.174 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.637 5.392 20.054 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.349 5.984 18.977 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.024 4.353 18.745 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.152 3.580 21.695 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.548 2.560 20.368 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.519 2.878 21.785 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.605 4.622 18.628 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.416 4.187 17.855 1.00 0.00 C ATOM 2093 C ALA A 131 -3.177 4.623 18.629 1.00 0.00 C ATOM 2094 O ALA A 131 -2.286 5.261 18.104 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.431 4.840 16.474 1.00 0.00 C ATOM 0 H ALA A 131 -6.059 5.470 18.288 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.417 3.105 17.721 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.556 4.518 15.910 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.335 4.545 15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.413 5.924 16.584 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.138 4.279 19.886 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.991 4.662 20.756 1.00 0.00 C ATOM 2103 C GLN A 132 -0.687 4.590 19.967 1.00 0.00 C ATOM 2104 O GLN A 132 0.213 5.384 20.167 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.916 3.681 21.924 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.186 2.267 21.407 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.186 1.296 22.029 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.092 1.532 21.911 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.568 0.308 22.623 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.865 3.739 20.355 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.135 5.680 21.118 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.933 3.729 22.393 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.647 3.948 22.687 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.204 1.966 21.656 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.103 2.244 20.320 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.567 0.123 22.716 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.890 -0.337 23.029 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.570 3.650 19.076 1.00 0.00 N ATOM 2119 CA PHE A 133 0.687 3.541 18.291 1.00 0.00 C ATOM 2120 C PHE A 133 0.964 4.890 17.617 1.00 0.00 C ATOM 2121 O PHE A 133 0.144 5.415 16.889 1.00 0.00 O ATOM 2122 CB PHE A 133 0.532 2.452 17.223 1.00 0.00 C ATOM 2123 CG PHE A 133 -0.019 1.190 17.849 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.306 0.850 19.169 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.864 0.360 17.100 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.213 -0.319 19.737 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.381 -0.808 17.670 1.00 0.00 C ATOM 2128 CZ PHE A 133 -1.056 -1.149 18.987 1.00 0.00 C ATOM 0 H PHE A 133 -1.285 2.956 18.858 1.00 0.00 H new ATOM 0 HA PHE A 133 1.516 3.278 18.948 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.135 2.798 16.433 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.496 2.247 16.758 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.956 1.489 19.747 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.116 0.622 16.083 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.037 -0.581 20.754 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.032 -1.447 17.092 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.455 -2.052 19.425 1.00 0.00 H new ATOM 2138 N LYS A 134 2.117 5.453 17.865 1.00 0.00 N ATOM 2139 CA LYS A 134 2.467 6.772 17.258 1.00 0.00 C ATOM 2140 C LYS A 134 2.392 6.690 15.735 1.00 0.00 C ATOM 2141 O LYS A 134 2.040 7.642 15.066 1.00 0.00 O ATOM 2142 CB LYS A 134 3.892 7.147 17.665 1.00 0.00 C ATOM 2143 CG LYS A 134 4.260 8.498 17.051 1.00 0.00 C ATOM 2144 CD LYS A 134 5.715 8.828 17.383 1.00 0.00 C ATOM 2145 CE LYS A 134 6.041 10.244 16.905 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.293 10.713 17.562 1.00 0.00 N ATOM 0 H LYS A 134 2.837 5.053 18.467 1.00 0.00 H new ATOM 0 HA LYS A 134 1.761 7.524 17.611 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.970 7.196 18.751 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.591 6.381 17.329 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.120 8.469 15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.602 9.277 17.437 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.881 8.749 18.457 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.380 8.109 16.904 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.160 10.255 15.822 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.218 10.918 17.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.516 11.676 17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.163 10.717 18.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 8.076 10.075 17.314 1.00 0.00 H new ATOM 2160 N GLU A 135 2.745 5.569 15.181 1.00 0.00 N ATOM 2161 CA GLU A 135 2.721 5.427 13.699 1.00 0.00 C ATOM 2162 C GLU A 135 1.327 5.755 13.174 1.00 0.00 C ATOM 2163 O GLU A 135 1.167 6.448 12.188 1.00 0.00 O ATOM 2164 CB GLU A 135 3.027 3.979 13.338 1.00 0.00 C ATOM 2165 CG GLU A 135 4.244 3.506 14.125 1.00 0.00 C ATOM 2166 CD GLU A 135 4.547 2.052 13.762 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.573 1.555 14.191 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.742 1.460 13.061 1.00 0.00 O ATOM 0 H GLU A 135 3.051 4.740 15.691 1.00 0.00 H new ATOM 0 HA GLU A 135 3.456 6.102 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.167 3.347 13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.216 3.892 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.104 4.136 13.900 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.056 3.594 15.195 1.00 0.00 H new ATOM 2176 N MET A 136 0.318 5.247 13.822 1.00 0.00 N ATOM 2177 CA MET A 136 -1.068 5.504 13.364 1.00 0.00 C ATOM 2178 C MET A 136 -1.501 6.899 13.793 1.00 0.00 C ATOM 2179 O MET A 136 -2.042 7.657 13.012 1.00 0.00 O ATOM 2180 CB MET A 136 -1.981 4.450 13.975 1.00 0.00 C ATOM 2181 CG MET A 136 -1.390 3.066 13.695 1.00 0.00 C ATOM 2182 SD MET A 136 -1.005 2.913 11.933 1.00 0.00 S ATOM 2183 CE MET A 136 -2.638 3.353 11.296 1.00 0.00 C ATOM 0 H MET A 136 0.397 4.662 14.654 1.00 0.00 H new ATOM 0 HA MET A 136 -1.124 5.449 12.277 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.077 4.610 15.049 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.982 4.526 13.551 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.488 2.918 14.289 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.097 2.291 13.991 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.794 2.871 10.331 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.404 3.020 11.996 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.702 4.434 11.176 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.238 7.273 15.012 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.613 8.641 15.436 1.00 0.00 C ATOM 2195 C LYS A 137 -0.968 9.595 14.443 1.00 0.00 C ATOM 2196 O LYS A 137 -1.505 10.630 14.118 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.100 8.910 16.850 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.026 8.216 17.854 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.205 7.505 18.931 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.526 8.519 19.857 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.354 9.816 19.149 1.00 0.00 N ATOM 0 H LYS A 137 -0.786 6.697 15.722 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.695 8.770 15.451 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.081 8.539 16.958 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.071 9.982 17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.687 8.949 18.316 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.660 7.496 17.337 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.852 6.850 19.514 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.451 6.873 18.462 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.126 8.662 20.756 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.444 8.139 20.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.061 10.514 19.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.277 9.685 18.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.280 10.157 18.819 1.00 0.00 H new ATOM 2215 N ALA A 138 0.174 9.214 13.933 1.00 0.00 N ATOM 2216 CA ALA A 138 0.868 10.054 12.923 1.00 0.00 C ATOM 2217 C ALA A 138 0.173 9.872 11.572 1.00 0.00 C ATOM 2218 O ALA A 138 -0.184 10.828 10.909 1.00 0.00 O ATOM 2219 CB ALA A 138 2.316 9.605 12.803 1.00 0.00 C ATOM 0 H ALA A 138 0.656 8.349 14.178 1.00 0.00 H new ATOM 0 HA ALA A 138 0.835 11.101 13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.827 10.220 12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.811 9.712 13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.349 8.561 12.492 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.035 8.645 11.166 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.718 8.389 9.868 1.00 0.00 C ATOM 2227 C ALA A 139 -2.078 9.071 9.903 1.00 0.00 C ATOM 2228 O ALA A 139 -2.435 9.831 9.022 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.910 6.882 9.686 1.00 0.00 C ATOM 0 H ALA A 139 0.241 7.809 11.681 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.122 8.777 9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.410 6.691 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.062 6.388 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.519 6.492 10.502 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.831 8.828 10.938 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.157 9.482 11.065 1.00 0.00 C ATOM 2237 C LEU A 140 -3.917 10.991 11.159 1.00 0.00 C ATOM 2238 O LEU A 140 -4.754 11.795 10.797 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.844 8.989 12.344 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.925 7.459 12.326 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.843 6.924 13.756 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.251 7.017 11.703 1.00 0.00 C ATOM 0 H LEU A 140 -2.582 8.202 11.703 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.792 9.246 10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.288 9.324 13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.844 9.415 12.419 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.096 7.067 11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.901 5.836 13.741 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.899 7.231 14.206 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.671 7.323 14.342 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.303 5.928 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.079 7.414 12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.317 7.393 10.682 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.769 11.364 11.662 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.426 12.811 11.815 1.00 0.00 C ATOM 2256 C GLN A 141 -2.075 13.433 10.465 1.00 0.00 C ATOM 2257 O GLN A 141 -2.613 14.452 10.082 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.200 12.925 12.724 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.614 13.453 14.096 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.697 14.980 14.039 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.477 15.545 13.161 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.036 15.665 14.796 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.044 10.719 11.978 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.286 13.333 12.236 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.723 11.951 12.829 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.465 13.593 12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.578 13.034 14.385 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.892 13.143 14.852 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.426 15.222 15.483 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.092 16.682 14.744 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.159 12.843 9.744 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.768 13.427 8.433 1.00 0.00 C ATOM 2273 C GLU A 142 -1.950 13.352 7.469 1.00 0.00 C ATOM 2274 O GLU A 142 -2.158 14.233 6.658 1.00 0.00 O ATOM 2275 CB GLU A 142 0.427 12.664 7.853 1.00 0.00 C ATOM 2276 CG GLU A 142 1.623 12.775 8.802 1.00 0.00 C ATOM 2277 CD GLU A 142 2.845 12.108 8.167 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.686 11.499 7.121 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.918 12.218 8.736 1.00 0.00 O ATOM 0 H GLU A 142 -0.669 11.988 10.006 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.483 14.469 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.164 11.616 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.688 13.068 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.837 13.823 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.390 12.299 9.754 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.732 12.310 7.548 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.902 12.199 6.634 1.00 0.00 C ATOM 2289 C GLY A 143 -4.797 13.419 6.835 1.00 0.00 C ATOM 2290 O GLY A 143 -5.180 14.082 5.893 1.00 0.00 O ATOM 0 H GLY A 143 -2.612 11.536 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.568 12.142 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.458 11.284 6.841 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.117 13.732 8.061 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.972 14.922 8.330 1.00 0.00 C ATOM 2296 C HIS A 144 -5.230 16.175 7.869 1.00 0.00 C ATOM 2297 O HIS A 144 -5.788 17.050 7.238 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.243 15.026 9.835 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.303 16.062 10.086 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.062 17.421 9.938 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.614 15.956 10.478 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.202 18.071 10.234 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.176 17.224 10.570 1.00 0.00 N ATOM 0 H HIS A 144 -4.823 13.214 8.889 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.917 14.826 7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.565 14.060 10.224 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.327 15.293 10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.130 15.030 10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.315 19.145 10.203 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -10.132 17.458 10.838 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.970 16.264 8.197 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.165 17.455 7.804 1.00 0.00 C ATOM 2314 C GLN A 145 -3.180 17.633 6.283 1.00 0.00 C ATOM 2315 O GLN A 145 -3.348 18.724 5.778 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.722 17.251 8.266 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.939 18.552 8.080 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.413 19.579 9.110 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.562 19.265 10.275 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.660 20.801 8.724 1.00 0.00 N ATOM 0 H GLN A 145 -3.460 15.556 8.725 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.593 18.343 8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.703 16.949 9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.256 16.448 7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.129 18.367 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.086 18.937 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.534 21.062 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.979 21.495 9.400 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.988 16.574 5.548 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.972 16.691 4.062 1.00 0.00 C ATOM 2331 C PHE A 146 -4.373 16.982 3.513 1.00 0.00 C ATOM 2332 O PHE A 146 -4.554 17.867 2.701 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.463 15.387 3.458 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.483 15.509 1.957 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.683 15.317 1.265 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.311 15.823 1.254 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.718 15.436 -0.126 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.346 15.944 -0.141 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.549 15.749 -0.831 1.00 0.00 C ATOM 0 H PHE A 146 -2.841 15.632 5.911 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.315 17.518 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.451 15.179 3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.088 14.553 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.585 15.076 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.383 15.971 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.646 15.287 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.445 16.188 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.575 15.840 -1.907 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.362 16.235 3.925 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.737 16.471 3.396 1.00 0.00 C ATOM 2351 C LEU A 147 -7.140 17.926 3.626 1.00 0.00 C ATOM 2352 O LEU A 147 -7.816 18.527 2.816 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.729 15.537 4.089 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.384 14.087 3.746 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.363 13.146 4.439 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.485 13.878 2.236 1.00 0.00 C ATOM 0 H LEU A 147 -5.279 15.476 4.601 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.747 16.266 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.693 15.686 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.746 15.766 3.770 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.369 13.876 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.113 12.114 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.300 13.286 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.377 13.364 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.239 12.844 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.501 14.096 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.788 14.545 1.729 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.719 18.506 4.713 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.070 19.927 4.971 1.00 0.00 C ATOM 2370 C CYS A 148 -6.254 20.815 4.029 1.00 0.00 C ATOM 2371 O CYS A 148 -6.506 21.994 3.895 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.745 20.280 6.423 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.817 19.329 7.528 1.00 0.00 S ATOM 0 H CYS A 148 -6.149 18.059 5.431 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.135 20.084 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.699 20.061 6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.888 21.348 6.590 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.092 18.531 8.255 1.00 0.00 H new ATOM 2379 N SER A 149 -5.267 20.251 3.384 1.00 0.00 N ATOM 2380 CA SER A 149 -4.417 21.053 2.457 1.00 0.00 C ATOM 2381 C SER A 149 -5.000 21.033 1.041 1.00 0.00 C ATOM 2382 O SER A 149 -4.562 21.766 0.177 1.00 0.00 O ATOM 2383 CB SER A 149 -3.008 20.461 2.423 1.00 0.00 C ATOM 2384 OG SER A 149 -2.096 21.377 3.021 1.00 0.00 O ATOM 0 H SER A 149 -5.013 19.266 3.460 1.00 0.00 H new ATOM 0 HA SER A 149 -4.385 22.082 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.988 19.510 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.712 20.256 1.394 1.00 0.00 H new ATOM 0 HG SER A 149 -1.192 20.998 3.002 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.978 20.205 0.784 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.559 20.158 -0.587 1.00 0.00 C ATOM 2392 C ILE A 150 -7.558 21.304 -0.748 1.00 0.00 C ATOM 2393 O ILE A 150 -7.257 22.449 -0.480 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.275 18.819 -0.809 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.599 17.713 0.006 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.203 18.448 -2.292 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.447 16.441 -0.079 1.00 0.00 C ATOM 0 H ILE A 150 -6.396 19.565 1.459 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.759 20.258 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.313 18.919 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.596 17.523 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.490 18.024 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.711 17.497 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.687 19.224 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.160 18.359 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.972 15.648 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.441 16.639 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.533 16.130 -1.120 1.00 0.00 H new