USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 953 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 101 GLN :FLIP amide:sc= 0.391 F(o=-1,f=0.42) USER MOD Set 1.2: A 125 CYS SG : rot 114:sc= 0.0323 USER MOD Set 2.1: A 79 ASN : amide:sc= -0.0995 K(o=-0.11,f=-1.7!) USER MOD Set 2.2: A 80 SER OG : rot 180:sc= -0.012 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 168:sc= -0.0213 (180deg=-0.271) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 94:sc= 1.13 USER MOD Single : A 39 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.6!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -1.01 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= -0.146 (180deg=-0.176) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.97! C(o=-5!,f=-9.3!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.545 F(o=-1.4,f=-0.54) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.285) USER MOD Single : A 97 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 106 ASN : amide:sc= -0.878 K(o=-0.88,f=-4.9!) USER MOD Single : A 108 GLN : amide:sc= -0.0588 K(o=-0.059,f=-0.66) USER MOD Single : A 119 SER OG : rot 102:sc= -0.908 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 6 5.925 -2.252 -12.463 1.00 24.23 N ATOM 82 CA ILE A 6 7.352 -2.543 -12.523 1.00 5.40 C ATOM 83 C ILE A 6 8.073 -2.020 -11.285 1.00 34.15 C ATOM 84 O ILE A 6 9.106 -2.554 -10.883 1.00 70.43 O ATOM 85 CB ILE A 6 8.000 -1.927 -13.777 1.00 51.24 C ATOM 86 CG1 ILE A 6 7.595 -0.458 -13.918 1.00 74.14 C ATOM 87 CG2 ILE A 6 7.603 -2.713 -15.018 1.00 43.22 C ATOM 88 CD1 ILE A 6 8.313 0.262 -15.037 1.00 45.44 C ATOM 0 HA ILE A 6 7.450 -3.628 -12.567 1.00 5.40 H new ATOM 0 HB ILE A 6 9.084 -1.977 -13.670 1.00 51.24 H new ATOM 0 HG12 ILE A 6 6.520 -0.401 -14.091 1.00 74.14 H new ATOM 0 HG13 ILE A 6 7.795 0.057 -12.978 1.00 74.14 H new ATOM 0 HG21 ILE A 6 8.069 -2.266 -15.896 1.00 43.22 H new ATOM 0 HG22 ILE A 6 7.937 -3.746 -14.917 1.00 43.22 H new ATOM 0 HG23 ILE A 6 6.519 -2.691 -15.131 1.00 43.22 H new ATOM 0 HD11 ILE A 6 7.976 1.298 -15.078 1.00 45.44 H new ATOM 0 HD12 ILE A 6 9.387 0.236 -14.856 1.00 45.44 H new ATOM 0 HD13 ILE A 6 8.093 -0.229 -15.985 1.00 45.44 H new ATOM 100 N ALA A 7 7.518 -0.973 -10.682 1.00 22.30 N ATOM 101 CA ALA A 7 8.105 -0.381 -9.487 1.00 1.35 C ATOM 102 C ALA A 7 8.302 -1.427 -8.395 1.00 33.20 C ATOM 103 O ALA A 7 9.280 -1.385 -7.650 1.00 13.02 O ATOM 104 CB ALA A 7 7.232 0.757 -8.978 1.00 41.15 C ATOM 0 H ALA A 7 6.663 -0.518 -11.002 1.00 22.30 H new ATOM 0 HA ALA A 7 9.084 0.017 -9.753 1.00 1.35 H new ATOM 0 HB1 ALA A 7 7.683 1.190 -8.085 1.00 41.15 H new ATOM 0 HB2 ALA A 7 7.146 1.523 -9.749 1.00 41.15 H new ATOM 0 HB3 ALA A 7 6.241 0.374 -8.735 1.00 41.15 H new ATOM 110 N GLY A 8 7.364 -2.366 -8.306 1.00 25.22 N ATOM 111 CA GLY A 8 7.453 -3.410 -7.301 1.00 43.14 C ATOM 112 C GLY A 8 8.469 -4.476 -7.661 1.00 41.12 C ATOM 113 O GLY A 8 9.134 -5.030 -6.785 1.00 50.12 O ATOM 0 H GLY A 8 6.545 -2.422 -8.911 1.00 25.22 H new ATOM 0 HA2 GLY A 8 7.721 -2.966 -6.343 1.00 43.14 H new ATOM 0 HA3 GLY A 8 6.474 -3.873 -7.175 1.00 43.14 H new ATOM 117 N ILE A 9 8.589 -4.765 -8.953 1.00 33.15 N ATOM 118 CA ILE A 9 9.530 -5.772 -9.425 1.00 63.33 C ATOM 119 C ILE A 9 10.960 -5.242 -9.402 1.00 71.23 C ATOM 120 O ILE A 9 11.912 -6.001 -9.219 1.00 65.34 O ATOM 121 CB ILE A 9 9.189 -6.235 -10.854 1.00 63.21 C ATOM 122 CG1 ILE A 9 7.798 -6.870 -10.889 1.00 74.13 C ATOM 123 CG2 ILE A 9 10.238 -7.216 -11.357 1.00 52.05 C ATOM 124 CD1 ILE A 9 6.715 -5.927 -11.366 1.00 21.10 C ATOM 0 H ILE A 9 8.046 -4.316 -9.691 1.00 33.15 H new ATOM 0 HA ILE A 9 9.449 -6.622 -8.747 1.00 63.33 H new ATOM 0 HB ILE A 9 9.188 -5.366 -11.512 1.00 63.21 H new ATOM 0 HG12 ILE A 9 7.822 -7.743 -11.542 1.00 74.13 H new ATOM 0 HG13 ILE A 9 7.545 -7.226 -9.890 1.00 74.13 H new ATOM 0 HG21 ILE A 9 9.983 -7.534 -12.368 1.00 52.05 H new ATOM 0 HG22 ILE A 9 11.215 -6.732 -11.364 1.00 52.05 H new ATOM 0 HG23 ILE A 9 10.268 -8.085 -10.700 1.00 52.05 H new ATOM 0 HD11 ILE A 9 5.756 -6.445 -11.365 1.00 21.10 H new ATOM 0 HD12 ILE A 9 6.663 -5.066 -10.700 1.00 21.10 H new ATOM 0 HD13 ILE A 9 6.945 -5.590 -12.377 1.00 21.10 H new ATOM 136 N LEU A 10 11.103 -3.935 -9.587 1.00 51.54 N ATOM 137 CA LEU A 10 12.417 -3.301 -9.586 1.00 50.20 C ATOM 138 C LEU A 10 12.855 -2.958 -8.166 1.00 12.13 C ATOM 139 O LEU A 10 14.049 -2.877 -7.874 1.00 54.33 O ATOM 140 CB LEU A 10 12.395 -2.035 -10.445 1.00 25.21 C ATOM 141 CG LEU A 10 12.206 -0.717 -9.693 1.00 72.22 C ATOM 142 CD1 LEU A 10 13.546 -0.172 -9.224 1.00 71.43 C ATOM 143 CD2 LEU A 10 11.493 0.300 -10.572 1.00 55.00 C ATOM 0 H LEU A 10 10.325 -3.293 -9.740 1.00 51.54 H new ATOM 0 HA LEU A 10 13.134 -4.006 -10.007 1.00 50.20 H new ATOM 0 HB2 LEU A 10 13.330 -1.982 -11.002 1.00 25.21 H new ATOM 0 HB3 LEU A 10 11.593 -2.131 -11.177 1.00 25.21 H new ATOM 0 HG LEU A 10 11.588 -0.907 -8.816 1.00 72.22 H new ATOM 0 HD11 LEU A 10 13.391 0.766 -8.691 1.00 71.43 H new ATOM 0 HD12 LEU A 10 14.019 -0.894 -8.558 1.00 71.43 H new ATOM 0 HD13 LEU A 10 14.190 0.003 -10.086 1.00 71.43 H new ATOM 0 HD21 LEU A 10 11.367 1.232 -10.021 1.00 55.00 H new ATOM 0 HD22 LEU A 10 12.086 0.485 -11.468 1.00 55.00 H new ATOM 0 HD23 LEU A 10 10.515 -0.088 -10.858 1.00 55.00 H new ATOM 155 N THR A 11 11.880 -2.759 -7.283 1.00 64.32 N ATOM 156 CA THR A 11 12.165 -2.426 -5.893 1.00 75.50 C ATOM 157 C THR A 11 12.305 -3.685 -5.044 1.00 52.20 C ATOM 158 O THR A 11 12.905 -3.656 -3.970 1.00 33.44 O ATOM 159 CB THR A 11 11.061 -1.536 -5.292 1.00 1.41 C ATOM 160 OG1 THR A 11 11.538 -0.903 -4.099 1.00 50.32 O ATOM 161 CG2 THR A 11 9.818 -2.353 -4.976 1.00 32.22 C ATOM 0 H THR A 11 10.887 -2.823 -7.506 1.00 64.32 H new ATOM 0 HA THR A 11 13.108 -1.879 -5.885 1.00 75.50 H new ATOM 0 HB THR A 11 10.798 -0.775 -6.027 1.00 1.41 H new ATOM 0 HG1 THR A 11 10.831 -0.338 -3.724 1.00 50.32 H new ATOM 0 HG21 THR A 11 9.053 -1.702 -4.553 1.00 32.22 H new ATOM 0 HG22 THR A 11 9.440 -2.810 -5.891 1.00 32.22 H new ATOM 0 HG23 THR A 11 10.069 -3.133 -4.258 1.00 32.22 H new ATOM 169 N SER A 12 11.748 -4.788 -5.533 1.00 61.22 N ATOM 170 CA SER A 12 11.809 -6.057 -4.817 1.00 73.00 C ATOM 171 C SER A 12 13.115 -6.787 -5.115 1.00 74.44 C ATOM 172 O SER A 12 13.967 -6.943 -4.241 1.00 23.04 O ATOM 173 CB SER A 12 10.619 -6.940 -5.199 1.00 12.32 C ATOM 174 OG SER A 12 10.713 -8.215 -4.587 1.00 53.44 O ATOM 0 H SER A 12 11.249 -4.829 -6.422 1.00 61.22 H new ATOM 0 HA SER A 12 11.767 -5.845 -3.749 1.00 73.00 H new ATOM 0 HB2 SER A 12 9.691 -6.455 -4.897 1.00 12.32 H new ATOM 0 HB3 SER A 12 10.580 -7.055 -6.282 1.00 12.32 H new ATOM 0 HG SER A 12 9.940 -8.760 -4.845 1.00 53.44 H new ATOM 180 N THR A 13 13.265 -7.234 -6.358 1.00 73.45 N ATOM 181 CA THR A 13 14.465 -7.949 -6.774 1.00 32.52 C ATOM 182 C THR A 13 15.061 -7.337 -8.036 1.00 12.31 C ATOM 183 O THR A 13 14.334 -6.869 -8.913 1.00 23.01 O ATOM 184 CB THR A 13 14.171 -9.440 -7.030 1.00 15.41 C ATOM 185 OG1 THR A 13 13.318 -9.954 -6.001 1.00 74.43 O ATOM 186 CG2 THR A 13 15.460 -10.245 -7.077 1.00 71.50 C ATOM 0 H THR A 13 12.570 -7.113 -7.094 1.00 73.45 H new ATOM 0 HA THR A 13 15.182 -7.862 -5.958 1.00 32.52 H new ATOM 0 HB THR A 13 13.671 -9.529 -7.994 1.00 15.41 H new ATOM 0 HG1 THR A 13 13.134 -10.901 -6.171 1.00 74.43 H new ATOM 0 HG21 THR A 13 15.227 -11.294 -7.259 1.00 71.50 H new ATOM 0 HG22 THR A 13 16.094 -9.870 -7.880 1.00 71.50 H new ATOM 0 HG23 THR A 13 15.984 -10.149 -6.126 1.00 71.50 H new ATOM 194 N ARG A 14 16.387 -7.343 -8.122 1.00 0.12 N ATOM 195 CA ARG A 14 17.080 -6.787 -9.277 1.00 44.24 C ATOM 196 C ARG A 14 17.806 -7.881 -10.054 1.00 64.23 C ATOM 197 O ARG A 14 18.864 -8.356 -9.639 1.00 44.43 O ATOM 198 CB ARG A 14 18.077 -5.715 -8.833 1.00 43.35 C ATOM 199 CG ARG A 14 17.435 -4.368 -8.543 1.00 73.23 C ATOM 200 CD ARG A 14 18.481 -3.299 -8.271 1.00 11.22 C ATOM 201 NE ARG A 14 17.889 -2.081 -7.724 1.00 40.21 N ATOM 202 CZ ARG A 14 18.596 -1.010 -7.382 1.00 2.35 C ATOM 203 NH1 ARG A 14 19.914 -1.006 -7.529 1.00 32.31 N ATOM 204 NH2 ARG A 14 17.985 0.061 -6.891 1.00 2.12 N ATOM 0 H ARG A 14 17.003 -7.727 -7.405 1.00 0.12 H new ATOM 0 HA ARG A 14 16.336 -6.333 -9.932 1.00 44.24 H new ATOM 0 HB2 ARG A 14 18.595 -6.061 -7.939 1.00 43.35 H new ATOM 0 HB3 ARG A 14 18.831 -5.589 -9.610 1.00 43.35 H new ATOM 0 HG2 ARG A 14 16.818 -4.068 -9.390 1.00 73.23 H new ATOM 0 HG3 ARG A 14 16.772 -4.457 -7.682 1.00 73.23 H new ATOM 0 HD2 ARG A 14 19.223 -3.687 -7.573 1.00 11.22 H new ATOM 0 HD3 ARG A 14 19.007 -3.063 -9.196 1.00 11.22 H new ATOM 0 HE ARG A 14 16.877 -2.051 -7.598 1.00 40.21 H new ATOM 0 HH11 ARG A 14 20.388 -1.827 -7.906 1.00 32.31 H new ATOM 0 HH12 ARG A 14 20.454 -0.182 -7.265 1.00 32.31 H new ATOM 0 HH21 ARG A 14 16.972 0.062 -6.776 1.00 2.12 H new ATOM 0 HH22 ARG A 14 18.529 0.883 -6.629 1.00 2.12 H new ATOM 218 N THR A 15 17.231 -8.279 -11.185 1.00 15.22 N ATOM 219 CA THR A 15 17.821 -9.318 -12.019 1.00 12.11 C ATOM 220 C THR A 15 17.688 -8.977 -13.499 1.00 11.24 C ATOM 221 O THR A 15 16.682 -8.411 -13.927 1.00 14.55 O ATOM 222 CB THR A 15 17.165 -10.687 -11.759 1.00 23.35 C ATOM 223 OG1 THR A 15 17.386 -11.086 -10.401 1.00 63.01 O ATOM 224 CG2 THR A 15 17.725 -11.743 -12.700 1.00 40.10 C ATOM 0 H THR A 15 16.356 -7.897 -11.544 1.00 15.22 H new ATOM 0 HA THR A 15 18.877 -9.373 -11.755 1.00 12.11 H new ATOM 0 HB THR A 15 16.094 -10.592 -11.940 1.00 23.35 H new ATOM 0 HG1 THR A 15 16.965 -11.957 -10.243 1.00 63.01 H new ATOM 0 HG21 THR A 15 17.247 -12.701 -12.497 1.00 40.10 H new ATOM 0 HG22 THR A 15 17.530 -11.451 -13.732 1.00 40.10 H new ATOM 0 HG23 THR A 15 18.800 -11.834 -12.546 1.00 40.10 H new ATOM 232 N ILE A 16 18.708 -9.325 -14.275 1.00 61.03 N ATOM 233 CA ILE A 16 18.703 -9.057 -15.708 1.00 3.20 C ATOM 234 C ILE A 16 19.024 -10.317 -16.504 1.00 44.03 C ATOM 235 O ILE A 16 19.974 -11.035 -16.193 1.00 33.34 O ATOM 236 CB ILE A 16 19.716 -7.957 -16.078 1.00 71.13 C ATOM 237 CG1 ILE A 16 19.436 -6.685 -15.276 1.00 4.23 C ATOM 238 CG2 ILE A 16 19.664 -7.670 -17.571 1.00 72.14 C ATOM 239 CD1 ILE A 16 20.137 -6.650 -13.936 1.00 0.45 C ATOM 0 H ILE A 16 19.548 -9.793 -13.936 1.00 61.03 H new ATOM 0 HA ILE A 16 17.699 -8.716 -15.962 1.00 3.20 H new ATOM 0 HB ILE A 16 20.718 -8.308 -15.830 1.00 71.13 H new ATOM 0 HG12 ILE A 16 19.746 -5.820 -15.862 1.00 4.23 H new ATOM 0 HG13 ILE A 16 18.361 -6.594 -15.117 1.00 4.23 H new ATOM 0 HG21 ILE A 16 20.385 -6.891 -17.817 1.00 72.14 H new ATOM 0 HG22 ILE A 16 19.907 -8.577 -18.125 1.00 72.14 H new ATOM 0 HG23 ILE A 16 18.663 -7.336 -17.843 1.00 72.14 H new ATOM 0 HD11 ILE A 16 19.893 -5.720 -13.422 1.00 0.45 H new ATOM 0 HD12 ILE A 16 19.809 -7.495 -13.331 1.00 0.45 H new ATOM 0 HD13 ILE A 16 21.215 -6.709 -14.088 1.00 0.45 H new ATOM 251 N ALA A 17 18.227 -10.578 -17.535 1.00 63.12 N ATOM 252 CA ALA A 17 18.429 -11.749 -18.379 1.00 72.31 C ATOM 253 C ALA A 17 18.762 -11.344 -19.811 1.00 11.42 C ATOM 254 O ALA A 17 18.145 -10.436 -20.369 1.00 54.43 O ATOM 255 CB ALA A 17 17.193 -12.637 -18.354 1.00 2.11 C ATOM 0 H ALA A 17 17.436 -9.994 -17.806 1.00 63.12 H new ATOM 0 HA ALA A 17 19.275 -12.310 -17.982 1.00 72.31 H new ATOM 0 HB1 ALA A 17 17.358 -13.508 -18.989 1.00 2.11 H new ATOM 0 HB2 ALA A 17 17.000 -12.964 -17.332 1.00 2.11 H new ATOM 0 HB3 ALA A 17 16.334 -12.076 -18.723 1.00 2.11 H new ATOM 261 N LEU A 18 19.741 -12.021 -20.400 1.00 2.41 N ATOM 262 CA LEU A 18 20.157 -11.730 -21.768 1.00 22.03 C ATOM 263 C LEU A 18 19.929 -12.935 -22.674 1.00 73.41 C ATOM 264 O LEU A 18 20.261 -14.066 -22.317 1.00 40.32 O ATOM 265 CB LEU A 18 21.633 -11.327 -21.798 1.00 55.02 C ATOM 266 CG LEU A 18 22.188 -10.918 -23.163 1.00 4.44 C ATOM 267 CD1 LEU A 18 22.042 -9.418 -23.370 1.00 64.24 C ATOM 268 CD2 LEU A 18 23.646 -11.337 -23.292 1.00 55.44 C ATOM 0 H LEU A 18 20.262 -12.775 -19.952 1.00 2.41 H new ATOM 0 HA LEU A 18 19.553 -10.901 -22.137 1.00 22.03 H new ATOM 0 HB2 LEU A 18 21.777 -10.497 -21.106 1.00 55.02 H new ATOM 0 HB3 LEU A 18 22.225 -12.162 -21.422 1.00 55.02 H new ATOM 0 HG LEU A 18 21.614 -11.428 -23.936 1.00 4.44 H new ATOM 0 HD11 LEU A 18 22.442 -9.145 -24.346 1.00 64.24 H new ATOM 0 HD12 LEU A 18 20.988 -9.145 -23.320 1.00 64.24 H new ATOM 0 HD13 LEU A 18 22.591 -8.888 -22.592 1.00 64.24 H new ATOM 0 HD21 LEU A 18 24.025 -11.038 -24.269 1.00 55.44 H new ATOM 0 HD22 LEU A 18 24.234 -10.854 -22.511 1.00 55.44 H new ATOM 0 HD23 LEU A 18 23.724 -12.419 -23.188 1.00 55.44 H new ATOM 280 N VAL A 19 19.361 -12.686 -23.850 1.00 31.02 N ATOM 281 CA VAL A 19 19.091 -13.750 -24.809 1.00 50.05 C ATOM 282 C VAL A 19 20.046 -13.676 -25.995 1.00 64.11 C ATOM 283 O VAL A 19 20.095 -12.673 -26.705 1.00 50.41 O ATOM 284 CB VAL A 19 17.642 -13.685 -25.327 1.00 52.52 C ATOM 285 CG1 VAL A 19 17.336 -14.884 -26.211 1.00 35.33 C ATOM 286 CG2 VAL A 19 16.664 -13.605 -24.164 1.00 42.14 C ATOM 0 H VAL A 19 19.079 -11.756 -24.161 1.00 31.02 H new ATOM 0 HA VAL A 19 19.239 -14.694 -24.284 1.00 50.05 H new ATOM 0 HB VAL A 19 17.530 -12.783 -25.929 1.00 52.52 H new ATOM 0 HG11 VAL A 19 16.308 -14.820 -26.567 1.00 35.33 H new ATOM 0 HG12 VAL A 19 18.016 -14.891 -27.063 1.00 35.33 H new ATOM 0 HG13 VAL A 19 17.465 -15.802 -25.637 1.00 35.33 H new ATOM 0 HG21 VAL A 19 15.645 -13.560 -24.548 1.00 42.14 H new ATOM 0 HG22 VAL A 19 16.775 -14.487 -23.534 1.00 42.14 H new ATOM 0 HG23 VAL A 19 16.870 -12.711 -23.576 1.00 42.14 H new ATOM 296 N GLY A 20 20.806 -14.747 -26.204 1.00 70.30 N ATOM 297 CA GLY A 20 21.750 -14.784 -27.305 1.00 43.24 C ATOM 298 C GLY A 20 23.077 -14.142 -26.953 1.00 3.22 C ATOM 299 O GLY A 20 23.441 -13.107 -27.510 1.00 43.22 O ATOM 0 H GLY A 20 20.784 -15.590 -25.630 1.00 70.30 H new ATOM 0 HA2 GLY A 20 21.918 -15.820 -27.601 1.00 43.24 H new ATOM 0 HA3 GLY A 20 21.320 -14.273 -28.166 1.00 43.24 H new ATOM 303 N ALA A 21 23.802 -14.756 -26.023 1.00 73.11 N ATOM 304 CA ALA A 21 25.096 -14.238 -25.597 1.00 72.11 C ATOM 305 C ALA A 21 26.237 -15.057 -26.191 1.00 2.23 C ATOM 306 O ALA A 21 26.712 -16.013 -25.578 1.00 75.42 O ATOM 307 CB ALA A 21 25.186 -14.227 -24.078 1.00 72.13 C ATOM 0 H ALA A 21 23.515 -15.613 -25.550 1.00 73.11 H new ATOM 0 HA ALA A 21 25.189 -13.215 -25.963 1.00 72.11 H new ATOM 0 HB1 ALA A 21 26.158 -13.838 -23.774 1.00 72.13 H new ATOM 0 HB2 ALA A 21 24.398 -13.593 -23.671 1.00 72.13 H new ATOM 0 HB3 ALA A 21 25.067 -15.242 -23.699 1.00 72.13 H new ATOM 313 N SER A 22 26.673 -14.675 -27.387 1.00 23.21 N ATOM 314 CA SER A 22 27.756 -15.377 -28.065 1.00 65.23 C ATOM 315 C SER A 22 29.083 -14.651 -27.866 1.00 43.23 C ATOM 316 O SER A 22 29.185 -13.732 -27.053 1.00 32.31 O ATOM 317 CB SER A 22 27.452 -15.507 -29.559 1.00 50.30 C ATOM 318 OG SER A 22 26.115 -15.924 -29.773 1.00 32.24 O ATOM 0 H SER A 22 26.293 -13.884 -27.906 1.00 23.21 H new ATOM 0 HA SER A 22 27.838 -16.373 -27.630 1.00 65.23 H new ATOM 0 HB2 SER A 22 27.621 -14.550 -30.052 1.00 50.30 H new ATOM 0 HB3 SER A 22 28.137 -16.224 -30.012 1.00 50.30 H new ATOM 0 HG SER A 22 25.945 -15.998 -30.735 1.00 32.24 H new ATOM 324 N ASP A 23 30.098 -15.070 -28.615 1.00 13.42 N ATOM 325 CA ASP A 23 31.419 -14.459 -28.523 1.00 31.33 C ATOM 326 C ASP A 23 31.573 -13.340 -29.548 1.00 22.13 C ATOM 327 O ASP A 23 32.608 -13.224 -30.206 1.00 15.05 O ATOM 328 CB ASP A 23 32.507 -15.514 -28.733 1.00 11.55 C ATOM 329 CG ASP A 23 32.250 -16.376 -29.952 1.00 74.24 C ATOM 330 OD1 ASP A 23 32.560 -15.924 -31.074 1.00 61.32 O ATOM 331 OD2 ASP A 23 31.737 -17.503 -29.785 1.00 52.24 O ATOM 0 H ASP A 23 30.031 -15.830 -29.292 1.00 13.42 H new ATOM 0 HA ASP A 23 31.526 -14.031 -27.526 1.00 31.33 H new ATOM 0 HB2 ASP A 23 33.473 -15.020 -28.838 1.00 11.55 H new ATOM 0 HB3 ASP A 23 32.569 -16.149 -27.849 1.00 11.55 H new ATOM 336 N LYS A 24 30.537 -12.518 -29.679 1.00 64.45 N ATOM 337 CA LYS A 24 30.556 -11.408 -30.624 1.00 4.20 C ATOM 338 C LYS A 24 30.631 -10.072 -29.892 1.00 11.15 C ATOM 339 O LYS A 24 29.621 -9.408 -29.656 1.00 71.43 O ATOM 340 CB LYS A 24 29.311 -11.446 -31.512 1.00 51.44 C ATOM 341 CG LYS A 24 29.398 -12.460 -32.640 1.00 4.05 C ATOM 342 CD LYS A 24 30.374 -12.015 -33.716 1.00 24.13 C ATOM 343 CE LYS A 24 30.094 -12.704 -35.042 1.00 72.52 C ATOM 344 NZ LYS A 24 31.219 -12.537 -36.003 1.00 61.41 N ATOM 0 H LYS A 24 29.674 -12.600 -29.142 1.00 64.45 H new ATOM 0 HA LYS A 24 31.443 -11.510 -31.249 1.00 4.20 H new ATOM 0 HB2 LYS A 24 28.442 -11.675 -30.895 1.00 51.44 H new ATOM 0 HB3 LYS A 24 29.148 -10.456 -31.937 1.00 51.44 H new ATOM 0 HG2 LYS A 24 29.711 -13.424 -32.240 1.00 4.05 H new ATOM 0 HG3 LYS A 24 28.411 -12.602 -33.079 1.00 4.05 H new ATOM 0 HD2 LYS A 24 30.307 -10.935 -33.845 1.00 24.13 H new ATOM 0 HD3 LYS A 24 31.393 -12.236 -33.398 1.00 24.13 H new ATOM 0 HE2 LYS A 24 29.919 -13.766 -34.869 1.00 72.52 H new ATOM 0 HE3 LYS A 24 29.181 -12.297 -35.477 1.00 72.52 H new ATOM 0 HZ1 LYS A 24 30.989 -13.021 -36.894 1.00 61.41 H new ATOM 0 HZ2 LYS A 24 31.370 -11.525 -36.188 1.00 61.41 H new ATOM 0 HZ3 LYS A 24 32.085 -12.948 -35.599 1.00 61.41 H new ATOM 358 N PRO A 25 31.855 -9.666 -29.523 1.00 11.41 N ATOM 359 CA PRO A 25 32.090 -8.404 -28.814 1.00 22.43 C ATOM 360 C PRO A 25 31.846 -7.187 -29.699 1.00 72.22 C ATOM 361 O PRO A 25 31.885 -6.049 -29.231 1.00 23.20 O ATOM 362 CB PRO A 25 33.566 -8.490 -28.418 1.00 23.01 C ATOM 363 CG PRO A 25 34.174 -9.410 -29.419 1.00 63.34 C ATOM 364 CD PRO A 25 33.104 -10.406 -29.770 1.00 55.15 C ATOM 0 HA PRO A 25 31.414 -8.280 -27.968 1.00 22.43 H new ATOM 0 HB2 PRO A 25 34.040 -7.509 -28.443 1.00 23.01 H new ATOM 0 HB3 PRO A 25 33.682 -8.875 -27.405 1.00 23.01 H new ATOM 0 HG2 PRO A 25 34.503 -8.863 -30.303 1.00 63.34 H new ATOM 0 HG3 PRO A 25 35.052 -9.909 -29.008 1.00 63.34 H new ATOM 0 HD2 PRO A 25 33.181 -10.729 -30.808 1.00 55.15 H new ATOM 0 HD3 PRO A 25 33.170 -11.301 -29.152 1.00 55.15 H new ATOM 372 N ASP A 26 31.593 -7.434 -30.980 1.00 22.23 N ATOM 373 CA ASP A 26 31.341 -6.358 -31.931 1.00 13.23 C ATOM 374 C ASP A 26 29.843 -6.160 -32.142 1.00 11.41 C ATOM 375 O ASP A 26 29.414 -5.660 -33.182 1.00 75.31 O ATOM 376 CB ASP A 26 32.021 -6.659 -33.267 1.00 3.12 C ATOM 377 CG ASP A 26 32.418 -5.399 -34.011 1.00 64.21 C ATOM 378 OD1 ASP A 26 33.053 -4.519 -33.392 1.00 72.12 O ATOM 379 OD2 ASP A 26 32.096 -5.294 -35.213 1.00 13.24 O ATOM 0 H ASP A 26 31.557 -8.370 -31.383 1.00 22.23 H new ATOM 0 HA ASP A 26 31.757 -5.438 -31.520 1.00 13.23 H new ATOM 0 HB2 ASP A 26 32.908 -7.268 -33.091 1.00 3.12 H new ATOM 0 HB3 ASP A 26 31.348 -7.248 -33.890 1.00 3.12 H new ATOM 384 N ARG A 27 29.053 -6.555 -31.149 1.00 0.11 N ATOM 385 CA ARG A 27 27.603 -6.423 -31.227 1.00 42.21 C ATOM 386 C ARG A 27 27.053 -5.726 -29.986 1.00 21.41 C ATOM 387 O ARG A 27 27.697 -5.672 -28.938 1.00 33.43 O ATOM 388 CB ARG A 27 26.952 -7.798 -31.384 1.00 61.20 C ATOM 389 CG ARG A 27 26.845 -8.260 -32.828 1.00 72.01 C ATOM 390 CD ARG A 27 25.406 -8.223 -33.319 1.00 41.24 C ATOM 391 NE ARG A 27 25.240 -8.938 -34.582 1.00 2.11 N ATOM 392 CZ ARG A 27 24.221 -8.740 -35.410 1.00 53.11 C ATOM 393 NH1 ARG A 27 23.282 -7.853 -35.111 1.00 34.12 N ATOM 394 NH2 ARG A 27 24.139 -9.430 -36.541 1.00 3.52 N ATOM 0 H ARG A 27 29.393 -6.969 -30.281 1.00 0.11 H new ATOM 0 HA ARG A 27 27.365 -5.815 -32.100 1.00 42.21 H new ATOM 0 HB2 ARG A 27 27.529 -8.530 -30.819 1.00 61.20 H new ATOM 0 HB3 ARG A 27 25.955 -7.771 -30.945 1.00 61.20 H new ATOM 0 HG2 ARG A 27 27.463 -7.624 -33.462 1.00 72.01 H new ATOM 0 HG3 ARG A 27 27.235 -9.274 -32.917 1.00 72.01 H new ATOM 0 HD2 ARG A 27 24.754 -8.664 -32.565 1.00 41.24 H new ATOM 0 HD3 ARG A 27 25.093 -7.187 -33.445 1.00 41.24 H new ATOM 0 HE ARG A 27 25.946 -9.627 -34.842 1.00 2.11 H new ATOM 0 HH11 ARG A 27 23.341 -7.321 -34.243 1.00 34.12 H new ATOM 0 HH12 ARG A 27 22.500 -7.703 -35.749 1.00 34.12 H new ATOM 0 HH21 ARG A 27 24.859 -10.113 -36.775 1.00 3.52 H new ATOM 0 HH22 ARG A 27 23.356 -9.277 -37.176 1.00 3.52 H new ATOM 408 N PRO A 28 25.834 -5.180 -30.105 1.00 41.41 N ATOM 409 CA PRO A 28 25.170 -4.477 -29.003 1.00 44.21 C ATOM 410 C PRO A 28 24.744 -5.423 -27.885 1.00 43.44 C ATOM 411 O PRO A 28 24.454 -4.990 -26.770 1.00 43.11 O ATOM 412 CB PRO A 28 23.944 -3.850 -29.670 1.00 15.11 C ATOM 413 CG PRO A 28 23.669 -4.717 -30.850 1.00 2.10 C ATOM 414 CD PRO A 28 25.010 -5.206 -31.325 1.00 15.01 C ATOM 0 HA PRO A 28 25.829 -3.752 -28.525 1.00 44.21 H new ATOM 0 HB2 PRO A 28 23.093 -3.826 -28.990 1.00 15.11 H new ATOM 0 HB3 PRO A 28 24.140 -2.821 -29.972 1.00 15.11 H new ATOM 0 HG2 PRO A 28 23.023 -5.552 -30.579 1.00 2.10 H new ATOM 0 HG3 PRO A 28 23.157 -4.159 -31.634 1.00 2.10 H new ATOM 0 HD2 PRO A 28 24.946 -6.210 -31.745 1.00 15.01 H new ATOM 0 HD3 PRO A 28 25.421 -4.561 -32.101 1.00 15.01 H new ATOM 422 N SER A 29 24.709 -6.715 -28.192 1.00 20.52 N ATOM 423 CA SER A 29 24.315 -7.722 -27.213 1.00 71.44 C ATOM 424 C SER A 29 25.446 -7.993 -26.226 1.00 44.04 C ATOM 425 O SER A 29 25.209 -8.396 -25.088 1.00 33.53 O ATOM 426 CB SER A 29 23.916 -9.020 -27.918 1.00 65.53 C ATOM 427 OG SER A 29 24.612 -9.170 -29.144 1.00 3.42 O ATOM 0 H SER A 29 24.948 -7.090 -29.110 1.00 20.52 H new ATOM 0 HA SER A 29 23.458 -7.339 -26.659 1.00 71.44 H new ATOM 0 HB2 SER A 29 24.128 -9.870 -27.269 1.00 65.53 H new ATOM 0 HB3 SER A 29 22.842 -9.021 -28.104 1.00 65.53 H new ATOM 0 HG SER A 29 24.341 -10.008 -29.574 1.00 3.42 H new ATOM 433 N TYR A 30 26.677 -7.768 -26.672 1.00 5.04 N ATOM 434 CA TYR A 30 27.847 -7.989 -25.830 1.00 21.43 C ATOM 435 C TYR A 30 28.171 -6.745 -25.009 1.00 0.21 C ATOM 436 O TYR A 30 28.391 -6.825 -23.800 1.00 55.52 O ATOM 437 CB TYR A 30 29.053 -8.376 -26.687 1.00 61.44 C ATOM 438 CG TYR A 30 30.064 -9.233 -25.959 1.00 70.22 C ATOM 439 CD1 TYR A 30 30.732 -8.753 -24.839 1.00 70.42 C ATOM 440 CD2 TYR A 30 30.352 -10.522 -26.392 1.00 10.35 C ATOM 441 CE1 TYR A 30 31.657 -9.532 -24.171 1.00 71.21 C ATOM 442 CE2 TYR A 30 31.274 -11.308 -25.729 1.00 22.12 C ATOM 443 CZ TYR A 30 31.924 -10.809 -24.619 1.00 42.13 C ATOM 444 OH TYR A 30 32.845 -11.589 -23.957 1.00 54.42 O ATOM 0 H TYR A 30 26.891 -7.433 -27.611 1.00 5.04 H new ATOM 0 HA TYR A 30 27.620 -8.805 -25.145 1.00 21.43 H new ATOM 0 HB2 TYR A 30 28.704 -8.912 -27.570 1.00 61.44 H new ATOM 0 HB3 TYR A 30 29.544 -7.469 -27.038 1.00 61.44 H new ATOM 0 HD1 TYR A 30 30.525 -7.754 -24.485 1.00 70.42 H new ATOM 0 HD2 TYR A 30 29.846 -10.915 -27.261 1.00 10.35 H new ATOM 0 HE1 TYR A 30 32.168 -9.143 -23.303 1.00 71.21 H new ATOM 0 HE2 TYR A 30 31.485 -12.308 -26.078 1.00 22.12 H new ATOM 0 HH TYR A 30 32.914 -12.460 -24.400 1.00 54.42 H new ATOM 454 N ARG A 31 28.198 -5.595 -25.675 1.00 63.22 N ATOM 455 CA ARG A 31 28.496 -4.333 -25.009 1.00 54.11 C ATOM 456 C ARG A 31 27.575 -4.120 -23.811 1.00 72.32 C ATOM 457 O ARG A 31 27.975 -3.539 -22.803 1.00 11.44 O ATOM 458 CB ARG A 31 28.351 -3.168 -25.990 1.00 4.20 C ATOM 459 CG ARG A 31 26.908 -2.807 -26.299 1.00 73.44 C ATOM 460 CD ARG A 31 26.821 -1.683 -27.319 1.00 54.41 C ATOM 461 NE ARG A 31 27.579 -1.982 -28.531 1.00 22.14 N ATOM 462 CZ ARG A 31 27.810 -1.094 -29.491 1.00 63.43 C ATOM 463 NH1 ARG A 31 27.344 0.142 -29.382 1.00 43.10 N ATOM 464 NH2 ARG A 31 28.509 -1.443 -30.564 1.00 5.41 N ATOM 0 H ARG A 31 28.017 -5.511 -26.675 1.00 63.22 H new ATOM 0 HA ARG A 31 29.525 -4.373 -24.652 1.00 54.11 H new ATOM 0 HB2 ARG A 31 28.855 -2.293 -25.579 1.00 4.20 H new ATOM 0 HB3 ARG A 31 28.860 -3.422 -26.920 1.00 4.20 H new ATOM 0 HG2 ARG A 31 26.385 -3.685 -26.678 1.00 73.44 H new ATOM 0 HG3 ARG A 31 26.402 -2.507 -25.381 1.00 73.44 H new ATOM 0 HD2 ARG A 31 25.777 -1.509 -27.579 1.00 54.41 H new ATOM 0 HD3 ARG A 31 27.197 -0.761 -26.875 1.00 54.41 H new ATOM 0 HE ARG A 31 27.951 -2.925 -28.646 1.00 22.14 H new ATOM 0 HH11 ARG A 31 26.806 0.414 -28.559 1.00 43.10 H new ATOM 0 HH12 ARG A 31 27.523 0.822 -30.121 1.00 43.10 H new ATOM 0 HH21 ARG A 31 28.869 -2.393 -30.651 1.00 5.41 H new ATOM 0 HH22 ARG A 31 28.686 -0.761 -31.301 1.00 5.41 H new ATOM 478 N VAL A 32 26.339 -4.595 -23.930 1.00 31.24 N ATOM 479 CA VAL A 32 25.361 -4.458 -22.857 1.00 0.21 C ATOM 480 C VAL A 32 25.620 -5.468 -21.745 1.00 11.24 C ATOM 481 O VAL A 32 25.362 -5.195 -20.573 1.00 33.43 O ATOM 482 CB VAL A 32 23.924 -4.644 -23.380 1.00 3.41 C ATOM 483 CG1 VAL A 32 23.711 -6.071 -23.860 1.00 61.02 C ATOM 484 CG2 VAL A 32 22.914 -4.278 -22.303 1.00 22.33 C ATOM 0 H VAL A 32 25.991 -5.078 -24.758 1.00 31.24 H new ATOM 0 HA VAL A 32 25.467 -3.449 -22.459 1.00 0.21 H new ATOM 0 HB VAL A 32 23.775 -3.975 -24.228 1.00 3.41 H new ATOM 0 HG11 VAL A 32 22.690 -6.183 -24.226 1.00 61.02 H new ATOM 0 HG12 VAL A 32 24.411 -6.292 -24.665 1.00 61.02 H new ATOM 0 HG13 VAL A 32 23.878 -6.762 -23.034 1.00 61.02 H new ATOM 0 HG21 VAL A 32 21.904 -4.415 -22.690 1.00 22.33 H new ATOM 0 HG22 VAL A 32 23.060 -4.919 -21.434 1.00 22.33 H new ATOM 0 HG23 VAL A 32 23.053 -3.237 -22.013 1.00 22.33 H new ATOM 494 N MET A 33 26.132 -6.635 -22.120 1.00 61.14 N ATOM 495 CA MET A 33 26.428 -7.686 -21.154 1.00 31.24 C ATOM 496 C MET A 33 27.493 -7.229 -20.162 1.00 12.41 C ATOM 497 O MET A 33 27.239 -7.138 -18.961 1.00 2.24 O ATOM 498 CB MET A 33 26.895 -8.953 -21.873 1.00 33.34 C ATOM 499 CG MET A 33 27.346 -10.056 -20.929 1.00 35.41 C ATOM 500 SD MET A 33 27.402 -11.673 -21.726 1.00 44.43 S ATOM 501 CE MET A 33 28.504 -11.335 -23.098 1.00 13.22 C ATOM 0 H MET A 33 26.351 -6.877 -23.086 1.00 61.14 H new ATOM 0 HA MET A 33 25.514 -7.906 -20.603 1.00 31.24 H new ATOM 0 HB2 MET A 33 26.083 -9.328 -22.495 1.00 33.34 H new ATOM 0 HB3 MET A 33 27.718 -8.699 -22.542 1.00 33.34 H new ATOM 0 HG2 MET A 33 28.334 -9.813 -20.539 1.00 35.41 H new ATOM 0 HG3 MET A 33 26.668 -10.099 -20.076 1.00 35.41 H new ATOM 0 HE1 MET A 33 28.808 -12.274 -23.560 1.00 13.22 H new ATOM 0 HE2 MET A 33 27.989 -10.718 -23.835 1.00 13.22 H new ATOM 0 HE3 MET A 33 29.386 -10.807 -22.735 1.00 13.22 H new ATOM 511 N LYS A 34 28.686 -6.942 -20.672 1.00 53.20 N ATOM 512 CA LYS A 34 29.790 -6.493 -19.832 1.00 54.41 C ATOM 513 C LYS A 34 29.449 -5.174 -19.146 1.00 4.43 C ATOM 514 O LYS A 34 29.982 -4.862 -18.080 1.00 40.44 O ATOM 515 CB LYS A 34 31.061 -6.331 -20.668 1.00 61.54 C ATOM 516 CG LYS A 34 32.341 -6.443 -19.858 1.00 14.44 C ATOM 517 CD LYS A 34 33.477 -5.665 -20.500 1.00 62.51 C ATOM 518 CE LYS A 34 33.993 -6.363 -21.750 1.00 12.23 C ATOM 519 NZ LYS A 34 34.936 -7.467 -21.420 1.00 33.14 N ATOM 0 H LYS A 34 28.913 -7.012 -21.664 1.00 53.20 H new ATOM 0 HA LYS A 34 29.961 -7.248 -19.065 1.00 54.41 H new ATOM 0 HB2 LYS A 34 31.069 -7.089 -21.451 1.00 61.54 H new ATOM 0 HB3 LYS A 34 31.038 -5.360 -21.164 1.00 61.54 H new ATOM 0 HG2 LYS A 34 32.168 -6.069 -18.849 1.00 14.44 H new ATOM 0 HG3 LYS A 34 32.624 -7.492 -19.766 1.00 14.44 H new ATOM 0 HD2 LYS A 34 33.134 -4.663 -20.757 1.00 62.51 H new ATOM 0 HD3 LYS A 34 34.291 -5.550 -19.784 1.00 62.51 H new ATOM 0 HE2 LYS A 34 33.152 -6.762 -22.317 1.00 12.23 H new ATOM 0 HE3 LYS A 34 34.494 -5.637 -22.391 1.00 12.23 H new ATOM 0 HZ1 LYS A 34 35.265 -7.917 -22.298 1.00 33.14 H new ATOM 0 HZ2 LYS A 34 35.752 -7.083 -20.901 1.00 33.14 H new ATOM 0 HZ3 LYS A 34 34.451 -8.173 -20.830 1.00 33.14 H new ATOM 533 N TYR A 35 28.559 -4.404 -19.762 1.00 31.24 N ATOM 534 CA TYR A 35 28.148 -3.118 -19.210 1.00 64.31 C ATOM 535 C TYR A 35 27.467 -3.298 -17.857 1.00 73.52 C ATOM 536 O TYR A 35 27.822 -2.643 -16.877 1.00 41.51 O ATOM 537 CB TYR A 35 27.205 -2.402 -20.178 1.00 33.41 C ATOM 538 CG TYR A 35 26.118 -1.609 -19.488 1.00 41.33 C ATOM 539 CD1 TYR A 35 26.417 -0.447 -18.788 1.00 1.30 C ATOM 540 CD2 TYR A 35 24.792 -2.021 -19.538 1.00 50.31 C ATOM 541 CE1 TYR A 35 25.428 0.281 -18.156 1.00 34.01 C ATOM 542 CE2 TYR A 35 23.796 -1.298 -18.910 1.00 74.42 C ATOM 543 CZ TYR A 35 24.119 -0.149 -18.220 1.00 55.30 C ATOM 544 OH TYR A 35 23.130 0.574 -17.593 1.00 13.11 O ATOM 0 H TYR A 35 28.108 -4.648 -20.644 1.00 31.24 H new ATOM 0 HA TYR A 35 29.042 -2.510 -19.068 1.00 64.31 H new ATOM 0 HB2 TYR A 35 27.787 -1.731 -20.810 1.00 33.41 H new ATOM 0 HB3 TYR A 35 26.744 -3.139 -20.835 1.00 33.41 H new ATOM 0 HD1 TYR A 35 27.441 -0.107 -18.737 1.00 1.30 H new ATOM 0 HD2 TYR A 35 24.536 -2.921 -20.077 1.00 50.31 H new ATOM 0 HE1 TYR A 35 25.678 1.182 -17.615 1.00 34.01 H new ATOM 0 HE2 TYR A 35 22.770 -1.631 -18.959 1.00 74.42 H new ATOM 0 HH TYR A 35 22.731 1.203 -18.230 1.00 13.11 H new ATOM 554 N LEU A 36 26.485 -4.193 -17.811 1.00 44.32 N ATOM 555 CA LEU A 36 25.753 -4.462 -16.579 1.00 15.32 C ATOM 556 C LEU A 36 26.655 -5.124 -15.542 1.00 54.32 C ATOM 557 O LEU A 36 26.602 -4.794 -14.356 1.00 72.35 O ATOM 558 CB LEU A 36 24.544 -5.355 -16.865 1.00 64.23 C ATOM 559 CG LEU A 36 23.417 -4.719 -17.679 1.00 62.14 C ATOM 560 CD1 LEU A 36 22.384 -5.765 -18.068 1.00 53.11 C ATOM 561 CD2 LEU A 36 22.766 -3.588 -16.896 1.00 61.52 C ATOM 0 H LEU A 36 26.178 -4.744 -18.613 1.00 44.32 H new ATOM 0 HA LEU A 36 25.407 -3.510 -16.177 1.00 15.32 H new ATOM 0 HB2 LEU A 36 24.891 -6.243 -17.394 1.00 64.23 H new ATOM 0 HB3 LEU A 36 24.133 -5.691 -15.913 1.00 64.23 H new ATOM 0 HG LEU A 36 23.844 -4.303 -18.592 1.00 62.14 H new ATOM 0 HD11 LEU A 36 21.589 -5.294 -18.647 1.00 53.11 H new ATOM 0 HD12 LEU A 36 22.860 -6.540 -18.669 1.00 53.11 H new ATOM 0 HD13 LEU A 36 21.961 -6.211 -17.168 1.00 53.11 H new ATOM 0 HD21 LEU A 36 21.966 -3.147 -17.491 1.00 61.52 H new ATOM 0 HD22 LEU A 36 22.353 -3.980 -15.966 1.00 61.52 H new ATOM 0 HD23 LEU A 36 23.512 -2.826 -16.669 1.00 61.52 H new ATOM 573 N LEU A 37 27.483 -6.057 -15.997 1.00 24.02 N ATOM 574 CA LEU A 37 28.400 -6.764 -15.109 1.00 71.53 C ATOM 575 C LEU A 37 29.413 -5.804 -14.495 1.00 64.03 C ATOM 576 O LEU A 37 29.658 -5.832 -13.289 1.00 11.40 O ATOM 577 CB LEU A 37 29.128 -7.872 -15.873 1.00 73.11 C ATOM 578 CG LEU A 37 28.241 -8.944 -16.507 1.00 71.42 C ATOM 579 CD1 LEU A 37 28.992 -9.675 -17.610 1.00 11.52 C ATOM 580 CD2 LEU A 37 27.753 -9.926 -15.451 1.00 41.24 C ATOM 0 H LEU A 37 27.539 -6.342 -16.975 1.00 24.02 H new ATOM 0 HA LEU A 37 27.816 -7.209 -14.304 1.00 71.53 H new ATOM 0 HB2 LEU A 37 29.726 -7.411 -16.660 1.00 73.11 H new ATOM 0 HB3 LEU A 37 29.823 -8.361 -15.190 1.00 73.11 H new ATOM 0 HG LEU A 37 27.373 -8.455 -16.949 1.00 71.42 H new ATOM 0 HD11 LEU A 37 28.345 -10.434 -18.049 1.00 11.52 H new ATOM 0 HD12 LEU A 37 29.291 -8.964 -18.380 1.00 11.52 H new ATOM 0 HD13 LEU A 37 29.879 -10.152 -17.192 1.00 11.52 H new ATOM 0 HD21 LEU A 37 27.123 -10.682 -15.920 1.00 41.24 H new ATOM 0 HD22 LEU A 37 28.609 -10.409 -14.980 1.00 41.24 H new ATOM 0 HD23 LEU A 37 27.177 -9.392 -14.696 1.00 41.24 H new ATOM 592 N ASP A 38 29.998 -4.955 -15.333 1.00 2.43 N ATOM 593 CA ASP A 38 30.983 -3.983 -14.872 1.00 10.30 C ATOM 594 C ASP A 38 30.368 -3.025 -13.856 1.00 74.31 C ATOM 595 O ASP A 38 30.872 -2.879 -12.743 1.00 72.21 O ATOM 596 CB ASP A 38 31.547 -3.196 -16.056 1.00 41.01 C ATOM 597 CG ASP A 38 32.410 -2.029 -15.618 1.00 15.25 C ATOM 598 OD1 ASP A 38 33.626 -2.231 -15.423 1.00 43.21 O ATOM 599 OD2 ASP A 38 31.868 -0.913 -15.468 1.00 34.42 O ATOM 0 H ASP A 38 29.807 -4.920 -16.334 1.00 2.43 H new ATOM 0 HA ASP A 38 31.794 -4.527 -14.387 1.00 10.30 H new ATOM 0 HB2 ASP A 38 32.136 -3.864 -16.685 1.00 41.01 H new ATOM 0 HB3 ASP A 38 30.724 -2.826 -16.668 1.00 41.01 H new ATOM 604 N GLN A 39 29.276 -2.376 -14.248 1.00 45.44 N ATOM 605 CA GLN A 39 28.594 -1.431 -13.372 1.00 40.11 C ATOM 606 C GLN A 39 28.193 -2.097 -12.060 1.00 70.42 C ATOM 607 O GLN A 39 28.038 -1.433 -11.037 1.00 11.33 O ATOM 608 CB GLN A 39 27.357 -0.860 -14.067 1.00 74.42 C ATOM 609 CG GLN A 39 27.665 -0.159 -15.380 1.00 63.53 C ATOM 610 CD GLN A 39 27.683 1.350 -15.246 1.00 10.43 C ATOM 611 OE1 GLN A 39 27.136 2.066 -16.085 1.00 11.51 O ATOM 612 NE2 GLN A 39 28.313 1.843 -14.186 1.00 43.30 N ATOM 0 H GLN A 39 28.845 -2.487 -15.166 1.00 45.44 H new ATOM 0 HA GLN A 39 29.284 -0.618 -13.149 1.00 40.11 H new ATOM 0 HB2 GLN A 39 26.650 -1.668 -14.254 1.00 74.42 H new ATOM 0 HB3 GLN A 39 26.866 -0.156 -13.395 1.00 74.42 H new ATOM 0 HG2 GLN A 39 28.632 -0.498 -15.750 1.00 63.53 H new ATOM 0 HG3 GLN A 39 26.921 -0.445 -16.123 1.00 63.53 H new ATOM 0 HE21 GLN A 39 28.753 1.213 -13.515 1.00 43.30 H new ATOM 0 HE22 GLN A 39 28.357 2.852 -14.043 1.00 43.30 H new ATOM 621 N GLY A 40 28.026 -3.416 -12.099 1.00 1.04 N ATOM 622 CA GLY A 40 27.644 -4.150 -10.907 1.00 31.34 C ATOM 623 C GLY A 40 26.189 -4.573 -10.928 1.00 75.51 C ATOM 624 O GLY A 40 25.375 -4.063 -10.158 1.00 30.14 O ATOM 0 H GLY A 40 28.148 -3.988 -12.934 1.00 1.04 H new ATOM 0 HA2 GLY A 40 28.275 -5.034 -10.811 1.00 31.34 H new ATOM 0 HA3 GLY A 40 27.826 -3.531 -10.029 1.00 31.34 H new ATOM 628 N TYR A 41 25.859 -5.507 -11.813 1.00 73.42 N ATOM 629 CA TYR A 41 24.490 -5.996 -11.935 1.00 4.11 C ATOM 630 C TYR A 41 24.469 -7.502 -12.181 1.00 3.54 C ATOM 631 O TYR A 41 25.489 -8.101 -12.523 1.00 51.14 O ATOM 632 CB TYR A 41 23.767 -5.272 -13.072 1.00 64.20 C ATOM 633 CG TYR A 41 23.488 -3.815 -12.781 1.00 53.03 C ATOM 634 CD1 TYR A 41 24.494 -2.861 -12.877 1.00 74.42 C ATOM 635 CD2 TYR A 41 22.217 -3.392 -12.411 1.00 51.35 C ATOM 636 CE1 TYR A 41 24.243 -1.529 -12.612 1.00 34.24 C ATOM 637 CE2 TYR A 41 21.956 -2.061 -12.146 1.00 24.35 C ATOM 638 CZ TYR A 41 22.973 -1.134 -12.246 1.00 75.14 C ATOM 639 OH TYR A 41 22.718 0.192 -11.982 1.00 41.35 O ATOM 0 H TYR A 41 26.521 -5.941 -12.457 1.00 73.42 H new ATOM 0 HA TYR A 41 23.974 -5.792 -10.997 1.00 4.11 H new ATOM 0 HB2 TYR A 41 24.369 -5.344 -13.978 1.00 64.20 H new ATOM 0 HB3 TYR A 41 22.824 -5.781 -13.274 1.00 64.20 H new ATOM 0 HD1 TYR A 41 25.489 -3.167 -13.164 1.00 74.42 H new ATOM 0 HD2 TYR A 41 21.420 -4.116 -12.329 1.00 51.35 H new ATOM 0 HE1 TYR A 41 25.037 -0.801 -12.691 1.00 34.24 H new ATOM 0 HE2 TYR A 41 20.962 -1.748 -11.862 1.00 24.35 H new ATOM 0 HH TYR A 41 21.775 0.302 -11.739 1.00 41.35 H new ATOM 649 N HIS A 42 23.299 -8.107 -12.003 1.00 63.13 N ATOM 650 CA HIS A 42 23.143 -9.543 -12.207 1.00 1.04 C ATOM 651 C HIS A 42 22.721 -9.846 -13.641 1.00 52.31 C ATOM 652 O HIS A 42 21.634 -9.462 -14.073 1.00 74.42 O ATOM 653 CB HIS A 42 22.113 -10.109 -11.229 1.00 55.21 C ATOM 654 CG HIS A 42 22.713 -10.621 -9.956 1.00 73.32 C ATOM 655 ND1 HIS A 42 23.528 -9.858 -9.147 1.00 54.44 N ATOM 656 CD2 HIS A 42 22.611 -11.829 -9.353 1.00 2.42 C ATOM 657 CE1 HIS A 42 23.903 -10.574 -8.103 1.00 12.45 C ATOM 658 NE2 HIS A 42 23.360 -11.773 -8.203 1.00 31.51 N ATOM 0 H HIS A 42 22.446 -7.626 -11.718 1.00 63.13 H new ATOM 0 HA HIS A 42 24.107 -10.018 -12.023 1.00 1.04 H new ATOM 0 HB2 HIS A 42 21.385 -9.333 -10.991 1.00 55.21 H new ATOM 0 HB3 HIS A 42 21.569 -10.918 -11.716 1.00 55.21 H new ATOM 0 HD2 HIS A 42 22.046 -12.678 -9.710 1.00 2.42 H new ATOM 0 HE1 HIS A 42 24.545 -10.236 -7.303 1.00 12.45 H new ATOM 0 HE2 HIS A 42 23.478 -12.534 -7.535 1.00 31.51 H new ATOM 666 N VAL A 43 23.588 -10.535 -14.375 1.00 62.43 N ATOM 667 CA VAL A 43 23.305 -10.890 -15.761 1.00 1.20 C ATOM 668 C VAL A 43 23.123 -12.395 -15.917 1.00 21.41 C ATOM 669 O VAL A 43 23.868 -13.184 -15.335 1.00 30.32 O ATOM 670 CB VAL A 43 24.431 -10.420 -16.702 1.00 15.33 C ATOM 671 CG1 VAL A 43 24.034 -10.630 -18.155 1.00 43.42 C ATOM 672 CG2 VAL A 43 24.770 -8.960 -16.438 1.00 74.33 C ATOM 0 H VAL A 43 24.493 -10.859 -14.033 1.00 62.43 H new ATOM 0 HA VAL A 43 22.378 -10.385 -16.034 1.00 1.20 H new ATOM 0 HB VAL A 43 25.321 -11.017 -16.504 1.00 15.33 H new ATOM 0 HG11 VAL A 43 24.841 -10.292 -18.805 1.00 43.42 H new ATOM 0 HG12 VAL A 43 23.845 -11.689 -18.331 1.00 43.42 H new ATOM 0 HG13 VAL A 43 23.131 -10.059 -18.372 1.00 43.42 H new ATOM 0 HG21 VAL A 43 25.567 -8.644 -17.111 1.00 74.33 H new ATOM 0 HG22 VAL A 43 23.886 -8.345 -16.608 1.00 74.33 H new ATOM 0 HG23 VAL A 43 25.100 -8.844 -15.406 1.00 74.33 H new ATOM 682 N ILE A 44 22.129 -12.787 -16.706 1.00 55.23 N ATOM 683 CA ILE A 44 21.850 -14.198 -16.940 1.00 73.31 C ATOM 684 C ILE A 44 21.706 -14.491 -18.430 1.00 14.32 C ATOM 685 O ILE A 44 20.604 -14.677 -18.947 1.00 42.15 O ATOM 686 CB ILE A 44 20.568 -14.647 -16.214 1.00 53.30 C ATOM 687 CG1 ILE A 44 20.590 -14.179 -14.758 1.00 2.55 C ATOM 688 CG2 ILE A 44 20.419 -16.159 -16.288 1.00 13.03 C ATOM 689 CD1 ILE A 44 19.330 -14.521 -13.993 1.00 43.44 C ATOM 0 H ILE A 44 21.503 -12.147 -17.194 1.00 55.23 H new ATOM 0 HA ILE A 44 22.697 -14.757 -16.543 1.00 73.31 H new ATOM 0 HB ILE A 44 19.710 -14.193 -16.709 1.00 53.30 H new ATOM 0 HG12 ILE A 44 21.445 -14.629 -14.253 1.00 2.55 H new ATOM 0 HG13 ILE A 44 20.738 -13.099 -14.734 1.00 2.55 H new ATOM 0 HG21 ILE A 44 19.508 -16.461 -15.770 1.00 13.03 H new ATOM 0 HG22 ILE A 44 20.363 -16.468 -17.332 1.00 13.03 H new ATOM 0 HG23 ILE A 44 21.279 -16.633 -15.815 1.00 13.03 H new ATOM 0 HD11 ILE A 44 19.417 -14.159 -12.969 1.00 43.44 H new ATOM 0 HD12 ILE A 44 18.473 -14.049 -14.474 1.00 43.44 H new ATOM 0 HD13 ILE A 44 19.191 -15.602 -13.985 1.00 43.44 H new ATOM 701 N PRO A 45 22.844 -14.534 -19.137 1.00 64.41 N ATOM 702 CA PRO A 45 22.872 -14.807 -20.577 1.00 51.52 C ATOM 703 C PRO A 45 22.500 -16.249 -20.902 1.00 21.32 C ATOM 704 O PRO A 45 22.933 -17.180 -20.223 1.00 23.41 O ATOM 705 CB PRO A 45 24.327 -14.530 -20.963 1.00 2.32 C ATOM 706 CG PRO A 45 25.099 -14.746 -19.707 1.00 65.45 C ATOM 707 CD PRO A 45 24.193 -14.322 -18.585 1.00 60.12 C ATOM 0 HA PRO A 45 22.149 -14.198 -21.120 1.00 51.52 H new ATOM 0 HB2 PRO A 45 24.662 -15.201 -21.754 1.00 2.32 H new ATOM 0 HB3 PRO A 45 24.451 -13.513 -21.334 1.00 2.32 H new ATOM 0 HG2 PRO A 45 25.387 -15.792 -19.601 1.00 65.45 H new ATOM 0 HG3 PRO A 45 26.018 -14.160 -19.709 1.00 65.45 H new ATOM 0 HD2 PRO A 45 24.358 -14.918 -17.688 1.00 60.12 H new ATOM 0 HD3 PRO A 45 24.355 -13.280 -18.309 1.00 60.12 H new ATOM 715 N VAL A 46 21.695 -16.428 -21.944 1.00 51.03 N ATOM 716 CA VAL A 46 21.266 -17.758 -22.360 1.00 20.01 C ATOM 717 C VAL A 46 21.407 -17.935 -23.868 1.00 11.24 C ATOM 718 O VAL A 46 20.832 -17.176 -24.648 1.00 62.23 O ATOM 719 CB VAL A 46 19.804 -18.028 -21.957 1.00 1.21 C ATOM 720 CG1 VAL A 46 19.399 -19.445 -22.334 1.00 10.35 C ATOM 721 CG2 VAL A 46 19.609 -17.787 -20.468 1.00 4.15 C ATOM 0 H VAL A 46 21.326 -15.668 -22.516 1.00 51.03 H new ATOM 0 HA VAL A 46 21.913 -18.472 -21.851 1.00 20.01 H new ATOM 0 HB VAL A 46 19.161 -17.336 -22.501 1.00 1.21 H new ATOM 0 HG11 VAL A 46 18.363 -19.617 -22.042 1.00 10.35 H new ATOM 0 HG12 VAL A 46 19.499 -19.577 -23.411 1.00 10.35 H new ATOM 0 HG13 VAL A 46 20.044 -20.157 -21.820 1.00 10.35 H new ATOM 0 HG21 VAL A 46 18.571 -17.982 -20.201 1.00 4.15 H new ATOM 0 HG22 VAL A 46 20.261 -18.454 -19.903 1.00 4.15 H new ATOM 0 HG23 VAL A 46 19.856 -16.752 -20.232 1.00 4.15 H new ATOM 731 N SER A 47 22.175 -18.942 -24.271 1.00 2.24 N ATOM 732 CA SER A 47 22.395 -19.217 -25.686 1.00 13.13 C ATOM 733 C SER A 47 22.545 -20.715 -25.931 1.00 20.31 C ATOM 734 O SER A 47 22.974 -21.473 -25.060 1.00 43.34 O ATOM 735 CB SER A 47 23.640 -18.480 -26.183 1.00 53.11 C ATOM 736 OG SER A 47 23.348 -17.704 -27.332 1.00 53.32 O ATOM 0 H SER A 47 22.655 -19.581 -23.638 1.00 2.24 H new ATOM 0 HA SER A 47 21.526 -18.861 -26.239 1.00 13.13 H new ATOM 0 HB2 SER A 47 24.024 -17.835 -25.393 1.00 53.11 H new ATOM 0 HB3 SER A 47 24.424 -19.200 -26.416 1.00 53.11 H new ATOM 0 HG SER A 47 24.159 -17.241 -27.629 1.00 53.32 H new ATOM 742 N PRO A 48 22.183 -21.154 -27.145 1.00 71.44 N ATOM 743 CA PRO A 48 22.269 -22.565 -27.535 1.00 75.01 C ATOM 744 C PRO A 48 23.710 -23.038 -27.686 1.00 22.31 C ATOM 745 O PRO A 48 23.969 -24.230 -27.853 1.00 61.34 O ATOM 746 CB PRO A 48 21.549 -22.604 -28.885 1.00 73.25 C ATOM 747 CG PRO A 48 21.681 -21.222 -29.426 1.00 20.25 C ATOM 748 CD PRO A 48 21.663 -20.308 -28.232 1.00 53.30 C ATOM 0 HA PRO A 48 21.832 -23.223 -26.784 1.00 75.01 H new ATOM 0 HB2 PRO A 48 22.002 -23.336 -29.554 1.00 73.25 H new ATOM 0 HB3 PRO A 48 20.502 -22.885 -28.767 1.00 73.25 H new ATOM 0 HG2 PRO A 48 22.607 -21.110 -29.990 1.00 20.25 H new ATOM 0 HG3 PRO A 48 20.863 -20.990 -30.108 1.00 20.25 H new ATOM 0 HD2 PRO A 48 22.287 -19.429 -28.390 1.00 53.30 H new ATOM 0 HD3 PRO A 48 20.657 -19.950 -28.016 1.00 53.30 H new ATOM 756 N LYS A 49 24.646 -22.097 -27.625 1.00 63.41 N ATOM 757 CA LYS A 49 26.063 -22.418 -27.753 1.00 41.40 C ATOM 758 C LYS A 49 26.765 -22.330 -26.402 1.00 11.34 C ATOM 759 O LYS A 49 27.700 -23.082 -26.127 1.00 2.55 O ATOM 760 CB LYS A 49 26.733 -21.470 -28.750 1.00 42.33 C ATOM 761 CG LYS A 49 28.132 -21.902 -29.155 1.00 74.53 C ATOM 762 CD LYS A 49 28.100 -22.854 -30.340 1.00 12.22 C ATOM 763 CE LYS A 49 28.258 -24.300 -29.897 1.00 62.42 C ATOM 764 NZ LYS A 49 29.690 -24.679 -29.741 1.00 71.24 N ATOM 0 H LYS A 49 24.449 -21.106 -27.488 1.00 63.41 H new ATOM 0 HA LYS A 49 26.147 -23.441 -28.120 1.00 41.40 H new ATOM 0 HB2 LYS A 49 26.112 -21.397 -29.643 1.00 42.33 H new ATOM 0 HB3 LYS A 49 26.782 -20.473 -28.313 1.00 42.33 H new ATOM 0 HG2 LYS A 49 28.726 -21.024 -29.408 1.00 74.53 H new ATOM 0 HG3 LYS A 49 28.623 -22.386 -28.311 1.00 74.53 H new ATOM 0 HD2 LYS A 49 27.158 -22.737 -30.876 1.00 12.22 H new ATOM 0 HD3 LYS A 49 28.898 -22.596 -31.037 1.00 12.22 H new ATOM 0 HE2 LYS A 49 27.738 -24.449 -28.951 1.00 62.42 H new ATOM 0 HE3 LYS A 49 27.786 -24.957 -30.627 1.00 62.42 H new ATOM 0 HZ1 LYS A 49 29.755 -25.672 -29.438 1.00 71.24 H new ATOM 0 HZ2 LYS A 49 30.181 -24.561 -30.650 1.00 71.24 H new ATOM 0 HZ3 LYS A 49 30.135 -24.069 -29.026 1.00 71.24 H new ATOM 778 N VAL A 50 26.307 -21.408 -25.561 1.00 12.23 N ATOM 779 CA VAL A 50 26.889 -21.224 -24.237 1.00 1.32 C ATOM 780 C VAL A 50 26.366 -22.267 -23.256 1.00 60.44 C ATOM 781 O VAL A 50 26.814 -22.339 -22.112 1.00 52.34 O ATOM 782 CB VAL A 50 26.589 -19.818 -23.682 1.00 62.51 C ATOM 783 CG1 VAL A 50 27.013 -18.750 -24.678 1.00 10.52 C ATOM 784 CG2 VAL A 50 25.113 -19.685 -23.340 1.00 71.02 C ATOM 0 H VAL A 50 25.534 -20.777 -25.773 1.00 12.23 H new ATOM 0 HA VAL A 50 27.967 -21.341 -24.347 1.00 1.32 H new ATOM 0 HB VAL A 50 27.164 -19.676 -22.767 1.00 62.51 H new ATOM 0 HG11 VAL A 50 26.794 -17.764 -24.269 1.00 10.52 H new ATOM 0 HG12 VAL A 50 28.083 -18.834 -24.868 1.00 10.52 H new ATOM 0 HG13 VAL A 50 26.467 -18.886 -25.611 1.00 10.52 H new ATOM 0 HG21 VAL A 50 24.919 -18.686 -22.949 1.00 71.02 H new ATOM 0 HG22 VAL A 50 24.516 -19.846 -24.237 1.00 71.02 H new ATOM 0 HG23 VAL A 50 24.846 -20.427 -22.588 1.00 71.02 H new ATOM 794 N ALA A 51 25.415 -23.076 -23.713 1.00 24.20 N ATOM 795 CA ALA A 51 24.833 -24.118 -22.877 1.00 73.41 C ATOM 796 C ALA A 51 25.911 -25.042 -22.320 1.00 34.10 C ATOM 797 O ALA A 51 26.399 -25.932 -23.015 1.00 32.23 O ATOM 798 CB ALA A 51 23.807 -24.917 -23.668 1.00 23.41 C ATOM 0 H ALA A 51 25.032 -23.029 -24.657 1.00 24.20 H new ATOM 0 HA ALA A 51 24.334 -23.638 -22.036 1.00 73.41 H new ATOM 0 HB1 ALA A 51 23.380 -25.692 -23.031 1.00 23.41 H new ATOM 0 HB2 ALA A 51 23.014 -24.252 -24.012 1.00 23.41 H new ATOM 0 HB3 ALA A 51 24.291 -25.380 -24.528 1.00 23.41 H new ATOM 804 N GLY A 52 26.278 -24.823 -21.061 1.00 22.41 N ATOM 805 CA GLY A 52 27.297 -25.644 -20.432 1.00 51.14 C ATOM 806 C GLY A 52 28.649 -24.960 -20.392 1.00 12.33 C ATOM 807 O GLY A 52 29.680 -25.614 -20.235 1.00 41.25 O ATOM 0 H GLY A 52 25.888 -24.092 -20.466 1.00 22.41 H new ATOM 0 HA2 GLY A 52 26.987 -25.888 -19.416 1.00 51.14 H new ATOM 0 HA3 GLY A 52 27.386 -26.586 -20.973 1.00 51.14 H new ATOM 811 N LYS A 53 28.646 -23.639 -20.534 1.00 40.41 N ATOM 812 CA LYS A 53 29.881 -22.864 -20.513 1.00 40.24 C ATOM 813 C LYS A 53 29.764 -21.678 -19.560 1.00 72.55 C ATOM 814 O LYS A 53 28.712 -21.451 -18.962 1.00 54.43 O ATOM 815 CB LYS A 53 30.220 -22.368 -21.921 1.00 61.41 C ATOM 816 CG LYS A 53 30.555 -23.485 -22.895 1.00 33.13 C ATOM 817 CD LYS A 53 30.430 -23.024 -24.337 1.00 55.40 C ATOM 818 CE LYS A 53 31.386 -21.881 -24.641 1.00 52.35 C ATOM 819 NZ LYS A 53 30.713 -20.555 -24.551 1.00 73.41 N ATOM 0 H LYS A 53 27.801 -23.082 -20.665 1.00 40.41 H new ATOM 0 HA LYS A 53 30.682 -23.514 -20.160 1.00 40.24 H new ATOM 0 HB2 LYS A 53 29.375 -21.799 -22.310 1.00 61.41 H new ATOM 0 HB3 LYS A 53 31.066 -21.683 -21.862 1.00 61.41 H new ATOM 0 HG2 LYS A 53 31.570 -23.837 -22.711 1.00 33.13 H new ATOM 0 HG3 LYS A 53 29.889 -24.330 -22.723 1.00 33.13 H new ATOM 0 HD2 LYS A 53 30.635 -23.859 -25.006 1.00 55.40 H new ATOM 0 HD3 LYS A 53 29.406 -22.705 -24.531 1.00 55.40 H new ATOM 0 HE2 LYS A 53 32.222 -21.912 -23.943 1.00 52.35 H new ATOM 0 HE3 LYS A 53 31.801 -22.011 -25.641 1.00 52.35 H new ATOM 0 HZ1 LYS A 53 31.391 -19.844 -24.210 1.00 73.41 H new ATOM 0 HZ2 LYS A 53 30.365 -20.278 -25.491 1.00 73.41 H new ATOM 0 HZ3 LYS A 53 29.913 -20.616 -23.889 1.00 73.41 H new ATOM 833 N THR A 54 30.850 -20.925 -19.424 1.00 43.42 N ATOM 834 CA THR A 54 30.869 -19.763 -18.545 1.00 0.34 C ATOM 835 C THR A 54 31.287 -18.507 -19.301 1.00 71.02 C ATOM 836 O THR A 54 32.357 -18.464 -19.910 1.00 12.30 O ATOM 837 CB THR A 54 31.825 -19.974 -17.355 1.00 51.23 C ATOM 838 OG1 THR A 54 32.675 -21.099 -17.604 1.00 0.02 O ATOM 839 CG2 THR A 54 31.046 -20.195 -16.068 1.00 11.15 C ATOM 0 H THR A 54 31.729 -21.099 -19.912 1.00 43.42 H new ATOM 0 HA THR A 54 29.854 -19.636 -18.169 1.00 0.34 H new ATOM 0 HB THR A 54 32.434 -19.077 -17.242 1.00 51.23 H new ATOM 0 HG1 THR A 54 33.281 -21.226 -16.844 1.00 0.02 H new ATOM 0 HG21 THR A 54 31.742 -20.342 -15.242 1.00 11.15 H new ATOM 0 HG22 THR A 54 30.422 -19.324 -15.866 1.00 11.15 H new ATOM 0 HG23 THR A 54 30.415 -21.078 -16.172 1.00 11.15 H new ATOM 847 N LEU A 55 30.438 -17.486 -19.259 1.00 34.52 N ATOM 848 CA LEU A 55 30.719 -16.228 -19.940 1.00 44.24 C ATOM 849 C LEU A 55 30.899 -15.093 -18.937 1.00 35.33 C ATOM 850 O LEU A 55 29.937 -14.647 -18.310 1.00 54.42 O ATOM 851 CB LEU A 55 29.590 -15.889 -20.915 1.00 11.44 C ATOM 852 CG LEU A 55 29.908 -16.066 -22.400 1.00 22.45 C ATOM 853 CD1 LEU A 55 28.672 -15.805 -23.246 1.00 33.55 C ATOM 854 CD2 LEU A 55 31.045 -15.145 -22.815 1.00 44.43 C ATOM 0 H LEU A 55 29.549 -17.505 -18.760 1.00 34.52 H new ATOM 0 HA LEU A 55 31.648 -16.346 -20.497 1.00 44.24 H new ATOM 0 HB2 LEU A 55 28.729 -16.511 -20.672 1.00 11.44 H new ATOM 0 HB3 LEU A 55 29.292 -14.854 -20.749 1.00 11.44 H new ATOM 0 HG LEU A 55 30.223 -17.096 -22.564 1.00 22.45 H new ATOM 0 HD11 LEU A 55 28.918 -15.936 -24.300 1.00 33.55 H new ATOM 0 HD12 LEU A 55 27.886 -16.506 -22.967 1.00 33.55 H new ATOM 0 HD13 LEU A 55 28.325 -14.785 -23.078 1.00 33.55 H new ATOM 0 HD21 LEU A 55 31.258 -15.284 -23.875 1.00 44.43 H new ATOM 0 HD22 LEU A 55 30.758 -14.109 -22.636 1.00 44.43 H new ATOM 0 HD23 LEU A 55 31.935 -15.381 -22.232 1.00 44.43 H new ATOM 866 N LEU A 56 32.135 -14.630 -18.790 1.00 52.11 N ATOM 867 CA LEU A 56 32.440 -13.545 -17.864 1.00 4.10 C ATOM 868 C LEU A 56 32.046 -13.918 -16.439 1.00 35.23 C ATOM 869 O LEU A 56 31.842 -13.049 -15.592 1.00 51.02 O ATOM 870 CB LEU A 56 31.715 -12.267 -18.288 1.00 43.50 C ATOM 871 CG LEU A 56 32.054 -11.733 -19.680 1.00 60.25 C ATOM 872 CD1 LEU A 56 31.163 -12.379 -20.731 1.00 3.34 C ATOM 873 CD2 LEU A 56 31.916 -10.218 -19.720 1.00 32.35 C ATOM 0 H LEU A 56 32.942 -14.989 -19.300 1.00 52.11 H new ATOM 0 HA LEU A 56 33.516 -13.370 -17.890 1.00 4.10 H new ATOM 0 HB2 LEU A 56 30.641 -12.450 -18.243 1.00 43.50 H new ATOM 0 HB3 LEU A 56 31.937 -11.488 -17.558 1.00 43.50 H new ATOM 0 HG LEU A 56 33.090 -11.989 -19.903 1.00 60.25 H new ATOM 0 HD11 LEU A 56 31.418 -11.987 -21.715 1.00 3.34 H new ATOM 0 HD12 LEU A 56 31.312 -13.459 -20.721 1.00 3.34 H new ATOM 0 HD13 LEU A 56 30.119 -12.155 -20.511 1.00 3.34 H new ATOM 0 HD21 LEU A 56 32.161 -9.857 -20.719 1.00 32.35 H new ATOM 0 HD22 LEU A 56 30.891 -9.939 -19.475 1.00 32.35 H new ATOM 0 HD23 LEU A 56 32.597 -9.771 -18.995 1.00 32.35 H new ATOM 885 N GLY A 57 31.941 -15.218 -16.180 1.00 21.30 N ATOM 886 CA GLY A 57 31.573 -15.684 -14.856 1.00 3.14 C ATOM 887 C GLY A 57 30.105 -16.049 -14.756 1.00 43.43 C ATOM 888 O GLY A 57 29.627 -16.437 -13.691 1.00 1.21 O ATOM 0 H GLY A 57 32.104 -15.957 -16.864 1.00 21.30 H new ATOM 0 HA2 GLY A 57 32.178 -16.553 -14.599 1.00 3.14 H new ATOM 0 HA3 GLY A 57 31.802 -14.909 -14.125 1.00 3.14 H new ATOM 892 N GLN A 58 29.389 -15.922 -15.869 1.00 1.13 N ATOM 893 CA GLN A 58 27.966 -16.239 -15.901 1.00 23.12 C ATOM 894 C GLN A 58 27.735 -17.650 -16.432 1.00 52.21 C ATOM 895 O GLN A 58 28.342 -18.057 -17.422 1.00 1.00 O ATOM 896 CB GLN A 58 27.216 -15.226 -16.767 1.00 12.33 C ATOM 897 CG GLN A 58 27.109 -13.847 -16.135 1.00 74.12 C ATOM 898 CD GLN A 58 28.282 -12.953 -16.484 1.00 53.53 C ATOM 899 OE1 GLN A 58 28.439 -12.535 -17.632 1.00 12.21 O ATOM 900 NE2 GLN A 58 29.114 -12.653 -15.493 1.00 75.14 N ATOM 0 H GLN A 58 29.771 -15.602 -16.759 1.00 1.13 H new ATOM 0 HA GLN A 58 27.584 -16.187 -14.881 1.00 23.12 H new ATOM 0 HB2 GLN A 58 27.722 -15.138 -17.729 1.00 12.33 H new ATOM 0 HB3 GLN A 58 26.213 -15.604 -16.967 1.00 12.33 H new ATOM 0 HG2 GLN A 58 26.185 -13.372 -16.463 1.00 74.12 H new ATOM 0 HG3 GLN A 58 27.046 -13.952 -15.052 1.00 74.12 H new ATOM 0 HE21 GLN A 58 28.946 -13.021 -14.557 1.00 75.14 H new ATOM 0 HE22 GLN A 58 29.921 -12.054 -15.668 1.00 75.14 H new ATOM 909 N GLN A 59 26.854 -18.390 -15.767 1.00 74.03 N ATOM 910 CA GLN A 59 26.544 -19.756 -16.173 1.00 15.22 C ATOM 911 C GLN A 59 25.695 -19.768 -17.440 1.00 65.14 C ATOM 912 O GLN A 59 24.586 -19.238 -17.462 1.00 13.51 O ATOM 913 CB GLN A 59 25.812 -20.491 -15.048 1.00 52.53 C ATOM 914 CG GLN A 59 25.581 -21.966 -15.335 1.00 11.54 C ATOM 915 CD GLN A 59 26.801 -22.815 -15.040 1.00 23.21 C ATOM 916 OE1 GLN A 59 26.996 -23.273 -13.914 1.00 33.44 O ATOM 917 NE2 GLN A 59 27.632 -23.031 -16.053 1.00 52.43 N ATOM 0 H GLN A 59 26.343 -18.067 -14.946 1.00 74.03 H new ATOM 0 HA GLN A 59 27.483 -20.268 -16.382 1.00 15.22 H new ATOM 0 HB2 GLN A 59 26.387 -20.394 -14.127 1.00 52.53 H new ATOM 0 HB3 GLN A 59 24.850 -20.008 -14.875 1.00 52.53 H new ATOM 0 HG2 GLN A 59 24.742 -22.322 -14.737 1.00 11.54 H new ATOM 0 HG3 GLN A 59 25.301 -22.089 -16.381 1.00 11.54 H new ATOM 0 HE21 GLN A 59 27.432 -22.632 -16.970 1.00 52.43 H new ATOM 0 HE22 GLN A 59 28.470 -23.596 -15.914 1.00 52.43 H new ATOM 926 N GLY A 60 26.227 -20.377 -18.496 1.00 75.42 N ATOM 927 CA GLY A 60 25.505 -20.447 -19.753 1.00 51.34 C ATOM 928 C GLY A 60 24.309 -21.375 -19.685 1.00 32.31 C ATOM 929 O GLY A 60 24.202 -22.196 -18.773 1.00 3.52 O ATOM 0 H GLY A 60 27.144 -20.823 -18.503 1.00 75.42 H new ATOM 0 HA2 GLY A 60 25.170 -19.448 -20.032 1.00 51.34 H new ATOM 0 HA3 GLY A 60 26.181 -20.787 -20.538 1.00 51.34 H new ATOM 933 N TYR A 61 23.406 -21.246 -20.650 1.00 74.12 N ATOM 934 CA TYR A 61 22.209 -22.078 -20.693 1.00 52.25 C ATOM 935 C TYR A 61 21.683 -22.201 -22.120 1.00 74.52 C ATOM 936 O TYR A 61 21.623 -21.219 -22.859 1.00 62.21 O ATOM 937 CB TYR A 61 21.124 -21.494 -19.787 1.00 31.43 C ATOM 938 CG TYR A 61 21.257 -21.910 -18.339 1.00 10.41 C ATOM 939 CD1 TYR A 61 20.840 -23.165 -17.914 1.00 60.04 C ATOM 940 CD2 TYR A 61 21.801 -21.046 -17.396 1.00 32.34 C ATOM 941 CE1 TYR A 61 20.959 -23.548 -16.593 1.00 21.14 C ATOM 942 CE2 TYR A 61 21.925 -21.421 -16.072 1.00 21.42 C ATOM 943 CZ TYR A 61 21.502 -22.673 -15.675 1.00 64.02 C ATOM 944 OH TYR A 61 21.624 -23.051 -14.358 1.00 30.43 O ATOM 0 H TYR A 61 23.480 -20.573 -21.413 1.00 74.12 H new ATOM 0 HA TYR A 61 22.475 -23.073 -20.335 1.00 52.25 H new ATOM 0 HB2 TYR A 61 21.157 -20.406 -19.849 1.00 31.43 H new ATOM 0 HB3 TYR A 61 20.147 -21.804 -20.157 1.00 31.43 H new ATOM 0 HD1 TYR A 61 20.415 -23.853 -18.630 1.00 60.04 H new ATOM 0 HD2 TYR A 61 22.132 -20.065 -17.703 1.00 32.34 H new ATOM 0 HE1 TYR A 61 20.629 -24.527 -16.280 1.00 21.14 H new ATOM 0 HE2 TYR A 61 22.351 -20.738 -15.352 1.00 21.42 H new ATOM 0 HH TYR A 61 22.026 -22.320 -13.844 1.00 30.43 H new ATOM 954 N ALA A 62 21.301 -23.417 -22.500 1.00 1.42 N ATOM 955 CA ALA A 62 20.777 -23.670 -23.836 1.00 62.12 C ATOM 956 C ALA A 62 19.430 -22.985 -24.037 1.00 12.33 C ATOM 957 O ALA A 62 19.047 -22.661 -25.162 1.00 34.54 O ATOM 958 CB ALA A 62 20.651 -25.167 -24.079 1.00 3.14 C ATOM 0 H ALA A 62 21.345 -24.241 -21.901 1.00 1.42 H new ATOM 0 HA ALA A 62 21.478 -23.253 -24.559 1.00 62.12 H new ATOM 0 HB1 ALA A 62 20.258 -25.341 -25.081 1.00 3.14 H new ATOM 0 HB2 ALA A 62 21.631 -25.634 -23.987 1.00 3.14 H new ATOM 0 HB3 ALA A 62 19.973 -25.599 -23.343 1.00 3.14 H new ATOM 964 N THR A 63 18.713 -22.766 -22.939 1.00 1.44 N ATOM 965 CA THR A 63 17.408 -22.120 -22.994 1.00 75.31 C ATOM 966 C THR A 63 16.992 -21.601 -21.622 1.00 42.14 C ATOM 967 O THR A 63 17.419 -22.126 -20.593 1.00 52.20 O ATOM 968 CB THR A 63 16.326 -23.085 -23.514 1.00 75.52 C ATOM 969 OG1 THR A 63 15.037 -22.466 -23.433 1.00 71.33 O ATOM 970 CG2 THR A 63 16.324 -24.379 -22.713 1.00 54.30 C ATOM 0 H THR A 63 19.015 -23.027 -22.000 1.00 1.44 H new ATOM 0 HA THR A 63 17.500 -21.281 -23.684 1.00 75.31 H new ATOM 0 HB THR A 63 16.551 -23.321 -24.554 1.00 75.52 H new ATOM 0 HG1 THR A 63 14.355 -23.085 -23.767 1.00 71.33 H new ATOM 0 HG21 THR A 63 15.552 -25.044 -23.099 1.00 54.30 H new ATOM 0 HG22 THR A 63 17.297 -24.863 -22.801 1.00 54.30 H new ATOM 0 HG23 THR A 63 16.122 -24.158 -21.665 1.00 54.30 H new ATOM 978 N LEU A 64 16.157 -20.568 -21.614 1.00 43.44 N ATOM 979 CA LEU A 64 15.683 -19.977 -20.368 1.00 31.04 C ATOM 980 C LEU A 64 14.832 -20.971 -19.584 1.00 12.35 C ATOM 981 O LEU A 64 14.574 -20.780 -18.396 1.00 32.15 O ATOM 982 CB LEU A 64 14.874 -18.711 -20.655 1.00 60.04 C ATOM 983 CG LEU A 64 13.828 -18.821 -21.765 1.00 14.11 C ATOM 984 CD1 LEU A 64 12.529 -18.152 -21.342 1.00 10.11 C ATOM 985 CD2 LEU A 64 14.351 -18.206 -23.055 1.00 1.24 C ATOM 0 H LEU A 64 15.794 -20.122 -22.457 1.00 43.44 H new ATOM 0 HA LEU A 64 16.553 -19.715 -19.765 1.00 31.04 H new ATOM 0 HB2 LEU A 64 14.370 -18.410 -19.737 1.00 60.04 H new ATOM 0 HB3 LEU A 64 15.568 -17.911 -20.915 1.00 60.04 H new ATOM 0 HG LEU A 64 13.628 -19.877 -21.945 1.00 14.11 H new ATOM 0 HD11 LEU A 64 11.796 -18.240 -22.144 1.00 10.11 H new ATOM 0 HD12 LEU A 64 12.145 -18.638 -20.445 1.00 10.11 H new ATOM 0 HD13 LEU A 64 12.714 -17.098 -21.133 1.00 10.11 H new ATOM 0 HD21 LEU A 64 13.593 -18.294 -23.833 1.00 1.24 H new ATOM 0 HD22 LEU A 64 14.581 -17.153 -22.889 1.00 1.24 H new ATOM 0 HD23 LEU A 64 15.254 -18.730 -23.368 1.00 1.24 H new ATOM 997 N ALA A 65 14.400 -22.033 -20.256 1.00 44.54 N ATOM 998 CA ALA A 65 13.582 -23.058 -19.622 1.00 23.43 C ATOM 999 C ALA A 65 14.449 -24.171 -19.041 1.00 42.51 C ATOM 1000 O ALA A 65 13.948 -25.231 -18.669 1.00 35.33 O ATOM 1001 CB ALA A 65 12.585 -23.630 -20.619 1.00 2.12 C ATOM 0 H ALA A 65 14.604 -22.205 -21.240 1.00 44.54 H new ATOM 0 HA ALA A 65 13.034 -22.594 -18.802 1.00 23.43 H new ATOM 0 HB1 ALA A 65 11.981 -24.395 -20.131 1.00 2.12 H new ATOM 0 HB2 ALA A 65 11.937 -22.833 -20.983 1.00 2.12 H new ATOM 0 HB3 ALA A 65 13.122 -24.073 -21.458 1.00 2.12 H new ATOM 1007 N ASP A 66 15.752 -23.921 -18.968 1.00 31.34 N ATOM 1008 CA ASP A 66 16.689 -24.902 -18.432 1.00 10.12 C ATOM 1009 C ASP A 66 17.308 -24.407 -17.128 1.00 54.43 C ATOM 1010 O ASP A 66 17.826 -25.194 -16.337 1.00 3.25 O ATOM 1011 CB ASP A 66 17.789 -25.199 -19.452 1.00 52.33 C ATOM 1012 CG ASP A 66 18.835 -26.155 -18.914 1.00 70.04 C ATOM 1013 OD1 ASP A 66 18.473 -27.038 -18.109 1.00 0.31 O ATOM 1014 OD2 ASP A 66 20.016 -26.020 -19.298 1.00 71.34 O ATOM 0 H ASP A 66 16.183 -23.048 -19.273 1.00 31.34 H new ATOM 0 HA ASP A 66 16.137 -25.819 -18.226 1.00 10.12 H new ATOM 0 HB2 ASP A 66 17.342 -25.623 -20.351 1.00 52.33 H new ATOM 0 HB3 ASP A 66 18.270 -24.266 -19.745 1.00 52.33 H new ATOM 1019 N VAL A 67 17.250 -23.096 -16.912 1.00 60.31 N ATOM 1020 CA VAL A 67 17.804 -22.496 -15.705 1.00 5.52 C ATOM 1021 C VAL A 67 16.807 -22.554 -14.554 1.00 34.23 C ATOM 1022 O VAL A 67 15.629 -22.228 -14.703 1.00 11.10 O ATOM 1023 CB VAL A 67 18.211 -21.029 -15.943 1.00 73.13 C ATOM 1024 CG1 VAL A 67 17.017 -20.215 -16.419 1.00 2.34 C ATOM 1025 CG2 VAL A 67 18.806 -20.429 -14.679 1.00 23.24 C ATOM 0 H VAL A 67 16.825 -22.430 -17.557 1.00 60.31 H new ATOM 0 HA VAL A 67 18.690 -23.074 -15.443 1.00 5.52 H new ATOM 0 HB VAL A 67 18.973 -21.003 -16.722 1.00 73.13 H new ATOM 0 HG11 VAL A 67 17.323 -19.182 -16.582 1.00 2.34 H new ATOM 0 HG12 VAL A 67 16.640 -20.633 -17.352 1.00 2.34 H new ATOM 0 HG13 VAL A 67 16.231 -20.246 -15.664 1.00 2.34 H new ATOM 0 HG21 VAL A 67 19.088 -19.393 -14.866 1.00 23.24 H new ATOM 0 HG22 VAL A 67 18.069 -20.466 -13.877 1.00 23.24 H new ATOM 0 HG23 VAL A 67 19.689 -20.998 -14.387 1.00 23.24 H new ATOM 1035 N PRO A 68 17.287 -22.980 -13.376 1.00 13.22 N ATOM 1036 CA PRO A 68 16.453 -23.090 -12.175 1.00 24.42 C ATOM 1037 C PRO A 68 16.043 -21.728 -11.626 1.00 71.05 C ATOM 1038 O PRO A 68 14.896 -21.530 -11.228 1.00 11.05 O ATOM 1039 CB PRO A 68 17.361 -23.816 -11.179 1.00 23.22 C ATOM 1040 CG PRO A 68 18.746 -23.499 -11.627 1.00 50.25 C ATOM 1041 CD PRO A 68 18.680 -23.385 -13.125 1.00 60.14 C ATOM 0 HA PRO A 68 15.516 -23.609 -12.376 1.00 24.42 H new ATOM 0 HB2 PRO A 68 17.186 -23.471 -10.160 1.00 23.22 H new ATOM 0 HB3 PRO A 68 17.178 -24.891 -11.188 1.00 23.22 H new ATOM 0 HG2 PRO A 68 19.098 -22.569 -11.180 1.00 50.25 H new ATOM 0 HG3 PRO A 68 19.443 -24.281 -11.325 1.00 50.25 H new ATOM 0 HD2 PRO A 68 19.387 -22.647 -13.503 1.00 60.14 H new ATOM 0 HD3 PRO A 68 18.917 -24.332 -13.611 1.00 60.14 H new ATOM 1049 N GLU A 69 16.987 -20.793 -11.611 1.00 3.54 N ATOM 1050 CA GLU A 69 16.722 -19.449 -11.110 1.00 41.34 C ATOM 1051 C GLU A 69 15.704 -18.731 -11.992 1.00 60.20 C ATOM 1052 O GLU A 69 15.694 -18.899 -13.212 1.00 11.23 O ATOM 1053 CB GLU A 69 18.019 -18.639 -11.047 1.00 52.00 C ATOM 1054 CG GLU A 69 17.854 -17.276 -10.396 1.00 21.01 C ATOM 1055 CD GLU A 69 19.180 -16.653 -10.004 1.00 53.40 C ATOM 1056 OE1 GLU A 69 20.205 -16.997 -10.627 1.00 64.31 O ATOM 1057 OE2 GLU A 69 19.191 -15.819 -9.074 1.00 33.43 O ATOM 0 H GLU A 69 17.941 -20.941 -11.940 1.00 3.54 H new ATOM 0 HA GLU A 69 16.309 -19.538 -10.105 1.00 41.34 H new ATOM 0 HB2 GLU A 69 18.766 -19.208 -10.494 1.00 52.00 H new ATOM 0 HB3 GLU A 69 18.404 -18.505 -12.058 1.00 52.00 H new ATOM 0 HG2 GLU A 69 17.333 -16.610 -11.083 1.00 21.01 H new ATOM 0 HG3 GLU A 69 17.227 -17.374 -9.510 1.00 21.01 H new ATOM 1064 N LYS A 70 14.848 -17.931 -11.366 1.00 32.02 N ATOM 1065 CA LYS A 70 13.825 -17.186 -12.091 1.00 23.30 C ATOM 1066 C LYS A 70 14.236 -15.728 -12.265 1.00 55.44 C ATOM 1067 O LYS A 70 14.572 -15.047 -11.296 1.00 53.34 O ATOM 1068 CB LYS A 70 12.487 -17.266 -11.353 1.00 22.13 C ATOM 1069 CG LYS A 70 12.116 -18.673 -10.917 1.00 11.11 C ATOM 1070 CD LYS A 70 10.828 -18.685 -10.110 1.00 61.34 C ATOM 1071 CE LYS A 70 10.678 -19.976 -9.320 1.00 1.24 C ATOM 1072 NZ LYS A 70 9.730 -19.822 -8.181 1.00 44.22 N ATOM 0 H LYS A 70 14.842 -17.782 -10.357 1.00 32.02 H new ATOM 0 HA LYS A 70 13.715 -17.635 -13.078 1.00 23.30 H new ATOM 0 HB2 LYS A 70 12.527 -16.621 -10.475 1.00 22.13 H new ATOM 0 HB3 LYS A 70 11.701 -16.876 -12.000 1.00 22.13 H new ATOM 0 HG2 LYS A 70 12.002 -19.309 -11.795 1.00 11.11 H new ATOM 0 HG3 LYS A 70 12.924 -19.095 -10.320 1.00 11.11 H new ATOM 0 HD2 LYS A 70 10.817 -17.836 -9.427 1.00 61.34 H new ATOM 0 HD3 LYS A 70 9.976 -18.566 -10.780 1.00 61.34 H new ATOM 0 HE2 LYS A 70 10.326 -20.768 -9.981 1.00 1.24 H new ATOM 0 HE3 LYS A 70 11.652 -20.286 -8.942 1.00 1.24 H new ATOM 0 HZ1 LYS A 70 9.655 -20.723 -7.667 1.00 44.22 H new ATOM 0 HZ2 LYS A 70 10.079 -19.084 -7.536 1.00 44.22 H new ATOM 0 HZ3 LYS A 70 8.793 -19.551 -8.543 1.00 44.22 H new ATOM 1086 N VAL A 71 14.204 -15.253 -13.507 1.00 24.13 N ATOM 1087 CA VAL A 71 14.570 -13.874 -13.807 1.00 64.25 C ATOM 1088 C VAL A 71 13.421 -12.921 -13.500 1.00 40.11 C ATOM 1089 O VAL A 71 12.253 -13.259 -13.690 1.00 73.24 O ATOM 1090 CB VAL A 71 14.978 -13.711 -15.284 1.00 14.21 C ATOM 1091 CG1 VAL A 71 13.768 -13.869 -16.192 1.00 72.32 C ATOM 1092 CG2 VAL A 71 15.648 -12.363 -15.505 1.00 60.43 C ATOM 0 H VAL A 71 13.928 -15.803 -14.321 1.00 24.13 H new ATOM 0 HA VAL A 71 15.421 -13.627 -13.173 1.00 64.25 H new ATOM 0 HB VAL A 71 15.695 -14.493 -15.534 1.00 14.21 H new ATOM 0 HG11 VAL A 71 14.075 -13.751 -17.231 1.00 72.32 H new ATOM 0 HG12 VAL A 71 13.335 -14.859 -16.052 1.00 72.32 H new ATOM 0 HG13 VAL A 71 13.026 -13.110 -15.944 1.00 72.32 H new ATOM 0 HG21 VAL A 71 15.930 -12.264 -16.553 1.00 60.43 H new ATOM 0 HG22 VAL A 71 14.956 -11.564 -15.239 1.00 60.43 H new ATOM 0 HG23 VAL A 71 16.539 -12.293 -14.882 1.00 60.43 H new ATOM 1102 N ASP A 72 13.760 -11.728 -13.025 1.00 4.15 N ATOM 1103 CA ASP A 72 12.757 -10.724 -12.692 1.00 13.41 C ATOM 1104 C ASP A 72 12.554 -9.753 -13.851 1.00 61.13 C ATOM 1105 O ASP A 72 11.464 -9.214 -14.039 1.00 72.21 O ATOM 1106 CB ASP A 72 13.169 -9.957 -11.435 1.00 11.45 C ATOM 1107 CG ASP A 72 12.410 -10.412 -10.204 1.00 14.32 C ATOM 1108 OD1 ASP A 72 12.807 -11.434 -9.606 1.00 51.53 O ATOM 1109 OD2 ASP A 72 11.418 -9.746 -9.839 1.00 35.54 O ATOM 0 H ASP A 72 14.723 -11.432 -12.862 1.00 4.15 H new ATOM 0 HA ASP A 72 11.815 -11.238 -12.502 1.00 13.41 H new ATOM 0 HB2 ASP A 72 14.238 -10.087 -11.268 1.00 11.45 H new ATOM 0 HB3 ASP A 72 12.998 -8.892 -11.591 1.00 11.45 H new ATOM 1114 N MET A 73 13.612 -9.534 -14.625 1.00 63.51 N ATOM 1115 CA MET A 73 13.550 -8.629 -15.766 1.00 50.43 C ATOM 1116 C MET A 73 14.320 -9.197 -16.954 1.00 52.12 C ATOM 1117 O MET A 73 15.528 -9.418 -16.875 1.00 63.11 O ATOM 1118 CB MET A 73 14.113 -7.257 -15.388 1.00 20.54 C ATOM 1119 CG MET A 73 13.794 -6.169 -16.399 1.00 50.14 C ATOM 1120 SD MET A 73 13.736 -4.526 -15.658 1.00 24.42 S ATOM 1121 CE MET A 73 15.356 -3.900 -16.096 1.00 50.14 C ATOM 0 H MET A 73 14.522 -9.971 -14.482 1.00 63.51 H new ATOM 0 HA MET A 73 12.504 -8.518 -16.053 1.00 50.43 H new ATOM 0 HB2 MET A 73 13.715 -6.966 -14.416 1.00 20.54 H new ATOM 0 HB3 MET A 73 15.195 -7.335 -15.280 1.00 20.54 H new ATOM 0 HG2 MET A 73 14.545 -6.181 -17.189 1.00 50.14 H new ATOM 0 HG3 MET A 73 12.835 -6.385 -16.869 1.00 50.14 H new ATOM 0 HE1 MET A 73 15.473 -2.889 -15.707 1.00 50.14 H new ATOM 0 HE2 MET A 73 16.123 -4.545 -15.667 1.00 50.14 H new ATOM 0 HE3 MET A 73 15.459 -3.885 -17.181 1.00 50.14 H new ATOM 1131 N VAL A 74 13.612 -9.432 -18.055 1.00 2.22 N ATOM 1132 CA VAL A 74 14.229 -9.974 -19.259 1.00 45.34 C ATOM 1133 C VAL A 74 14.500 -8.874 -20.280 1.00 61.34 C ATOM 1134 O VAL A 74 13.589 -8.155 -20.689 1.00 53.24 O ATOM 1135 CB VAL A 74 13.343 -11.054 -19.907 1.00 52.22 C ATOM 1136 CG1 VAL A 74 13.991 -11.587 -21.176 1.00 1.23 C ATOM 1137 CG2 VAL A 74 13.072 -12.181 -18.923 1.00 22.35 C ATOM 0 H VAL A 74 12.611 -9.255 -18.137 1.00 2.22 H new ATOM 0 HA VAL A 74 15.174 -10.425 -18.955 1.00 45.34 H new ATOM 0 HB VAL A 74 12.389 -10.602 -20.178 1.00 52.22 H new ATOM 0 HG11 VAL A 74 13.350 -12.349 -21.619 1.00 1.23 H new ATOM 0 HG12 VAL A 74 14.128 -10.771 -21.885 1.00 1.23 H new ATOM 0 HG13 VAL A 74 14.960 -12.024 -20.934 1.00 1.23 H new ATOM 0 HG21 VAL A 74 12.444 -12.935 -19.398 1.00 22.35 H new ATOM 0 HG22 VAL A 74 14.016 -12.633 -18.619 1.00 22.35 H new ATOM 0 HG23 VAL A 74 12.561 -11.783 -18.046 1.00 22.35 H new ATOM 1147 N ASP A 75 15.758 -8.750 -20.688 1.00 62.55 N ATOM 1148 CA ASP A 75 16.150 -7.739 -21.664 1.00 34.42 C ATOM 1149 C ASP A 75 16.426 -8.374 -23.023 1.00 50.12 C ATOM 1150 O ASP A 75 16.997 -9.461 -23.108 1.00 73.50 O ATOM 1151 CB ASP A 75 17.388 -6.984 -21.178 1.00 70.33 C ATOM 1152 CG ASP A 75 17.182 -6.348 -19.818 1.00 32.23 C ATOM 1153 OD1 ASP A 75 16.040 -6.386 -19.312 1.00 4.43 O ATOM 1154 OD2 ASP A 75 18.162 -5.814 -19.258 1.00 51.14 O ATOM 0 H ASP A 75 16.524 -9.337 -20.358 1.00 62.55 H new ATOM 0 HA ASP A 75 15.325 -7.035 -21.773 1.00 34.42 H new ATOM 0 HB2 ASP A 75 18.233 -7.671 -21.130 1.00 70.33 H new ATOM 0 HB3 ASP A 75 17.646 -6.211 -21.902 1.00 70.33 H new ATOM 1159 N VAL A 76 16.016 -7.688 -24.085 1.00 42.43 N ATOM 1160 CA VAL A 76 16.219 -8.184 -25.441 1.00 45.32 C ATOM 1161 C VAL A 76 17.022 -7.191 -26.275 1.00 25.52 C ATOM 1162 O VAL A 76 16.579 -6.070 -26.522 1.00 1.33 O ATOM 1163 CB VAL A 76 14.878 -8.461 -26.145 1.00 15.44 C ATOM 1164 CG1 VAL A 76 15.108 -9.131 -27.490 1.00 42.13 C ATOM 1165 CG2 VAL A 76 13.980 -9.314 -25.261 1.00 72.05 C ATOM 0 H VAL A 76 15.541 -6.787 -24.032 1.00 42.43 H new ATOM 0 HA VAL A 76 16.775 -9.117 -25.356 1.00 45.32 H new ATOM 0 HB VAL A 76 14.377 -7.509 -26.323 1.00 15.44 H new ATOM 0 HG11 VAL A 76 14.148 -9.319 -27.972 1.00 42.13 H new ATOM 0 HG12 VAL A 76 15.711 -8.479 -28.123 1.00 42.13 H new ATOM 0 HG13 VAL A 76 15.630 -10.076 -27.341 1.00 42.13 H new ATOM 0 HG21 VAL A 76 13.036 -9.501 -25.773 1.00 72.05 H new ATOM 0 HG22 VAL A 76 14.472 -10.263 -25.050 1.00 72.05 H new ATOM 0 HG23 VAL A 76 13.787 -8.790 -24.325 1.00 72.05 H new ATOM 1175 N PHE A 77 18.207 -7.612 -26.707 1.00 33.21 N ATOM 1176 CA PHE A 77 19.073 -6.760 -27.513 1.00 60.32 C ATOM 1177 C PHE A 77 19.346 -7.395 -28.874 1.00 1.22 C ATOM 1178 O PHE A 77 19.906 -6.758 -29.767 1.00 33.15 O ATOM 1179 CB PHE A 77 20.393 -6.503 -26.784 1.00 22.13 C ATOM 1180 CG PHE A 77 20.215 -6.056 -25.361 1.00 34.11 C ATOM 1181 CD1 PHE A 77 20.130 -6.983 -24.335 1.00 32.31 C ATOM 1182 CD2 PHE A 77 20.131 -4.708 -25.050 1.00 30.54 C ATOM 1183 CE1 PHE A 77 19.966 -6.575 -23.025 1.00 32.45 C ATOM 1184 CE2 PHE A 77 19.967 -4.295 -23.741 1.00 45.42 C ATOM 1185 CZ PHE A 77 19.884 -5.229 -22.728 1.00 35.15 C ATOM 0 H PHE A 77 18.589 -8.538 -26.512 1.00 33.21 H new ATOM 0 HA PHE A 77 18.562 -5.810 -27.670 1.00 60.32 H new ATOM 0 HB2 PHE A 77 20.990 -7.415 -26.798 1.00 22.13 H new ATOM 0 HB3 PHE A 77 20.957 -5.744 -27.327 1.00 22.13 H new ATOM 0 HD1 PHE A 77 20.193 -8.037 -24.562 1.00 32.31 H new ATOM 0 HD2 PHE A 77 20.194 -3.973 -25.838 1.00 30.54 H new ATOM 0 HE1 PHE A 77 19.902 -7.308 -22.234 1.00 32.45 H new ATOM 0 HE2 PHE A 77 19.904 -3.242 -23.511 1.00 45.42 H new ATOM 0 HZ PHE A 77 19.755 -4.908 -21.705 1.00 35.15 H new ATOM 1195 N ARG A 78 18.947 -8.654 -29.024 1.00 2.34 N ATOM 1196 CA ARG A 78 19.150 -9.376 -30.274 1.00 1.22 C ATOM 1197 C ARG A 78 18.620 -8.572 -31.458 1.00 25.21 C ATOM 1198 O ARG A 78 19.382 -8.160 -32.331 1.00 64.14 O ATOM 1199 CB ARG A 78 18.458 -10.739 -30.218 1.00 52.13 C ATOM 1200 CG ARG A 78 19.141 -11.732 -29.292 1.00 51.41 C ATOM 1201 CD ARG A 78 18.279 -12.964 -29.063 1.00 3.51 C ATOM 1202 NE ARG A 78 17.742 -13.496 -30.312 1.00 52.32 N ATOM 1203 CZ ARG A 78 18.464 -14.184 -31.189 1.00 3.10 C ATOM 1204 NH1 ARG A 78 19.747 -14.423 -30.954 1.00 2.51 N ATOM 1205 NH2 ARG A 78 17.904 -14.636 -32.304 1.00 14.54 N ATOM 0 H ARG A 78 18.481 -9.195 -28.295 1.00 2.34 H new ATOM 0 HA ARG A 78 20.221 -9.525 -30.409 1.00 1.22 H new ATOM 0 HB2 ARG A 78 17.427 -10.600 -29.891 1.00 52.13 H new ATOM 0 HB3 ARG A 78 18.420 -11.159 -31.223 1.00 52.13 H new ATOM 0 HG2 ARG A 78 20.098 -12.031 -29.719 1.00 51.41 H new ATOM 0 HG3 ARG A 78 19.354 -11.253 -28.336 1.00 51.41 H new ATOM 0 HD2 ARG A 78 18.871 -13.733 -28.566 1.00 3.51 H new ATOM 0 HD3 ARG A 78 17.457 -12.712 -28.393 1.00 3.51 H new ATOM 0 HE ARG A 78 16.758 -13.330 -30.523 1.00 52.32 H new ATOM 0 HH11 ARG A 78 20.182 -14.078 -30.098 1.00 2.51 H new ATOM 0 HH12 ARG A 78 20.299 -14.952 -31.629 1.00 2.51 H new ATOM 0 HH21 ARG A 78 16.917 -14.455 -32.489 1.00 14.54 H new ATOM 0 HH22 ARG A 78 18.460 -15.164 -32.976 1.00 14.54 H new ATOM 1219 N ASN A 79 17.310 -8.354 -31.479 1.00 75.15 N ATOM 1220 CA ASN A 79 16.678 -7.601 -32.557 1.00 13.13 C ATOM 1221 C ASN A 79 15.187 -7.417 -32.290 1.00 52.10 C ATOM 1222 O ASN A 79 14.655 -7.925 -31.303 1.00 71.22 O ATOM 1223 CB ASN A 79 16.884 -8.314 -33.895 1.00 13.14 C ATOM 1224 CG ASN A 79 16.924 -7.349 -35.064 1.00 11.01 C ATOM 1225 OD1 ASN A 79 15.904 -7.085 -35.700 1.00 52.15 O ATOM 1226 ND2 ASN A 79 18.106 -6.818 -35.352 1.00 3.41 N ATOM 0 H ASN A 79 16.665 -8.688 -30.763 1.00 75.15 H new ATOM 0 HA ASN A 79 17.145 -6.617 -32.602 1.00 13.13 H new ATOM 0 HB2 ASN A 79 17.815 -8.880 -33.862 1.00 13.14 H new ATOM 0 HB3 ASN A 79 16.079 -9.033 -34.048 1.00 13.14 H new ATOM 0 HD21 ASN A 79 18.195 -6.162 -36.128 1.00 3.41 H new ATOM 0 HD22 ASN A 79 18.925 -7.066 -34.797 1.00 3.41 H new ATOM 1233 N SER A 80 14.518 -6.687 -33.177 1.00 62.12 N ATOM 1234 CA SER A 80 13.089 -6.433 -33.036 1.00 62.05 C ATOM 1235 C SER A 80 12.289 -7.721 -33.206 1.00 21.01 C ATOM 1236 O SER A 80 11.512 -8.101 -32.330 1.00 45.14 O ATOM 1237 CB SER A 80 12.631 -5.396 -34.063 1.00 54.41 C ATOM 1238 OG SER A 80 13.089 -5.727 -35.363 1.00 13.15 O ATOM 0 H SER A 80 14.943 -6.261 -34.001 1.00 62.12 H new ATOM 0 HA SER A 80 12.911 -6.045 -32.033 1.00 62.05 H new ATOM 0 HB2 SER A 80 11.543 -5.335 -34.062 1.00 54.41 H new ATOM 0 HB3 SER A 80 13.005 -4.412 -33.782 1.00 54.41 H new ATOM 0 HG SER A 80 12.781 -5.049 -36.001 1.00 13.15 H new ATOM 1244 N GLU A 81 12.486 -8.388 -34.339 1.00 52.31 N ATOM 1245 CA GLU A 81 11.782 -9.633 -34.624 1.00 41.41 C ATOM 1246 C GLU A 81 12.039 -10.665 -33.530 1.00 74.34 C ATOM 1247 O GLU A 81 11.210 -11.540 -33.281 1.00 71.35 O ATOM 1248 CB GLU A 81 12.217 -10.191 -35.981 1.00 22.35 C ATOM 1249 CG GLU A 81 11.839 -9.303 -37.154 1.00 60.52 C ATOM 1250 CD GLU A 81 11.752 -10.069 -38.460 1.00 40.23 C ATOM 1251 OE1 GLU A 81 12.172 -11.244 -38.489 1.00 63.21 O ATOM 1252 OE2 GLU A 81 11.263 -9.491 -39.454 1.00 31.40 O ATOM 0 H GLU A 81 13.127 -8.087 -35.074 1.00 52.31 H new ATOM 0 HA GLU A 81 10.714 -9.419 -34.653 1.00 41.41 H new ATOM 0 HB2 GLU A 81 13.298 -10.332 -35.977 1.00 22.35 H new ATOM 0 HB3 GLU A 81 11.768 -11.174 -36.121 1.00 22.35 H new ATOM 0 HG2 GLU A 81 10.879 -8.828 -36.951 1.00 60.52 H new ATOM 0 HG3 GLU A 81 12.575 -8.505 -37.253 1.00 60.52 H new ATOM 1259 N ALA A 82 13.193 -10.556 -32.881 1.00 61.51 N ATOM 1260 CA ALA A 82 13.559 -11.479 -31.814 1.00 1.15 C ATOM 1261 C ALA A 82 12.705 -11.248 -30.572 1.00 33.03 C ATOM 1262 O ALA A 82 12.372 -12.189 -29.852 1.00 73.22 O ATOM 1263 CB ALA A 82 15.035 -11.335 -31.475 1.00 25.31 C ATOM 0 H ALA A 82 13.891 -9.838 -33.075 1.00 61.51 H new ATOM 0 HA ALA A 82 13.375 -12.494 -32.166 1.00 1.15 H new ATOM 0 HB1 ALA A 82 15.294 -12.030 -30.677 1.00 25.31 H new ATOM 0 HB2 ALA A 82 15.634 -11.556 -32.358 1.00 25.31 H new ATOM 0 HB3 ALA A 82 15.235 -10.315 -31.147 1.00 25.31 H new ATOM 1269 N ALA A 83 12.354 -9.990 -30.326 1.00 52.00 N ATOM 1270 CA ALA A 83 11.537 -9.636 -29.172 1.00 22.13 C ATOM 1271 C ALA A 83 10.273 -10.487 -29.112 1.00 23.22 C ATOM 1272 O ALA A 83 9.816 -10.860 -28.032 1.00 34.04 O ATOM 1273 CB ALA A 83 11.179 -8.158 -29.212 1.00 1.13 C ATOM 0 H ALA A 83 12.623 -9.199 -30.911 1.00 52.00 H new ATOM 0 HA ALA A 83 12.119 -9.833 -28.272 1.00 22.13 H new ATOM 0 HB1 ALA A 83 10.569 -7.908 -28.344 1.00 1.13 H new ATOM 0 HB2 ALA A 83 12.092 -7.562 -29.198 1.00 1.13 H new ATOM 0 HB3 ALA A 83 10.620 -7.944 -30.123 1.00 1.13 H new ATOM 1279 N TRP A 84 9.714 -10.790 -30.278 1.00 1.03 N ATOM 1280 CA TRP A 84 8.502 -11.597 -30.357 1.00 13.10 C ATOM 1281 C TRP A 84 8.777 -13.036 -29.933 1.00 54.54 C ATOM 1282 O TRP A 84 8.100 -13.575 -29.059 1.00 5.04 O ATOM 1283 CB TRP A 84 7.938 -11.570 -31.779 1.00 4.43 C ATOM 1284 CG TRP A 84 6.794 -12.515 -31.982 1.00 74.44 C ATOM 1285 CD1 TRP A 84 6.873 -13.843 -32.295 1.00 14.53 C ATOM 1286 CD2 TRP A 84 5.399 -12.205 -31.890 1.00 30.24 C ATOM 1287 NE1 TRP A 84 5.611 -14.376 -32.402 1.00 32.12 N ATOM 1288 CE2 TRP A 84 4.690 -13.392 -32.157 1.00 75.50 C ATOM 1289 CE3 TRP A 84 4.680 -11.041 -31.605 1.00 24.12 C ATOM 1290 CZ2 TRP A 84 3.298 -13.446 -32.149 1.00 3.24 C ATOM 1291 CZ3 TRP A 84 3.300 -11.096 -31.597 1.00 53.41 C ATOM 1292 CH2 TRP A 84 2.620 -12.291 -31.867 1.00 23.13 C ATOM 0 H TRP A 84 10.080 -10.489 -31.181 1.00 1.03 H new ATOM 0 HA TRP A 84 7.767 -11.171 -29.674 1.00 13.10 H new ATOM 0 HB2 TRP A 84 7.609 -10.557 -32.013 1.00 4.43 H new ATOM 0 HB3 TRP A 84 8.733 -11.817 -32.482 1.00 4.43 H new ATOM 0 HD1 TRP A 84 7.792 -14.392 -32.437 1.00 14.53 H new ATOM 0 HE1 TRP A 84 5.395 -15.347 -32.627 1.00 32.12 H new ATOM 0 HE3 TRP A 84 5.194 -10.115 -31.395 1.00 24.12 H new ATOM 0 HZ2 TRP A 84 2.773 -14.366 -32.358 1.00 3.24 H new ATOM 0 HZ3 TRP A 84 2.735 -10.202 -31.379 1.00 53.41 H new ATOM 0 HH2 TRP A 84 1.540 -12.301 -31.852 1.00 23.13 H new ATOM 1303 N GLY A 85 9.774 -13.652 -30.560 1.00 23.32 N ATOM 1304 CA GLY A 85 10.120 -15.023 -30.233 1.00 64.32 C ATOM 1305 C GLY A 85 10.568 -15.181 -28.794 1.00 21.04 C ATOM 1306 O GLY A 85 10.329 -16.216 -28.171 1.00 64.24 O ATOM 0 H GLY A 85 10.348 -13.227 -31.288 1.00 23.32 H new ATOM 0 HA2 GLY A 85 9.258 -15.665 -30.414 1.00 64.32 H new ATOM 0 HA3 GLY A 85 10.915 -15.362 -30.897 1.00 64.32 H new ATOM 1310 N VAL A 86 11.221 -14.152 -28.262 1.00 61.34 N ATOM 1311 CA VAL A 86 11.704 -14.181 -26.887 1.00 62.30 C ATOM 1312 C VAL A 86 10.577 -13.891 -25.902 1.00 71.24 C ATOM 1313 O VAL A 86 10.523 -14.469 -24.817 1.00 3.50 O ATOM 1314 CB VAL A 86 12.837 -13.161 -26.668 1.00 61.04 C ATOM 1315 CG1 VAL A 86 13.309 -13.188 -25.223 1.00 34.05 C ATOM 1316 CG2 VAL A 86 13.992 -13.436 -27.620 1.00 10.04 C ATOM 0 H VAL A 86 11.427 -13.288 -28.763 1.00 61.34 H new ATOM 0 HA VAL A 86 12.089 -15.185 -26.709 1.00 62.30 H new ATOM 0 HB VAL A 86 12.450 -12.164 -26.880 1.00 61.04 H new ATOM 0 HG11 VAL A 86 14.110 -12.461 -25.088 1.00 34.05 H new ATOM 0 HG12 VAL A 86 12.477 -12.939 -24.564 1.00 34.05 H new ATOM 0 HG13 VAL A 86 13.679 -14.184 -24.980 1.00 34.05 H new ATOM 0 HG21 VAL A 86 14.784 -12.706 -27.452 1.00 10.04 H new ATOM 0 HG22 VAL A 86 14.379 -14.439 -27.442 1.00 10.04 H new ATOM 0 HG23 VAL A 86 13.641 -13.360 -28.649 1.00 10.04 H new ATOM 1326 N ALA A 87 9.677 -12.993 -26.289 1.00 42.15 N ATOM 1327 CA ALA A 87 8.549 -12.628 -25.442 1.00 51.20 C ATOM 1328 C ALA A 87 7.650 -13.831 -25.176 1.00 40.42 C ATOM 1329 O ALA A 87 7.293 -14.108 -24.032 1.00 31.32 O ATOM 1330 CB ALA A 87 7.751 -11.501 -26.082 1.00 20.30 C ATOM 0 H ALA A 87 9.708 -12.505 -27.184 1.00 42.15 H new ATOM 0 HA ALA A 87 8.942 -12.283 -24.486 1.00 51.20 H new ATOM 0 HB1 ALA A 87 6.911 -11.239 -25.438 1.00 20.30 H new ATOM 0 HB2 ALA A 87 8.393 -10.630 -26.214 1.00 20.30 H new ATOM 0 HB3 ALA A 87 7.376 -11.826 -27.053 1.00 20.30 H new ATOM 1336 N GLN A 88 7.288 -14.540 -26.241 1.00 11.55 N ATOM 1337 CA GLN A 88 6.429 -15.712 -26.121 1.00 2.22 C ATOM 1338 C GLN A 88 7.051 -16.749 -25.191 1.00 75.24 C ATOM 1339 O GLN A 88 6.365 -17.335 -24.354 1.00 2.43 O ATOM 1340 CB GLN A 88 6.178 -16.329 -27.498 1.00 11.13 C ATOM 1341 CG GLN A 88 7.452 -16.645 -28.264 1.00 71.33 C ATOM 1342 CD GLN A 88 7.180 -17.115 -29.680 1.00 31.33 C ATOM 1343 OE1 GLN A 88 6.365 -16.361 -30.408 1.00 60.41 O flip ATOM 1344 NE2 GLN A 88 7.696 -18.145 -30.114 1.00 43.20 N flip ATOM 0 H GLN A 88 7.576 -14.323 -27.195 1.00 11.55 H new ATOM 0 HA GLN A 88 5.478 -15.393 -25.695 1.00 2.22 H new ATOM 0 HB2 GLN A 88 5.600 -17.245 -27.377 1.00 11.13 H new ATOM 0 HB3 GLN A 88 5.569 -15.644 -28.088 1.00 11.13 H new ATOM 0 HG2 GLN A 88 8.083 -15.757 -28.295 1.00 71.33 H new ATOM 0 HG3 GLN A 88 8.011 -17.414 -27.731 1.00 71.33 H new ATOM 0 HE21 GLN A 88 8.317 -18.694 -29.519 1.00 43.20 H new ATOM 0 HE22 GLN A 88 7.503 -18.449 -31.068 1.00 43.20 H new ATOM 1353 N GLU A 89 8.352 -16.971 -25.346 1.00 61.32 N ATOM 1354 CA GLU A 89 9.065 -17.939 -24.521 1.00 34.42 C ATOM 1355 C GLU A 89 9.033 -17.529 -23.051 1.00 72.43 C ATOM 1356 O GLU A 89 8.743 -18.343 -22.175 1.00 73.30 O ATOM 1357 CB GLU A 89 10.514 -18.076 -24.992 1.00 71.22 C ATOM 1358 CG GLU A 89 10.645 -18.577 -26.421 1.00 34.44 C ATOM 1359 CD GLU A 89 10.714 -20.090 -26.504 1.00 52.11 C ATOM 1360 OE1 GLU A 89 11.817 -20.645 -26.320 1.00 11.01 O ATOM 1361 OE2 GLU A 89 9.664 -20.718 -26.754 1.00 33.23 O ATOM 0 H GLU A 89 8.934 -16.494 -26.035 1.00 61.32 H new ATOM 0 HA GLU A 89 8.565 -18.902 -24.623 1.00 34.42 H new ATOM 0 HB2 GLU A 89 11.007 -17.108 -24.909 1.00 71.22 H new ATOM 0 HB3 GLU A 89 11.040 -18.760 -24.326 1.00 71.22 H new ATOM 0 HG2 GLU A 89 9.796 -18.223 -27.006 1.00 34.44 H new ATOM 0 HG3 GLU A 89 11.542 -18.151 -26.871 1.00 34.44 H new ATOM 1368 N ALA A 90 9.334 -16.262 -22.790 1.00 51.41 N ATOM 1369 CA ALA A 90 9.339 -15.743 -21.428 1.00 54.51 C ATOM 1370 C ALA A 90 7.970 -15.901 -20.775 1.00 74.34 C ATOM 1371 O ALA A 90 7.859 -16.414 -19.661 1.00 74.24 O ATOM 1372 CB ALA A 90 9.762 -14.281 -21.422 1.00 22.23 C ATOM 0 H ALA A 90 9.578 -15.575 -23.504 1.00 51.41 H new ATOM 0 HA ALA A 90 10.058 -16.321 -20.848 1.00 54.51 H new ATOM 0 HB1 ALA A 90 9.761 -13.906 -20.398 1.00 22.23 H new ATOM 0 HB2 ALA A 90 10.764 -14.190 -21.841 1.00 22.23 H new ATOM 0 HB3 ALA A 90 9.064 -13.698 -22.022 1.00 22.23 H new ATOM 1378 N ILE A 91 6.931 -15.458 -21.475 1.00 53.20 N ATOM 1379 CA ILE A 91 5.569 -15.551 -20.963 1.00 23.53 C ATOM 1380 C ILE A 91 5.165 -17.005 -20.739 1.00 1.32 C ATOM 1381 O ILE A 91 4.334 -17.303 -19.882 1.00 74.32 O ATOM 1382 CB ILE A 91 4.560 -14.892 -21.921 1.00 45.43 C ATOM 1383 CG1 ILE A 91 4.901 -13.413 -22.116 1.00 43.23 C ATOM 1384 CG2 ILE A 91 3.144 -15.049 -21.389 1.00 52.43 C ATOM 1385 CD1 ILE A 91 4.462 -12.863 -23.455 1.00 64.14 C ATOM 0 H ILE A 91 7.006 -15.031 -22.398 1.00 53.20 H new ATOM 0 HA ILE A 91 5.553 -15.020 -20.011 1.00 23.53 H new ATOM 0 HB ILE A 91 4.621 -15.390 -22.888 1.00 45.43 H new ATOM 0 HG12 ILE A 91 4.431 -12.832 -21.322 1.00 43.23 H new ATOM 0 HG13 ILE A 91 5.978 -13.280 -22.013 1.00 43.23 H new ATOM 0 HG21 ILE A 91 2.442 -14.578 -22.077 1.00 52.43 H new ATOM 0 HG22 ILE A 91 2.905 -16.109 -21.296 1.00 52.43 H new ATOM 0 HG23 ILE A 91 3.068 -14.573 -20.411 1.00 52.43 H new ATOM 0 HD11 ILE A 91 4.736 -11.810 -23.523 1.00 64.14 H new ATOM 0 HD12 ILE A 91 4.952 -13.418 -24.255 1.00 64.14 H new ATOM 0 HD13 ILE A 91 3.381 -12.964 -23.553 1.00 64.14 H new ATOM 1397 N ALA A 92 5.761 -17.905 -21.514 1.00 33.01 N ATOM 1398 CA ALA A 92 5.466 -19.328 -21.398 1.00 12.33 C ATOM 1399 C ALA A 92 5.946 -19.880 -20.060 1.00 71.40 C ATOM 1400 O ALA A 92 5.191 -20.538 -19.343 1.00 63.31 O ATOM 1401 CB ALA A 92 6.103 -20.094 -22.547 1.00 62.41 C ATOM 0 H ALA A 92 6.451 -17.674 -22.229 1.00 33.01 H new ATOM 0 HA ALA A 92 4.385 -19.456 -21.447 1.00 12.33 H new ATOM 0 HB1 ALA A 92 5.875 -21.155 -22.448 1.00 62.41 H new ATOM 0 HB2 ALA A 92 5.708 -19.725 -23.494 1.00 62.41 H new ATOM 0 HB3 ALA A 92 7.183 -19.952 -22.524 1.00 62.41 H new ATOM 1407 N ILE A 93 7.204 -19.610 -19.731 1.00 4.22 N ATOM 1408 CA ILE A 93 7.784 -20.080 -18.479 1.00 31.22 C ATOM 1409 C ILE A 93 7.226 -19.306 -17.289 1.00 75.25 C ATOM 1410 O ILE A 93 7.198 -19.808 -16.166 1.00 41.15 O ATOM 1411 CB ILE A 93 9.319 -19.952 -18.486 1.00 13.15 C ATOM 1412 CG1 ILE A 93 9.729 -18.485 -18.633 1.00 71.34 C ATOM 1413 CG2 ILE A 93 9.915 -20.790 -19.606 1.00 63.03 C ATOM 1414 CD1 ILE A 93 11.209 -18.248 -18.430 1.00 61.51 C ATOM 0 H ILE A 93 7.842 -19.068 -20.314 1.00 4.22 H new ATOM 0 HA ILE A 93 7.516 -21.132 -18.383 1.00 31.22 H new ATOM 0 HB ILE A 93 9.705 -20.324 -17.537 1.00 13.15 H new ATOM 0 HG12 ILE A 93 9.446 -18.135 -19.626 1.00 71.34 H new ATOM 0 HG13 ILE A 93 9.171 -17.886 -17.913 1.00 71.34 H new ATOM 0 HG21 ILE A 93 11.000 -20.689 -19.598 1.00 63.03 H new ATOM 0 HG22 ILE A 93 9.647 -21.836 -19.460 1.00 63.03 H new ATOM 0 HG23 ILE A 93 9.526 -20.446 -20.564 1.00 63.03 H new ATOM 0 HD11 ILE A 93 11.427 -17.187 -18.549 1.00 61.51 H new ATOM 0 HD12 ILE A 93 11.494 -18.567 -17.428 1.00 61.51 H new ATOM 0 HD13 ILE A 93 11.773 -18.819 -19.167 1.00 61.51 H new ATOM 1426 N GLY A 94 6.779 -18.080 -17.545 1.00 71.11 N ATOM 1427 CA GLY A 94 6.225 -17.257 -16.486 1.00 41.42 C ATOM 1428 C GLY A 94 7.101 -16.062 -16.163 1.00 34.35 C ATOM 1429 O GLY A 94 7.459 -15.842 -15.006 1.00 60.30 O ATOM 0 H GLY A 94 6.791 -17.643 -18.466 1.00 71.11 H new ATOM 0 HA2 GLY A 94 5.235 -16.909 -16.781 1.00 41.42 H new ATOM 0 HA3 GLY A 94 6.096 -17.863 -15.589 1.00 41.42 H new ATOM 1433 N ALA A 95 7.447 -15.290 -17.187 1.00 3.21 N ATOM 1434 CA ALA A 95 8.286 -14.112 -17.006 1.00 1.44 C ATOM 1435 C ALA A 95 7.627 -13.108 -16.065 1.00 63.21 C ATOM 1436 O ALA A 95 6.558 -13.369 -15.512 1.00 44.42 O ATOM 1437 CB ALA A 95 8.582 -13.463 -18.350 1.00 0.45 C ATOM 0 H ALA A 95 7.159 -15.459 -18.151 1.00 3.21 H new ATOM 0 HA ALA A 95 9.225 -14.431 -16.555 1.00 1.44 H new ATOM 0 HB1 ALA A 95 9.209 -12.584 -18.200 1.00 0.45 H new ATOM 0 HB2 ALA A 95 9.102 -14.175 -18.991 1.00 0.45 H new ATOM 0 HB3 ALA A 95 7.647 -13.164 -18.824 1.00 0.45 H new ATOM 1443 N LYS A 96 8.272 -11.960 -15.887 1.00 31.12 N ATOM 1444 CA LYS A 96 7.749 -10.916 -15.013 1.00 70.23 C ATOM 1445 C LYS A 96 7.841 -9.549 -15.684 1.00 23.13 C ATOM 1446 O LYS A 96 6.920 -8.737 -15.592 1.00 73.33 O ATOM 1447 CB LYS A 96 8.516 -10.899 -13.689 1.00 34.31 C ATOM 1448 CG LYS A 96 8.143 -12.039 -12.756 1.00 44.22 C ATOM 1449 CD LYS A 96 8.900 -11.952 -11.441 1.00 35.50 C ATOM 1450 CE LYS A 96 8.565 -10.673 -10.689 1.00 24.31 C ATOM 1451 NZ LYS A 96 7.102 -10.535 -10.454 1.00 15.54 N ATOM 0 H LYS A 96 9.158 -11.729 -16.336 1.00 31.12 H new ATOM 0 HA LYS A 96 6.700 -11.134 -14.815 1.00 70.23 H new ATOM 0 HB2 LYS A 96 9.585 -10.946 -13.897 1.00 34.31 H new ATOM 0 HB3 LYS A 96 8.331 -9.951 -13.183 1.00 34.31 H new ATOM 0 HG2 LYS A 96 7.071 -12.016 -12.562 1.00 44.22 H new ATOM 0 HG3 LYS A 96 8.359 -12.992 -13.239 1.00 44.22 H new ATOM 0 HD2 LYS A 96 8.655 -12.815 -10.821 1.00 35.50 H new ATOM 0 HD3 LYS A 96 9.972 -11.992 -11.634 1.00 35.50 H new ATOM 0 HE2 LYS A 96 9.089 -10.666 -9.733 1.00 24.31 H new ATOM 0 HE3 LYS A 96 8.924 -9.814 -11.255 1.00 24.31 H new ATOM 0 HZ1 LYS A 96 6.933 -9.792 -9.747 1.00 15.54 H new ATOM 0 HZ2 LYS A 96 6.630 -10.279 -11.345 1.00 15.54 H new ATOM 0 HZ3 LYS A 96 6.720 -11.437 -10.106 1.00 15.54 H new ATOM 1465 N THR A 97 8.959 -9.300 -16.359 1.00 70.43 N ATOM 1466 CA THR A 97 9.171 -8.032 -17.045 1.00 62.23 C ATOM 1467 C THR A 97 9.862 -8.242 -18.388 1.00 73.20 C ATOM 1468 O THR A 97 10.516 -9.262 -18.608 1.00 62.24 O ATOM 1469 CB THR A 97 10.015 -7.066 -16.192 1.00 63.54 C ATOM 1470 OG1 THR A 97 9.824 -7.347 -14.801 1.00 42.22 O ATOM 1471 CG2 THR A 97 9.639 -5.621 -16.480 1.00 3.21 C ATOM 0 H THR A 97 9.732 -9.960 -16.445 1.00 70.43 H new ATOM 0 HA THR A 97 8.187 -7.594 -17.210 1.00 62.23 H new ATOM 0 HB THR A 97 11.064 -7.209 -16.450 1.00 63.54 H new ATOM 0 HG1 THR A 97 10.258 -8.196 -14.576 1.00 42.22 H new ATOM 0 HG21 THR A 97 10.248 -4.957 -15.866 1.00 3.21 H new ATOM 0 HG22 THR A 97 9.814 -5.403 -17.534 1.00 3.21 H new ATOM 0 HG23 THR A 97 8.586 -5.466 -16.247 1.00 3.21 H new ATOM 1479 N LEU A 98 9.713 -7.272 -19.283 1.00 14.33 N ATOM 1480 CA LEU A 98 10.323 -7.350 -20.605 1.00 42.13 C ATOM 1481 C LEU A 98 10.879 -5.994 -21.030 1.00 34.22 C ATOM 1482 O LEU A 98 10.213 -4.968 -20.889 1.00 31.30 O ATOM 1483 CB LEU A 98 9.301 -7.839 -21.633 1.00 31.45 C ATOM 1484 CG LEU A 98 9.863 -8.262 -22.990 1.00 41.23 C ATOM 1485 CD1 LEU A 98 10.296 -9.719 -22.959 1.00 32.42 C ATOM 1486 CD2 LEU A 98 8.835 -8.032 -24.088 1.00 74.42 C ATOM 0 H LEU A 98 9.175 -6.422 -19.117 1.00 14.33 H new ATOM 0 HA LEU A 98 11.148 -8.061 -20.555 1.00 42.13 H new ATOM 0 HB2 LEU A 98 8.762 -8.685 -21.206 1.00 31.45 H new ATOM 0 HB3 LEU A 98 8.571 -7.046 -21.796 1.00 31.45 H new ATOM 0 HG LEU A 98 10.739 -7.650 -23.205 1.00 41.23 H new ATOM 0 HD11 LEU A 98 10.693 -10.001 -23.934 1.00 32.42 H new ATOM 0 HD12 LEU A 98 11.067 -9.853 -22.200 1.00 32.42 H new ATOM 0 HD13 LEU A 98 9.439 -10.348 -22.720 1.00 32.42 H new ATOM 0 HD21 LEU A 98 9.252 -8.339 -25.047 1.00 74.42 H new ATOM 0 HD22 LEU A 98 7.940 -8.618 -23.877 1.00 74.42 H new ATOM 0 HD23 LEU A 98 8.575 -6.974 -24.127 1.00 74.42 H new ATOM 1498 N TRP A 99 12.100 -5.998 -21.551 1.00 71.22 N ATOM 1499 CA TRP A 99 12.744 -4.768 -21.999 1.00 32.34 C ATOM 1500 C TRP A 99 13.319 -4.934 -23.401 1.00 13.10 C ATOM 1501 O TRP A 99 13.910 -5.965 -23.722 1.00 62.55 O ATOM 1502 CB TRP A 99 13.852 -4.365 -21.024 1.00 53.22 C ATOM 1503 CG TRP A 99 13.948 -2.884 -20.815 1.00 44.21 C ATOM 1504 CD1 TRP A 99 14.777 -2.016 -21.467 1.00 63.45 C ATOM 1505 CD2 TRP A 99 13.190 -2.098 -19.889 1.00 44.11 C ATOM 1506 NE1 TRP A 99 14.580 -0.738 -21.003 1.00 22.43 N ATOM 1507 CE2 TRP A 99 13.611 -0.761 -20.035 1.00 23.52 C ATOM 1508 CE3 TRP A 99 12.196 -2.392 -18.953 1.00 32.33 C ATOM 1509 CZ2 TRP A 99 13.072 0.275 -19.278 1.00 0.22 C ATOM 1510 CZ3 TRP A 99 11.662 -1.362 -18.202 1.00 32.41 C ATOM 1511 CH2 TRP A 99 12.100 -0.042 -18.368 1.00 51.23 C ATOM 0 H TRP A 99 12.664 -6.839 -21.674 1.00 71.22 H new ATOM 0 HA TRP A 99 11.990 -3.981 -22.027 1.00 32.34 H new ATOM 0 HB2 TRP A 99 13.675 -4.850 -20.064 1.00 53.22 H new ATOM 0 HB3 TRP A 99 14.807 -4.735 -21.397 1.00 53.22 H new ATOM 0 HD1 TRP A 99 15.484 -2.294 -22.235 1.00 63.45 H new ATOM 0 HE1 TRP A 99 15.075 0.093 -21.327 1.00 22.43 H new ATOM 0 HE3 TRP A 99 11.851 -3.406 -18.818 1.00 32.33 H new ATOM 0 HZ2 TRP A 99 13.409 1.293 -19.404 1.00 0.22 H new ATOM 0 HZ3 TRP A 99 10.894 -1.579 -17.475 1.00 32.41 H new ATOM 0 HH2 TRP A 99 11.662 0.741 -17.766 1.00 51.23 H new ATOM 1522 N LEU A 100 13.142 -3.913 -24.232 1.00 60.04 N ATOM 1523 CA LEU A 100 13.644 -3.946 -25.602 1.00 1.33 C ATOM 1524 C LEU A 100 14.717 -2.882 -25.814 1.00 21.43 C ATOM 1525 O LEU A 100 15.190 -2.266 -24.859 1.00 60.23 O ATOM 1526 CB LEU A 100 12.497 -3.734 -26.591 1.00 43.25 C ATOM 1527 CG LEU A 100 11.266 -4.618 -26.391 1.00 52.22 C ATOM 1528 CD1 LEU A 100 10.267 -4.405 -27.518 1.00 12.32 C ATOM 1529 CD2 LEU A 100 11.669 -6.082 -26.304 1.00 23.54 C ATOM 0 H LEU A 100 12.655 -3.052 -23.982 1.00 60.04 H new ATOM 0 HA LEU A 100 14.090 -4.925 -25.777 1.00 1.33 H new ATOM 0 HB2 LEU A 100 12.184 -2.691 -26.535 1.00 43.25 H new ATOM 0 HB3 LEU A 100 12.878 -3.899 -27.599 1.00 43.25 H new ATOM 0 HG LEU A 100 10.789 -4.336 -25.452 1.00 52.22 H new ATOM 0 HD11 LEU A 100 9.397 -5.043 -27.359 1.00 12.32 H new ATOM 0 HD12 LEU A 100 9.954 -3.361 -27.534 1.00 12.32 H new ATOM 0 HD13 LEU A 100 10.733 -4.658 -28.470 1.00 12.32 H new ATOM 0 HD21 LEU A 100 10.780 -6.696 -26.162 1.00 23.54 H new ATOM 0 HD22 LEU A 100 12.170 -6.377 -27.226 1.00 23.54 H new ATOM 0 HD23 LEU A 100 12.346 -6.223 -25.462 1.00 23.54 H new ATOM 1541 N GLN A 101 15.094 -2.672 -27.071 1.00 22.22 N ATOM 1542 CA GLN A 101 16.110 -1.682 -27.408 1.00 1.15 C ATOM 1543 C GLN A 101 15.496 -0.291 -27.525 1.00 4.32 C ATOM 1544 O GLN A 101 14.359 -0.138 -27.972 1.00 33.04 O ATOM 1545 CB GLN A 101 16.805 -2.058 -28.717 1.00 73.15 C ATOM 1546 CG GLN A 101 18.029 -2.938 -28.526 1.00 22.21 C ATOM 1547 CD GLN A 101 19.254 -2.150 -28.105 1.00 21.41 C ATOM 1548 OE1 GLN A 101 19.371 -1.886 -26.809 1.00 71.22 O flip ATOM 1549 NE2 GLN A 101 20.086 -1.783 -28.935 1.00 5.21 N flip ATOM 0 H GLN A 101 14.711 -3.174 -27.872 1.00 22.22 H new ATOM 0 HA GLN A 101 16.848 -1.667 -26.606 1.00 1.15 H new ATOM 0 HB2 GLN A 101 16.093 -2.575 -29.361 1.00 73.15 H new ATOM 0 HB3 GLN A 101 17.101 -1.146 -29.236 1.00 73.15 H new ATOM 0 HG2 GLN A 101 17.813 -3.696 -27.773 1.00 22.21 H new ATOM 0 HG3 GLN A 101 18.242 -3.464 -29.456 1.00 22.21 H new ATOM 0 HE21 GLN A 101 19.956 -2.008 -29.921 1.00 5.21 H new ATOM 0 HE22 GLN A 101 20.905 -1.254 -28.636 1.00 5.21 H new ATOM 1558 N LEU A 102 16.256 0.721 -27.121 1.00 1.42 N ATOM 1559 CA LEU A 102 15.787 2.101 -27.180 1.00 50.52 C ATOM 1560 C LEU A 102 15.703 2.587 -28.624 1.00 24.51 C ATOM 1561 O LEU A 102 16.635 2.404 -29.406 1.00 23.41 O ATOM 1562 CB LEU A 102 16.717 3.012 -26.377 1.00 45.23 C ATOM 1563 CG LEU A 102 16.387 4.505 -26.409 1.00 21.13 C ATOM 1564 CD1 LEU A 102 15.613 4.907 -25.163 1.00 25.35 C ATOM 1565 CD2 LEU A 102 17.659 5.330 -26.538 1.00 40.03 C ATOM 0 H LEU A 102 17.199 0.612 -26.749 1.00 1.42 H new ATOM 0 HA LEU A 102 14.788 2.137 -26.745 1.00 50.52 H new ATOM 0 HB2 LEU A 102 16.709 2.681 -25.339 1.00 45.23 H new ATOM 0 HB3 LEU A 102 17.733 2.877 -26.747 1.00 45.23 H new ATOM 0 HG LEU A 102 15.761 4.701 -27.280 1.00 21.13 H new ATOM 0 HD11 LEU A 102 15.387 5.973 -25.203 1.00 25.35 H new ATOM 0 HD12 LEU A 102 14.683 4.340 -25.114 1.00 25.35 H new ATOM 0 HD13 LEU A 102 16.213 4.697 -24.278 1.00 25.35 H new ATOM 0 HD21 LEU A 102 17.405 6.390 -26.559 1.00 40.03 H new ATOM 0 HD22 LEU A 102 18.310 5.130 -25.687 1.00 40.03 H new ATOM 0 HD23 LEU A 102 18.174 5.062 -27.460 1.00 40.03 H new ATOM 1577 N GLY A 103 14.580 3.208 -28.970 1.00 42.31 N ATOM 1578 CA GLY A 103 14.397 3.712 -30.319 1.00 15.24 C ATOM 1579 C GLY A 103 13.564 2.781 -31.177 1.00 63.43 C ATOM 1580 O GLY A 103 13.007 3.194 -32.195 1.00 24.35 O ATOM 0 H GLY A 103 13.794 3.371 -28.341 1.00 42.31 H new ATOM 0 HA2 GLY A 103 13.916 4.689 -30.276 1.00 15.24 H new ATOM 0 HA3 GLY A 103 15.372 3.856 -30.785 1.00 15.24 H new ATOM 1584 N VAL A 104 13.480 1.519 -30.768 1.00 61.45 N ATOM 1585 CA VAL A 104 12.710 0.525 -31.508 1.00 5.21 C ATOM 1586 C VAL A 104 11.311 0.368 -30.924 1.00 51.51 C ATOM 1587 O VAL A 104 11.114 0.496 -29.715 1.00 51.03 O ATOM 1588 CB VAL A 104 13.413 -0.846 -31.504 1.00 52.42 C ATOM 1589 CG1 VAL A 104 12.700 -1.814 -32.436 1.00 51.40 C ATOM 1590 CG2 VAL A 104 14.875 -0.695 -31.895 1.00 62.53 C ATOM 0 H VAL A 104 13.935 1.160 -29.929 1.00 61.45 H new ATOM 0 HA VAL A 104 12.634 0.883 -32.535 1.00 5.21 H new ATOM 0 HB VAL A 104 13.371 -1.254 -30.494 1.00 52.42 H new ATOM 0 HG11 VAL A 104 13.211 -2.777 -32.420 1.00 51.40 H new ATOM 0 HG12 VAL A 104 11.669 -1.944 -32.106 1.00 51.40 H new ATOM 0 HG13 VAL A 104 12.709 -1.415 -33.450 1.00 51.40 H new ATOM 0 HG21 VAL A 104 15.357 -1.673 -31.887 1.00 62.53 H new ATOM 0 HG22 VAL A 104 14.942 -0.266 -32.895 1.00 62.53 H new ATOM 0 HG23 VAL A 104 15.376 -0.038 -31.184 1.00 62.53 H new ATOM 1600 N ILE A 105 10.342 0.091 -31.790 1.00 63.12 N ATOM 1601 CA ILE A 105 8.961 -0.085 -31.360 1.00 32.01 C ATOM 1602 C ILE A 105 8.355 -1.349 -31.960 1.00 20.54 C ATOM 1603 O ILE A 105 8.241 -1.478 -33.178 1.00 2.13 O ATOM 1604 CB ILE A 105 8.091 1.124 -31.753 1.00 33.45 C ATOM 1605 CG1 ILE A 105 8.651 2.406 -31.134 1.00 22.34 C ATOM 1606 CG2 ILE A 105 6.650 0.904 -31.315 1.00 62.51 C ATOM 1607 CD1 ILE A 105 8.163 3.667 -31.811 1.00 44.11 C ATOM 0 H ILE A 105 10.488 -0.016 -32.794 1.00 63.12 H new ATOM 0 HA ILE A 105 8.978 -0.173 -30.274 1.00 32.01 H new ATOM 0 HB ILE A 105 8.109 1.229 -32.838 1.00 33.45 H new ATOM 0 HG12 ILE A 105 8.377 2.440 -30.079 1.00 22.34 H new ATOM 0 HG13 ILE A 105 9.740 2.377 -31.180 1.00 22.34 H new ATOM 0 HG21 ILE A 105 6.047 1.767 -31.600 1.00 62.51 H new ATOM 0 HG22 ILE A 105 6.255 0.010 -31.798 1.00 62.51 H new ATOM 0 HG23 ILE A 105 6.614 0.777 -30.233 1.00 62.51 H new ATOM 0 HD11 ILE A 105 8.600 4.536 -31.320 1.00 44.11 H new ATOM 0 HD12 ILE A 105 8.460 3.655 -32.860 1.00 44.11 H new ATOM 0 HD13 ILE A 105 7.076 3.720 -31.742 1.00 44.11 H new ATOM 1619 N ASN A 106 7.966 -2.281 -31.094 1.00 41.54 N ATOM 1620 CA ASN A 106 7.370 -3.535 -31.538 1.00 61.35 C ATOM 1621 C ASN A 106 5.949 -3.682 -31.004 1.00 11.25 C ATOM 1622 O ASN A 106 5.743 -4.131 -29.877 1.00 21.33 O ATOM 1623 CB ASN A 106 8.224 -4.720 -31.081 1.00 11.42 C ATOM 1624 CG ASN A 106 9.228 -5.149 -32.133 1.00 72.51 C ATOM 1625 OD1 ASN A 106 9.933 -4.321 -32.709 1.00 23.10 O ATOM 1626 ND2 ASN A 106 9.296 -6.451 -32.389 1.00 11.30 N ATOM 0 H ASN A 106 8.053 -2.190 -30.082 1.00 41.54 H new ATOM 0 HA ASN A 106 7.330 -3.523 -32.627 1.00 61.35 H new ATOM 0 HB2 ASN A 106 8.753 -4.452 -30.166 1.00 11.42 H new ATOM 0 HB3 ASN A 106 7.574 -5.561 -30.839 1.00 11.42 H new ATOM 0 HD21 ASN A 106 9.952 -6.800 -33.088 1.00 11.30 H new ATOM 0 HD22 ASN A 106 8.692 -7.102 -31.887 1.00 11.30 H new ATOM 1633 N GLU A 107 4.972 -3.300 -31.821 1.00 4.54 N ATOM 1634 CA GLU A 107 3.571 -3.388 -31.429 1.00 33.42 C ATOM 1635 C GLU A 107 3.151 -4.843 -31.236 1.00 52.22 C ATOM 1636 O GLU A 107 2.334 -5.153 -30.369 1.00 62.55 O ATOM 1637 CB GLU A 107 2.681 -2.724 -32.482 1.00 33.34 C ATOM 1638 CG GLU A 107 1.311 -2.327 -31.958 1.00 10.14 C ATOM 1639 CD GLU A 107 1.304 -0.946 -31.331 1.00 23.34 C ATOM 1640 OE1 GLU A 107 1.713 -0.827 -30.157 1.00 3.44 O ATOM 1641 OE2 GLU A 107 0.890 0.014 -32.013 1.00 22.10 O ATOM 0 H GLU A 107 5.125 -2.927 -32.758 1.00 4.54 H new ATOM 0 HA GLU A 107 3.452 -2.864 -30.481 1.00 33.42 H new ATOM 0 HB2 GLU A 107 3.185 -1.837 -32.865 1.00 33.34 H new ATOM 0 HB3 GLU A 107 2.555 -3.407 -33.322 1.00 33.34 H new ATOM 0 HG2 GLU A 107 0.591 -2.354 -32.776 1.00 10.14 H new ATOM 0 HG3 GLU A 107 0.982 -3.059 -31.220 1.00 10.14 H new ATOM 1648 N GLN A 108 3.715 -5.728 -32.051 1.00 60.30 N ATOM 1649 CA GLN A 108 3.398 -7.149 -31.971 1.00 63.42 C ATOM 1650 C GLN A 108 3.924 -7.752 -30.672 1.00 74.15 C ATOM 1651 O GLN A 108 3.198 -8.445 -29.960 1.00 73.13 O ATOM 1652 CB GLN A 108 3.991 -7.894 -33.169 1.00 51.41 C ATOM 1653 CG GLN A 108 2.944 -8.540 -34.062 1.00 43.12 C ATOM 1654 CD GLN A 108 3.453 -9.795 -34.743 1.00 50.05 C ATOM 1655 OE1 GLN A 108 4.660 -10.005 -34.862 1.00 5.01 O ATOM 1656 NE2 GLN A 108 2.532 -10.638 -35.196 1.00 21.02 N ATOM 0 H GLN A 108 4.393 -5.487 -32.774 1.00 60.30 H new ATOM 0 HA GLN A 108 2.313 -7.255 -31.987 1.00 63.42 H new ATOM 0 HB2 GLN A 108 4.583 -7.198 -33.763 1.00 51.41 H new ATOM 0 HB3 GLN A 108 4.673 -8.664 -32.807 1.00 51.41 H new ATOM 0 HG2 GLN A 108 2.065 -8.785 -33.466 1.00 43.12 H new ATOM 0 HG3 GLN A 108 2.626 -7.824 -34.819 1.00 43.12 H new ATOM 0 HE21 GLN A 108 1.542 -10.424 -35.076 1.00 21.02 H new ATOM 0 HE22 GLN A 108 2.815 -11.499 -35.664 1.00 21.02 H new ATOM 1665 N ALA A 109 5.190 -7.483 -30.371 1.00 33.51 N ATOM 1666 CA ALA A 109 5.812 -7.998 -29.157 1.00 54.11 C ATOM 1667 C ALA A 109 5.245 -7.314 -27.918 1.00 1.24 C ATOM 1668 O ALA A 109 5.266 -7.876 -26.823 1.00 13.40 O ATOM 1669 CB ALA A 109 7.321 -7.816 -29.219 1.00 51.04 C ATOM 0 H ALA A 109 5.805 -6.912 -30.951 1.00 33.51 H new ATOM 0 HA ALA A 109 5.588 -9.063 -29.087 1.00 54.11 H new ATOM 0 HB1 ALA A 109 7.772 -8.205 -28.306 1.00 51.04 H new ATOM 0 HB2 ALA A 109 7.718 -8.356 -30.079 1.00 51.04 H new ATOM 0 HB3 ALA A 109 7.556 -6.756 -29.317 1.00 51.04 H new ATOM 1675 N ALA A 110 4.740 -6.097 -28.097 1.00 65.53 N ATOM 1676 CA ALA A 110 4.167 -5.338 -26.993 1.00 43.54 C ATOM 1677 C ALA A 110 2.846 -5.946 -26.536 1.00 52.41 C ATOM 1678 O ALA A 110 2.652 -6.216 -25.351 1.00 4.23 O ATOM 1679 CB ALA A 110 3.969 -3.885 -27.400 1.00 4.44 C ATOM 0 H ALA A 110 4.716 -5.616 -28.996 1.00 65.53 H new ATOM 0 HA ALA A 110 4.864 -5.378 -26.156 1.00 43.54 H new ATOM 0 HB1 ALA A 110 3.540 -3.329 -26.566 1.00 4.44 H new ATOM 0 HB2 ALA A 110 4.930 -3.449 -27.671 1.00 4.44 H new ATOM 0 HB3 ALA A 110 3.294 -3.835 -28.255 1.00 4.44 H new ATOM 1685 N VAL A 111 1.938 -6.158 -27.484 1.00 20.24 N ATOM 1686 CA VAL A 111 0.634 -6.735 -27.178 1.00 3.12 C ATOM 1687 C VAL A 111 0.762 -8.201 -26.779 1.00 13.20 C ATOM 1688 O VAL A 111 -0.005 -8.700 -25.955 1.00 31.35 O ATOM 1689 CB VAL A 111 -0.325 -6.622 -28.378 1.00 23.22 C ATOM 1690 CG1 VAL A 111 -0.040 -7.718 -29.394 1.00 1.31 C ATOM 1691 CG2 VAL A 111 -1.771 -6.680 -27.910 1.00 72.04 C ATOM 0 H VAL A 111 2.081 -5.939 -28.470 1.00 20.24 H new ATOM 0 HA VAL A 111 0.225 -6.168 -26.341 1.00 3.12 H new ATOM 0 HB VAL A 111 -0.162 -5.659 -28.863 1.00 23.22 H new ATOM 0 HG11 VAL A 111 -0.727 -7.622 -30.235 1.00 1.31 H new ATOM 0 HG12 VAL A 111 0.986 -7.625 -29.751 1.00 1.31 H new ATOM 0 HG13 VAL A 111 -0.174 -8.693 -28.925 1.00 1.31 H new ATOM 0 HG21 VAL A 111 -2.435 -6.599 -28.770 1.00 72.04 H new ATOM 0 HG22 VAL A 111 -1.951 -7.627 -27.401 1.00 72.04 H new ATOM 0 HG23 VAL A 111 -1.964 -5.856 -27.223 1.00 72.04 H new ATOM 1701 N LEU A 112 1.735 -8.886 -27.369 1.00 2.05 N ATOM 1702 CA LEU A 112 1.965 -10.296 -27.075 1.00 34.34 C ATOM 1703 C LEU A 112 2.150 -10.517 -25.577 1.00 25.22 C ATOM 1704 O LEU A 112 1.855 -11.592 -25.057 1.00 34.54 O ATOM 1705 CB LEU A 112 3.193 -10.802 -27.833 1.00 22.34 C ATOM 1706 CG LEU A 112 3.772 -12.136 -27.358 1.00 44.43 C ATOM 1707 CD1 LEU A 112 2.779 -13.263 -27.594 1.00 64.00 C ATOM 1708 CD2 LEU A 112 5.089 -12.426 -28.064 1.00 22.04 C ATOM 0 H LEU A 112 2.377 -8.488 -28.054 1.00 2.05 H new ATOM 0 HA LEU A 112 1.089 -10.857 -27.400 1.00 34.34 H new ATOM 0 HB2 LEU A 112 2.931 -10.897 -28.887 1.00 22.34 H new ATOM 0 HB3 LEU A 112 3.974 -10.045 -27.766 1.00 22.34 H new ATOM 0 HG LEU A 112 3.964 -12.067 -26.287 1.00 44.43 H new ATOM 0 HD11 LEU A 112 3.208 -14.204 -27.250 1.00 64.00 H new ATOM 0 HD12 LEU A 112 1.861 -13.060 -27.043 1.00 64.00 H new ATOM 0 HD13 LEU A 112 2.555 -13.334 -28.658 1.00 64.00 H new ATOM 0 HD21 LEU A 112 5.487 -13.379 -27.714 1.00 22.04 H new ATOM 0 HD22 LEU A 112 4.922 -12.476 -29.140 1.00 22.04 H new ATOM 0 HD23 LEU A 112 5.802 -11.632 -27.844 1.00 22.04 H new ATOM 1720 N ALA A 113 2.640 -9.491 -24.889 1.00 25.11 N ATOM 1721 CA ALA A 113 2.862 -9.572 -23.450 1.00 55.44 C ATOM 1722 C ALA A 113 1.603 -9.187 -22.679 1.00 63.33 C ATOM 1723 O ALA A 113 1.319 -9.745 -21.619 1.00 3.40 O ATOM 1724 CB ALA A 113 4.025 -8.679 -23.044 1.00 70.15 C ATOM 0 H ALA A 113 2.891 -8.594 -25.305 1.00 25.11 H new ATOM 0 HA ALA A 113 3.108 -10.605 -23.202 1.00 55.44 H new ATOM 0 HB1 ALA A 113 4.179 -8.749 -21.967 1.00 70.15 H new ATOM 0 HB2 ALA A 113 4.929 -9.001 -23.562 1.00 70.15 H new ATOM 0 HB3 ALA A 113 3.801 -7.646 -23.312 1.00 70.15 H new ATOM 1730 N ARG A 114 0.853 -8.232 -23.218 1.00 44.52 N ATOM 1731 CA ARG A 114 -0.374 -7.772 -22.579 1.00 44.42 C ATOM 1732 C ARG A 114 -1.392 -8.904 -22.480 1.00 11.51 C ATOM 1733 O ARG A 114 -2.139 -8.995 -21.506 1.00 25.30 O ATOM 1734 CB ARG A 114 -0.972 -6.600 -23.360 1.00 10.24 C ATOM 1735 CG ARG A 114 -0.633 -5.240 -22.772 1.00 4.13 C ATOM 1736 CD ARG A 114 -1.548 -4.892 -21.608 1.00 41.23 C ATOM 1737 NE ARG A 114 -0.980 -5.296 -20.325 1.00 61.21 N ATOM 1738 CZ ARG A 114 -1.435 -4.868 -19.153 1.00 23.44 C ATOM 1739 NH1 ARG A 114 -2.459 -4.028 -19.102 1.00 1.03 N ATOM 1740 NH2 ARG A 114 -0.865 -5.282 -18.028 1.00 10.23 N ATOM 0 H ARG A 114 1.073 -7.762 -24.096 1.00 44.52 H new ATOM 0 HA ARG A 114 -0.127 -7.439 -21.571 1.00 44.42 H new ATOM 0 HB2 ARG A 114 -0.615 -6.641 -24.389 1.00 10.24 H new ATOM 0 HB3 ARG A 114 -2.056 -6.712 -23.394 1.00 10.24 H new ATOM 0 HG2 ARG A 114 0.404 -5.236 -22.435 1.00 4.13 H new ATOM 0 HG3 ARG A 114 -0.720 -4.476 -23.545 1.00 4.13 H new ATOM 0 HD2 ARG A 114 -1.732 -3.818 -21.601 1.00 41.23 H new ATOM 0 HD3 ARG A 114 -2.513 -5.380 -21.747 1.00 41.23 H new ATOM 0 HE ARG A 114 -0.191 -5.942 -20.329 1.00 61.21 H new ATOM 0 HH11 ARG A 114 -2.900 -3.708 -19.964 1.00 1.03 H new ATOM 0 HH12 ARG A 114 -2.806 -3.701 -18.200 1.00 1.03 H new ATOM 0 HH21 ARG A 114 -0.077 -5.929 -18.063 1.00 10.23 H new ATOM 0 HH22 ARG A 114 -1.215 -4.953 -17.128 1.00 10.23 H new ATOM 1754 N GLU A 115 -1.416 -9.762 -23.495 1.00 11.04 N ATOM 1755 CA GLU A 115 -2.344 -10.886 -23.521 1.00 70.52 C ATOM 1756 C GLU A 115 -2.189 -11.749 -22.272 1.00 70.43 C ATOM 1757 O GLU A 115 -3.130 -12.419 -21.847 1.00 1.33 O ATOM 1758 CB GLU A 115 -2.115 -11.736 -24.773 1.00 41.01 C ATOM 1759 CG GLU A 115 -2.773 -11.171 -26.021 1.00 34.44 C ATOM 1760 CD GLU A 115 -4.251 -11.502 -26.101 1.00 11.03 C ATOM 1761 OE1 GLU A 115 -4.643 -12.590 -25.629 1.00 42.22 O ATOM 1762 OE2 GLU A 115 -5.016 -10.672 -26.635 1.00 40.32 O ATOM 0 H GLU A 115 -0.804 -9.700 -24.309 1.00 11.04 H new ATOM 0 HA GLU A 115 -3.358 -10.486 -23.542 1.00 70.52 H new ATOM 0 HB2 GLU A 115 -1.043 -11.829 -24.948 1.00 41.01 H new ATOM 0 HB3 GLU A 115 -2.497 -12.741 -24.594 1.00 41.01 H new ATOM 0 HG2 GLU A 115 -2.645 -10.089 -26.036 1.00 34.44 H new ATOM 0 HG3 GLU A 115 -2.268 -11.564 -26.903 1.00 34.44 H new ATOM 1769 N ALA A 116 -0.994 -11.728 -21.690 1.00 74.53 N ATOM 1770 CA ALA A 116 -0.716 -12.507 -20.490 1.00 24.00 C ATOM 1771 C ALA A 116 -0.667 -11.614 -19.255 1.00 44.42 C ATOM 1772 O ALA A 116 -0.884 -12.074 -18.135 1.00 50.41 O ATOM 1773 CB ALA A 116 0.593 -13.267 -20.646 1.00 61.21 C ATOM 0 H ALA A 116 -0.204 -11.180 -22.030 1.00 74.53 H new ATOM 0 HA ALA A 116 -1.526 -13.224 -20.356 1.00 24.00 H new ATOM 0 HB1 ALA A 116 0.788 -13.845 -19.742 1.00 61.21 H new ATOM 0 HB2 ALA A 116 0.523 -13.941 -21.500 1.00 61.21 H new ATOM 0 HB3 ALA A 116 1.407 -12.560 -20.808 1.00 61.21 H new ATOM 1779 N GLY A 117 -0.379 -10.333 -19.468 1.00 3.02 N ATOM 1780 CA GLY A 117 -0.305 -9.396 -18.362 1.00 55.43 C ATOM 1781 C GLY A 117 1.113 -8.939 -18.082 1.00 74.12 C ATOM 1782 O GLY A 117 1.330 -7.992 -17.326 1.00 12.52 O ATOM 0 H GLY A 117 -0.196 -9.928 -20.386 1.00 3.02 H new ATOM 0 HA2 GLY A 117 -0.926 -8.528 -18.583 1.00 55.43 H new ATOM 0 HA3 GLY A 117 -0.716 -9.862 -17.467 1.00 55.43 H new ATOM 1786 N LEU A 118 2.081 -9.614 -18.691 1.00 71.34 N ATOM 1787 CA LEU A 118 3.487 -9.274 -18.503 1.00 12.25 C ATOM 1788 C LEU A 118 3.725 -7.788 -18.752 1.00 25.11 C ATOM 1789 O LEU A 118 3.023 -7.161 -19.545 1.00 44.10 O ATOM 1790 CB LEU A 118 4.364 -10.107 -19.439 1.00 31.15 C ATOM 1791 CG LEU A 118 5.700 -10.579 -18.863 1.00 51.15 C ATOM 1792 CD1 LEU A 118 5.486 -11.723 -17.885 1.00 35.12 C ATOM 1793 CD2 LEU A 118 6.643 -11.000 -19.981 1.00 74.32 C ATOM 0 H LEU A 118 1.918 -10.401 -19.320 1.00 71.34 H new ATOM 0 HA LEU A 118 3.755 -9.498 -17.470 1.00 12.25 H new ATOM 0 HB2 LEU A 118 3.796 -10.983 -19.752 1.00 31.15 H new ATOM 0 HB3 LEU A 118 4.565 -9.520 -20.335 1.00 31.15 H new ATOM 0 HG LEU A 118 6.155 -9.748 -18.324 1.00 51.15 H new ATOM 0 HD11 LEU A 118 6.448 -12.045 -17.486 1.00 35.12 H new ATOM 0 HD12 LEU A 118 4.848 -11.388 -17.067 1.00 35.12 H new ATOM 0 HD13 LEU A 118 5.009 -12.557 -18.400 1.00 35.12 H new ATOM 0 HD21 LEU A 118 7.589 -11.333 -19.553 1.00 74.32 H new ATOM 0 HD22 LEU A 118 6.194 -11.816 -20.548 1.00 74.32 H new ATOM 0 HD23 LEU A 118 6.823 -10.153 -20.644 1.00 74.32 H new ATOM 1805 N SER A 119 4.722 -7.232 -18.071 1.00 1.40 N ATOM 1806 CA SER A 119 5.053 -5.819 -18.217 1.00 52.14 C ATOM 1807 C SER A 119 6.044 -5.608 -19.358 1.00 23.53 C ATOM 1808 O SER A 119 7.247 -5.817 -19.197 1.00 11.34 O ATOM 1809 CB SER A 119 5.635 -5.272 -16.913 1.00 0.23 C ATOM 1810 OG SER A 119 5.818 -3.868 -16.985 1.00 21.41 O ATOM 0 H SER A 119 5.315 -7.738 -17.413 1.00 1.40 H new ATOM 0 HA SER A 119 4.136 -5.279 -18.451 1.00 52.14 H new ATOM 0 HB2 SER A 119 4.969 -5.513 -16.085 1.00 0.23 H new ATOM 0 HB3 SER A 119 6.589 -5.756 -16.706 1.00 0.23 H new ATOM 0 HG SER A 119 5.093 -3.418 -16.503 1.00 21.41 H new ATOM 1816 N VAL A 120 5.530 -5.194 -20.511 1.00 44.04 N ATOM 1817 CA VAL A 120 6.369 -4.954 -21.680 1.00 2.34 C ATOM 1818 C VAL A 120 6.809 -3.496 -21.750 1.00 55.41 C ATOM 1819 O VAL A 120 6.000 -2.583 -21.580 1.00 74.25 O ATOM 1820 CB VAL A 120 5.635 -5.321 -22.983 1.00 10.12 C ATOM 1821 CG1 VAL A 120 4.341 -4.531 -23.108 1.00 20.14 C ATOM 1822 CG2 VAL A 120 6.534 -5.081 -24.186 1.00 41.32 C ATOM 0 H VAL A 120 4.537 -5.018 -20.661 1.00 44.04 H new ATOM 0 HA VAL A 120 7.247 -5.591 -21.576 1.00 2.34 H new ATOM 0 HB VAL A 120 5.384 -6.381 -22.952 1.00 10.12 H new ATOM 0 HG11 VAL A 120 3.836 -4.804 -24.035 1.00 20.14 H new ATOM 0 HG12 VAL A 120 3.693 -4.758 -22.262 1.00 20.14 H new ATOM 0 HG13 VAL A 120 4.565 -3.464 -23.117 1.00 20.14 H new ATOM 0 HG21 VAL A 120 5.999 -5.346 -25.098 1.00 41.32 H new ATOM 0 HG22 VAL A 120 6.818 -4.029 -24.224 1.00 41.32 H new ATOM 0 HG23 VAL A 120 7.430 -5.696 -24.099 1.00 41.32 H new ATOM 1832 N VAL A 121 8.096 -3.283 -22.002 1.00 42.34 N ATOM 1833 CA VAL A 121 8.644 -1.935 -22.097 1.00 40.14 C ATOM 1834 C VAL A 121 9.645 -1.828 -23.243 1.00 14.24 C ATOM 1835 O VAL A 121 10.767 -2.323 -23.147 1.00 44.44 O ATOM 1836 CB VAL A 121 9.335 -1.516 -20.786 1.00 14.01 C ATOM 1837 CG1 VAL A 121 9.775 -0.062 -20.855 1.00 43.21 C ATOM 1838 CG2 VAL A 121 8.410 -1.745 -19.600 1.00 74.53 C ATOM 0 H VAL A 121 8.779 -4.027 -22.144 1.00 42.34 H new ATOM 0 HA VAL A 121 7.805 -1.265 -22.287 1.00 40.14 H new ATOM 0 HB VAL A 121 10.223 -2.133 -20.650 1.00 14.01 H new ATOM 0 HG11 VAL A 121 10.261 0.216 -19.920 1.00 43.21 H new ATOM 0 HG12 VAL A 121 10.475 0.067 -21.680 1.00 43.21 H new ATOM 0 HG13 VAL A 121 8.905 0.574 -21.014 1.00 43.21 H new ATOM 0 HG21 VAL A 121 8.914 -1.444 -18.682 1.00 74.53 H new ATOM 0 HG22 VAL A 121 7.503 -1.154 -19.727 1.00 74.53 H new ATOM 0 HG23 VAL A 121 8.149 -2.802 -19.541 1.00 74.53 H new ATOM 1848 N MET A 122 9.230 -1.178 -24.325 1.00 15.31 N ATOM 1849 CA MET A 122 10.091 -1.004 -25.489 1.00 31.02 C ATOM 1850 C MET A 122 10.548 0.446 -25.616 1.00 34.25 C ATOM 1851 O MET A 122 10.216 1.286 -24.780 1.00 14.45 O ATOM 1852 CB MET A 122 9.358 -1.433 -26.761 1.00 74.11 C ATOM 1853 CG MET A 122 8.293 -0.446 -27.211 1.00 50.22 C ATOM 1854 SD MET A 122 6.813 -1.260 -27.843 1.00 3.02 S ATOM 1855 CE MET A 122 5.570 -0.017 -27.500 1.00 3.12 C ATOM 0 H MET A 122 8.303 -0.763 -24.420 1.00 15.31 H new ATOM 0 HA MET A 122 10.971 -1.633 -25.356 1.00 31.02 H new ATOM 0 HB2 MET A 122 10.085 -1.562 -27.563 1.00 74.11 H new ATOM 0 HB3 MET A 122 8.893 -2.405 -26.593 1.00 74.11 H new ATOM 0 HG2 MET A 122 8.020 0.195 -26.373 1.00 50.22 H new ATOM 0 HG3 MET A 122 8.706 0.200 -27.985 1.00 50.22 H new ATOM 0 HE1 MET A 122 4.596 -0.374 -27.835 1.00 3.12 H new ATOM 0 HE2 MET A 122 5.536 0.178 -26.428 1.00 3.12 H new ATOM 0 HE3 MET A 122 5.820 0.903 -28.028 1.00 3.12 H new ATOM 1865 N ASP A 123 11.310 0.731 -26.665 1.00 4.41 N ATOM 1866 CA ASP A 123 11.812 2.080 -26.901 1.00 41.21 C ATOM 1867 C ASP A 123 12.513 2.624 -25.660 1.00 52.42 C ATOM 1868 O ASP A 123 12.437 3.817 -25.365 1.00 40.35 O ATOM 1869 CB ASP A 123 10.667 3.010 -27.304 1.00 54.12 C ATOM 1870 CG ASP A 123 11.161 4.345 -27.825 1.00 13.53 C ATOM 1871 OD1 ASP A 123 12.392 4.519 -27.937 1.00 41.10 O ATOM 1872 OD2 ASP A 123 10.316 5.217 -28.119 1.00 1.42 O ATOM 0 H ASP A 123 11.594 0.047 -27.366 1.00 4.41 H new ATOM 0 HA ASP A 123 12.536 2.034 -27.715 1.00 41.21 H new ATOM 0 HB2 ASP A 123 10.062 2.526 -28.071 1.00 54.12 H new ATOM 0 HB3 ASP A 123 10.018 3.177 -26.444 1.00 54.12 H new ATOM 1877 N ARG A 124 13.193 1.742 -24.936 1.00 64.23 N ATOM 1878 CA ARG A 124 13.906 2.133 -23.726 1.00 14.31 C ATOM 1879 C ARG A 124 15.103 1.220 -23.480 1.00 33.31 C ATOM 1880 O ARG A 124 15.002 -0.001 -23.611 1.00 40.20 O ATOM 1881 CB ARG A 124 12.965 2.095 -22.520 1.00 72.11 C ATOM 1882 CG ARG A 124 13.269 3.157 -21.476 1.00 63.40 C ATOM 1883 CD ARG A 124 12.780 4.527 -21.916 1.00 52.43 C ATOM 1884 NE ARG A 124 12.569 5.423 -20.783 1.00 11.54 N ATOM 1885 CZ ARG A 124 11.544 5.319 -19.944 1.00 54.44 C ATOM 1886 NH1 ARG A 124 10.641 4.363 -20.112 1.00 32.14 N ATOM 1887 NH2 ARG A 124 11.420 6.173 -18.936 1.00 22.11 N ATOM 0 H ARG A 124 13.265 0.751 -25.166 1.00 64.23 H new ATOM 0 HA ARG A 124 14.271 3.151 -23.862 1.00 14.31 H new ATOM 0 HB2 ARG A 124 11.939 2.221 -22.866 1.00 72.11 H new ATOM 0 HB3 ARG A 124 13.025 1.112 -22.054 1.00 72.11 H new ATOM 0 HG2 ARG A 124 12.796 2.887 -20.532 1.00 63.40 H new ATOM 0 HG3 ARG A 124 14.343 3.194 -21.295 1.00 63.40 H new ATOM 0 HD2 ARG A 124 13.507 4.969 -22.597 1.00 52.43 H new ATOM 0 HD3 ARG A 124 11.848 4.418 -22.471 1.00 52.43 H new ATOM 0 HE ARG A 124 13.246 6.170 -20.627 1.00 11.54 H new ATOM 0 HH11 ARG A 124 10.732 3.706 -20.886 1.00 32.14 H new ATOM 0 HH12 ARG A 124 9.855 4.285 -19.467 1.00 32.14 H new ATOM 0 HH21 ARG A 124 12.112 6.911 -18.804 1.00 22.11 H new ATOM 0 HH22 ARG A 124 10.633 6.092 -18.293 1.00 22.11 H new ATOM 1901 N CYS A 125 16.234 1.818 -23.124 1.00 13.44 N ATOM 1902 CA CYS A 125 17.451 1.059 -22.861 1.00 31.04 C ATOM 1903 C CYS A 125 18.106 1.515 -21.561 1.00 31.32 C ATOM 1904 O CYS A 125 18.333 2.703 -21.335 1.00 45.40 O ATOM 1905 CB CYS A 125 18.434 1.212 -24.022 1.00 53.52 C ATOM 1906 SG CYS A 125 19.739 -0.038 -24.055 1.00 72.53 S ATOM 0 H CYS A 125 16.334 2.827 -23.011 1.00 13.44 H new ATOM 0 HA CYS A 125 17.179 0.008 -22.761 1.00 31.04 H new ATOM 0 HB2 CYS A 125 17.881 1.169 -24.960 1.00 53.52 H new ATOM 0 HB3 CYS A 125 18.893 2.199 -23.968 1.00 53.52 H new ATOM 0 HG CYS A 125 19.599 -0.784 -25.110 1.00 72.53 H new ATOM 1912 N PRO A 126 18.415 0.549 -20.683 1.00 64.44 N ATOM 1913 CA PRO A 126 19.047 0.826 -19.390 1.00 44.42 C ATOM 1914 C PRO A 126 20.493 1.290 -19.539 1.00 35.30 C ATOM 1915 O PRO A 126 21.086 1.815 -18.597 1.00 52.14 O ATOM 1916 CB PRO A 126 18.990 -0.523 -18.670 1.00 60.21 C ATOM 1917 CG PRO A 126 18.937 -1.534 -19.763 1.00 43.13 C ATOM 1918 CD PRO A 126 18.173 -0.890 -20.886 1.00 53.44 C ATOM 0 HA PRO A 126 18.544 1.631 -18.855 1.00 44.42 H new ATOM 0 HB2 PRO A 126 19.864 -0.671 -18.036 1.00 60.21 H new ATOM 0 HB3 PRO A 126 18.114 -0.591 -18.025 1.00 60.21 H new ATOM 0 HG2 PRO A 126 19.940 -1.815 -20.084 1.00 43.13 H new ATOM 0 HG3 PRO A 126 18.443 -2.446 -19.428 1.00 43.13 H new ATOM 0 HD2 PRO A 126 18.532 -1.224 -21.859 1.00 53.44 H new ATOM 0 HD3 PRO A 126 17.111 -1.129 -20.838 1.00 53.44 H new ATOM 1926 N ALA A 127 21.053 1.092 -20.728 1.00 22.04 N ATOM 1927 CA ALA A 127 22.428 1.492 -21.000 1.00 1.12 C ATOM 1928 C ALA A 127 22.599 3.001 -20.860 1.00 74.02 C ATOM 1929 O ALA A 127 23.553 3.472 -20.241 1.00 13.43 O ATOM 1930 CB ALA A 127 22.844 1.038 -22.391 1.00 41.42 C ATOM 0 H ALA A 127 20.576 0.657 -21.518 1.00 22.04 H new ATOM 0 HA ALA A 127 23.073 1.010 -20.265 1.00 1.12 H new ATOM 0 HB1 ALA A 127 23.873 1.343 -22.581 1.00 41.42 H new ATOM 0 HB2 ALA A 127 22.770 -0.047 -22.457 1.00 41.42 H new ATOM 0 HB3 ALA A 127 22.188 1.492 -23.133 1.00 41.42 H new ATOM 1936 N ILE A 128 21.669 3.753 -21.440 1.00 62.20 N ATOM 1937 CA ILE A 128 21.717 5.208 -21.379 1.00 44.43 C ATOM 1938 C ILE A 128 20.805 5.743 -20.281 1.00 3.34 C ATOM 1939 O ILE A 128 20.973 6.870 -19.816 1.00 53.41 O ATOM 1940 CB ILE A 128 21.310 5.842 -22.723 1.00 20.32 C ATOM 1941 CG1 ILE A 128 22.115 5.223 -23.868 1.00 14.31 C ATOM 1942 CG2 ILE A 128 21.511 7.349 -22.680 1.00 43.14 C ATOM 1943 CD1 ILE A 128 21.695 5.715 -25.235 1.00 44.25 C ATOM 0 H ILE A 128 20.874 3.378 -21.957 1.00 62.20 H new ATOM 0 HA ILE A 128 22.749 5.480 -21.156 1.00 44.43 H new ATOM 0 HB ILE A 128 20.253 5.642 -22.898 1.00 20.32 H new ATOM 0 HG12 ILE A 128 23.172 5.444 -23.720 1.00 14.31 H new ATOM 0 HG13 ILE A 128 22.008 4.139 -23.832 1.00 14.31 H new ATOM 0 HG21 ILE A 128 21.219 7.782 -23.637 1.00 43.14 H new ATOM 0 HG22 ILE A 128 20.898 7.775 -21.886 1.00 43.14 H new ATOM 0 HG23 ILE A 128 22.560 7.571 -22.486 1.00 43.14 H new ATOM 0 HD11 ILE A 128 22.307 5.235 -25.998 1.00 44.25 H new ATOM 0 HD12 ILE A 128 20.646 5.470 -25.404 1.00 44.25 H new ATOM 0 HD13 ILE A 128 21.828 6.795 -25.290 1.00 44.25 H new