USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 103 SER OG : rot -99:sc= 1.15 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0.653 K(o=1.8,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 30:sc= 0.336 USER MOD Single : A 39 MET CE :methyl -146:sc= -3.29! (180deg=-4.45!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.73 USER MOD Single : A 53 SER OG : rot -43:sc= 0.00316 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -129:sc= 0.908 USER MOD Single : A 67 THR OG1 : rot -47:sc= 0.806 USER MOD Single : A 68 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-4.6!) USER MOD Single : A 71 MET CE :methyl -167:sc= -0.758 (180deg=-1.08) USER MOD Single : A 74 THR OG1 : rot 67:sc= -0.366 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=0.000595 USER MOD Single : A 83 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.32) USER MOD Single : A 87 MET CE :methyl 143:sc= -2.16! (180deg=-5.84!) USER MOD Single : A 94 CYS SG : rot -50:sc= 0.311 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 108 SER OG : rot -74:sc= 0.0536 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0.00679 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.224 -6.444 7.107 1.00 1.09 N ATOM 64 CA THR A 25 4.569 -5.932 5.794 1.00 0.85 C ATOM 65 C THR A 25 5.383 -6.986 5.041 1.00 1.01 C ATOM 66 O THR A 25 6.015 -7.839 5.667 1.00 1.99 O ATOM 67 CB THR A 25 5.372 -4.617 5.903 1.00 0.70 C ATOM 68 OG1 THR A 25 6.736 -4.884 6.237 1.00 0.83 O ATOM 69 CG2 THR A 25 4.790 -3.692 6.955 1.00 0.96 C ATOM 0 HA THR A 25 3.650 -5.717 5.249 1.00 0.85 H new ATOM 0 HB THR A 25 5.314 -4.130 4.929 1.00 0.70 H new ATOM 0 HG1 THR A 25 7.229 -4.039 6.300 1.00 0.83 H new ATOM 0 HG21 THR A 25 5.381 -2.778 7.003 1.00 0.96 H new ATOM 0 HG22 THR A 25 3.761 -3.445 6.694 1.00 0.96 H new ATOM 0 HG23 THR A 25 4.809 -4.187 7.926 1.00 0.96 H new ATOM 77 N ARG A 26 5.356 -6.953 3.709 1.00 0.78 N ATOM 78 CA ARG A 26 6.040 -7.983 2.933 1.00 0.81 C ATOM 79 C ARG A 26 7.200 -7.406 2.117 1.00 0.79 C ATOM 80 O ARG A 26 8.357 -7.532 2.504 1.00 0.95 O ATOM 81 CB ARG A 26 5.047 -8.716 2.022 1.00 1.04 C ATOM 82 CG ARG A 26 5.290 -10.218 1.944 1.00 1.15 C ATOM 83 CD ARG A 26 6.601 -10.544 1.246 1.00 1.19 C ATOM 84 NE ARG A 26 7.105 -11.865 1.622 1.00 1.65 N ATOM 85 CZ ARG A 26 7.710 -12.701 0.782 1.00 1.90 C ATOM 86 NH1 ARG A 26 7.778 -12.422 -0.515 1.00 2.06 N ATOM 87 NH2 ARG A 26 8.226 -13.835 1.240 1.00 2.51 N ATOM 0 H ARG A 26 4.879 -6.241 3.156 1.00 0.78 H new ATOM 0 HA ARG A 26 6.464 -8.699 3.637 1.00 0.81 H new ATOM 0 HB2 ARG A 26 4.034 -8.538 2.384 1.00 1.04 H new ATOM 0 HB3 ARG A 26 5.106 -8.294 1.019 1.00 1.04 H new ATOM 0 HG2 ARG A 26 5.300 -10.637 2.950 1.00 1.15 H new ATOM 0 HG3 ARG A 26 4.466 -10.692 1.410 1.00 1.15 H new ATOM 0 HD2 ARG A 26 6.457 -10.504 0.166 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.344 -9.787 1.497 1.00 1.19 H new ATOM 0 HE ARG A 26 6.985 -12.164 2.590 1.00 1.65 H new ATOM 0 HH11 ARG A 26 7.365 -11.561 -0.874 1.00 2.06 H new ATOM 0 HH12 ARG A 26 8.244 -13.068 -1.152 1.00 2.06 H new ATOM 0 HH21 ARG A 26 8.158 -14.062 2.232 1.00 2.51 H new ATOM 0 HH22 ARG A 26 8.691 -14.479 0.600 1.00 2.51 H new ATOM 101 N PHE A 27 6.889 -6.776 0.994 1.00 0.72 N ATOM 102 CA PHE A 27 7.924 -6.249 0.109 1.00 0.77 C ATOM 103 C PHE A 27 8.154 -4.768 0.390 1.00 0.71 C ATOM 104 O PHE A 27 7.331 -3.923 0.038 1.00 0.72 O ATOM 105 CB PHE A 27 7.526 -6.464 -1.353 1.00 0.88 C ATOM 106 CG PHE A 27 8.546 -5.987 -2.351 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.731 -6.682 -2.539 1.00 0.89 C ATOM 108 CD2 PHE A 27 8.323 -4.840 -3.096 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.672 -6.240 -3.447 1.00 1.25 C ATOM 110 CE2 PHE A 27 9.262 -4.396 -4.006 1.00 1.35 C ATOM 111 CZ PHE A 27 10.424 -5.111 -4.204 1.00 1.51 C ATOM 0 H PHE A 27 5.934 -6.616 0.673 1.00 0.72 H new ATOM 0 HA PHE A 27 8.855 -6.784 0.297 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.346 -7.527 -1.515 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.584 -5.949 -1.540 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.920 -7.579 -1.969 1.00 0.89 H new ATOM 0 HD2 PHE A 27 7.405 -4.287 -2.963 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.602 -6.776 -3.566 1.00 1.25 H new ATOM 0 HE2 PHE A 27 9.086 -3.488 -4.563 1.00 1.35 H new ATOM 0 HZ PHE A 27 11.138 -4.790 -4.948 1.00 1.51 H new ATOM 121 N PRO A 28 9.284 -4.430 1.024 1.00 0.72 N ATOM 122 CA PRO A 28 9.560 -3.069 1.472 1.00 0.81 C ATOM 123 C PRO A 28 9.916 -2.117 0.331 1.00 1.01 C ATOM 124 O PRO A 28 9.928 -0.899 0.520 1.00 2.02 O ATOM 125 CB PRO A 28 10.736 -3.224 2.449 1.00 0.91 C ATOM 126 CG PRO A 28 10.999 -4.694 2.563 1.00 1.03 C ATOM 127 CD PRO A 28 10.385 -5.341 1.356 1.00 0.76 C ATOM 0 HA PRO A 28 8.677 -2.621 1.928 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.618 -2.699 2.082 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.492 -2.796 3.422 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.070 -4.893 2.605 1.00 1.03 H new ATOM 0 HG3 PRO A 28 10.564 -5.094 3.479 1.00 1.03 H new ATOM 0 HD2 PRO A 28 11.099 -5.428 0.537 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.026 -6.347 1.575 1.00 0.76 H new ATOM 135 N GLY A 29 10.177 -2.674 -0.850 1.00 0.67 N ATOM 136 CA GLY A 29 10.481 -1.855 -2.018 1.00 0.68 C ATOM 137 C GLY A 29 9.341 -0.920 -2.383 1.00 0.65 C ATOM 138 O GLY A 29 9.552 0.132 -2.988 1.00 0.86 O ATOM 0 H GLY A 29 10.184 -3.679 -1.021 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.379 -1.269 -1.824 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.701 -2.504 -2.866 1.00 0.68 H new ATOM 142 N VAL A 30 8.130 -1.310 -2.015 1.00 0.69 N ATOM 143 CA VAL A 30 6.966 -0.451 -2.181 1.00 0.68 C ATOM 144 C VAL A 30 6.253 -0.312 -0.845 1.00 0.70 C ATOM 145 O VAL A 30 5.736 -1.286 -0.303 1.00 0.75 O ATOM 146 CB VAL A 30 5.969 -0.977 -3.243 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.720 -0.103 -3.289 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.616 -1.028 -4.620 1.00 1.15 C ATOM 0 H VAL A 30 7.927 -2.218 -1.598 1.00 0.69 H new ATOM 0 HA VAL A 30 7.327 0.515 -2.535 1.00 0.68 H new ATOM 0 HB VAL A 30 5.682 -1.989 -2.956 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.033 -0.490 -4.041 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.233 -0.112 -2.314 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.000 0.919 -3.545 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.895 -1.401 -5.347 1.00 1.15 H new ATOM 0 HG22 VAL A 30 6.938 -0.027 -4.908 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.479 -1.693 -4.592 1.00 1.15 H new ATOM 158 N ALA A 31 6.268 0.889 -0.299 1.00 0.71 N ATOM 159 CA ALA A 31 5.562 1.164 0.936 1.00 0.73 C ATOM 160 C ALA A 31 4.323 1.982 0.635 1.00 0.65 C ATOM 161 O ALA A 31 4.320 2.793 -0.296 1.00 0.76 O ATOM 162 CB ALA A 31 6.462 1.881 1.923 1.00 0.84 C ATOM 0 H ALA A 31 6.762 1.690 -0.692 1.00 0.71 H new ATOM 0 HA ALA A 31 5.261 0.222 1.394 1.00 0.73 H new ATOM 0 HB1 ALA A 31 5.910 2.077 2.842 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.328 1.257 2.145 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.796 2.825 1.492 1.00 0.84 H new ATOM 168 N ILE A 32 3.289 1.799 1.436 1.00 0.57 N ATOM 169 CA ILE A 32 1.979 2.317 1.096 1.00 0.48 C ATOM 170 C ILE A 32 1.390 3.086 2.262 1.00 0.44 C ATOM 171 O ILE A 32 1.365 2.600 3.391 1.00 0.54 O ATOM 172 CB ILE A 32 1.022 1.178 0.687 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.697 0.285 -0.359 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.278 1.743 0.143 1.00 0.49 C ATOM 175 CD1 ILE A 32 0.854 -0.880 -0.816 1.00 0.67 C ATOM 0 H ILE A 32 3.332 1.297 2.323 1.00 0.57 H new ATOM 0 HA ILE A 32 2.099 2.992 0.249 1.00 0.48 H new ATOM 0 HB ILE A 32 0.790 0.579 1.568 1.00 0.49 H new ATOM 0 HG12 ILE A 32 1.957 0.893 -1.226 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.631 -0.097 0.054 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.940 0.925 -0.140 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.759 2.351 0.909 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.069 2.360 -0.731 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.406 -1.460 -1.555 1.00 0.67 H new ATOM 0 HD12 ILE A 32 0.615 -1.514 0.038 1.00 0.67 H new ATOM 0 HD13 ILE A 32 -0.069 -0.509 -1.261 1.00 0.67 H new ATOM 187 N TYR A 33 0.909 4.277 1.970 1.00 0.38 N ATOM 188 CA TYR A 33 0.364 5.150 2.988 1.00 0.38 C ATOM 189 C TYR A 33 -1.132 5.283 2.774 1.00 0.34 C ATOM 190 O TYR A 33 -1.576 5.842 1.773 1.00 0.41 O ATOM 191 CB TYR A 33 1.033 6.525 2.930 1.00 0.54 C ATOM 192 CG TYR A 33 1.094 7.242 4.264 1.00 0.58 C ATOM 193 CD1 TYR A 33 0.012 7.966 4.751 1.00 0.56 C ATOM 194 CD2 TYR A 33 2.252 7.202 5.035 1.00 1.01 C ATOM 195 CE1 TYR A 33 0.085 8.633 5.963 1.00 0.64 C ATOM 196 CE2 TYR A 33 2.329 7.861 6.246 1.00 1.18 C ATOM 197 CZ TYR A 33 1.248 8.574 6.707 1.00 0.90 C ATOM 198 OH TYR A 33 1.334 9.242 7.913 1.00 1.11 O ATOM 0 H TYR A 33 0.885 4.665 1.027 1.00 0.38 H new ATOM 0 HA TYR A 33 0.556 4.723 3.972 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.046 6.408 2.546 1.00 0.54 H new ATOM 0 HB3 TYR A 33 0.493 7.150 2.219 1.00 0.54 H new ATOM 0 HD1 TYR A 33 -0.901 8.009 4.175 1.00 0.56 H new ATOM 0 HD2 TYR A 33 3.106 6.645 4.679 1.00 1.01 H new ATOM 0 HE1 TYR A 33 -0.763 9.196 6.325 1.00 0.64 H new ATOM 0 HE2 TYR A 33 3.237 7.816 6.830 1.00 1.18 H new ATOM 0 HH TYR A 33 0.446 9.291 8.324 1.00 1.11 H new ATOM 208 N LEU A 34 -1.906 4.793 3.726 1.00 0.33 N ATOM 209 CA LEU A 34 -3.345 4.745 3.568 1.00 0.36 C ATOM 210 C LEU A 34 -3.943 5.789 4.487 1.00 0.31 C ATOM 211 O LEU A 34 -3.794 5.699 5.706 1.00 0.35 O ATOM 212 CB LEU A 34 -3.942 3.363 3.921 1.00 0.45 C ATOM 213 CG LEU A 34 -3.321 2.116 3.253 1.00 0.64 C ATOM 214 CD1 LEU A 34 -3.356 2.229 1.743 1.00 1.18 C ATOM 215 CD2 LEU A 34 -1.908 1.850 3.751 1.00 1.06 C ATOM 0 H LEU A 34 -1.562 4.424 4.613 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.581 4.935 2.521 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.871 3.234 5.001 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -5.003 3.383 3.671 1.00 0.45 H new ATOM 0 HG LEU A 34 -3.931 1.260 3.540 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.912 1.337 1.301 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -4.389 2.324 1.409 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -2.792 3.108 1.431 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -1.508 0.965 3.256 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -1.275 2.708 3.526 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -1.927 1.686 4.828 1.00 1.06 H new ATOM 227 N VAL A 35 -4.578 6.798 3.916 1.00 0.31 N ATOM 228 CA VAL A 35 -5.203 7.835 4.718 1.00 0.34 C ATOM 229 C VAL A 35 -6.438 7.275 5.405 1.00 0.46 C ATOM 230 O VAL A 35 -7.546 7.421 4.915 1.00 0.72 O ATOM 231 CB VAL A 35 -5.608 9.050 3.868 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.989 10.232 4.747 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.500 9.434 2.902 1.00 1.39 C ATOM 0 H VAL A 35 -4.674 6.921 2.908 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.473 8.165 5.457 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.484 8.768 3.284 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.271 11.077 4.119 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.830 9.956 5.383 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -5.139 10.511 5.370 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.813 10.296 2.313 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.599 9.685 3.462 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.291 8.597 2.236 1.00 1.39 H new ATOM 243 N GLU A 36 -6.225 6.620 6.532 1.00 0.59 N ATOM 244 CA GLU A 36 -7.300 5.974 7.284 1.00 0.77 C ATOM 245 C GLU A 36 -8.408 6.952 7.706 1.00 0.71 C ATOM 246 O GLU A 36 -9.583 6.589 7.656 1.00 0.79 O ATOM 247 CB GLU A 36 -6.738 5.238 8.498 1.00 1.03 C ATOM 248 CG GLU A 36 -5.791 4.114 8.119 1.00 1.76 C ATOM 249 CD GLU A 36 -5.400 3.256 9.298 1.00 1.96 C ATOM 250 OE1 GLU A 36 -6.127 2.289 9.606 1.00 2.24 O ATOM 251 OE2 GLU A 36 -4.373 3.561 9.942 1.00 2.34 O ATOM 0 H GLU A 36 -5.303 6.518 6.957 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.763 5.252 6.611 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -6.214 5.949 9.137 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -7.562 4.830 9.084 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -6.262 3.489 7.361 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.893 4.538 7.670 1.00 1.76 H new ATOM 258 N PRO A 37 -8.077 8.196 8.144 1.00 0.70 N ATOM 259 CA PRO A 37 -9.097 9.230 8.411 1.00 0.83 C ATOM 260 C PRO A 37 -9.918 9.587 7.168 1.00 0.90 C ATOM 261 O PRO A 37 -10.877 10.354 7.241 1.00 1.46 O ATOM 262 CB PRO A 37 -8.276 10.443 8.863 1.00 0.91 C ATOM 263 CG PRO A 37 -6.995 9.873 9.353 1.00 0.91 C ATOM 264 CD PRO A 37 -6.722 8.681 8.483 1.00 0.73 C ATOM 0 HA PRO A 37 -9.825 8.888 9.147 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.110 11.138 8.040 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.789 10.997 9.649 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.189 10.603 9.281 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -7.071 9.584 10.401 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.157 8.953 7.592 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.142 7.922 9.009 1.00 0.73 H new ATOM 272 N ARG A 38 -9.527 9.025 6.035 1.00 0.89 N ATOM 273 CA ARG A 38 -10.196 9.260 4.768 1.00 0.93 C ATOM 274 C ARG A 38 -10.242 7.946 3.981 1.00 0.92 C ATOM 275 O ARG A 38 -9.947 7.897 2.785 1.00 1.42 O ATOM 276 CB ARG A 38 -9.440 10.342 3.989 1.00 0.99 C ATOM 277 CG ARG A 38 -10.156 10.825 2.746 1.00 1.31 C ATOM 278 CD ARG A 38 -11.435 11.560 3.085 1.00 1.06 C ATOM 279 NE ARG A 38 -11.170 12.857 3.710 1.00 1.41 N ATOM 280 CZ ARG A 38 -11.893 13.366 4.703 1.00 1.91 C ATOM 281 NH1 ARG A 38 -12.881 12.659 5.242 1.00 2.37 N ATOM 282 NH2 ARG A 38 -11.617 14.580 5.166 1.00 2.60 N ATOM 0 H ARG A 38 -8.732 8.390 5.970 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.216 9.606 4.933 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.265 11.193 4.648 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -8.463 9.953 3.704 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.497 11.483 2.180 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -10.385 9.974 2.104 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -12.021 11.707 2.177 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -12.037 10.949 3.757 1.00 1.06 H new ATOM 0 HE ARG A 38 -10.382 13.404 3.362 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -13.087 11.723 4.894 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -13.433 13.053 6.004 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -10.852 15.119 4.760 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -12.170 14.973 5.928 1.00 2.60 H new ATOM 296 N MET A 39 -10.574 6.873 4.684 1.00 0.73 N ATOM 297 CA MET A 39 -10.589 5.537 4.105 1.00 0.74 C ATOM 298 C MET A 39 -11.501 4.631 4.916 1.00 0.74 C ATOM 299 O MET A 39 -11.374 4.556 6.138 1.00 1.05 O ATOM 300 CB MET A 39 -9.172 4.950 4.096 1.00 0.80 C ATOM 301 CG MET A 39 -9.087 3.544 3.524 1.00 1.19 C ATOM 302 SD MET A 39 -9.184 3.509 1.725 1.00 1.27 S ATOM 303 CE MET A 39 -7.710 4.434 1.296 1.00 0.61 C ATOM 0 H MET A 39 -10.840 6.903 5.668 1.00 0.73 H new ATOM 0 HA MET A 39 -10.958 5.605 3.082 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.522 5.606 3.517 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.788 4.940 5.116 1.00 0.80 H new ATOM 0 HG2 MET A 39 -8.151 3.085 3.841 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.894 2.940 3.938 1.00 1.19 H new ATOM 0 HE1 MET A 39 -7.893 5.010 0.389 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.456 5.112 2.111 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.884 3.744 1.127 1.00 0.61 H new ATOM 313 N GLY A 40 -12.424 3.968 4.245 1.00 1.32 N ATOM 314 CA GLY A 40 -13.264 2.999 4.920 1.00 1.52 C ATOM 315 C GLY A 40 -12.462 1.802 5.388 1.00 1.39 C ATOM 316 O GLY A 40 -11.681 1.242 4.621 1.00 1.36 O ATOM 0 H GLY A 40 -12.609 4.080 3.248 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.750 3.470 5.775 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.054 2.668 4.246 1.00 1.52 H new ATOM 320 N ARG A 41 -12.640 1.419 6.646 1.00 1.34 N ATOM 321 CA ARG A 41 -11.884 0.314 7.237 1.00 1.26 C ATOM 322 C ARG A 41 -12.181 -1.013 6.544 1.00 1.15 C ATOM 323 O ARG A 41 -11.319 -1.887 6.495 1.00 1.03 O ATOM 324 CB ARG A 41 -12.186 0.204 8.729 1.00 1.42 C ATOM 325 CG ARG A 41 -11.340 -0.839 9.435 1.00 1.79 C ATOM 326 CD ARG A 41 -11.728 -0.982 10.896 1.00 1.72 C ATOM 327 NE ARG A 41 -13.103 -1.442 11.045 1.00 2.20 N ATOM 328 CZ ARG A 41 -13.447 -2.581 11.635 1.00 2.49 C ATOM 329 NH1 ARG A 41 -12.523 -3.359 12.191 1.00 2.51 N ATOM 330 NH2 ARG A 41 -14.724 -2.933 11.683 1.00 3.20 N ATOM 0 H ARG A 41 -13.305 1.858 7.283 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.825 0.531 7.098 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -12.022 1.174 9.199 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -13.240 -0.041 8.863 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -11.453 -1.800 8.933 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -10.288 -0.564 9.363 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -11.054 -1.685 11.385 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -11.608 -0.023 11.400 1.00 1.72 H new ATOM 0 HE ARG A 41 -13.847 -0.852 10.673 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -11.541 -3.083 12.166 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -12.796 -4.232 12.642 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -15.435 -2.331 11.268 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -14.996 -3.806 12.134 1.00 3.20 H new ATOM 344 N SER A 42 -13.385 -1.162 6.010 1.00 1.23 N ATOM 345 CA SER A 42 -13.728 -2.364 5.266 1.00 1.19 C ATOM 346 C SER A 42 -12.804 -2.494 4.057 1.00 1.02 C ATOM 347 O SER A 42 -12.282 -3.571 3.765 1.00 0.94 O ATOM 348 CB SER A 42 -15.195 -2.321 4.819 1.00 1.38 C ATOM 349 OG SER A 42 -15.638 -3.594 4.376 1.00 2.00 O ATOM 0 H SER A 42 -14.134 -0.473 6.077 1.00 1.23 H new ATOM 0 HA SER A 42 -13.598 -3.233 5.911 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.819 -1.984 5.646 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.311 -1.594 4.016 1.00 1.38 H new ATOM 0 HG SER A 42 -16.576 -3.536 4.099 1.00 2.00 H new ATOM 355 N ARG A 43 -12.576 -1.375 3.380 1.00 1.01 N ATOM 356 CA ARG A 43 -11.670 -1.340 2.244 1.00 0.91 C ATOM 357 C ARG A 43 -10.235 -1.370 2.737 1.00 0.74 C ATOM 358 O ARG A 43 -9.372 -1.998 2.130 1.00 0.60 O ATOM 359 CB ARG A 43 -11.893 -0.081 1.404 1.00 1.08 C ATOM 360 CG ARG A 43 -11.095 -0.066 0.109 1.00 1.13 C ATOM 361 CD ARG A 43 -11.124 1.304 -0.546 1.00 1.08 C ATOM 362 NE ARG A 43 -10.573 1.286 -1.904 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.138 1.907 -2.946 1.00 1.74 C ATOM 364 NH1 ARG A 43 -12.235 2.635 -2.784 1.00 2.48 N ATOM 365 NH2 ARG A 43 -10.588 1.819 -4.151 1.00 2.23 N ATOM 0 H ARG A 43 -13.009 -0.478 3.601 1.00 1.01 H new ATOM 0 HA ARG A 43 -11.867 -2.212 1.620 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -12.954 0.006 1.169 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.625 0.794 1.997 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -10.063 -0.351 0.313 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -11.501 -0.808 -0.579 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -12.151 1.666 -0.579 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.557 2.007 0.064 1.00 1.08 H new ATOM 0 HE ARG A 43 -9.708 0.770 -2.064 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -12.655 2.725 -1.859 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -12.658 3.105 -3.584 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.734 1.278 -4.283 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -11.020 2.293 -4.944 1.00 2.23 H new ATOM 379 N ARG A 44 -9.994 -0.674 3.844 1.00 0.81 N ATOM 380 CA ARG A 44 -8.674 -0.623 4.458 1.00 0.77 C ATOM 381 C ARG A 44 -8.174 -2.033 4.704 1.00 0.68 C ATOM 382 O ARG A 44 -7.136 -2.421 4.187 1.00 0.62 O ATOM 383 CB ARG A 44 -8.741 0.151 5.779 1.00 0.95 C ATOM 384 CG ARG A 44 -7.443 0.827 6.202 1.00 0.98 C ATOM 385 CD ARG A 44 -6.424 -0.152 6.767 1.00 1.46 C ATOM 386 NE ARG A 44 -5.415 0.542 7.565 1.00 1.62 N ATOM 387 CZ ARG A 44 -4.099 0.378 7.439 1.00 2.09 C ATOM 388 NH1 ARG A 44 -3.602 -0.520 6.591 1.00 2.72 N ATOM 389 NH2 ARG A 44 -3.276 1.109 8.184 1.00 2.57 N ATOM 0 H ARG A 44 -10.704 -0.133 4.337 1.00 0.81 H new ATOM 0 HA ARG A 44 -7.984 -0.111 3.787 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.518 0.911 5.697 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.048 -0.535 6.568 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -7.010 1.340 5.344 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -7.663 1.588 6.951 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.931 -0.895 7.382 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -5.941 -0.690 5.951 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.743 1.201 8.271 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -4.231 -1.093 6.028 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -2.592 -0.635 6.504 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -3.654 1.788 8.845 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -2.267 0.991 8.095 1.00 2.57 H new ATOM 403 N ALA A 45 -8.919 -2.786 5.502 1.00 0.82 N ATOM 404 CA ALA A 45 -8.601 -4.180 5.763 1.00 0.77 C ATOM 405 C ALA A 45 -8.351 -4.964 4.472 1.00 0.61 C ATOM 406 O ALA A 45 -7.316 -5.619 4.325 1.00 0.58 O ATOM 407 CB ALA A 45 -9.723 -4.829 6.561 1.00 0.91 C ATOM 0 H ALA A 45 -9.754 -2.450 5.982 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.679 -4.204 6.343 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.477 -5.873 6.752 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.845 -4.306 7.509 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.652 -4.773 5.994 1.00 0.91 H new ATOM 413 N PHE A 46 -9.302 -4.875 3.548 1.00 0.63 N ATOM 414 CA PHE A 46 -9.236 -5.591 2.279 1.00 0.57 C ATOM 415 C PHE A 46 -7.953 -5.258 1.496 1.00 0.44 C ATOM 416 O PHE A 46 -7.246 -6.161 1.054 1.00 0.44 O ATOM 417 CB PHE A 46 -10.526 -5.308 1.481 1.00 0.69 C ATOM 418 CG PHE A 46 -10.343 -4.910 0.043 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.203 -3.577 -0.294 1.00 0.57 C ATOM 420 CD2 PHE A 46 -10.341 -5.856 -0.968 1.00 0.74 C ATOM 421 CE1 PHE A 46 -10.053 -3.191 -1.604 1.00 0.61 C ATOM 422 CE2 PHE A 46 -10.197 -5.474 -2.287 1.00 0.78 C ATOM 423 CZ PHE A 46 -10.052 -4.139 -2.607 1.00 0.71 C ATOM 0 H PHE A 46 -10.140 -4.304 3.658 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.178 -6.663 2.466 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.151 -6.200 1.513 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.076 -4.515 1.989 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.212 -2.828 0.484 1.00 0.57 H new ATOM 0 HD2 PHE A 46 -10.453 -6.902 -0.723 1.00 0.74 H new ATOM 0 HE1 PHE A 46 -9.936 -2.146 -1.849 1.00 0.61 H new ATOM 0 HE2 PHE A 46 -10.198 -6.220 -3.068 1.00 0.78 H new ATOM 0 HZ PHE A 46 -9.938 -3.838 -3.638 1.00 0.71 H new ATOM 433 N LEU A 47 -7.634 -3.974 1.353 1.00 0.39 N ATOM 434 CA LEU A 47 -6.414 -3.555 0.662 1.00 0.35 C ATOM 435 C LEU A 47 -5.181 -3.898 1.469 1.00 0.38 C ATOM 436 O LEU A 47 -4.103 -4.029 0.916 1.00 0.47 O ATOM 437 CB LEU A 47 -6.444 -2.051 0.371 1.00 0.36 C ATOM 438 CG LEU A 47 -6.326 -1.152 1.599 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.874 -0.832 1.914 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.121 0.120 1.406 1.00 0.42 C ATOM 0 H LEU A 47 -8.203 -3.204 1.706 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.370 -4.098 -0.282 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.630 -1.813 -0.314 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.375 -1.815 -0.145 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.739 -1.695 2.449 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.825 -0.190 2.794 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.332 -1.757 2.109 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.422 -0.319 1.065 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -7.024 0.747 2.292 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.742 0.658 0.537 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.171 -0.127 1.249 1.00 0.42 H new ATOM 452 N THR A 48 -5.340 -4.078 2.765 1.00 0.40 N ATOM 453 CA THR A 48 -4.197 -4.358 3.611 1.00 0.48 C ATOM 454 C THR A 48 -3.817 -5.827 3.465 1.00 0.48 C ATOM 455 O THR A 48 -2.697 -6.149 3.073 1.00 0.57 O ATOM 456 CB THR A 48 -4.485 -4.012 5.086 1.00 0.59 C ATOM 457 OG1 THR A 48 -4.801 -2.618 5.199 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.293 -4.325 5.973 1.00 0.69 C ATOM 0 H THR A 48 -6.236 -4.036 3.250 1.00 0.40 H new ATOM 0 HA THR A 48 -3.364 -3.731 3.293 1.00 0.48 H new ATOM 0 HB THR A 48 -5.328 -4.620 5.415 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.641 -2.434 4.729 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.531 -4.069 7.006 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.060 -5.388 5.907 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.432 -3.743 5.644 1.00 0.69 H new ATOM 466 N GLY A 49 -4.769 -6.710 3.760 1.00 0.45 N ATOM 467 CA GLY A 49 -4.558 -8.135 3.579 1.00 0.50 C ATOM 468 C GLY A 49 -4.137 -8.489 2.171 1.00 0.42 C ATOM 469 O GLY A 49 -3.279 -9.353 1.968 1.00 0.42 O ATOM 0 H GLY A 49 -5.689 -6.460 4.124 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.795 -8.477 4.279 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.477 -8.668 3.824 1.00 0.50 H new ATOM 473 N LEU A 50 -4.708 -7.794 1.200 1.00 0.43 N ATOM 474 CA LEU A 50 -4.391 -8.071 -0.187 1.00 0.42 C ATOM 475 C LEU A 50 -2.997 -7.582 -0.516 1.00 0.41 C ATOM 476 O LEU A 50 -2.165 -8.356 -0.978 1.00 0.46 O ATOM 477 CB LEU A 50 -5.406 -7.452 -1.145 1.00 0.44 C ATOM 478 CG LEU A 50 -6.733 -8.197 -1.255 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.567 -7.602 -2.373 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.492 -9.682 -1.488 1.00 0.48 C ATOM 0 H LEU A 50 -5.384 -7.044 1.346 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.435 -9.152 -0.319 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.607 -6.430 -0.825 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -4.957 -7.393 -2.137 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.280 -8.088 -0.319 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.513 -8.138 -2.446 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.761 -6.550 -2.162 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.027 -7.689 -3.316 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.449 -10.198 -1.564 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -5.931 -9.819 -2.413 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -5.923 -10.093 -0.654 1.00 0.48 H new ATOM 492 N ALA A 51 -2.736 -6.312 -0.234 1.00 0.38 N ATOM 493 CA ALA A 51 -1.454 -5.692 -0.570 1.00 0.39 C ATOM 494 C ALA A 51 -0.273 -6.449 0.029 1.00 0.43 C ATOM 495 O ALA A 51 0.754 -6.626 -0.630 1.00 0.47 O ATOM 496 CB ALA A 51 -1.441 -4.242 -0.124 1.00 0.38 C ATOM 0 H ALA A 51 -3.396 -5.686 0.228 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.344 -5.734 -1.654 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.482 -3.791 -0.379 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.242 -3.700 -0.626 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.590 -4.192 0.955 1.00 0.38 H new ATOM 502 N ARG A 52 -0.431 -6.908 1.269 1.00 0.45 N ATOM 503 CA ARG A 52 0.613 -7.682 1.934 1.00 0.51 C ATOM 504 C ARG A 52 0.951 -8.932 1.130 1.00 0.60 C ATOM 505 O ARG A 52 2.118 -9.267 0.945 1.00 0.75 O ATOM 506 CB ARG A 52 0.175 -8.099 3.342 1.00 0.54 C ATOM 507 CG ARG A 52 -0.115 -6.936 4.270 1.00 1.12 C ATOM 508 CD ARG A 52 -0.554 -7.413 5.649 1.00 1.04 C ATOM 509 NE ARG A 52 -1.751 -8.251 5.603 1.00 1.51 N ATOM 510 CZ ARG A 52 -2.650 -8.312 6.588 1.00 1.87 C ATOM 511 NH1 ARG A 52 -2.502 -7.566 7.674 1.00 1.75 N ATOM 512 NH2 ARG A 52 -3.694 -9.124 6.486 1.00 2.79 N ATOM 0 H ARG A 52 -1.269 -6.758 1.831 1.00 0.45 H new ATOM 0 HA ARG A 52 1.495 -7.046 2.007 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.718 -8.719 3.264 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.955 -8.718 3.785 1.00 0.54 H new ATOM 0 HG2 ARG A 52 0.776 -6.316 4.366 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.894 -6.310 3.836 1.00 1.12 H new ATOM 0 HD2 ARG A 52 0.259 -7.973 6.111 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -0.746 -6.548 6.284 1.00 1.04 H new ATOM 0 HE ARG A 52 -1.908 -8.821 4.772 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -1.699 -6.943 7.759 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -3.191 -7.615 8.424 1.00 1.75 H new ATOM 0 HH21 ARG A 52 -3.811 -9.703 5.654 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -4.380 -9.170 7.239 1.00 2.79 H new ATOM 526 N SER A 53 -0.081 -9.617 0.662 1.00 0.54 N ATOM 527 CA SER A 53 0.101 -10.858 -0.069 1.00 0.61 C ATOM 528 C SER A 53 0.482 -10.600 -1.530 1.00 0.61 C ATOM 529 O SER A 53 0.941 -11.508 -2.224 1.00 0.69 O ATOM 530 CB SER A 53 -1.182 -11.691 0.012 1.00 0.63 C ATOM 531 OG SER A 53 -0.927 -13.059 -0.267 1.00 1.36 O ATOM 0 H SER A 53 -1.054 -9.333 0.776 1.00 0.54 H new ATOM 0 HA SER A 53 0.923 -11.410 0.388 1.00 0.61 H new ATOM 0 HB2 SER A 53 -1.618 -11.596 1.006 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.915 -11.304 -0.696 1.00 0.63 H new ATOM 0 HG SER A 53 -0.316 -13.129 -1.030 1.00 1.36 H new ATOM 537 N LYS A 54 0.311 -9.365 -1.995 1.00 0.57 N ATOM 538 CA LYS A 54 0.583 -9.046 -3.393 1.00 0.60 C ATOM 539 C LYS A 54 2.071 -8.851 -3.652 1.00 0.63 C ATOM 540 O LYS A 54 2.665 -9.586 -4.438 1.00 0.76 O ATOM 541 CB LYS A 54 -0.192 -7.804 -3.846 1.00 0.56 C ATOM 542 CG LYS A 54 -1.699 -7.977 -3.808 1.00 0.54 C ATOM 543 CD LYS A 54 -2.129 -9.255 -4.506 1.00 0.60 C ATOM 544 CE LYS A 54 -3.626 -9.489 -4.376 1.00 0.64 C ATOM 545 NZ LYS A 54 -4.058 -10.724 -5.082 1.00 0.83 N ATOM 0 H LYS A 54 -0.011 -8.578 -1.432 1.00 0.57 H new ATOM 0 HA LYS A 54 0.244 -9.901 -3.978 1.00 0.60 H new ATOM 0 HB2 LYS A 54 0.084 -6.963 -3.210 1.00 0.56 H new ATOM 0 HB3 LYS A 54 0.110 -7.549 -4.862 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.038 -7.995 -2.772 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.177 -7.122 -4.286 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.859 -9.202 -5.561 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.590 -10.101 -4.081 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -3.892 -9.562 -3.321 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.164 -8.632 -4.782 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -5.084 -10.847 -4.969 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.828 -10.644 -6.093 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.564 -11.545 -4.678 1.00 0.83 H new ATOM 559 N GLY A 55 2.682 -7.881 -2.987 1.00 0.56 N ATOM 560 CA GLY A 55 4.088 -7.598 -3.229 1.00 0.61 C ATOM 561 C GLY A 55 4.476 -6.186 -2.823 1.00 0.54 C ATOM 562 O GLY A 55 5.303 -5.552 -3.472 1.00 0.57 O ATOM 0 H GLY A 55 2.236 -7.287 -2.288 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.699 -8.312 -2.677 1.00 0.61 H new ATOM 0 HA3 GLY A 55 4.307 -7.742 -4.287 1.00 0.61 H new ATOM 566 N PHE A 56 3.859 -5.697 -1.755 1.00 0.50 N ATOM 567 CA PHE A 56 4.226 -4.417 -1.152 1.00 0.47 C ATOM 568 C PHE A 56 4.145 -4.562 0.353 1.00 0.42 C ATOM 569 O PHE A 56 3.509 -5.500 0.839 1.00 0.65 O ATOM 570 CB PHE A 56 3.256 -3.309 -1.585 1.00 0.66 C ATOM 571 CG PHE A 56 2.605 -3.522 -2.922 1.00 0.56 C ATOM 572 CD1 PHE A 56 3.221 -3.074 -4.081 1.00 0.61 C ATOM 573 CD2 PHE A 56 1.389 -4.170 -3.024 1.00 0.53 C ATOM 574 CE1 PHE A 56 2.634 -3.269 -5.313 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.798 -4.368 -4.256 1.00 0.48 C ATOM 576 CZ PHE A 56 1.386 -3.915 -5.386 1.00 0.47 C ATOM 0 H PHE A 56 3.091 -6.173 -1.281 1.00 0.50 H new ATOM 0 HA PHE A 56 5.232 -4.149 -1.474 1.00 0.47 H new ATOM 0 HB2 PHE A 56 2.476 -3.214 -0.829 1.00 0.66 H new ATOM 0 HB3 PHE A 56 3.796 -2.362 -1.607 1.00 0.66 H new ATOM 0 HD1 PHE A 56 4.172 -2.566 -4.018 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.896 -4.525 -2.131 1.00 0.53 H new ATOM 0 HE1 PHE A 56 3.127 -2.930 -6.212 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.145 -4.891 -4.318 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.900 -4.048 -6.341 1.00 0.47 H new ATOM 586 N ARG A 57 4.801 -3.697 1.117 1.00 0.46 N ATOM 587 CA ARG A 57 4.563 -3.640 2.541 1.00 0.68 C ATOM 588 C ARG A 57 3.439 -2.671 2.872 1.00 0.79 C ATOM 589 O ARG A 57 2.728 -2.200 1.990 1.00 1.17 O ATOM 590 CB ARG A 57 5.849 -3.196 3.251 1.00 0.93 C ATOM 591 CG ARG A 57 6.451 -1.900 2.737 1.00 0.72 C ATOM 592 CD ARG A 57 7.576 -1.430 3.646 1.00 1.01 C ATOM 593 NE ARG A 57 8.458 -0.463 2.992 1.00 1.72 N ATOM 594 CZ ARG A 57 9.239 0.399 3.646 1.00 2.00 C ATOM 595 NH1 ARG A 57 9.197 0.484 4.970 1.00 1.80 N ATOM 596 NH2 ARG A 57 10.063 1.188 2.973 1.00 3.00 N ATOM 0 H ARG A 57 5.495 -3.034 0.772 1.00 0.46 H new ATOM 0 HA ARG A 57 4.268 -4.632 2.882 1.00 0.68 H new ATOM 0 HB2 ARG A 57 5.639 -3.085 4.315 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.592 -3.988 3.154 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.831 -2.046 1.726 1.00 0.72 H new ATOM 0 HG3 ARG A 57 5.679 -1.133 2.680 1.00 0.72 H new ATOM 0 HD2 ARG A 57 7.150 -0.980 4.543 1.00 1.01 H new ATOM 0 HD3 ARG A 57 8.162 -2.291 3.969 1.00 1.01 H new ATOM 0 HE ARG A 57 8.477 -0.447 1.972 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.562 -0.114 5.500 1.00 1.80 H new ATOM 0 HH12 ARG A 57 9.799 1.147 5.458 1.00 1.80 H new ATOM 0 HH21 ARG A 57 10.100 1.137 1.955 1.00 3.00 H new ATOM 0 HH22 ARG A 57 10.660 1.847 3.473 1.00 3.00 H new ATOM 610 N VAL A 58 3.315 -2.350 4.151 1.00 0.67 N ATOM 611 CA VAL A 58 2.289 -1.449 4.621 1.00 0.69 C ATOM 612 C VAL A 58 2.933 -0.403 5.518 1.00 0.68 C ATOM 613 O VAL A 58 3.517 -0.740 6.546 1.00 0.73 O ATOM 614 CB VAL A 58 1.175 -2.182 5.403 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.091 -1.210 5.844 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.572 -3.303 4.570 1.00 0.88 C ATOM 0 H VAL A 58 3.924 -2.709 4.886 1.00 0.67 H new ATOM 0 HA VAL A 58 1.822 -0.986 3.752 1.00 0.69 H new ATOM 0 HB VAL A 58 1.627 -2.620 6.293 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.681 -1.750 6.392 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.527 -0.447 6.489 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.351 -0.736 4.968 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.209 -3.803 5.143 1.00 0.88 H new ATOM 0 HG22 VAL A 58 0.144 -2.888 3.658 1.00 0.88 H new ATOM 0 HG23 VAL A 58 1.349 -4.023 4.312 1.00 0.88 H new ATOM 626 N LEU A 59 2.851 0.852 5.121 1.00 0.70 N ATOM 627 CA LEU A 59 3.526 1.914 5.844 1.00 0.77 C ATOM 628 C LEU A 59 2.611 2.460 6.934 1.00 0.91 C ATOM 629 O LEU A 59 1.441 2.765 6.688 1.00 1.02 O ATOM 630 CB LEU A 59 3.957 3.014 4.864 1.00 0.74 C ATOM 631 CG LEU A 59 5.241 3.773 5.218 1.00 0.87 C ATOM 632 CD1 LEU A 59 5.009 4.746 6.358 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.362 2.803 5.567 1.00 0.99 C ATOM 0 H LEU A 59 2.325 1.162 4.304 1.00 0.70 H new ATOM 0 HA LEU A 59 4.422 1.522 6.325 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.086 2.564 3.880 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.145 3.736 4.781 1.00 0.74 H new ATOM 0 HG LEU A 59 5.539 4.347 4.340 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.938 5.269 6.585 1.00 1.13 H new ATOM 0 HD12 LEU A 59 4.247 5.470 6.069 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.675 4.200 7.240 1.00 1.13 H new ATOM 0 HD21 LEU A 59 7.264 3.363 5.815 1.00 0.99 H new ATOM 0 HD22 LEU A 59 6.065 2.196 6.422 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.561 2.154 4.714 1.00 0.99 H new ATOM 645 N ASP A 60 3.145 2.545 8.144 1.00 1.06 N ATOM 646 CA ASP A 60 2.378 2.994 9.301 1.00 1.31 C ATOM 647 C ASP A 60 2.264 4.519 9.309 1.00 1.32 C ATOM 648 O ASP A 60 2.917 5.200 8.518 1.00 2.09 O ATOM 649 CB ASP A 60 3.044 2.483 10.590 1.00 1.89 C ATOM 650 CG ASP A 60 2.226 2.762 11.837 1.00 2.15 C ATOM 651 OD1 ASP A 60 0.981 2.739 11.755 1.00 2.30 O ATOM 652 OD2 ASP A 60 2.823 3.021 12.902 1.00 2.89 O ATOM 0 H ASP A 60 4.115 2.307 8.353 1.00 1.06 H new ATOM 0 HA ASP A 60 1.369 2.586 9.244 1.00 1.31 H new ATOM 0 HB2 ASP A 60 3.209 1.409 10.505 1.00 1.89 H new ATOM 0 HB3 ASP A 60 4.024 2.949 10.694 1.00 1.89 H new ATOM 657 N ALA A 61 1.460 5.057 10.215 1.00 1.32 N ATOM 658 CA ALA A 61 1.189 6.485 10.237 1.00 1.55 C ATOM 659 C ALA A 61 2.367 7.253 10.824 1.00 1.25 C ATOM 660 O ALA A 61 3.220 6.675 11.502 1.00 1.76 O ATOM 661 CB ALA A 61 -0.076 6.769 11.034 1.00 2.66 C ATOM 0 H ALA A 61 0.985 4.525 10.944 1.00 1.32 H new ATOM 0 HA ALA A 61 1.042 6.820 9.210 1.00 1.55 H new ATOM 0 HB1 ALA A 61 -0.267 7.842 11.043 1.00 2.66 H new ATOM 0 HB2 ALA A 61 -0.919 6.254 10.574 1.00 2.66 H new ATOM 0 HB3 ALA A 61 0.051 6.415 12.057 1.00 2.66 H new ATOM 667 N CYS A 62 2.414 8.550 10.519 1.00 1.19 N ATOM 668 CA CYS A 62 3.476 9.455 10.978 1.00 1.18 C ATOM 669 C CYS A 62 4.778 9.248 10.198 1.00 1.18 C ATOM 670 O CYS A 62 5.481 10.214 9.895 1.00 1.66 O ATOM 671 CB CYS A 62 3.723 9.307 12.486 1.00 1.44 C ATOM 672 SG CYS A 62 2.259 9.621 13.502 1.00 2.09 S ATOM 0 H CYS A 62 1.710 9.009 9.941 1.00 1.19 H new ATOM 0 HA CYS A 62 3.131 10.471 10.786 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.084 8.299 12.688 1.00 1.44 H new ATOM 0 HB3 CYS A 62 4.514 9.995 12.784 1.00 1.44 H new ATOM 0 HG CYS A 62 2.562 9.471 14.757 1.00 2.09 H new ATOM 678 N SER A 63 5.082 7.999 9.857 1.00 1.03 N ATOM 679 CA SER A 63 6.308 7.670 9.136 1.00 1.07 C ATOM 680 C SER A 63 6.273 8.215 7.706 1.00 1.01 C ATOM 681 O SER A 63 5.231 8.220 7.053 1.00 1.03 O ATOM 682 CB SER A 63 6.518 6.157 9.126 1.00 1.23 C ATOM 683 OG SER A 63 6.612 5.640 10.446 1.00 1.76 O ATOM 0 H SER A 63 4.493 7.194 10.070 1.00 1.03 H new ATOM 0 HA SER A 63 7.145 8.142 9.651 1.00 1.07 H new ATOM 0 HB2 SER A 63 5.691 5.676 8.603 1.00 1.23 H new ATOM 0 HB3 SER A 63 7.427 5.917 8.574 1.00 1.23 H new ATOM 0 HG SER A 63 6.744 4.670 10.409 1.00 1.76 H new ATOM 689 N SER A 64 7.417 8.683 7.232 1.00 1.04 N ATOM 690 CA SER A 64 7.510 9.317 5.925 1.00 1.05 C ATOM 691 C SER A 64 8.144 8.398 4.879 1.00 0.99 C ATOM 692 O SER A 64 8.411 8.826 3.757 1.00 1.01 O ATOM 693 CB SER A 64 8.315 10.611 6.050 1.00 1.23 C ATOM 694 OG SER A 64 7.750 11.458 7.041 1.00 1.95 O ATOM 0 H SER A 64 8.302 8.635 7.738 1.00 1.04 H new ATOM 0 HA SER A 64 6.498 9.536 5.584 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.348 10.379 6.308 1.00 1.23 H new ATOM 0 HB3 SER A 64 8.334 11.128 5.090 1.00 1.23 H new ATOM 0 HG SER A 64 7.620 12.355 6.669 1.00 1.95 H new ATOM 700 N GLU A 65 8.380 7.138 5.236 1.00 0.97 N ATOM 701 CA GLU A 65 9.108 6.222 4.357 1.00 0.96 C ATOM 702 C GLU A 65 8.183 5.556 3.330 1.00 0.83 C ATOM 703 O GLU A 65 8.581 4.633 2.618 1.00 0.86 O ATOM 704 CB GLU A 65 9.830 5.161 5.186 1.00 1.04 C ATOM 705 CG GLU A 65 10.922 4.435 4.416 1.00 1.17 C ATOM 706 CD GLU A 65 11.653 3.415 5.256 1.00 1.41 C ATOM 707 OE1 GLU A 65 11.208 2.251 5.305 1.00 1.51 O ATOM 708 OE2 GLU A 65 12.681 3.770 5.869 1.00 1.70 O ATOM 0 H GLU A 65 8.081 6.729 6.121 1.00 0.97 H new ATOM 0 HA GLU A 65 9.841 6.809 3.804 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.268 5.633 6.065 1.00 1.04 H new ATOM 0 HB3 GLU A 65 9.102 4.433 5.544 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.481 3.938 3.552 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.637 5.164 4.035 1.00 1.17 H new ATOM 715 N ALA A 66 6.945 6.013 3.262 1.00 0.78 N ATOM 716 CA ALA A 66 6.019 5.535 2.243 1.00 0.71 C ATOM 717 C ALA A 66 6.333 6.195 0.911 1.00 0.66 C ATOM 718 O ALA A 66 6.897 7.290 0.880 1.00 0.90 O ATOM 719 CB ALA A 66 4.586 5.835 2.645 1.00 0.80 C ATOM 0 H ALA A 66 6.556 6.711 3.896 1.00 0.78 H new ATOM 0 HA ALA A 66 6.134 4.455 2.145 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.908 5.471 1.873 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.361 5.338 3.589 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.459 6.911 2.762 1.00 0.80 H new ATOM 725 N THR A 67 5.984 5.545 -0.190 1.00 0.57 N ATOM 726 CA THR A 67 6.170 6.171 -1.485 1.00 0.51 C ATOM 727 C THR A 67 4.893 6.070 -2.320 1.00 0.41 C ATOM 728 O THR A 67 4.929 6.095 -3.548 1.00 0.55 O ATOM 729 CB THR A 67 7.352 5.497 -2.229 1.00 0.62 C ATOM 730 OG1 THR A 67 7.614 6.151 -3.474 1.00 0.67 O ATOM 731 CG2 THR A 67 7.070 4.014 -2.472 1.00 0.70 C ATOM 0 H THR A 67 5.581 4.608 -0.212 1.00 0.57 H new ATOM 0 HA THR A 67 6.398 7.226 -1.335 1.00 0.51 H new ATOM 0 HB THR A 67 8.234 5.587 -1.594 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.772 6.281 -3.959 1.00 0.67 H new ATOM 0 HG21 THR A 67 7.914 3.564 -2.995 1.00 0.70 H new ATOM 0 HG22 THR A 67 6.925 3.510 -1.517 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.170 3.909 -3.078 1.00 0.70 H new ATOM 739 N HIS A 68 3.759 6.014 -1.632 1.00 0.50 N ATOM 740 CA HIS A 68 2.453 6.166 -2.269 1.00 0.42 C ATOM 741 C HIS A 68 1.402 6.507 -1.241 1.00 0.44 C ATOM 742 O HIS A 68 0.995 5.659 -0.446 1.00 0.61 O ATOM 743 CB HIS A 68 2.024 4.895 -3.022 1.00 0.51 C ATOM 744 CG HIS A 68 2.465 4.834 -4.459 1.00 0.50 C ATOM 745 ND1 HIS A 68 1.882 5.581 -5.461 1.00 1.34 N ATOM 746 CD2 HIS A 68 3.427 4.093 -5.062 1.00 1.05 C ATOM 747 CE1 HIS A 68 2.463 5.297 -6.613 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.402 4.398 -6.402 1.00 0.72 N ATOM 0 H HIS A 68 3.716 5.863 -0.624 1.00 0.50 H new ATOM 0 HA HIS A 68 2.547 6.977 -2.992 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.422 4.027 -2.497 1.00 0.51 H new ATOM 0 HB3 HIS A 68 0.937 4.818 -2.986 1.00 0.51 H new ATOM 0 HD2 HIS A 68 4.091 3.392 -4.578 1.00 1.05 H new ATOM 0 HE1 HIS A 68 2.210 5.730 -7.569 1.00 1.10 H new ATOM 0 HE2 HIS A 68 4.010 3.995 -7.115 1.00 0.72 H new ATOM 757 N VAL A 69 0.994 7.754 -1.252 1.00 0.37 N ATOM 758 CA VAL A 69 -0.135 8.187 -0.469 1.00 0.36 C ATOM 759 C VAL A 69 -1.421 7.975 -1.265 1.00 0.34 C ATOM 760 O VAL A 69 -1.548 8.426 -2.398 1.00 0.43 O ATOM 761 CB VAL A 69 0.000 9.676 -0.074 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.281 10.178 0.552 1.00 0.49 C ATOM 763 CG2 VAL A 69 1.170 9.881 0.880 1.00 0.43 C ATOM 0 H VAL A 69 1.434 8.492 -1.801 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.168 7.595 0.446 1.00 0.36 H new ATOM 0 HB VAL A 69 0.193 10.249 -0.981 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.167 11.227 0.823 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.099 10.075 -0.161 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.502 9.594 1.446 1.00 0.49 H new ATOM 0 HG21 VAL A 69 1.244 10.936 1.143 1.00 0.43 H new ATOM 0 HG22 VAL A 69 1.010 9.292 1.783 1.00 0.43 H new ATOM 0 HG23 VAL A 69 2.094 9.562 0.397 1.00 0.43 H new ATOM 773 N VAL A 70 -2.350 7.271 -0.643 1.00 0.35 N ATOM 774 CA VAL A 70 -3.615 6.887 -1.247 1.00 0.36 C ATOM 775 C VAL A 70 -4.746 7.104 -0.244 1.00 0.39 C ATOM 776 O VAL A 70 -4.561 6.928 0.965 1.00 0.65 O ATOM 777 CB VAL A 70 -3.605 5.412 -1.681 1.00 0.46 C ATOM 778 CG1 VAL A 70 -2.834 5.226 -2.976 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.026 4.526 -0.598 1.00 0.69 C ATOM 0 H VAL A 70 -2.244 6.943 0.317 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.768 7.506 -2.131 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.641 5.117 -1.851 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -2.844 4.173 -3.258 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.299 5.817 -3.765 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.804 5.554 -2.837 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -3.032 3.489 -0.934 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.002 4.833 -0.386 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.627 4.618 0.307 1.00 0.69 H new ATOM 789 N MET A 71 -5.908 7.475 -0.748 1.00 0.35 N ATOM 790 CA MET A 71 -7.062 7.760 0.094 1.00 0.34 C ATOM 791 C MET A 71 -8.334 7.564 -0.708 1.00 0.30 C ATOM 792 O MET A 71 -8.283 7.483 -1.934 1.00 0.37 O ATOM 793 CB MET A 71 -6.999 9.178 0.673 1.00 0.45 C ATOM 794 CG MET A 71 -7.288 10.290 -0.318 1.00 1.06 C ATOM 795 SD MET A 71 -6.050 10.448 -1.612 1.00 1.38 S ATOM 796 CE MET A 71 -4.601 10.877 -0.649 1.00 1.68 C ATOM 0 H MET A 71 -6.082 7.588 -1.747 1.00 0.35 H new ATOM 0 HA MET A 71 -7.056 7.067 0.936 1.00 0.34 H new ATOM 0 HB2 MET A 71 -7.711 9.250 1.495 1.00 0.45 H new ATOM 0 HB3 MET A 71 -6.007 9.338 1.096 1.00 0.45 H new ATOM 0 HG2 MET A 71 -8.260 10.111 -0.778 1.00 1.06 H new ATOM 0 HG3 MET A 71 -7.360 11.235 0.221 1.00 1.06 H new ATOM 0 HE1 MET A 71 -3.814 11.231 -1.314 1.00 1.68 H new ATOM 0 HE2 MET A 71 -4.856 11.663 0.062 1.00 1.68 H new ATOM 0 HE3 MET A 71 -4.250 9.998 -0.108 1.00 1.68 H new ATOM 806 N GLU A 72 -9.465 7.482 -0.025 1.00 0.33 N ATOM 807 CA GLU A 72 -10.742 7.287 -0.694 1.00 0.39 C ATOM 808 C GLU A 72 -11.630 8.520 -0.498 1.00 0.41 C ATOM 809 O GLU A 72 -11.443 9.273 0.456 1.00 0.49 O ATOM 810 CB GLU A 72 -11.447 6.041 -0.141 1.00 0.56 C ATOM 811 CG GLU A 72 -12.665 5.619 -0.947 1.00 1.10 C ATOM 812 CD GLU A 72 -13.514 4.591 -0.233 1.00 1.59 C ATOM 813 OE1 GLU A 72 -14.343 4.983 0.612 1.00 2.28 O ATOM 814 OE2 GLU A 72 -13.361 3.384 -0.515 1.00 1.94 O ATOM 0 H GLU A 72 -9.525 7.547 0.991 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.561 7.144 -1.759 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.737 5.215 -0.113 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.752 6.234 0.888 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -13.273 6.497 -1.165 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -12.338 5.212 -1.904 1.00 1.10 H new ATOM 821 N GLU A 73 -12.573 8.729 -1.420 1.00 0.51 N ATOM 822 CA GLU A 73 -13.570 9.805 -1.312 1.00 0.68 C ATOM 823 C GLU A 73 -12.906 11.179 -1.352 1.00 0.66 C ATOM 824 O GLU A 73 -13.376 12.125 -0.719 1.00 0.81 O ATOM 825 CB GLU A 73 -14.375 9.674 -0.011 1.00 0.87 C ATOM 826 CG GLU A 73 -14.966 8.293 0.222 1.00 1.08 C ATOM 827 CD GLU A 73 -15.686 8.183 1.553 1.00 1.30 C ATOM 828 OE1 GLU A 73 -15.072 8.477 2.602 1.00 1.74 O ATOM 829 OE2 GLU A 73 -16.876 7.809 1.559 1.00 1.54 O ATOM 0 H GLU A 73 -12.670 8.161 -2.261 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.242 9.710 -2.165 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -13.729 9.926 0.830 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.183 10.405 -0.022 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.662 8.059 -0.584 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.170 7.550 0.181 1.00 1.08 H new ATOM 836 N THR A 74 -11.821 11.295 -2.095 1.00 0.57 N ATOM 837 CA THR A 74 -11.021 12.500 -2.055 1.00 0.56 C ATOM 838 C THR A 74 -10.708 13.025 -3.450 1.00 0.56 C ATOM 839 O THR A 74 -10.305 12.272 -4.338 1.00 0.75 O ATOM 840 CB THR A 74 -9.714 12.207 -1.308 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.020 11.654 -0.028 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.878 13.455 -1.121 1.00 0.63 C ATOM 0 H THR A 74 -11.477 10.574 -2.729 1.00 0.57 H new ATOM 0 HA THR A 74 -11.593 13.270 -1.537 1.00 0.56 H new ATOM 0 HB THR A 74 -9.137 11.502 -1.906 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.426 10.769 -0.142 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.962 13.202 -0.588 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.627 13.874 -2.095 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.443 14.188 -0.545 1.00 0.63 H new ATOM 850 N SER A 75 -10.928 14.318 -3.640 1.00 0.55 N ATOM 851 CA SER A 75 -10.485 14.999 -4.840 1.00 0.63 C ATOM 852 C SER A 75 -9.115 15.621 -4.574 1.00 0.53 C ATOM 853 O SER A 75 -8.601 15.525 -3.458 1.00 0.52 O ATOM 854 CB SER A 75 -11.500 16.067 -5.251 1.00 0.76 C ATOM 855 OG SER A 75 -12.771 15.491 -5.518 1.00 1.31 O ATOM 0 H SER A 75 -11.414 14.916 -2.972 1.00 0.55 H new ATOM 0 HA SER A 75 -10.404 14.287 -5.662 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.593 16.809 -4.458 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.142 16.591 -6.137 1.00 0.76 H new ATOM 0 HG SER A 75 -13.401 16.195 -5.777 1.00 1.31 H new ATOM 861 N ALA A 76 -8.541 16.255 -5.591 1.00 0.52 N ATOM 862 CA ALA A 76 -7.200 16.824 -5.496 1.00 0.49 C ATOM 863 C ALA A 76 -7.024 17.686 -4.246 1.00 0.40 C ATOM 864 O ALA A 76 -6.190 17.386 -3.393 1.00 0.41 O ATOM 865 CB ALA A 76 -6.900 17.648 -6.738 1.00 0.57 C ATOM 0 H ALA A 76 -8.988 16.389 -6.498 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.497 15.994 -5.422 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -5.898 18.070 -6.661 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -6.959 17.011 -7.620 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.628 18.455 -6.824 1.00 0.57 H new ATOM 871 N GLU A 77 -7.825 18.745 -4.149 1.00 0.42 N ATOM 872 CA GLU A 77 -7.734 19.727 -3.065 1.00 0.44 C ATOM 873 C GLU A 77 -7.649 19.069 -1.700 1.00 0.38 C ATOM 874 O GLU A 77 -6.691 19.279 -0.954 1.00 0.39 O ATOM 875 CB GLU A 77 -8.962 20.633 -3.072 1.00 0.61 C ATOM 876 CG GLU A 77 -9.380 21.091 -4.449 1.00 1.06 C ATOM 877 CD GLU A 77 -10.330 20.130 -5.142 1.00 1.33 C ATOM 878 OE1 GLU A 77 -9.854 19.193 -5.817 1.00 1.80 O ATOM 879 OE2 GLU A 77 -11.560 20.317 -5.019 1.00 1.91 O ATOM 0 H GLU A 77 -8.562 18.949 -4.824 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.823 20.300 -3.239 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -9.794 20.103 -2.608 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.758 21.508 -2.455 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -9.857 22.068 -4.370 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -8.491 21.220 -5.066 1.00 1.06 H new ATOM 886 N GLU A 78 -8.690 18.324 -1.376 1.00 0.41 N ATOM 887 CA GLU A 78 -8.766 17.585 -0.105 1.00 0.43 C ATOM 888 C GLU A 78 -7.458 16.861 0.221 1.00 0.38 C ATOM 889 O GLU A 78 -6.935 16.978 1.333 1.00 0.40 O ATOM 890 CB GLU A 78 -9.890 16.547 -0.126 1.00 0.51 C ATOM 891 CG GLU A 78 -11.282 17.118 -0.294 1.00 0.59 C ATOM 892 CD GLU A 78 -11.685 17.253 -1.740 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.325 18.265 -2.370 1.00 1.38 O ATOM 894 OE2 GLU A 78 -12.364 16.340 -2.256 1.00 1.95 O ATOM 0 H GLU A 78 -9.508 18.207 -1.974 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.964 18.335 0.661 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.701 15.844 -0.938 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.856 15.978 0.803 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.998 16.476 0.220 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.329 18.096 0.185 1.00 0.59 H new ATOM 901 N ALA A 79 -6.937 16.116 -0.744 1.00 0.34 N ATOM 902 CA ALA A 79 -5.715 15.347 -0.533 1.00 0.32 C ATOM 903 C ALA A 79 -4.491 16.256 -0.485 1.00 0.33 C ATOM 904 O ALA A 79 -3.470 15.897 0.094 1.00 0.38 O ATOM 905 CB ALA A 79 -5.553 14.278 -1.604 1.00 0.32 C ATOM 0 H ALA A 79 -7.338 16.027 -1.678 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.799 14.850 0.433 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.635 13.719 -1.424 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.404 13.598 -1.571 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.504 14.750 -2.585 1.00 0.32 H new ATOM 911 N VAL A 80 -4.593 17.428 -1.092 1.00 0.33 N ATOM 912 CA VAL A 80 -3.527 18.421 -1.015 1.00 0.39 C ATOM 913 C VAL A 80 -3.420 18.983 0.405 1.00 0.45 C ATOM 914 O VAL A 80 -2.322 19.124 0.942 1.00 0.52 O ATOM 915 CB VAL A 80 -3.729 19.564 -2.035 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.739 20.692 -1.794 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.586 19.037 -3.452 1.00 0.44 C ATOM 0 H VAL A 80 -5.401 17.717 -1.643 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.594 17.918 -1.268 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.736 19.960 -1.903 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.903 21.483 -2.526 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.880 21.092 -0.790 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.722 20.311 -1.893 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.731 19.853 -4.160 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.590 18.614 -3.584 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.334 18.265 -3.630 1.00 0.44 H new ATOM 927 N SER A 81 -4.559 19.303 1.011 1.00 0.46 N ATOM 928 CA SER A 81 -4.591 19.695 2.417 1.00 0.55 C ATOM 929 C SER A 81 -4.060 18.553 3.286 1.00 0.53 C ATOM 930 O SER A 81 -3.286 18.759 4.222 1.00 0.59 O ATOM 931 CB SER A 81 -6.026 20.044 2.822 1.00 0.59 C ATOM 932 OG SER A 81 -6.621 20.910 1.869 1.00 1.03 O ATOM 0 H SER A 81 -5.470 19.299 0.553 1.00 0.46 H new ATOM 0 HA SER A 81 -3.959 20.571 2.562 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.616 19.132 2.910 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.027 20.520 3.803 1.00 0.59 H new ATOM 0 HG SER A 81 -7.538 21.120 2.145 1.00 1.03 H new ATOM 938 N TRP A 82 -4.518 17.352 2.970 1.00 0.46 N ATOM 939 CA TRP A 82 -3.974 16.148 3.581 1.00 0.47 C ATOM 940 C TRP A 82 -2.444 16.107 3.427 1.00 0.48 C ATOM 941 O TRP A 82 -1.721 15.819 4.386 1.00 0.52 O ATOM 942 CB TRP A 82 -4.615 14.894 2.986 1.00 0.46 C ATOM 943 CG TRP A 82 -3.765 13.680 3.157 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.172 12.968 2.164 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.372 13.061 4.389 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.445 11.939 2.697 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.551 11.973 4.058 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.637 13.317 5.740 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.990 11.141 5.017 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -3.077 12.488 6.694 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.260 11.411 6.327 1.00 0.43 C ATOM 0 H TRP A 82 -5.264 17.184 2.295 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.210 16.171 4.645 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.582 14.725 3.459 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.803 15.055 1.924 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.261 13.183 1.109 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.909 11.255 2.163 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.266 14.145 6.031 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.362 10.309 4.736 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.273 12.674 7.740 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.836 10.782 7.096 1.00 0.43 H new ATOM 962 N GLN A 83 -1.961 16.395 2.220 1.00 0.49 N ATOM 963 CA GLN A 83 -0.527 16.468 1.946 1.00 0.55 C ATOM 964 C GLN A 83 0.157 17.475 2.868 1.00 0.60 C ATOM 965 O GLN A 83 1.301 17.276 3.272 1.00 0.61 O ATOM 966 CB GLN A 83 -0.297 16.852 0.484 1.00 0.64 C ATOM 967 CG GLN A 83 1.165 17.047 0.102 1.00 0.84 C ATOM 968 CD GLN A 83 1.434 18.423 -0.480 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.538 18.956 -0.370 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.415 19.022 -1.080 1.00 0.98 N ATOM 0 H GLN A 83 -2.549 16.583 1.408 1.00 0.49 H new ATOM 0 HA GLN A 83 -0.091 15.487 2.134 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.725 16.078 -0.153 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.840 17.774 0.274 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.790 16.900 0.983 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.452 16.286 -0.624 1.00 0.84 H new ATOM 0 HE21 GLN A 83 -0.485 18.548 -1.152 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.531 19.957 -1.470 1.00 0.98 H new ATOM 979 N GLU A 84 -0.552 18.547 3.193 1.00 0.68 N ATOM 980 CA GLU A 84 -0.046 19.555 4.121 1.00 0.78 C ATOM 981 C GLU A 84 0.194 18.952 5.504 1.00 0.82 C ATOM 982 O GLU A 84 1.217 19.220 6.130 1.00 0.95 O ATOM 983 CB GLU A 84 -1.023 20.724 4.211 1.00 0.86 C ATOM 984 CG GLU A 84 -1.010 21.622 2.991 1.00 0.94 C ATOM 985 CD GLU A 84 0.250 22.455 2.904 1.00 1.25 C ATOM 986 OE1 GLU A 84 0.470 23.292 3.805 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.005 22.303 1.922 1.00 1.61 O ATOM 0 H GLU A 84 -1.484 18.744 2.827 1.00 0.68 H new ATOM 0 HA GLU A 84 0.908 19.922 3.743 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -2.031 20.334 4.354 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.784 21.319 5.092 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -1.102 21.012 2.093 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.878 22.281 3.019 1.00 0.94 H new ATOM 994 N ARG A 85 -0.751 18.144 5.981 1.00 0.77 N ATOM 995 CA ARG A 85 -0.572 17.432 7.246 1.00 0.87 C ATOM 996 C ARG A 85 0.638 16.508 7.167 1.00 0.80 C ATOM 997 O ARG A 85 1.415 16.397 8.114 1.00 0.93 O ATOM 998 CB ARG A 85 -1.813 16.615 7.614 1.00 0.96 C ATOM 999 CG ARG A 85 -3.043 17.455 7.907 1.00 1.23 C ATOM 1000 CD ARG A 85 -4.140 16.618 8.549 1.00 1.45 C ATOM 1001 NE ARG A 85 -5.343 17.403 8.812 1.00 2.09 N ATOM 1002 CZ ARG A 85 -5.880 17.571 10.021 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -5.351 16.978 11.085 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -6.967 18.317 10.167 1.00 3.26 N ATOM 0 H ARG A 85 -1.641 17.966 5.516 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.412 18.181 8.022 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.040 15.931 6.797 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.587 16.004 8.488 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -2.775 18.278 8.569 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -3.413 17.897 6.982 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -4.388 15.782 7.895 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.773 16.193 9.483 1.00 1.45 H new ATOM 0 HE ARG A 85 -5.802 17.852 8.020 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -4.526 16.387 10.982 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -5.770 17.113 12.005 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -7.393 18.763 9.354 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -7.377 18.445 11.092 1.00 3.26 H new ATOM 1018 N ARG A 86 0.779 15.842 6.026 1.00 0.71 N ATOM 1019 CA ARG A 86 1.941 15.002 5.756 1.00 0.80 C ATOM 1020 C ARG A 86 3.225 15.828 5.865 1.00 0.75 C ATOM 1021 O ARG A 86 4.173 15.435 6.545 1.00 0.78 O ATOM 1022 CB ARG A 86 1.815 14.387 4.354 1.00 0.96 C ATOM 1023 CG ARG A 86 2.942 13.440 3.965 1.00 1.18 C ATOM 1024 CD ARG A 86 2.786 12.063 4.601 1.00 1.04 C ATOM 1025 NE ARG A 86 2.904 12.099 6.061 1.00 1.92 N ATOM 1026 CZ ARG A 86 4.044 11.877 6.720 1.00 2.68 C ATOM 1027 NH1 ARG A 86 5.170 11.666 6.049 1.00 2.91 N ATOM 1028 NH2 ARG A 86 4.062 11.890 8.046 1.00 3.72 N ATOM 0 H ARG A 86 0.097 15.868 5.268 1.00 0.71 H new ATOM 0 HA ARG A 86 1.985 14.200 6.493 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.870 13.848 4.294 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.769 15.194 3.622 1.00 0.96 H new ATOM 0 HG2 ARG A 86 2.968 13.336 2.880 1.00 1.18 H new ATOM 0 HG3 ARG A 86 3.896 13.871 4.267 1.00 1.18 H new ATOM 0 HD2 ARG A 86 1.815 11.649 4.329 1.00 1.04 H new ATOM 0 HD3 ARG A 86 3.543 11.392 4.196 1.00 1.04 H new ATOM 0 HE ARG A 86 2.067 12.306 6.606 1.00 1.92 H new ATOM 0 HH11 ARG A 86 5.165 11.673 5.029 1.00 2.91 H new ATOM 0 HH12 ARG A 86 6.040 11.497 6.553 1.00 2.91 H new ATOM 0 HH21 ARG A 86 3.203 12.070 8.566 1.00 3.72 H new ATOM 0 HH22 ARG A 86 4.935 11.720 8.546 1.00 3.72 H new ATOM 1042 N MET A 87 3.233 16.971 5.186 1.00 0.77 N ATOM 1043 CA MET A 87 4.362 17.904 5.228 1.00 0.89 C ATOM 1044 C MET A 87 4.652 18.380 6.649 1.00 0.93 C ATOM 1045 O MET A 87 5.802 18.392 7.077 1.00 1.01 O ATOM 1046 CB MET A 87 4.100 19.114 4.326 1.00 1.11 C ATOM 1047 CG MET A 87 4.043 18.797 2.833 1.00 1.21 C ATOM 1048 SD MET A 87 5.669 18.639 2.051 1.00 1.69 S ATOM 1049 CE MET A 87 6.248 17.061 2.681 1.00 1.11 C ATOM 0 H MET A 87 2.462 17.279 4.593 1.00 0.77 H new ATOM 0 HA MET A 87 5.236 17.363 4.864 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.157 19.573 4.622 1.00 1.11 H new ATOM 0 HB3 MET A 87 4.882 19.854 4.497 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.491 17.868 2.690 1.00 1.21 H new ATOM 0 HG3 MET A 87 3.482 19.583 2.326 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.802 16.539 1.901 1.00 1.11 H new ATOM 0 HE2 MET A 87 6.900 17.229 3.538 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.394 16.456 2.987 1.00 1.11 H new ATOM 1059 N ALA A 88 3.611 18.781 7.369 1.00 0.97 N ATOM 1060 CA ALA A 88 3.751 19.249 8.746 1.00 1.13 C ATOM 1061 C ALA A 88 4.396 18.202 9.658 1.00 1.14 C ATOM 1062 O ALA A 88 4.971 18.542 10.693 1.00 1.29 O ATOM 1063 CB ALA A 88 2.395 19.658 9.299 1.00 1.32 C ATOM 0 H ALA A 88 2.653 18.792 7.020 1.00 0.97 H new ATOM 0 HA ALA A 88 4.416 20.112 8.726 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.510 20.005 10.326 1.00 1.32 H new ATOM 0 HB2 ALA A 88 1.980 20.461 8.689 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.721 18.802 9.279 1.00 1.32 H new ATOM 1069 N ALA A 89 4.297 16.935 9.278 1.00 1.05 N ATOM 1070 CA ALA A 89 4.874 15.857 10.071 1.00 1.18 C ATOM 1071 C ALA A 89 6.278 15.515 9.583 1.00 1.20 C ATOM 1072 O ALA A 89 6.994 14.730 10.210 1.00 1.45 O ATOM 1073 CB ALA A 89 3.978 14.628 10.023 1.00 1.25 C ATOM 0 H ALA A 89 3.824 16.629 8.428 1.00 1.05 H new ATOM 0 HA ALA A 89 4.948 16.194 11.105 1.00 1.18 H new ATOM 0 HB1 ALA A 89 4.421 13.831 10.620 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.996 14.878 10.424 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.874 14.294 8.991 1.00 1.25 H new ATOM 1079 N ALA A 90 6.663 16.108 8.466 1.00 1.01 N ATOM 1080 CA ALA A 90 7.965 15.870 7.869 1.00 1.10 C ATOM 1081 C ALA A 90 8.922 17.014 8.195 1.00 1.12 C ATOM 1082 O ALA A 90 8.491 18.143 8.434 1.00 1.00 O ATOM 1083 CB ALA A 90 7.821 15.708 6.363 1.00 1.05 C ATOM 0 H ALA A 90 6.082 16.767 7.948 1.00 1.01 H new ATOM 0 HA ALA A 90 8.380 14.952 8.285 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.801 15.530 5.921 1.00 1.05 H new ATOM 0 HB2 ALA A 90 7.167 14.863 6.149 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.391 16.616 5.939 1.00 1.05 H new ATOM 1089 N PRO A 91 10.230 16.734 8.240 1.00 1.40 N ATOM 1090 CA PRO A 91 11.251 17.764 8.438 1.00 1.57 C ATOM 1091 C PRO A 91 11.367 18.675 7.217 1.00 1.45 C ATOM 1092 O PRO A 91 11.485 18.191 6.088 1.00 1.42 O ATOM 1093 CB PRO A 91 12.549 16.968 8.636 1.00 1.91 C ATOM 1094 CG PRO A 91 12.126 15.551 8.844 1.00 1.96 C ATOM 1095 CD PRO A 91 10.823 15.396 8.120 1.00 1.67 C ATOM 0 HA PRO A 91 11.017 18.417 9.279 1.00 1.57 H new ATOM 0 HB2 PRO A 91 13.200 17.059 7.767 1.00 1.91 H new ATOM 0 HB3 PRO A 91 13.109 17.339 9.494 1.00 1.91 H new ATOM 0 HG2 PRO A 91 12.873 14.860 8.454 1.00 1.96 H new ATOM 0 HG3 PRO A 91 12.011 15.330 9.905 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.969 15.109 7.079 1.00 1.67 H new ATOM 0 HD3 PRO A 91 10.194 14.631 8.576 1.00 1.67 H new ATOM 1103 N PRO A 92 11.316 20.001 7.429 1.00 1.56 N ATOM 1104 CA PRO A 92 11.423 20.993 6.349 1.00 1.67 C ATOM 1105 C PRO A 92 12.662 20.779 5.493 1.00 1.87 C ATOM 1106 O PRO A 92 13.793 20.832 5.982 1.00 2.74 O ATOM 1107 CB PRO A 92 11.503 22.324 7.095 1.00 1.98 C ATOM 1108 CG PRO A 92 10.798 22.061 8.375 1.00 2.05 C ATOM 1109 CD PRO A 92 11.141 20.644 8.740 1.00 1.77 C ATOM 0 HA PRO A 92 10.586 20.934 5.653 1.00 1.67 H new ATOM 0 HB2 PRO A 92 12.537 22.626 7.263 1.00 1.98 H new ATOM 0 HB3 PRO A 92 11.024 23.126 6.533 1.00 1.98 H new ATOM 0 HG2 PRO A 92 11.121 22.755 9.151 1.00 2.05 H new ATOM 0 HG3 PRO A 92 9.721 22.187 8.263 1.00 2.05 H new ATOM 0 HD2 PRO A 92 12.049 20.590 9.341 1.00 1.77 H new ATOM 0 HD3 PRO A 92 10.347 20.172 9.319 1.00 1.77 H new ATOM 1117 N GLY A 93 12.435 20.534 4.217 1.00 1.48 N ATOM 1118 CA GLY A 93 13.510 20.193 3.321 1.00 1.64 C ATOM 1119 C GLY A 93 13.253 18.858 2.669 1.00 1.50 C ATOM 1120 O GLY A 93 13.829 18.539 1.628 1.00 1.68 O ATOM 0 H GLY A 93 11.513 20.566 3.782 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.612 20.964 2.557 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.452 20.161 3.869 1.00 1.64 H new ATOM 1124 N CYS A 94 12.374 18.079 3.288 1.00 1.28 N ATOM 1125 CA CYS A 94 11.990 16.783 2.753 1.00 1.27 C ATOM 1126 C CYS A 94 10.839 16.935 1.766 1.00 1.14 C ATOM 1127 O CYS A 94 9.926 17.739 1.972 1.00 1.17 O ATOM 1128 CB CYS A 94 11.584 15.833 3.885 1.00 1.33 C ATOM 1129 SG CYS A 94 11.176 14.157 3.334 1.00 2.34 S ATOM 0 H CYS A 94 11.913 18.326 4.164 1.00 1.28 H new ATOM 0 HA CYS A 94 12.849 16.361 2.232 1.00 1.27 H new ATOM 0 HB2 CYS A 94 12.398 15.778 4.608 1.00 1.33 H new ATOM 0 HB3 CYS A 94 10.723 16.252 4.405 1.00 1.33 H new ATOM 0 HG CYS A 94 10.333 14.218 2.346 1.00 2.34 H new ATOM 1135 N THR A 95 10.904 16.172 0.687 1.00 1.27 N ATOM 1136 CA THR A 95 9.860 16.165 -0.321 1.00 1.33 C ATOM 1137 C THR A 95 8.766 15.163 0.045 1.00 0.96 C ATOM 1138 O THR A 95 9.026 14.163 0.717 1.00 0.86 O ATOM 1139 CB THR A 95 10.450 15.813 -1.700 1.00 1.73 C ATOM 1140 OG1 THR A 95 11.351 14.701 -1.581 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.182 17.008 -2.287 1.00 2.23 C ATOM 0 H THR A 95 11.681 15.542 0.487 1.00 1.27 H new ATOM 0 HA THR A 95 9.422 17.162 -0.365 1.00 1.33 H new ATOM 0 HB THR A 95 9.632 15.542 -2.367 1.00 1.73 H new ATOM 0 HG1 THR A 95 11.720 14.483 -2.462 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.592 16.741 -3.261 1.00 2.23 H new ATOM 0 HG22 THR A 95 10.487 17.840 -2.402 1.00 2.23 H new ATOM 0 HG23 THR A 95 11.993 17.302 -1.620 1.00 2.23 H new ATOM 1149 N PRO A 96 7.521 15.442 -0.361 1.00 0.93 N ATOM 1150 CA PRO A 96 6.393 14.548 -0.111 1.00 0.76 C ATOM 1151 C PRO A 96 6.367 13.380 -1.093 1.00 0.61 C ATOM 1152 O PRO A 96 6.771 13.524 -2.248 1.00 0.71 O ATOM 1153 CB PRO A 96 5.182 15.455 -0.327 1.00 1.07 C ATOM 1154 CG PRO A 96 5.636 16.468 -1.324 1.00 1.30 C ATOM 1155 CD PRO A 96 7.115 16.657 -1.097 1.00 1.27 C ATOM 0 HA PRO A 96 6.432 14.092 0.878 1.00 0.76 H new ATOM 0 HB2 PRO A 96 4.327 14.891 -0.698 1.00 1.07 H new ATOM 0 HB3 PRO A 96 4.872 15.928 0.604 1.00 1.07 H new ATOM 0 HG2 PRO A 96 5.440 16.127 -2.341 1.00 1.30 H new ATOM 0 HG3 PRO A 96 5.100 17.408 -1.194 1.00 1.30 H new ATOM 0 HD2 PRO A 96 7.655 16.752 -2.039 1.00 1.27 H new ATOM 0 HD3 PRO A 96 7.318 17.560 -0.521 1.00 1.27 H new ATOM 1163 N PRO A 97 5.899 12.207 -0.644 1.00 0.50 N ATOM 1164 CA PRO A 97 5.731 11.042 -1.513 1.00 0.46 C ATOM 1165 C PRO A 97 4.512 11.212 -2.407 1.00 0.45 C ATOM 1166 O PRO A 97 3.742 12.156 -2.230 1.00 0.68 O ATOM 1167 CB PRO A 97 5.526 9.902 -0.522 1.00 0.59 C ATOM 1168 CG PRO A 97 4.848 10.555 0.622 1.00 0.69 C ATOM 1169 CD PRO A 97 5.486 11.915 0.740 1.00 0.64 C ATOM 0 HA PRO A 97 6.573 10.878 -2.186 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.917 9.105 -0.948 1.00 0.59 H new ATOM 0 HB3 PRO A 97 6.474 9.454 -0.224 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.775 10.638 0.448 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.979 9.979 1.538 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.784 12.659 1.118 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.337 11.904 1.422 1.00 0.64 H new ATOM 1177 N ALA A 98 4.337 10.296 -3.349 1.00 0.44 N ATOM 1178 CA ALA A 98 3.282 10.391 -4.349 1.00 0.44 C ATOM 1179 C ALA A 98 1.912 10.644 -3.740 1.00 0.38 C ATOM 1180 O ALA A 98 1.359 9.784 -3.060 1.00 0.39 O ATOM 1181 CB ALA A 98 3.249 9.120 -5.181 1.00 0.54 C ATOM 0 H ALA A 98 4.922 9.466 -3.442 1.00 0.44 H new ATOM 0 HA ALA A 98 3.514 11.250 -4.979 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.459 9.195 -5.928 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.209 8.987 -5.680 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.056 8.266 -4.532 1.00 0.54 H new ATOM 1187 N LEU A 99 1.381 11.831 -3.990 1.00 0.45 N ATOM 1188 CA LEU A 99 0.022 12.160 -3.604 1.00 0.44 C ATOM 1189 C LEU A 99 -0.924 11.705 -4.708 1.00 0.44 C ATOM 1190 O LEU A 99 -0.800 12.131 -5.858 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.112 13.671 -3.369 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.427 14.140 -2.738 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.587 13.550 -1.347 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.479 15.661 -2.685 1.00 0.46 C ATOM 0 H LEU A 99 1.877 12.587 -4.463 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.232 11.651 -2.674 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.710 13.993 -2.729 1.00 0.52 H new ATOM 0 HB3 LEU A 99 0.010 14.179 -4.325 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.253 13.790 -3.357 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.526 13.893 -0.912 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.593 12.462 -1.412 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.757 13.872 -0.718 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.420 15.977 -2.234 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.647 16.033 -2.087 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.408 16.063 -3.696 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.859 10.841 -4.354 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.733 10.209 -5.325 1.00 0.39 C ATOM 1208 C LEU A 100 -3.817 9.406 -4.621 1.00 0.44 C ATOM 1209 O LEU A 100 -3.905 9.421 -3.398 1.00 0.66 O ATOM 1210 CB LEU A 100 -1.921 9.349 -6.309 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.759 8.540 -5.728 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.230 7.208 -5.181 1.00 0.79 C ATOM 1213 CD2 LEU A 100 0.305 8.331 -6.788 1.00 0.98 C ATOM 0 H LEU A 100 -2.033 10.559 -3.389 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.229 10.983 -5.910 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.605 8.656 -6.798 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.524 10.004 -7.084 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.333 9.105 -4.899 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.379 6.660 -4.776 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.962 7.377 -4.391 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.688 6.627 -5.982 1.00 0.79 H new ATOM 0 HD21 LEU A 100 1.129 7.755 -6.368 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.123 7.790 -7.632 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.675 9.298 -7.128 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.627 8.692 -5.385 1.00 0.41 N ATOM 1226 CA ASP A 101 -5.851 8.097 -4.858 1.00 0.44 C ATOM 1227 C ASP A 101 -5.704 6.580 -4.734 1.00 0.40 C ATOM 1228 O ASP A 101 -4.902 5.963 -5.444 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.016 8.458 -5.793 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.345 7.864 -5.375 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -8.634 6.710 -5.744 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -9.090 8.537 -4.638 1.00 1.92 O ATOM 0 H ASP A 101 -4.461 8.508 -6.375 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.049 8.489 -3.861 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.112 9.543 -5.836 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -6.778 8.119 -6.801 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.496 5.994 -3.822 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.503 4.547 -3.538 1.00 0.42 C ATOM 1239 C ILE A 102 -6.724 3.706 -4.806 1.00 0.46 C ATOM 1240 O ILE A 102 -6.489 2.496 -4.816 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.602 4.216 -2.485 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.664 2.720 -2.186 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -8.963 4.711 -2.952 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.424 2.191 -1.518 1.00 0.44 C ATOM 0 H ILE A 102 -7.160 6.518 -3.252 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.521 4.289 -3.141 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.333 4.733 -1.564 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.525 2.520 -1.548 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.825 2.177 -3.118 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.715 4.469 -2.201 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -8.928 5.791 -3.096 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.222 4.228 -3.894 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.537 1.122 -1.335 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.563 2.359 -2.164 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.273 2.707 -0.570 1.00 0.44 H new ATOM 1256 N SER A 103 -7.139 4.362 -5.874 1.00 0.42 N ATOM 1257 CA SER A 103 -7.409 3.686 -7.140 1.00 0.51 C ATOM 1258 C SER A 103 -6.130 3.123 -7.769 1.00 0.48 C ATOM 1259 O SER A 103 -6.190 2.230 -8.616 1.00 0.58 O ATOM 1260 CB SER A 103 -8.116 4.639 -8.104 1.00 0.66 C ATOM 1261 OG SER A 103 -7.588 5.948 -7.996 1.00 1.46 O ATOM 0 H SER A 103 -7.299 5.369 -5.894 1.00 0.42 H new ATOM 0 HA SER A 103 -8.065 2.840 -6.935 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.002 4.279 -9.127 1.00 0.66 H new ATOM 0 HB3 SER A 103 -9.184 4.654 -7.889 1.00 0.66 H new ATOM 0 HG SER A 103 -8.171 6.490 -7.424 1.00 1.46 H new ATOM 1267 N TRP A 104 -4.973 3.644 -7.356 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.694 3.073 -7.775 1.00 0.36 C ATOM 1269 C TRP A 104 -3.497 1.705 -7.132 1.00 0.34 C ATOM 1270 O TRP A 104 -2.944 0.786 -7.738 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.518 3.997 -7.392 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.195 3.276 -7.306 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.320 3.022 -8.328 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.609 2.696 -6.127 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.767 2.317 -7.855 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.610 2.108 -6.511 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -0.999 2.618 -4.784 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.437 1.446 -5.605 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.177 1.963 -3.887 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.029 1.385 -4.300 1.00 0.32 C ATOM 0 H TRP A 104 -4.896 4.452 -6.738 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.712 2.969 -8.860 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.440 4.798 -8.127 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.731 4.466 -6.431 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.460 3.329 -9.354 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.559 2.002 -8.415 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.927 3.062 -4.455 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.367 0.997 -5.922 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.470 1.896 -2.850 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.650 0.881 -3.574 1.00 0.32 H new ATOM 1291 N LEU A 105 -4.002 1.570 -5.916 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.676 0.419 -5.096 1.00 0.32 C ATOM 1293 C LEU A 105 -4.533 -0.768 -5.476 1.00 0.31 C ATOM 1294 O LEU A 105 -4.056 -1.890 -5.525 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.839 0.733 -3.609 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.409 -0.396 -2.668 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.982 -0.829 -2.963 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.532 0.044 -1.221 1.00 0.35 C ATOM 0 H LEU A 105 -4.635 2.240 -5.479 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.631 0.170 -5.278 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.259 1.625 -3.374 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.884 0.972 -3.414 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.070 -1.247 -2.834 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.697 -1.632 -2.283 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.915 -1.184 -3.991 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.309 0.018 -2.827 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.223 -0.770 -0.566 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.894 0.911 -1.049 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.568 0.308 -1.008 1.00 0.35 H new ATOM 1310 N THR A 106 -5.789 -0.516 -5.775 1.00 0.35 N ATOM 1311 CA THR A 106 -6.708 -1.585 -6.105 1.00 0.37 C ATOM 1312 C THR A 106 -6.256 -2.345 -7.356 1.00 0.36 C ATOM 1313 O THR A 106 -6.177 -3.576 -7.341 1.00 0.47 O ATOM 1314 CB THR A 106 -8.128 -1.023 -6.276 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.058 0.278 -6.876 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.821 -0.923 -4.925 1.00 0.59 C ATOM 0 H THR A 106 -6.197 0.418 -5.797 1.00 0.35 H new ATOM 0 HA THR A 106 -6.715 -2.300 -5.282 1.00 0.37 H new ATOM 0 HB THR A 106 -8.700 -1.694 -6.918 1.00 0.47 H new ATOM 0 HG1 THR A 106 -8.963 0.636 -6.987 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.826 -0.523 -5.060 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.882 -1.913 -4.473 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.252 -0.261 -4.272 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.969 -1.621 -8.434 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.409 -2.229 -9.642 1.00 0.39 C ATOM 1326 C GLU A 107 -4.090 -2.964 -9.372 1.00 0.33 C ATOM 1327 O GLU A 107 -3.960 -4.142 -9.701 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.202 -1.167 -10.721 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.497 -0.534 -11.200 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.294 0.405 -12.370 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.043 -0.085 -13.490 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.389 1.639 -12.180 1.00 1.51 O ATOM 0 H GLU A 107 -6.114 -0.613 -8.498 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.129 -2.970 -9.989 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.547 -0.387 -10.332 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.690 -1.618 -11.571 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.195 -1.320 -11.488 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -6.955 0.013 -10.376 1.00 0.53 H new ATOM 1339 N SER A 108 -3.105 -2.250 -8.826 1.00 0.35 N ATOM 1340 CA SER A 108 -1.820 -2.867 -8.470 1.00 0.36 C ATOM 1341 C SER A 108 -2.013 -4.157 -7.661 1.00 0.38 C ATOM 1342 O SER A 108 -1.286 -5.133 -7.863 1.00 0.46 O ATOM 1343 CB SER A 108 -0.916 -1.881 -7.720 1.00 0.45 C ATOM 1344 OG SER A 108 -1.599 -1.254 -6.655 1.00 0.88 O ATOM 0 H SER A 108 -3.168 -1.253 -8.621 1.00 0.35 H new ATOM 0 HA SER A 108 -1.325 -3.135 -9.403 1.00 0.36 H new ATOM 0 HB2 SER A 108 -0.044 -2.408 -7.333 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.549 -1.124 -8.413 1.00 0.45 H new ATOM 0 HG SER A 108 -2.221 -0.586 -7.013 1.00 0.88 H new ATOM 1350 N LEU A 109 -2.990 -4.164 -6.758 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.339 -5.375 -6.021 1.00 0.43 C ATOM 1352 C LEU A 109 -3.799 -6.485 -6.956 1.00 0.52 C ATOM 1353 O LEU A 109 -3.351 -7.624 -6.848 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.426 -5.096 -4.988 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.014 -4.157 -3.861 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -4.975 -4.283 -2.704 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.596 -4.450 -3.416 1.00 0.86 C ATOM 0 H LEU A 109 -3.553 -3.347 -6.520 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.436 -5.705 -5.507 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.291 -4.671 -5.498 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.746 -6.043 -4.554 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.047 -3.132 -4.229 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.672 -3.608 -1.904 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -5.980 -4.024 -3.036 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -4.968 -5.309 -2.335 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.319 -3.770 -2.611 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.531 -5.478 -3.060 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -1.915 -4.313 -4.256 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.694 -6.143 -7.872 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.209 -7.119 -8.812 1.00 0.62 C ATOM 1371 C GLY A 110 -4.114 -7.730 -9.660 1.00 0.67 C ATOM 1372 O GLY A 110 -4.031 -8.953 -9.795 1.00 0.96 O ATOM 0 H GLY A 110 -5.074 -5.203 -7.981 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -5.727 -7.908 -8.267 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -5.945 -6.643 -9.460 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.277 -6.874 -10.233 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.154 -7.319 -11.049 1.00 0.53 C ATOM 1378 C ALA A 111 -1.127 -8.103 -10.232 1.00 0.59 C ATOM 1379 O ALA A 111 -0.488 -9.027 -10.733 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.489 -6.129 -11.726 1.00 0.48 C ATOM 0 H ALA A 111 -3.356 -5.861 -10.147 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.550 -7.992 -11.810 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -0.652 -6.476 -12.332 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.213 -5.622 -12.364 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.125 -5.436 -10.968 1.00 0.48 H new ATOM 1386 N GLY A 112 -0.980 -7.729 -8.967 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.032 -8.399 -8.093 1.00 0.60 C ATOM 1388 C GLY A 112 1.361 -7.814 -8.210 1.00 0.58 C ATOM 1389 O GLY A 112 2.351 -8.468 -7.870 1.00 0.66 O ATOM 0 H GLY A 112 -1.502 -6.971 -8.528 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.373 -8.320 -7.061 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.001 -9.461 -8.338 1.00 0.60 H new ATOM 1393 N GLN A 113 1.431 -6.582 -8.694 1.00 0.52 N ATOM 1394 CA GLN A 113 2.695 -5.888 -8.894 1.00 0.54 C ATOM 1395 C GLN A 113 2.445 -4.383 -8.951 1.00 0.50 C ATOM 1396 O GLN A 113 1.363 -3.948 -9.357 1.00 0.48 O ATOM 1397 CB GLN A 113 3.381 -6.371 -10.183 1.00 0.60 C ATOM 1398 CG GLN A 113 2.553 -6.172 -11.443 1.00 0.61 C ATOM 1399 CD GLN A 113 3.263 -6.665 -12.686 1.00 0.81 C ATOM 1400 OE1 GLN A 113 3.134 -7.826 -13.070 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.023 -5.788 -13.319 1.00 0.87 N ATOM 0 H GLN A 113 0.612 -6.035 -8.959 1.00 0.52 H new ATOM 0 HA GLN A 113 3.359 -6.109 -8.058 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.328 -5.843 -10.297 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.617 -7.430 -10.081 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.604 -6.698 -11.337 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.320 -5.113 -11.557 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.103 -4.834 -12.967 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.530 -6.065 -14.160 1.00 0.87 H new ATOM 1410 N PRO A 114 3.423 -3.570 -8.519 1.00 0.53 N ATOM 1411 CA PRO A 114 3.283 -2.113 -8.487 1.00 0.52 C ATOM 1412 C PRO A 114 3.186 -1.509 -9.884 1.00 0.54 C ATOM 1413 O PRO A 114 4.199 -1.261 -10.543 1.00 0.62 O ATOM 1414 CB PRO A 114 4.554 -1.634 -7.779 1.00 0.57 C ATOM 1415 CG PRO A 114 5.538 -2.739 -7.947 1.00 0.68 C ATOM 1416 CD PRO A 114 4.740 -4.010 -8.024 1.00 0.60 C ATOM 0 HA PRO A 114 2.367 -1.808 -7.981 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.924 -0.708 -8.219 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.365 -1.433 -6.725 1.00 0.57 H new ATOM 0 HG2 PRO A 114 6.131 -2.597 -8.851 1.00 0.68 H new ATOM 0 HG3 PRO A 114 6.235 -2.768 -7.110 1.00 0.68 H new ATOM 0 HD2 PRO A 114 5.201 -4.731 -8.699 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.660 -4.492 -7.050 1.00 0.60 H new ATOM 1424 N VAL A 115 1.958 -1.295 -10.333 1.00 0.51 N ATOM 1425 CA VAL A 115 1.711 -0.688 -11.631 1.00 0.53 C ATOM 1426 C VAL A 115 2.126 0.777 -11.629 1.00 0.49 C ATOM 1427 O VAL A 115 2.038 1.458 -10.603 1.00 0.45 O ATOM 1428 CB VAL A 115 0.225 -0.789 -12.037 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.188 -2.244 -12.180 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.672 -0.067 -11.040 1.00 0.47 C ATOM 0 H VAL A 115 1.113 -1.535 -9.814 1.00 0.51 H new ATOM 0 HA VAL A 115 2.309 -1.239 -12.357 1.00 0.53 H new ATOM 0 HB VAL A 115 0.106 -0.298 -13.003 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.238 -2.298 -12.467 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.422 -2.722 -12.947 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.045 -2.758 -11.230 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.712 -0.157 -11.355 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.552 -0.513 -10.053 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.395 0.986 -10.998 1.00 0.47 H new ATOM 1440 N PRO A 116 2.610 1.264 -12.774 1.00 0.56 N ATOM 1441 CA PRO A 116 2.958 2.672 -12.946 1.00 0.58 C ATOM 1442 C PRO A 116 1.724 3.551 -12.804 1.00 0.48 C ATOM 1443 O PRO A 116 0.727 3.340 -13.497 1.00 0.55 O ATOM 1444 CB PRO A 116 3.517 2.743 -14.375 1.00 0.72 C ATOM 1445 CG PRO A 116 3.841 1.332 -14.738 1.00 0.85 C ATOM 1446 CD PRO A 116 2.855 0.481 -13.994 1.00 0.69 C ATOM 0 HA PRO A 116 3.669 3.025 -12.199 1.00 0.58 H new ATOM 0 HB2 PRO A 116 2.787 3.169 -15.063 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.404 3.375 -14.420 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.758 1.176 -15.814 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.864 1.081 -14.457 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.940 0.326 -14.566 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.260 -0.505 -13.768 1.00 0.69 H new ATOM 1454 N VAL A 117 1.788 4.513 -11.893 1.00 0.46 N ATOM 1455 CA VAL A 117 0.642 5.366 -11.599 1.00 0.44 C ATOM 1456 C VAL A 117 0.220 6.194 -12.809 1.00 0.49 C ATOM 1457 O VAL A 117 0.931 7.101 -13.253 1.00 0.61 O ATOM 1458 CB VAL A 117 0.913 6.288 -10.385 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.206 7.076 -10.556 1.00 0.99 C ATOM 1460 CG2 VAL A 117 -0.266 7.223 -10.160 1.00 1.25 C ATOM 0 H VAL A 117 2.622 4.723 -11.344 1.00 0.46 H new ATOM 0 HA VAL A 117 -0.182 4.699 -11.345 1.00 0.44 H new ATOM 0 HB VAL A 117 1.032 5.657 -9.504 1.00 0.58 H new ATOM 0 HG11 VAL A 117 2.363 7.712 -9.685 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.043 6.385 -10.656 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.139 7.696 -11.450 1.00 0.99 H new ATOM 0 HG21 VAL A 117 -0.062 7.866 -9.304 1.00 1.25 H new ATOM 0 HG22 VAL A 117 -0.417 7.838 -11.047 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -1.164 6.636 -9.968 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.932 5.849 -13.353 1.00 0.57 N ATOM 1471 CA GLU A 118 -1.539 6.612 -14.416 1.00 0.70 C ATOM 1472 C GLU A 118 -1.975 7.969 -13.872 1.00 0.71 C ATOM 1473 O GLU A 118 -2.427 8.077 -12.729 1.00 0.66 O ATOM 1474 CB GLU A 118 -2.740 5.838 -14.961 1.00 0.84 C ATOM 1475 CG GLU A 118 -2.920 5.964 -16.460 1.00 1.34 C ATOM 1476 CD GLU A 118 -3.172 7.391 -16.898 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -4.215 7.954 -16.511 1.00 2.63 O ATOM 1478 OE2 GLU A 118 -2.320 7.961 -17.610 1.00 2.31 O ATOM 0 H GLU A 118 -1.470 5.031 -13.067 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.826 6.772 -15.225 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.628 4.784 -14.705 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -3.644 6.192 -14.465 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -2.030 5.586 -16.962 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -3.755 5.338 -16.776 1.00 1.34 H new ATOM 1485 N CYS A 119 -1.841 8.995 -14.706 1.00 0.84 N ATOM 1486 CA CYS A 119 -2.071 10.375 -14.299 1.00 0.88 C ATOM 1487 C CYS A 119 -3.504 10.602 -13.819 1.00 0.79 C ATOM 1488 O CYS A 119 -3.768 11.547 -13.076 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.745 11.317 -15.457 1.00 1.11 C ATOM 1490 SG CYS A 119 -0.060 11.142 -16.087 1.00 2.07 S ATOM 0 H CYS A 119 -1.570 8.892 -15.684 1.00 0.84 H new ATOM 0 HA CYS A 119 -1.412 10.587 -13.457 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -2.448 11.135 -16.270 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -1.896 12.346 -15.130 1.00 1.11 H new ATOM 0 HG CYS A 119 0.126 11.976 -17.066 1.00 2.07 H new ATOM 1496 N ARG A 120 -4.428 9.738 -14.237 1.00 0.82 N ATOM 1497 CA ARG A 120 -5.810 9.805 -13.757 1.00 0.82 C ATOM 1498 C ARG A 120 -5.879 9.587 -12.249 1.00 0.68 C ATOM 1499 O ARG A 120 -6.755 10.126 -11.574 1.00 0.77 O ATOM 1500 CB ARG A 120 -6.685 8.764 -14.457 1.00 0.98 C ATOM 1501 CG ARG A 120 -7.521 9.304 -15.614 1.00 1.58 C ATOM 1502 CD ARG A 120 -6.669 9.777 -16.781 1.00 2.22 C ATOM 1503 NE ARG A 120 -6.040 11.073 -16.531 1.00 2.86 N ATOM 1504 CZ ARG A 120 -4.933 11.492 -17.140 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -4.286 10.679 -17.967 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -4.454 12.706 -16.890 1.00 4.59 N ATOM 0 H ARG A 120 -4.248 8.987 -14.903 1.00 0.82 H new ATOM 0 HA ARG A 120 -6.184 10.802 -13.990 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -6.045 7.965 -14.832 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -7.354 8.318 -13.721 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -8.203 8.526 -15.959 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -8.135 10.132 -15.258 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -5.896 9.036 -16.985 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -7.289 9.845 -17.675 1.00 2.22 H new ATOM 0 HE ARG A 120 -6.476 11.694 -15.849 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -4.638 9.736 -18.134 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -3.437 10.997 -18.435 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -4.935 13.318 -16.231 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -3.606 13.026 -17.357 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.948 8.803 -11.721 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.928 8.509 -10.295 1.00 0.56 C ATOM 1522 C HIS A 121 -4.004 9.479 -9.566 1.00 0.50 C ATOM 1523 O HIS A 121 -3.907 9.451 -8.350 1.00 0.63 O ATOM 1524 CB HIS A 121 -4.465 7.068 -10.039 1.00 0.66 C ATOM 1525 CG HIS A 121 -5.305 6.014 -10.705 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -6.660 6.144 -10.908 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.967 4.802 -11.208 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -7.121 5.061 -11.508 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -6.113 4.230 -11.702 1.00 1.22 N ATOM 0 H HIS A 121 -4.200 8.361 -12.256 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.943 8.624 -9.915 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -3.436 6.964 -10.382 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.462 6.887 -8.964 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -3.979 4.367 -11.218 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -8.148 4.885 -11.792 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -6.176 3.314 -12.146 1.00 1.22 H new ATOM 1538 N ARG A 122 -3.363 10.354 -10.333 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.314 11.244 -9.831 1.00 0.50 C ATOM 1540 C ARG A 122 -2.891 12.628 -9.500 1.00 0.62 C ATOM 1541 O ARG A 122 -2.188 13.638 -9.565 1.00 1.05 O ATOM 1542 CB ARG A 122 -1.226 11.365 -10.908 1.00 0.64 C ATOM 1543 CG ARG A 122 0.132 11.844 -10.414 1.00 0.75 C ATOM 1544 CD ARG A 122 0.855 10.765 -9.625 1.00 0.95 C ATOM 1545 NE ARG A 122 2.254 10.640 -10.033 1.00 1.67 N ATOM 1546 CZ ARG A 122 3.299 10.914 -9.249 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.117 11.425 -8.038 1.00 2.38 N ATOM 1548 NH2 ARG A 122 4.528 10.710 -9.696 1.00 3.30 N ATOM 0 H ARG A 122 -3.556 10.469 -11.328 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.890 10.832 -8.915 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -1.098 10.392 -11.382 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -1.576 12.052 -11.679 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.744 12.144 -11.265 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.001 12.727 -9.788 1.00 0.75 H new ATOM 0 HD2 ARG A 122 0.806 10.998 -8.561 1.00 0.95 H new ATOM 0 HD3 ARG A 122 0.348 9.810 -9.766 1.00 0.95 H new ATOM 0 HE ARG A 122 2.444 10.321 -10.983 1.00 1.67 H new ATOM 0 HH11 ARG A 122 2.173 11.611 -7.700 1.00 2.38 H new ATOM 0 HH12 ARG A 122 3.921 11.631 -7.445 1.00 2.38 H new ATOM 0 HH21 ARG A 122 4.674 10.345 -10.637 1.00 3.30 H new ATOM 0 HH22 ARG A 122 5.329 10.918 -9.100 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.178 12.663 -9.166 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.925 13.917 -9.067 1.00 0.82 C ATOM 1564 C LEU A 123 -4.549 14.765 -7.839 1.00 0.73 C ATOM 1565 O LEU A 123 -5.233 14.766 -6.819 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.449 13.659 -9.102 1.00 1.23 C ATOM 1567 CG LEU A 123 -7.097 13.051 -7.846 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.613 13.095 -7.961 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.632 11.625 -7.607 1.00 1.47 C ATOM 0 H LEU A 123 -4.730 11.831 -8.958 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.640 14.502 -9.942 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.946 14.607 -9.311 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.659 12.997 -9.942 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.783 13.650 -6.991 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -9.059 12.662 -7.066 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.940 14.130 -8.065 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.928 12.525 -8.835 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -7.112 11.231 -6.711 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.900 11.007 -8.464 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.550 11.612 -7.474 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.441 15.477 -7.944 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.150 16.572 -7.029 1.00 0.63 C ATOM 1583 C GLU A 124 -3.084 17.884 -7.808 1.00 0.79 C ATOM 1584 O GLU A 124 -1.972 18.337 -8.144 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.848 16.342 -6.251 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.711 15.797 -7.098 1.00 1.70 C ATOM 1587 CD GLU A 124 0.657 16.270 -6.643 1.00 2.39 C ATOM 1588 OE1 GLU A 124 1.009 16.080 -5.459 1.00 2.69 O ATOM 1589 OE2 GLU A 124 1.399 16.819 -7.481 1.00 3.01 O ATOM 1590 OXT GLU A 124 -4.157 18.437 -8.122 1.00 1.11 O ATOM 0 H GLU A 124 -2.726 15.318 -8.654 1.00 0.59 H new ATOM 0 HA GLU A 124 -3.955 16.622 -6.295 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.534 17.284 -5.802 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.043 15.648 -5.433 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.738 14.708 -7.072 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.864 16.095 -8.135 1.00 1.70 H new