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 -68:sc= 1.02 USER MOD Set 1.2: A 121 HIS : no HD1:sc= -1.84! C(o=-0.82!,f=-2!) USER MOD Set 2.1: A 71 MET CE :methyl -139:sc= -5.84! (180deg=-6.74!) USER MOD Set 2.2: A 74 THR OG1 : rot 62:sc= 0.532 USER MOD Single : A 25 THR OG1 : rot -30:sc= 0.59 USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00315 USER MOD Single : A 39 MET CE :methyl 138:sc= -0.142 (180deg=-2.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 48:sc= 1.23 USER MOD Single : A 53 SER OG : rot 87:sc= 0.833 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 43:sc= 0.202 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 67 THR OG1 : rot -52:sc= 0.646 USER MOD Single : A 68 HIS : no HD1:sc= -0.912 X(o=-0.91,f=-0.95) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 71:sc= 0.00516 USER MOD Single : A 83 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.4!) USER MOD Single : A 87 MET CE :methyl -163:sc= -0.0988 (180deg=-0.762) USER MOD Single : A 94 CYS SG : rot -160:sc= -0.72 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 108 SER OG : rot 90:sc=-0.00453 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0.00455 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.511 -6.163 7.178 1.00 1.09 N ATOM 64 CA THR A 25 4.090 -5.363 6.041 1.00 0.85 C ATOM 65 C THR A 25 4.274 -6.176 4.764 1.00 1.01 C ATOM 66 O THR A 25 3.682 -5.882 3.728 1.00 1.99 O ATOM 67 CB THR A 25 4.894 -4.059 5.951 1.00 0.70 C ATOM 68 OG1 THR A 25 6.283 -4.340 5.712 1.00 0.83 O ATOM 69 CG2 THR A 25 4.761 -3.259 7.227 1.00 0.96 C ATOM 0 HA THR A 25 3.040 -5.100 6.168 1.00 0.85 H new ATOM 0 HB THR A 25 4.494 -3.477 5.121 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.515 -5.205 6.110 1.00 0.83 H new ATOM 0 HG21 THR A 25 5.339 -2.339 7.141 1.00 0.96 H new ATOM 0 HG22 THR A 25 3.712 -3.015 7.396 1.00 0.96 H new ATOM 0 HG23 THR A 25 5.136 -3.846 8.065 1.00 0.96 H new ATOM 77 N ARG A 26 5.156 -7.172 4.876 1.00 0.78 N ATOM 78 CA ARG A 26 5.322 -8.251 3.907 1.00 0.81 C ATOM 79 C ARG A 26 6.337 -7.904 2.813 1.00 0.79 C ATOM 80 O ARG A 26 7.192 -8.725 2.481 1.00 0.95 O ATOM 81 CB ARG A 26 3.972 -8.676 3.306 1.00 1.04 C ATOM 82 CG ARG A 26 3.887 -10.154 2.944 1.00 1.15 C ATOM 83 CD ARG A 26 4.724 -10.499 1.725 1.00 1.19 C ATOM 84 NE ARG A 26 4.692 -11.929 1.425 1.00 1.65 N ATOM 85 CZ ARG A 26 5.365 -12.491 0.424 1.00 1.90 C ATOM 86 NH1 ARG A 26 6.124 -11.741 -0.364 1.00 2.06 N ATOM 87 NH2 ARG A 26 5.283 -13.799 0.219 1.00 2.51 N ATOM 0 H ARG A 26 5.793 -7.250 5.669 1.00 0.78 H new ATOM 0 HA ARG A 26 5.729 -9.103 4.452 1.00 0.81 H new ATOM 0 HB2 ARG A 26 3.180 -8.442 4.018 1.00 1.04 H new ATOM 0 HB3 ARG A 26 3.782 -8.083 2.411 1.00 1.04 H new ATOM 0 HG2 ARG A 26 4.220 -10.753 3.792 1.00 1.15 H new ATOM 0 HG3 ARG A 26 2.847 -10.420 2.755 1.00 1.15 H new ATOM 0 HD2 ARG A 26 4.358 -9.940 0.864 1.00 1.19 H new ATOM 0 HD3 ARG A 26 5.755 -10.187 1.893 1.00 1.19 H new ATOM 0 HE ARG A 26 4.121 -12.531 2.017 1.00 1.65 H new ATOM 0 HH11 ARG A 26 6.191 -10.736 -0.202 1.00 2.06 H new ATOM 0 HH12 ARG A 26 6.641 -12.169 -1.132 1.00 2.06 H new ATOM 0 HH21 ARG A 26 4.703 -14.375 0.829 1.00 2.51 H new ATOM 0 HH22 ARG A 26 5.799 -14.228 -0.549 1.00 2.51 H new ATOM 101 N PHE A 27 6.266 -6.706 2.256 1.00 0.72 N ATOM 102 CA PHE A 27 7.178 -6.345 1.170 1.00 0.77 C ATOM 103 C PHE A 27 7.663 -4.903 1.281 1.00 0.71 C ATOM 104 O PHE A 27 6.911 -3.967 1.029 1.00 0.72 O ATOM 105 CB PHE A 27 6.514 -6.557 -0.193 1.00 0.88 C ATOM 106 CG PHE A 27 7.435 -6.304 -1.358 1.00 0.78 C ATOM 107 CD1 PHE A 27 8.357 -7.261 -1.765 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.372 -5.108 -2.055 1.00 0.96 C ATOM 109 CE1 PHE A 27 9.194 -7.025 -2.838 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.209 -4.868 -3.127 1.00 1.35 C ATOM 111 CZ PHE A 27 9.153 -5.842 -3.497 1.00 1.51 C ATOM 0 H PHE A 27 5.604 -5.978 2.526 1.00 0.72 H new ATOM 0 HA PHE A 27 8.044 -7.001 1.258 1.00 0.77 H new ATOM 0 HB2 PHE A 27 6.141 -7.579 -0.251 1.00 0.88 H new ATOM 0 HB3 PHE A 27 5.650 -5.897 -0.274 1.00 0.88 H new ATOM 0 HD1 PHE A 27 8.420 -8.200 -1.236 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.659 -4.354 -1.756 1.00 0.96 H new ATOM 0 HE1 PHE A 27 9.887 -7.790 -3.154 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.139 -3.941 -3.676 1.00 1.35 H new ATOM 0 HZ PHE A 27 9.844 -5.648 -4.304 1.00 1.51 H new ATOM 121 N PRO A 28 8.937 -4.710 1.654 1.00 0.72 N ATOM 122 CA PRO A 28 9.558 -3.388 1.680 1.00 0.81 C ATOM 123 C PRO A 28 10.053 -2.969 0.292 1.00 1.01 C ATOM 124 O PRO A 28 10.361 -3.818 -0.547 1.00 2.02 O ATOM 125 CB PRO A 28 10.723 -3.589 2.646 1.00 0.91 C ATOM 126 CG PRO A 28 11.132 -5.009 2.447 1.00 1.03 C ATOM 127 CD PRO A 28 9.874 -5.766 2.090 1.00 0.76 C ATOM 0 HA PRO A 28 8.872 -2.596 1.982 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.543 -2.905 2.427 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.421 -3.404 3.677 1.00 0.91 H new ATOM 0 HG2 PRO A 28 11.874 -5.092 1.653 1.00 1.03 H new ATOM 0 HG3 PRO A 28 11.586 -5.413 3.352 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.056 -6.492 1.297 1.00 0.76 H new ATOM 0 HD3 PRO A 28 9.484 -6.319 2.945 1.00 0.76 H new ATOM 135 N GLY A 29 10.119 -1.667 0.053 1.00 0.67 N ATOM 136 CA GLY A 29 10.488 -1.156 -1.258 1.00 0.68 C ATOM 137 C GLY A 29 9.378 -0.303 -1.827 1.00 0.65 C ATOM 138 O GLY A 29 9.614 0.724 -2.470 1.00 0.86 O ATOM 0 H GLY A 29 9.922 -0.947 0.748 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.403 -0.568 -1.181 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.698 -1.986 -1.932 1.00 0.68 H new ATOM 142 N VAL A 30 8.162 -0.737 -1.550 1.00 0.69 N ATOM 143 CA VAL A 30 6.969 0.031 -1.853 1.00 0.68 C ATOM 144 C VAL A 30 6.156 0.156 -0.578 1.00 0.70 C ATOM 145 O VAL A 30 5.542 -0.807 -0.127 1.00 0.75 O ATOM 146 CB VAL A 30 6.096 -0.597 -2.967 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.805 0.189 -3.145 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.845 -0.647 -4.288 1.00 1.15 C ATOM 0 H VAL A 30 7.974 -1.636 -1.107 1.00 0.69 H new ATOM 0 HA VAL A 30 7.285 1.004 -2.229 1.00 0.68 H new ATOM 0 HB VAL A 30 5.857 -1.616 -2.661 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.206 -0.269 -3.932 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.243 0.182 -2.211 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.040 1.217 -3.419 1.00 1.01 H new ATOM 0 HG21 VAL A 30 6.207 -1.093 -5.051 1.00 1.15 H new ATOM 0 HG22 VAL A 30 7.119 0.364 -4.589 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.747 -1.248 -4.172 1.00 1.15 H new ATOM 158 N ALA A 31 6.159 1.342 -0.003 1.00 0.71 N ATOM 159 CA ALA A 31 5.512 1.555 1.273 1.00 0.73 C ATOM 160 C ALA A 31 4.265 2.395 1.094 1.00 0.65 C ATOM 161 O ALA A 31 4.336 3.552 0.674 1.00 0.76 O ATOM 162 CB ALA A 31 6.471 2.206 2.256 1.00 0.84 C ATOM 0 H ALA A 31 6.602 2.171 -0.399 1.00 0.71 H new ATOM 0 HA ALA A 31 5.217 0.588 1.682 1.00 0.73 H new ATOM 0 HB1 ALA A 31 5.966 2.358 3.210 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.336 1.560 2.402 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.799 3.168 1.862 1.00 0.84 H new ATOM 168 N ILE A 32 3.128 1.793 1.370 1.00 0.57 N ATOM 169 CA ILE A 32 1.852 2.464 1.223 1.00 0.48 C ATOM 170 C ILE A 32 1.342 2.955 2.551 1.00 0.44 C ATOM 171 O ILE A 32 1.182 2.179 3.483 1.00 0.54 O ATOM 172 CB ILE A 32 0.761 1.536 0.661 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.072 1.064 -0.758 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.572 2.227 0.687 1.00 0.49 C ATOM 175 CD1 ILE A 32 2.153 0.022 -0.844 1.00 0.67 C ATOM 0 H ILE A 32 3.061 0.830 1.701 1.00 0.57 H new ATOM 0 HA ILE A 32 2.038 3.288 0.534 1.00 0.48 H new ATOM 0 HB ILE A 32 0.732 0.654 1.300 1.00 0.49 H new ATOM 0 HG12 ILE A 32 0.161 0.662 -1.202 1.00 0.59 H new ATOM 0 HG13 ILE A 32 1.366 1.925 -1.358 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -1.335 1.560 0.287 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.824 2.493 1.714 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.525 3.131 0.079 1.00 0.49 H new ATOM 0 HD11 ILE A 32 2.309 -0.255 -1.887 1.00 0.67 H new ATOM 0 HD12 ILE A 32 3.079 0.424 -0.433 1.00 0.67 H new ATOM 0 HD13 ILE A 32 1.856 -0.859 -0.275 1.00 0.67 H new ATOM 187 N TYR A 33 1.089 4.234 2.635 1.00 0.38 N ATOM 188 CA TYR A 33 0.296 4.738 3.720 1.00 0.38 C ATOM 189 C TYR A 33 -1.071 5.118 3.192 1.00 0.34 C ATOM 190 O TYR A 33 -1.211 5.640 2.087 1.00 0.41 O ATOM 191 CB TYR A 33 0.958 5.934 4.409 1.00 0.54 C ATOM 192 CG TYR A 33 0.201 6.409 5.632 1.00 0.58 C ATOM 193 CD1 TYR A 33 0.046 5.581 6.738 1.00 1.01 C ATOM 194 CD2 TYR A 33 -0.377 7.671 5.673 1.00 0.56 C ATOM 195 CE1 TYR A 33 -0.656 6.001 7.852 1.00 1.18 C ATOM 196 CE2 TYR A 33 -1.082 8.094 6.784 1.00 0.64 C ATOM 197 CZ TYR A 33 -1.219 7.258 7.869 1.00 0.90 C ATOM 198 OH TYR A 33 -1.923 7.681 8.973 1.00 1.11 O ATOM 0 H TYR A 33 1.417 4.937 1.973 1.00 0.38 H new ATOM 0 HA TYR A 33 0.202 3.955 4.472 1.00 0.38 H new ATOM 0 HB2 TYR A 33 1.973 5.662 4.700 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.040 6.756 3.698 1.00 0.54 H new ATOM 0 HD1 TYR A 33 0.482 4.593 6.726 1.00 1.01 H new ATOM 0 HD2 TYR A 33 -0.274 8.331 4.825 1.00 0.56 H new ATOM 0 HE1 TYR A 33 -0.763 5.347 8.705 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -1.525 9.079 6.801 1.00 0.64 H new ATOM 0 HH TYR A 33 -2.253 8.591 8.822 1.00 1.11 H new ATOM 208 N LEU A 34 -2.064 4.865 4.002 1.00 0.33 N ATOM 209 CA LEU A 34 -3.436 5.180 3.658 1.00 0.36 C ATOM 210 C LEU A 34 -4.025 5.971 4.802 1.00 0.31 C ATOM 211 O LEU A 34 -3.606 5.806 5.950 1.00 0.35 O ATOM 212 CB LEU A 34 -4.266 3.921 3.421 1.00 0.45 C ATOM 213 CG LEU A 34 -3.666 2.932 2.422 1.00 0.64 C ATOM 214 CD1 LEU A 34 -3.176 1.682 3.141 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.682 2.579 1.350 1.00 1.06 C ATOM 0 H LEU A 34 -1.951 4.435 4.920 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.450 5.753 2.731 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -4.407 3.412 4.374 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -5.254 4.216 3.069 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.810 3.402 1.937 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.752 0.988 2.416 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -2.413 1.957 3.870 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -4.012 1.206 3.653 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -4.239 1.874 0.647 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -5.558 2.126 1.814 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -4.979 3.483 0.819 1.00 1.06 H new ATOM 227 N VAL A 35 -4.971 6.834 4.503 1.00 0.31 N ATOM 228 CA VAL A 35 -5.549 7.683 5.524 1.00 0.34 C ATOM 229 C VAL A 35 -6.567 6.926 6.360 1.00 0.46 C ATOM 230 O VAL A 35 -7.386 6.161 5.851 1.00 0.72 O ATOM 231 CB VAL A 35 -6.195 8.948 4.933 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.138 9.821 4.278 1.00 0.90 C ATOM 233 CG2 VAL A 35 -7.291 8.594 3.945 1.00 1.39 C ATOM 0 H VAL A 35 -5.355 6.967 3.567 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.726 7.996 6.166 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.654 9.509 5.747 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -5.608 10.713 3.864 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -4.396 10.114 5.021 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.650 9.264 3.478 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -7.729 9.508 3.544 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -6.870 8.006 3.130 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -8.063 8.013 4.450 1.00 1.39 H new ATOM 243 N GLU A 36 -6.462 7.131 7.659 1.00 0.59 N ATOM 244 CA GLU A 36 -7.364 6.528 8.621 1.00 0.77 C ATOM 245 C GLU A 36 -8.741 7.215 8.587 1.00 0.71 C ATOM 246 O GLU A 36 -9.767 6.534 8.597 1.00 0.79 O ATOM 247 CB GLU A 36 -6.730 6.593 10.014 1.00 1.03 C ATOM 248 CG GLU A 36 -7.469 5.815 11.086 1.00 1.76 C ATOM 249 CD GLU A 36 -6.681 5.753 12.378 1.00 1.96 C ATOM 250 OE1 GLU A 36 -6.586 6.785 13.071 1.00 2.34 O ATOM 251 OE2 GLU A 36 -6.138 4.674 12.703 1.00 2.24 O ATOM 0 H GLU A 36 -5.745 7.723 8.078 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.527 5.482 8.362 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -5.709 6.217 9.951 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -6.667 7.637 10.321 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -8.437 6.281 11.272 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -7.666 4.803 10.731 1.00 1.76 H new ATOM 258 N PRO A 37 -8.802 8.571 8.555 1.00 0.70 N ATOM 259 CA PRO A 37 -10.066 9.280 8.340 1.00 0.83 C ATOM 260 C PRO A 37 -10.478 9.278 6.865 1.00 0.90 C ATOM 261 O PRO A 37 -9.639 9.094 5.985 1.00 1.46 O ATOM 262 CB PRO A 37 -9.757 10.703 8.809 1.00 0.91 C ATOM 263 CG PRO A 37 -8.299 10.870 8.563 1.00 0.91 C ATOM 264 CD PRO A 37 -7.679 9.513 8.765 1.00 0.73 C ATOM 0 HA PRO A 37 -10.896 8.816 8.872 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -10.340 11.439 8.254 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -9.999 10.834 9.864 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -8.114 11.235 7.553 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -7.870 11.600 9.249 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.870 9.334 8.056 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -7.255 9.413 9.764 1.00 0.73 H new ATOM 272 N ARG A 38 -11.776 9.470 6.611 1.00 0.89 N ATOM 273 CA ARG A 38 -12.345 9.491 5.251 1.00 0.93 C ATOM 274 C ARG A 38 -12.325 8.121 4.566 1.00 0.92 C ATOM 275 O ARG A 38 -12.948 7.940 3.521 1.00 1.42 O ATOM 276 CB ARG A 38 -11.645 10.517 4.351 1.00 0.99 C ATOM 277 CG ARG A 38 -12.117 11.946 4.553 1.00 1.31 C ATOM 278 CD ARG A 38 -11.703 12.825 3.383 1.00 1.06 C ATOM 279 NE ARG A 38 -12.350 14.136 3.417 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.597 14.365 2.999 1.00 1.91 C ATOM 281 NH1 ARG A 38 -14.348 13.368 2.540 1.00 2.37 N ATOM 282 NH2 ARG A 38 -14.092 15.595 3.029 1.00 2.60 N ATOM 0 H ARG A 38 -12.469 9.617 7.345 1.00 0.89 H new ATOM 0 HA ARG A 38 -13.386 9.783 5.387 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -10.571 10.471 4.534 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -11.803 10.238 3.309 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -13.202 11.963 4.660 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -11.699 12.344 5.478 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -10.621 12.956 3.395 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -11.953 12.323 2.448 1.00 1.06 H new ATOM 0 HE ARG A 38 -11.816 14.924 3.783 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -13.972 12.420 2.506 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -15.300 13.551 2.222 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.520 16.367 3.372 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -15.045 15.769 2.709 1.00 2.60 H new ATOM 296 N MET A 39 -11.623 7.162 5.143 1.00 0.73 N ATOM 297 CA MET A 39 -11.542 5.837 4.563 1.00 0.74 C ATOM 298 C MET A 39 -12.116 4.802 5.506 1.00 0.74 C ATOM 299 O MET A 39 -11.586 4.563 6.591 1.00 1.05 O ATOM 300 CB MET A 39 -10.102 5.485 4.187 1.00 0.80 C ATOM 301 CG MET A 39 -9.685 6.061 2.849 1.00 1.19 C ATOM 302 SD MET A 39 -7.952 5.754 2.441 1.00 1.27 S ATOM 303 CE MET A 39 -7.919 3.972 2.344 1.00 0.61 C ATOM 0 H MET A 39 -11.102 7.278 6.012 1.00 0.73 H new ATOM 0 HA MET A 39 -12.137 5.836 3.650 1.00 0.74 H new ATOM 0 HB2 MET A 39 -9.429 5.854 4.961 1.00 0.80 H new ATOM 0 HB3 MET A 39 -9.993 4.401 4.160 1.00 0.80 H new ATOM 0 HG2 MET A 39 -10.315 5.636 2.067 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.864 7.136 2.854 1.00 1.19 H new ATOM 0 HE1 MET A 39 -7.319 3.665 1.487 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.482 3.566 3.256 1.00 0.61 H new ATOM 0 HE3 MET A 39 -8.935 3.595 2.229 1.00 0.61 H new ATOM 313 N GLY A 40 -13.219 4.212 5.078 1.00 1.32 N ATOM 314 CA GLY A 40 -13.883 3.187 5.854 1.00 1.52 C ATOM 315 C GLY A 40 -12.988 1.996 6.123 1.00 1.39 C ATOM 316 O GLY A 40 -12.196 1.593 5.263 1.00 1.36 O ATOM 0 H GLY A 40 -13.673 4.429 4.191 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -14.214 3.610 6.802 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.776 2.855 5.324 1.00 1.52 H new ATOM 320 N ARG A 41 -13.115 1.444 7.322 1.00 1.34 N ATOM 321 CA ARG A 41 -12.318 0.300 7.750 1.00 1.26 C ATOM 322 C ARG A 41 -12.491 -0.888 6.810 1.00 1.15 C ATOM 323 O ARG A 41 -11.552 -1.650 6.606 1.00 1.03 O ATOM 324 CB ARG A 41 -12.716 -0.124 9.164 1.00 1.42 C ATOM 325 CG ARG A 41 -14.169 -0.544 9.265 1.00 1.79 C ATOM 326 CD ARG A 41 -14.435 -1.340 10.522 1.00 1.72 C ATOM 327 NE ARG A 41 -15.806 -1.845 10.550 1.00 2.20 N ATOM 328 CZ ARG A 41 -16.650 -1.687 11.570 1.00 2.49 C ATOM 329 NH1 ARG A 41 -16.266 -1.046 12.667 1.00 2.51 N ATOM 330 NH2 ARG A 41 -17.875 -2.187 11.494 1.00 3.20 N ATOM 0 H ARG A 41 -13.774 1.776 8.027 1.00 1.34 H new ATOM 0 HA ARG A 41 -11.273 0.609 7.733 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -12.081 -0.950 9.483 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -12.533 0.702 9.851 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -14.805 0.341 9.253 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -14.437 -1.141 8.393 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -13.736 -2.175 10.581 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -14.258 -0.713 11.396 1.00 1.72 H new ATOM 0 HE ARG A 41 -16.141 -2.354 9.732 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -15.320 -0.671 12.734 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -16.917 -0.929 13.443 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -18.169 -2.691 10.657 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -18.524 -2.068 12.272 1.00 3.20 H new ATOM 344 N SER A 42 -13.685 -1.039 6.244 1.00 1.23 N ATOM 345 CA SER A 42 -13.980 -2.173 5.381 1.00 1.19 C ATOM 346 C SER A 42 -13.069 -2.157 4.159 1.00 1.02 C ATOM 347 O SER A 42 -12.352 -3.126 3.893 1.00 0.94 O ATOM 348 CB SER A 42 -15.450 -2.142 4.956 1.00 1.38 C ATOM 349 OG SER A 42 -15.807 -3.314 4.243 1.00 2.00 O ATOM 0 H SER A 42 -14.462 -0.390 6.369 1.00 1.23 H new ATOM 0 HA SER A 42 -13.798 -3.094 5.934 1.00 1.19 H new ATOM 0 HB2 SER A 42 -16.083 -2.044 5.838 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.632 -1.266 4.334 1.00 1.38 H new ATOM 0 HG SER A 42 -16.752 -3.266 3.987 1.00 2.00 H new ATOM 355 N ARG A 43 -13.098 -1.046 3.434 1.00 1.01 N ATOM 356 CA ARG A 43 -12.240 -0.853 2.278 1.00 0.91 C ATOM 357 C ARG A 43 -10.776 -0.929 2.682 1.00 0.74 C ATOM 358 O ARG A 43 -9.983 -1.614 2.037 1.00 0.60 O ATOM 359 CB ARG A 43 -12.531 0.505 1.635 1.00 1.08 C ATOM 360 CG ARG A 43 -11.660 0.833 0.429 1.00 1.13 C ATOM 361 CD ARG A 43 -12.001 -0.032 -0.776 1.00 1.08 C ATOM 362 NE ARG A 43 -11.219 0.348 -1.957 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.760 0.643 -3.141 1.00 1.74 C ATOM 364 NH1 ARG A 43 -13.077 0.605 -3.299 1.00 2.48 N ATOM 365 NH2 ARG A 43 -10.984 0.982 -4.165 1.00 2.23 N ATOM 0 H ARG A 43 -13.715 -0.258 3.632 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.444 -1.645 1.557 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.577 0.531 1.330 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -12.398 1.284 2.386 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -11.785 1.884 0.167 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -10.611 0.692 0.691 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -11.813 -1.079 -0.537 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -13.064 0.058 -0.999 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.204 0.389 -1.869 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -13.678 0.350 -2.515 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -13.489 0.831 -4.204 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.971 1.017 -4.048 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -11.401 1.207 -5.068 1.00 2.23 H new ATOM 379 N ARG A 44 -10.421 -0.224 3.751 1.00 0.81 N ATOM 380 CA ARG A 44 -9.038 -0.175 4.188 1.00 0.77 C ATOM 381 C ARG A 44 -8.522 -1.564 4.554 1.00 0.68 C ATOM 382 O ARG A 44 -7.576 -2.041 3.941 1.00 0.62 O ATOM 383 CB ARG A 44 -8.865 0.791 5.361 1.00 0.95 C ATOM 384 CG ARG A 44 -7.413 0.992 5.765 1.00 0.98 C ATOM 385 CD ARG A 44 -7.219 2.253 6.592 1.00 1.46 C ATOM 386 NE ARG A 44 -8.086 2.291 7.769 1.00 1.62 N ATOM 387 CZ ARG A 44 -7.649 2.141 9.015 1.00 2.09 C ATOM 388 NH1 ARG A 44 -6.386 1.806 9.248 1.00 2.72 N ATOM 389 NH2 ARG A 44 -8.490 2.288 10.028 1.00 2.57 N ATOM 0 H ARG A 44 -11.069 0.316 4.324 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.444 0.195 3.352 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.298 1.755 5.095 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.425 0.415 6.218 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -7.073 0.128 6.337 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.792 1.046 4.871 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.178 2.319 6.909 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -7.418 3.126 5.970 1.00 1.46 H new ATOM 0 HE ARG A 44 -9.085 2.441 7.625 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -5.744 1.662 8.468 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -6.057 1.692 10.207 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -9.468 2.515 9.850 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -8.159 2.174 10.986 1.00 2.57 H new ATOM 403 N ALA A 45 -9.137 -2.216 5.540 1.00 0.82 N ATOM 404 CA ALA A 45 -8.723 -3.563 5.941 1.00 0.77 C ATOM 405 C ALA A 45 -8.595 -4.523 4.757 1.00 0.61 C ATOM 406 O ALA A 45 -7.587 -5.225 4.630 1.00 0.58 O ATOM 407 CB ALA A 45 -9.686 -4.133 6.968 1.00 0.91 C ATOM 0 H ALA A 45 -9.919 -1.837 6.074 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.732 -3.464 6.383 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.363 -5.134 7.254 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.701 -3.491 7.849 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.687 -4.184 6.539 1.00 0.91 H new ATOM 413 N PHE A 46 -9.624 -4.571 3.918 1.00 0.63 N ATOM 414 CA PHE A 46 -9.628 -5.462 2.763 1.00 0.57 C ATOM 415 C PHE A 46 -8.375 -5.273 1.892 1.00 0.44 C ATOM 416 O PHE A 46 -7.720 -6.249 1.536 1.00 0.44 O ATOM 417 CB PHE A 46 -10.946 -5.293 1.980 1.00 0.69 C ATOM 418 CG PHE A 46 -10.808 -4.989 0.518 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.699 -3.685 0.071 1.00 0.57 C ATOM 420 CD2 PHE A 46 -10.770 -6.014 -0.407 1.00 0.74 C ATOM 421 CE1 PHE A 46 -10.560 -3.411 -1.275 1.00 0.61 C ATOM 422 CE2 PHE A 46 -10.631 -5.752 -1.750 1.00 0.78 C ATOM 423 CZ PHE A 46 -10.580 -4.408 -2.187 1.00 0.71 C ATOM 0 H PHE A 46 -10.466 -4.004 4.016 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.583 -6.495 3.109 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.529 -6.208 2.087 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.521 -4.492 2.445 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.723 -2.873 0.782 1.00 0.57 H new ATOM 0 HD2 PHE A 46 -10.851 -7.037 -0.070 1.00 0.74 H new ATOM 0 HE1 PHE A 46 -10.434 -2.390 -1.602 1.00 0.61 H new ATOM 0 HE2 PHE A 46 -10.562 -6.562 -2.461 1.00 0.78 H new ATOM 0 HZ PHE A 46 -10.557 -4.180 -3.242 1.00 0.71 H new ATOM 433 N LEU A 47 -8.012 -4.031 1.602 1.00 0.39 N ATOM 434 CA LEU A 47 -6.820 -3.751 0.804 1.00 0.35 C ATOM 435 C LEU A 47 -5.564 -3.943 1.636 1.00 0.38 C ATOM 436 O LEU A 47 -4.485 -4.153 1.094 1.00 0.47 O ATOM 437 CB LEU A 47 -6.866 -2.325 0.253 1.00 0.36 C ATOM 438 CG LEU A 47 -6.715 -1.224 1.301 1.00 0.38 C ATOM 439 CD1 LEU A 47 -5.261 -0.820 1.473 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.567 -0.030 0.934 1.00 0.42 C ATOM 0 H LEU A 47 -8.522 -3.202 1.905 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.799 -4.451 -0.031 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -6.075 -2.212 -0.488 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.813 -2.183 -0.268 1.00 0.36 H new ATOM 0 HG LEU A 47 -7.061 -1.617 2.257 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -5.188 -0.035 2.226 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.679 -1.684 1.793 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.871 -0.451 0.524 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -7.450 0.747 1.690 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -7.253 0.357 -0.036 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.613 -0.331 0.883 1.00 0.42 H new ATOM 452 N THR A 48 -5.712 -3.909 2.950 1.00 0.40 N ATOM 453 CA THR A 48 -4.556 -3.945 3.833 1.00 0.48 C ATOM 454 C THR A 48 -3.931 -5.334 3.801 1.00 0.48 C ATOM 455 O THR A 48 -2.765 -5.488 3.438 1.00 0.57 O ATOM 456 CB THR A 48 -4.925 -3.561 5.285 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.420 -2.218 5.323 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.727 -3.676 6.217 1.00 0.69 C ATOM 0 H THR A 48 -6.612 -3.857 3.426 1.00 0.40 H new ATOM 0 HA THR A 48 -3.837 -3.208 3.474 1.00 0.48 H new ATOM 0 HB THR A 48 -5.694 -4.255 5.624 1.00 0.59 H new ATOM 0 HG1 THR A 48 -6.088 -2.096 4.617 1.00 0.64 H new ATOM 0 HG21 THR A 48 -4.025 -3.398 7.228 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.362 -4.703 6.215 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.935 -3.009 5.876 1.00 0.69 H new ATOM 466 N GLY A 49 -4.714 -6.351 4.158 1.00 0.45 N ATOM 467 CA GLY A 49 -4.219 -7.713 4.110 1.00 0.50 C ATOM 468 C GLY A 49 -4.007 -8.211 2.696 1.00 0.42 C ATOM 469 O GLY A 49 -3.198 -9.107 2.462 1.00 0.42 O ATOM 0 H GLY A 49 -5.678 -6.254 4.478 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.277 -7.772 4.656 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -4.925 -8.369 4.619 1.00 0.50 H new ATOM 473 N LEU A 50 -4.716 -7.617 1.749 1.00 0.43 N ATOM 474 CA LEU A 50 -4.595 -8.041 0.362 1.00 0.42 C ATOM 475 C LEU A 50 -3.310 -7.517 -0.253 1.00 0.41 C ATOM 476 O LEU A 50 -2.514 -8.286 -0.786 1.00 0.46 O ATOM 477 CB LEU A 50 -5.795 -7.601 -0.471 1.00 0.44 C ATOM 478 CG LEU A 50 -7.013 -8.524 -0.392 1.00 0.46 C ATOM 479 CD1 LEU A 50 -8.100 -8.045 -1.334 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.617 -9.952 -0.721 1.00 0.48 C ATOM 0 H LEU A 50 -5.371 -6.852 1.910 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.568 -9.131 0.360 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -6.094 -6.603 -0.151 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.485 -7.522 -1.513 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.402 -8.499 0.626 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.960 -8.712 -1.266 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -8.402 -7.035 -1.058 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.721 -8.044 -2.356 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.494 -10.596 -0.660 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.206 -9.992 -1.730 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -5.866 -10.294 -0.009 1.00 0.48 H new ATOM 492 N ALA A 51 -3.101 -6.215 -0.150 1.00 0.38 N ATOM 493 CA ALA A 51 -1.936 -5.572 -0.751 1.00 0.39 C ATOM 494 C ALA A 51 -0.625 -6.135 -0.205 1.00 0.43 C ATOM 495 O ALA A 51 0.349 -6.278 -0.946 1.00 0.47 O ATOM 496 CB ALA A 51 -2.000 -4.070 -0.549 1.00 0.38 C ATOM 0 H ALA A 51 -3.724 -5.577 0.346 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.957 -5.787 -1.819 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -1.125 -3.604 -1.002 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.903 -3.678 -1.017 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -2.018 -3.847 0.518 1.00 0.38 H new ATOM 502 N ARG A 52 -0.606 -6.469 1.083 1.00 0.45 N ATOM 503 CA ARG A 52 0.585 -7.052 1.691 1.00 0.51 C ATOM 504 C ARG A 52 0.901 -8.402 1.060 1.00 0.60 C ATOM 505 O ARG A 52 2.050 -8.688 0.730 1.00 0.75 O ATOM 506 CB ARG A 52 0.419 -7.214 3.202 1.00 0.54 C ATOM 507 CG ARG A 52 0.239 -5.902 3.945 1.00 1.12 C ATOM 508 CD ARG A 52 0.283 -6.106 5.451 1.00 1.04 C ATOM 509 NE ARG A 52 -0.655 -7.133 5.901 1.00 1.51 N ATOM 510 CZ ARG A 52 -1.219 -7.157 7.108 1.00 1.87 C ATOM 511 NH1 ARG A 52 -0.982 -6.181 7.978 1.00 1.75 N ATOM 512 NH2 ARG A 52 -2.019 -8.160 7.438 1.00 2.79 N ATOM 0 H ARG A 52 -1.394 -6.347 1.720 1.00 0.45 H new ATOM 0 HA ARG A 52 1.414 -6.368 1.509 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.443 -7.852 3.397 1.00 0.54 H new ATOM 0 HB3 ARG A 52 1.293 -7.729 3.601 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.022 -5.204 3.648 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.713 -5.451 3.665 1.00 1.12 H new ATOM 0 HD2 ARG A 52 1.294 -6.386 5.748 1.00 1.04 H new ATOM 0 HD3 ARG A 52 0.053 -5.164 5.950 1.00 1.04 H new ATOM 0 HE ARG A 52 -0.893 -7.880 5.248 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -0.366 -5.409 7.723 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.416 -6.204 8.901 1.00 1.75 H new ATOM 0 HH21 ARG A 52 -2.201 -8.909 6.770 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -2.453 -8.184 8.361 1.00 2.79 H new ATOM 526 N SER A 53 -0.129 -9.218 0.873 1.00 0.54 N ATOM 527 CA SER A 53 0.041 -10.535 0.276 1.00 0.61 C ATOM 528 C SER A 53 0.316 -10.419 -1.225 1.00 0.61 C ATOM 529 O SER A 53 0.704 -11.392 -1.872 1.00 0.69 O ATOM 530 CB SER A 53 -1.211 -11.381 0.516 1.00 0.63 C ATOM 531 OG SER A 53 -1.560 -11.408 1.896 1.00 1.36 O ATOM 0 H SER A 53 -1.090 -8.990 1.126 1.00 0.54 H new ATOM 0 HA SER A 53 0.897 -11.020 0.745 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.042 -10.978 -0.064 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.039 -12.398 0.162 1.00 0.63 H new ATOM 0 HG SER A 53 -2.130 -10.639 2.104 1.00 1.36 H new ATOM 537 N LYS A 54 0.118 -9.222 -1.770 1.00 0.57 N ATOM 538 CA LYS A 54 0.324 -8.988 -3.192 1.00 0.60 C ATOM 539 C LYS A 54 1.780 -8.667 -3.501 1.00 0.63 C ATOM 540 O LYS A 54 2.392 -9.329 -4.342 1.00 0.76 O ATOM 541 CB LYS A 54 -0.577 -7.861 -3.697 1.00 0.56 C ATOM 542 CG LYS A 54 -2.041 -8.248 -3.769 1.00 0.54 C ATOM 543 CD LYS A 54 -2.256 -9.410 -4.718 1.00 0.60 C ATOM 544 CE LYS A 54 -3.708 -9.857 -4.746 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.908 -11.023 -5.645 1.00 0.83 N ATOM 0 H LYS A 54 -0.185 -8.400 -1.247 1.00 0.57 H new ATOM 0 HA LYS A 54 0.060 -9.909 -3.711 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.469 -6.997 -3.041 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.241 -7.553 -4.687 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.398 -8.517 -2.775 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.630 -7.392 -4.099 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.946 -9.121 -5.722 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.624 -10.246 -4.417 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.028 -10.117 -3.737 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.337 -9.030 -5.077 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.911 -11.299 -5.638 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.626 -10.767 -6.613 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.327 -11.820 -5.314 1.00 0.83 H new ATOM 559 N GLY A 55 2.343 -7.668 -2.828 1.00 0.56 N ATOM 560 CA GLY A 55 3.724 -7.294 -3.087 1.00 0.61 C ATOM 561 C GLY A 55 4.016 -5.849 -2.709 1.00 0.54 C ATOM 562 O GLY A 55 4.798 -5.179 -3.377 1.00 0.57 O ATOM 0 H GLY A 55 1.873 -7.114 -2.113 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.387 -7.954 -2.527 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.945 -7.442 -4.144 1.00 0.61 H new ATOM 566 N PHE A 56 3.367 -5.369 -1.649 1.00 0.50 N ATOM 567 CA PHE A 56 3.604 -4.016 -1.130 1.00 0.47 C ATOM 568 C PHE A 56 3.408 -4.007 0.379 1.00 0.42 C ATOM 569 O PHE A 56 2.637 -4.820 0.889 1.00 0.65 O ATOM 570 CB PHE A 56 2.601 -3.031 -1.749 1.00 0.66 C ATOM 571 CG PHE A 56 2.259 -3.296 -3.188 1.00 0.56 C ATOM 572 CD1 PHE A 56 3.063 -2.803 -4.204 1.00 0.61 C ATOM 573 CD2 PHE A 56 1.137 -4.030 -3.523 1.00 0.53 C ATOM 574 CE1 PHE A 56 2.748 -3.034 -5.527 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.817 -4.264 -4.843 1.00 0.48 C ATOM 576 CZ PHE A 56 1.633 -3.802 -5.843 1.00 0.47 C ATOM 0 H PHE A 56 2.668 -5.898 -1.128 1.00 0.50 H new ATOM 0 HA PHE A 56 4.622 -3.720 -1.384 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.683 -3.054 -1.162 1.00 0.66 H new ATOM 0 HB3 PHE A 56 3.007 -2.023 -1.667 1.00 0.66 H new ATOM 0 HD1 PHE A 56 3.946 -2.232 -3.957 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.504 -4.425 -2.742 1.00 0.53 H new ATOM 0 HE1 PHE A 56 3.364 -2.621 -6.312 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.079 -4.813 -5.090 1.00 0.48 H new ATOM 0 HZ PHE A 56 1.410 -4.034 -6.874 1.00 0.47 H new ATOM 586 N ARG A 57 4.086 -3.124 1.122 1.00 0.46 N ATOM 587 CA ARG A 57 3.857 -3.027 2.551 1.00 0.68 C ATOM 588 C ARG A 57 2.909 -1.894 2.917 1.00 0.79 C ATOM 589 O ARG A 57 2.888 -0.845 2.273 1.00 1.17 O ATOM 590 CB ARG A 57 5.182 -2.779 3.277 1.00 0.93 C ATOM 591 CG ARG A 57 5.986 -1.599 2.756 1.00 0.72 C ATOM 592 CD ARG A 57 6.854 -0.984 3.845 1.00 1.01 C ATOM 593 NE ARG A 57 7.487 -1.990 4.697 1.00 1.72 N ATOM 594 CZ ARG A 57 8.479 -1.733 5.550 1.00 2.00 C ATOM 595 NH1 ARG A 57 9.032 -0.527 5.600 1.00 1.80 N ATOM 596 NH2 ARG A 57 8.927 -2.692 6.346 1.00 3.00 N ATOM 0 H ARG A 57 4.786 -2.479 0.755 1.00 0.46 H new ATOM 0 HA ARG A 57 3.406 -3.972 2.855 1.00 0.68 H new ATOM 0 HB2 ARG A 57 4.975 -2.620 4.335 1.00 0.93 H new ATOM 0 HB3 ARG A 57 5.794 -3.678 3.203 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.617 -1.925 1.929 1.00 0.72 H new ATOM 0 HG3 ARG A 57 5.308 -0.843 2.361 1.00 0.72 H new ATOM 0 HD2 ARG A 57 7.625 -0.367 3.384 1.00 1.01 H new ATOM 0 HD3 ARG A 57 6.243 -0.324 4.461 1.00 1.01 H new ATOM 0 HE ARG A 57 7.148 -2.950 4.635 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.698 0.213 4.982 1.00 1.80 H new ATOM 0 HH12 ARG A 57 9.790 -0.340 6.256 1.00 1.80 H new ATOM 0 HH21 ARG A 57 8.513 -3.623 6.305 1.00 3.00 H new ATOM 0 HH22 ARG A 57 9.686 -2.499 7.000 1.00 3.00 H new ATOM 610 N VAL A 58 2.143 -2.116 3.973 1.00 0.67 N ATOM 611 CA VAL A 58 1.379 -1.064 4.597 1.00 0.69 C ATOM 612 C VAL A 58 2.256 -0.305 5.595 1.00 0.68 C ATOM 613 O VAL A 58 2.536 -0.784 6.696 1.00 0.73 O ATOM 614 CB VAL A 58 0.130 -1.615 5.315 1.00 0.76 C ATOM 615 CG1 VAL A 58 -0.668 -0.491 5.960 1.00 0.81 C ATOM 616 CG2 VAL A 58 -0.743 -2.397 4.345 1.00 0.88 C ATOM 0 H VAL A 58 2.038 -3.029 4.415 1.00 0.67 H new ATOM 0 HA VAL A 58 1.043 -0.387 3.812 1.00 0.69 H new ATOM 0 HB VAL A 58 0.465 -2.290 6.103 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -1.543 -0.906 6.459 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -0.045 0.025 6.690 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.988 0.214 5.193 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.619 -2.778 4.870 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -1.062 -1.743 3.534 1.00 0.88 H new ATOM 0 HG23 VAL A 58 -0.174 -3.232 3.935 1.00 0.88 H new ATOM 626 N LEU A 59 2.697 0.861 5.169 1.00 0.70 N ATOM 627 CA LEU A 59 3.557 1.716 5.969 1.00 0.77 C ATOM 628 C LEU A 59 2.719 2.478 6.998 1.00 0.91 C ATOM 629 O LEU A 59 1.562 2.808 6.745 1.00 1.02 O ATOM 630 CB LEU A 59 4.317 2.669 5.037 1.00 0.74 C ATOM 631 CG LEU A 59 5.698 3.140 5.518 1.00 0.87 C ATOM 632 CD1 LEU A 59 5.576 4.325 6.451 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.450 2.005 6.198 1.00 0.99 C ATOM 0 H LEU A 59 2.469 1.246 4.253 1.00 0.70 H new ATOM 0 HA LEU A 59 4.284 1.117 6.517 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.441 2.176 4.073 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.696 3.549 4.868 1.00 0.74 H new ATOM 0 HG LEU A 59 6.265 3.454 4.642 1.00 0.87 H new ATOM 0 HD11 LEU A 59 6.569 4.637 6.775 1.00 1.13 H new ATOM 0 HD12 LEU A 59 5.089 5.149 5.930 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.982 4.044 7.321 1.00 1.13 H new ATOM 0 HD21 LEU A 59 7.425 2.362 6.530 1.00 0.99 H new ATOM 0 HD22 LEU A 59 5.880 1.655 7.058 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.585 1.184 5.493 1.00 0.99 H new ATOM 645 N ASP A 60 3.306 2.730 8.162 1.00 1.06 N ATOM 646 CA ASP A 60 2.580 3.327 9.279 1.00 1.31 C ATOM 647 C ASP A 60 2.630 4.860 9.222 1.00 1.32 C ATOM 648 O ASP A 60 3.228 5.440 8.313 1.00 2.09 O ATOM 649 CB ASP A 60 3.168 2.824 10.602 1.00 1.89 C ATOM 650 CG ASP A 60 2.162 2.834 11.737 1.00 2.15 C ATOM 651 OD1 ASP A 60 1.909 3.914 12.311 1.00 2.89 O ATOM 652 OD2 ASP A 60 1.638 1.750 12.075 1.00 2.30 O ATOM 0 H ASP A 60 4.287 2.530 8.358 1.00 1.06 H new ATOM 0 HA ASP A 60 1.534 3.027 9.209 1.00 1.31 H new ATOM 0 HB2 ASP A 60 3.543 1.810 10.465 1.00 1.89 H new ATOM 0 HB3 ASP A 60 4.021 3.445 10.874 1.00 1.89 H new ATOM 657 N ALA A 61 2.016 5.506 10.206 1.00 1.32 N ATOM 658 CA ALA A 61 1.925 6.958 10.243 1.00 1.55 C ATOM 659 C ALA A 61 3.214 7.572 10.769 1.00 1.25 C ATOM 660 O ALA A 61 4.037 6.874 11.367 1.00 1.76 O ATOM 661 CB ALA A 61 0.746 7.387 11.105 1.00 2.66 C ATOM 0 H ALA A 61 1.570 5.040 10.996 1.00 1.32 H new ATOM 0 HA ALA A 61 1.770 7.317 9.225 1.00 1.55 H new ATOM 0 HB1 ALA A 61 0.687 8.475 11.126 1.00 2.66 H new ATOM 0 HB2 ALA A 61 -0.176 6.982 10.688 1.00 2.66 H new ATOM 0 HB3 ALA A 61 0.881 7.012 12.119 1.00 2.66 H new ATOM 667 N CYS A 62 3.383 8.874 10.527 1.00 1.19 N ATOM 668 CA CYS A 62 4.552 9.638 10.984 1.00 1.18 C ATOM 669 C CYS A 62 5.791 9.306 10.149 1.00 1.18 C ATOM 670 O CYS A 62 6.525 10.204 9.728 1.00 1.66 O ATOM 671 CB CYS A 62 4.823 9.405 12.479 1.00 1.44 C ATOM 672 SG CYS A 62 6.159 10.417 13.161 1.00 2.09 S ATOM 0 H CYS A 62 2.709 9.434 10.005 1.00 1.19 H new ATOM 0 HA CYS A 62 4.326 10.695 10.846 1.00 1.18 H new ATOM 0 HB2 CYS A 62 3.909 9.607 13.038 1.00 1.44 H new ATOM 0 HB3 CYS A 62 5.065 8.353 12.633 1.00 1.44 H new ATOM 0 HG CYS A 62 6.306 10.147 14.424 1.00 2.09 H new ATOM 678 N SER A 63 6.017 8.024 9.904 1.00 1.03 N ATOM 679 CA SER A 63 7.129 7.581 9.083 1.00 1.07 C ATOM 680 C SER A 63 6.926 7.996 7.625 1.00 1.01 C ATOM 681 O SER A 63 5.999 7.541 6.953 1.00 1.03 O ATOM 682 CB SER A 63 7.284 6.068 9.217 1.00 1.23 C ATOM 683 OG SER A 63 6.020 5.440 9.372 1.00 1.76 O ATOM 0 H SER A 63 5.438 7.267 10.267 1.00 1.03 H new ATOM 0 HA SER A 63 8.046 8.058 9.428 1.00 1.07 H new ATOM 0 HB2 SER A 63 7.786 5.671 8.335 1.00 1.23 H new ATOM 0 HB3 SER A 63 7.916 5.838 10.075 1.00 1.23 H new ATOM 0 HG SER A 63 5.376 5.843 8.752 1.00 1.76 H new ATOM 689 N SER A 64 7.806 8.862 7.142 1.00 1.04 N ATOM 690 CA SER A 64 7.683 9.440 5.811 1.00 1.05 C ATOM 691 C SER A 64 8.194 8.505 4.711 1.00 0.99 C ATOM 692 O SER A 64 8.250 8.894 3.544 1.00 1.01 O ATOM 693 CB SER A 64 8.435 10.774 5.778 1.00 1.23 C ATOM 694 OG SER A 64 9.655 10.676 6.494 1.00 1.95 O ATOM 0 H SER A 64 8.624 9.183 7.660 1.00 1.04 H new ATOM 0 HA SER A 64 6.624 9.599 5.608 1.00 1.05 H new ATOM 0 HB2 SER A 64 8.635 11.060 4.745 1.00 1.23 H new ATOM 0 HB3 SER A 64 7.815 11.558 6.211 1.00 1.23 H new ATOM 0 HG SER A 64 10.123 11.536 6.461 1.00 1.95 H new ATOM 700 N GLU A 65 8.551 7.275 5.080 1.00 0.97 N ATOM 701 CA GLU A 65 9.017 6.291 4.103 1.00 0.96 C ATOM 702 C GLU A 65 7.899 5.922 3.131 1.00 0.83 C ATOM 703 O GLU A 65 8.157 5.508 1.999 1.00 0.86 O ATOM 704 CB GLU A 65 9.515 5.021 4.794 1.00 1.04 C ATOM 705 CG GLU A 65 10.050 3.985 3.814 1.00 1.17 C ATOM 706 CD GLU A 65 10.221 2.615 4.429 1.00 1.41 C ATOM 707 OE1 GLU A 65 11.265 2.376 5.071 1.00 1.70 O ATOM 708 OE2 GLU A 65 9.303 1.781 4.292 1.00 1.51 O ATOM 0 H GLU A 65 8.527 6.938 6.042 1.00 0.97 H new ATOM 0 HA GLU A 65 9.842 6.745 3.554 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.300 5.283 5.503 1.00 1.04 H new ATOM 0 HB3 GLU A 65 8.700 4.583 5.369 1.00 1.04 H new ATOM 0 HG2 GLU A 65 9.370 3.913 2.965 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.010 4.324 3.425 1.00 1.17 H new ATOM 715 N ALA A 66 6.659 6.077 3.583 1.00 0.78 N ATOM 716 CA ALA A 66 5.508 5.718 2.773 1.00 0.71 C ATOM 717 C ALA A 66 5.472 6.577 1.528 1.00 0.66 C ATOM 718 O ALA A 66 5.189 7.770 1.609 1.00 0.90 O ATOM 719 CB ALA A 66 4.221 5.887 3.557 1.00 0.80 C ATOM 0 H ALA A 66 6.429 6.448 4.505 1.00 0.78 H new ATOM 0 HA ALA A 66 5.599 4.670 2.488 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.374 5.612 2.929 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.244 5.244 4.437 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.119 6.926 3.869 1.00 0.80 H new ATOM 725 N THR A 67 5.765 5.978 0.385 1.00 0.57 N ATOM 726 CA THR A 67 5.878 6.733 -0.844 1.00 0.51 C ATOM 727 C THR A 67 4.641 6.527 -1.721 1.00 0.41 C ATOM 728 O THR A 67 4.686 6.658 -2.943 1.00 0.55 O ATOM 729 CB THR A 67 7.131 6.254 -1.607 1.00 0.62 C ATOM 730 OG1 THR A 67 7.372 7.061 -2.766 1.00 0.67 O ATOM 731 CG2 THR A 67 6.968 4.790 -2.008 1.00 0.70 C ATOM 0 H THR A 67 5.928 4.976 0.287 1.00 0.57 H new ATOM 0 HA THR A 67 5.960 7.793 -0.605 1.00 0.51 H new ATOM 0 HB THR A 67 7.992 6.352 -0.945 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.553 7.116 -3.302 1.00 0.67 H new ATOM 0 HG21 THR A 67 7.856 4.459 -2.546 1.00 0.70 H new ATOM 0 HG22 THR A 67 6.837 4.180 -1.114 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.094 4.684 -2.651 1.00 0.70 H new ATOM 739 N HIS A 68 3.516 6.269 -1.077 1.00 0.50 N ATOM 740 CA HIS A 68 2.233 6.223 -1.763 1.00 0.42 C ATOM 741 C HIS A 68 1.112 6.496 -0.795 1.00 0.44 C ATOM 742 O HIS A 68 0.779 5.652 0.032 1.00 0.61 O ATOM 743 CB HIS A 68 1.999 4.861 -2.437 1.00 0.51 C ATOM 744 CG HIS A 68 2.675 4.701 -3.767 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.848 3.996 -3.940 1.00 1.34 N ATOM 746 CD2 HIS A 68 2.324 5.149 -4.996 1.00 1.05 C ATOM 747 CE1 HIS A 68 4.189 4.018 -5.215 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.282 4.710 -5.879 1.00 0.72 N ATOM 0 H HIS A 68 3.464 6.087 -0.075 1.00 0.50 H new ATOM 0 HA HIS A 68 2.250 6.992 -2.535 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.349 4.074 -1.769 1.00 0.51 H new ATOM 0 HB3 HIS A 68 0.927 4.714 -2.568 1.00 0.51 H new ATOM 0 HD2 HIS A 68 1.454 5.741 -5.237 1.00 1.05 H new ATOM 0 HE1 HIS A 68 5.063 3.549 -5.643 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.290 4.890 -6.883 1.00 0.72 H new ATOM 757 N VAL A 69 0.573 7.693 -0.871 1.00 0.37 N ATOM 758 CA VAL A 69 -0.632 8.006 -0.147 1.00 0.36 C ATOM 759 C VAL A 69 -1.834 7.665 -1.002 1.00 0.34 C ATOM 760 O VAL A 69 -2.003 8.179 -2.103 1.00 0.43 O ATOM 761 CB VAL A 69 -0.702 9.484 0.273 1.00 0.41 C ATOM 762 CG1 VAL A 69 -2.054 9.777 0.904 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.422 9.828 1.239 1.00 0.43 C ATOM 0 H VAL A 69 0.951 8.461 -1.426 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.629 7.410 0.766 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.582 10.104 -0.615 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -2.098 10.825 1.200 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.845 9.570 0.183 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -2.190 9.146 1.783 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.351 10.878 1.521 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.339 9.206 2.131 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.383 9.646 0.758 1.00 0.43 H new ATOM 773 N VAL A 70 -2.664 6.807 -0.460 1.00 0.35 N ATOM 774 CA VAL A 70 -3.814 6.279 -1.171 1.00 0.36 C ATOM 775 C VAL A 70 -5.056 6.592 -0.357 1.00 0.39 C ATOM 776 O VAL A 70 -5.067 6.392 0.859 1.00 0.65 O ATOM 777 CB VAL A 70 -3.695 4.753 -1.384 1.00 0.46 C ATOM 778 CG1 VAL A 70 -4.584 4.300 -2.521 1.00 0.90 C ATOM 779 CG2 VAL A 70 -2.253 4.341 -1.645 1.00 0.69 C ATOM 0 H VAL A 70 -2.564 6.451 0.491 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.870 6.742 -2.156 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.025 4.265 -0.467 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -4.485 3.223 -2.654 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -5.621 4.543 -2.291 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -4.288 4.807 -3.439 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.204 3.262 -1.791 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -1.887 4.845 -2.539 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -1.635 4.621 -0.792 1.00 0.69 H new ATOM 789 N MET A 71 -6.100 7.080 -1.013 1.00 0.35 N ATOM 790 CA MET A 71 -7.245 7.638 -0.301 1.00 0.34 C ATOM 791 C MET A 71 -8.543 7.365 -1.045 1.00 0.30 C ATOM 792 O MET A 71 -8.573 7.326 -2.276 1.00 0.37 O ATOM 793 CB MET A 71 -7.061 9.150 -0.091 1.00 0.45 C ATOM 794 CG MET A 71 -5.869 9.496 0.791 1.00 1.06 C ATOM 795 SD MET A 71 -5.629 11.269 1.020 1.00 1.38 S ATOM 796 CE MET A 71 -7.098 11.722 1.942 1.00 1.68 C ATOM 0 H MET A 71 -6.179 7.102 -2.030 1.00 0.35 H new ATOM 0 HA MET A 71 -7.304 7.150 0.672 1.00 0.34 H new ATOM 0 HB2 MET A 71 -6.938 9.632 -1.061 1.00 0.45 H new ATOM 0 HB3 MET A 71 -7.966 9.560 0.357 1.00 0.45 H new ATOM 0 HG2 MET A 71 -6.001 9.027 1.766 1.00 1.06 H new ATOM 0 HG3 MET A 71 -4.967 9.070 0.352 1.00 1.06 H new ATOM 0 HE1 MET A 71 -7.484 12.670 1.568 1.00 1.68 H new ATOM 0 HE2 MET A 71 -7.856 10.949 1.821 1.00 1.68 H new ATOM 0 HE3 MET A 71 -6.848 11.823 2.998 1.00 1.68 H new ATOM 806 N GLU A 72 -9.605 7.154 -0.277 1.00 0.33 N ATOM 807 CA GLU A 72 -10.941 6.937 -0.819 1.00 0.39 C ATOM 808 C GLU A 72 -11.867 8.045 -0.325 1.00 0.41 C ATOM 809 O GLU A 72 -11.619 8.631 0.731 1.00 0.49 O ATOM 810 CB GLU A 72 -11.470 5.556 -0.394 1.00 0.56 C ATOM 811 CG GLU A 72 -12.879 5.233 -0.886 1.00 1.10 C ATOM 812 CD GLU A 72 -13.020 5.301 -2.397 1.00 1.59 C ATOM 813 OE1 GLU A 72 -13.224 6.409 -2.932 1.00 2.28 O ATOM 814 OE2 GLU A 72 -12.911 4.244 -3.054 1.00 1.94 O ATOM 0 H GLU A 72 -9.564 7.128 0.742 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.903 6.962 -1.908 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.787 4.791 -0.763 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.457 5.496 0.694 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -13.154 4.234 -0.547 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -13.583 5.929 -0.431 1.00 1.10 H new ATOM 821 N GLU A 73 -12.911 8.344 -1.104 1.00 0.51 N ATOM 822 CA GLU A 73 -13.867 9.402 -0.771 1.00 0.68 C ATOM 823 C GLU A 73 -13.145 10.725 -0.546 1.00 0.66 C ATOM 824 O GLU A 73 -13.536 11.527 0.307 1.00 0.81 O ATOM 825 CB GLU A 73 -14.682 9.027 0.472 1.00 0.87 C ATOM 826 CG GLU A 73 -15.541 7.789 0.287 1.00 1.08 C ATOM 827 CD GLU A 73 -16.337 7.451 1.528 1.00 1.30 C ATOM 828 OE1 GLU A 73 -17.386 8.088 1.760 1.00 1.54 O ATOM 829 OE2 GLU A 73 -15.921 6.549 2.281 1.00 1.74 O ATOM 0 H GLU A 73 -13.116 7.861 -1.979 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.551 9.516 -1.612 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.001 8.864 1.307 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.323 9.866 0.742 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -16.224 7.945 -0.548 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.904 6.944 0.025 1.00 1.08 H new ATOM 836 N THR A 74 -12.089 10.943 -1.312 1.00 0.57 N ATOM 837 CA THR A 74 -11.257 12.107 -1.140 1.00 0.56 C ATOM 838 C THR A 74 -11.119 12.883 -2.442 1.00 0.56 C ATOM 839 O THR A 74 -10.724 12.331 -3.469 1.00 0.75 O ATOM 840 CB THR A 74 -9.866 11.695 -0.637 1.00 0.77 C ATOM 841 OG1 THR A 74 -9.983 11.008 0.618 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.969 12.910 -0.480 1.00 0.63 C ATOM 0 H THR A 74 -11.792 10.320 -2.063 1.00 0.57 H new ATOM 0 HA THR A 74 -11.735 12.752 -0.403 1.00 0.56 H new ATOM 0 HB THR A 74 -9.417 11.027 -1.373 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.512 10.192 0.496 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.989 12.595 -0.123 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.861 13.409 -1.443 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.413 13.599 0.238 1.00 0.63 H new ATOM 850 N SER A 75 -11.478 14.155 -2.397 1.00 0.55 N ATOM 851 CA SER A 75 -11.255 15.049 -3.518 1.00 0.63 C ATOM 852 C SER A 75 -9.768 15.381 -3.612 1.00 0.53 C ATOM 853 O SER A 75 -9.065 15.323 -2.602 1.00 0.52 O ATOM 854 CB SER A 75 -12.075 16.325 -3.330 1.00 0.76 C ATOM 855 OG SER A 75 -13.420 16.018 -2.993 1.00 1.31 O ATOM 0 H SER A 75 -11.927 14.592 -1.592 1.00 0.55 H new ATOM 0 HA SER A 75 -11.570 14.565 -4.443 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.630 16.936 -2.545 1.00 0.76 H new ATOM 0 HB3 SER A 75 -12.051 16.916 -4.246 1.00 0.76 H new ATOM 0 HG SER A 75 -13.926 16.849 -2.876 1.00 1.31 H new ATOM 861 N ALA A 76 -9.291 15.705 -4.811 1.00 0.52 N ATOM 862 CA ALA A 76 -7.871 15.986 -5.033 1.00 0.49 C ATOM 863 C ALA A 76 -7.308 16.932 -3.971 1.00 0.40 C ATOM 864 O ALA A 76 -6.277 16.651 -3.361 1.00 0.41 O ATOM 865 CB ALA A 76 -7.664 16.573 -6.417 1.00 0.57 C ATOM 0 H ALA A 76 -9.868 15.780 -5.649 1.00 0.52 H new ATOM 0 HA ALA A 76 -7.331 15.042 -4.956 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.604 16.778 -6.571 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -8.009 15.863 -7.169 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -8.230 17.500 -6.507 1.00 0.57 H new ATOM 871 N GLU A 77 -8.026 18.022 -3.722 1.00 0.42 N ATOM 872 CA GLU A 77 -7.577 19.049 -2.782 1.00 0.44 C ATOM 873 C GLU A 77 -7.470 18.495 -1.358 1.00 0.38 C ATOM 874 O GLU A 77 -6.487 18.746 -0.661 1.00 0.39 O ATOM 875 CB GLU A 77 -8.521 20.252 -2.813 1.00 0.61 C ATOM 876 CG GLU A 77 -9.960 19.900 -2.492 1.00 1.06 C ATOM 877 CD GLU A 77 -10.876 21.097 -2.529 1.00 1.33 C ATOM 878 OE1 GLU A 77 -11.381 21.430 -3.619 1.00 1.80 O ATOM 879 OE2 GLU A 77 -11.103 21.708 -1.466 1.00 1.91 O ATOM 0 H GLU A 77 -8.926 18.220 -4.159 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.583 19.371 -3.092 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -8.170 20.998 -2.100 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.479 20.711 -3.801 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.315 19.155 -3.204 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -10.006 19.443 -1.503 1.00 1.06 H new ATOM 886 N GLU A 78 -8.496 17.761 -0.932 1.00 0.41 N ATOM 887 CA GLU A 78 -8.500 17.094 0.368 1.00 0.43 C ATOM 888 C GLU A 78 -7.210 16.316 0.606 1.00 0.38 C ATOM 889 O GLU A 78 -6.590 16.439 1.662 1.00 0.40 O ATOM 890 CB GLU A 78 -9.697 16.151 0.476 1.00 0.51 C ATOM 891 CG GLU A 78 -11.035 16.864 0.570 1.00 0.59 C ATOM 892 CD GLU A 78 -11.198 17.608 1.877 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.529 16.966 2.896 1.00 1.95 O ATOM 894 OE2 GLU A 78 -10.996 18.838 1.896 1.00 1.38 O ATOM 0 H GLU A 78 -9.346 17.612 -1.477 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.575 17.867 1.132 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.708 15.492 -0.392 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.571 15.518 1.355 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.130 17.565 -0.259 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.840 16.137 0.466 1.00 0.59 H new ATOM 901 N ALA A 79 -6.800 15.528 -0.379 1.00 0.34 N ATOM 902 CA ALA A 79 -5.584 14.735 -0.256 1.00 0.32 C ATOM 903 C ALA A 79 -4.343 15.609 -0.412 1.00 0.33 C ATOM 904 O ALA A 79 -3.289 15.309 0.146 1.00 0.38 O ATOM 905 CB ALA A 79 -5.582 13.596 -1.265 1.00 0.32 C ATOM 0 H ALA A 79 -7.289 15.421 -1.268 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.560 14.301 0.744 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.666 13.016 -1.157 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.443 12.951 -1.088 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.636 14.004 -2.274 1.00 0.32 H new ATOM 911 N VAL A 80 -4.476 16.696 -1.166 1.00 0.33 N ATOM 912 CA VAL A 80 -3.402 17.672 -1.300 1.00 0.39 C ATOM 913 C VAL A 80 -3.079 18.291 0.055 1.00 0.45 C ATOM 914 O VAL A 80 -1.929 18.272 0.497 1.00 0.52 O ATOM 915 CB VAL A 80 -3.769 18.786 -2.309 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.843 19.982 -2.173 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.727 18.251 -3.729 1.00 0.44 C ATOM 0 H VAL A 80 -5.319 16.923 -1.694 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.525 17.147 -1.678 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.783 19.116 -2.084 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -3.128 20.747 -2.896 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.920 20.389 -1.165 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.816 19.670 -2.361 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.988 19.048 -4.426 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.724 17.888 -3.952 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.440 17.432 -3.831 1.00 0.44 H new ATOM 927 N SER A 81 -4.103 18.808 0.719 1.00 0.46 N ATOM 928 CA SER A 81 -3.938 19.409 2.031 1.00 0.55 C ATOM 929 C SER A 81 -3.517 18.350 3.044 1.00 0.53 C ATOM 930 O SER A 81 -2.713 18.615 3.940 1.00 0.59 O ATOM 931 CB SER A 81 -5.239 20.082 2.461 1.00 0.59 C ATOM 932 OG SER A 81 -5.641 21.051 1.508 1.00 1.03 O ATOM 0 H SER A 81 -5.060 18.822 0.367 1.00 0.46 H new ATOM 0 HA SER A 81 -3.155 20.166 1.982 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.021 19.332 2.576 1.00 0.59 H new ATOM 0 HB3 SER A 81 -5.105 20.555 3.434 1.00 0.59 H new ATOM 0 HG SER A 81 -5.946 20.601 0.693 1.00 1.03 H new ATOM 938 N TRP A 82 -4.099 17.160 2.913 1.00 0.46 N ATOM 939 CA TRP A 82 -3.652 16.016 3.692 1.00 0.47 C ATOM 940 C TRP A 82 -2.140 15.847 3.568 1.00 0.48 C ATOM 941 O TRP A 82 -1.429 15.788 4.573 1.00 0.52 O ATOM 942 CB TRP A 82 -4.363 14.729 3.261 1.00 0.46 C ATOM 943 CG TRP A 82 -3.545 13.506 3.541 1.00 0.42 C ATOM 944 CD1 TRP A 82 -2.947 12.703 2.616 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.194 12.973 4.825 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.251 11.703 3.243 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.390 11.843 4.596 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.483 13.337 6.145 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.870 11.077 5.629 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.964 12.572 7.173 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.164 11.452 6.908 1.00 0.43 C ATOM 0 H TRP A 82 -4.875 16.967 2.279 1.00 0.46 H new ATOM 0 HA TRP A 82 -3.906 16.207 4.735 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.317 14.652 3.782 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.585 14.779 2.195 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.012 12.835 1.546 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.715 10.972 2.776 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.099 14.198 6.356 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.254 10.213 5.428 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.178 12.842 8.197 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.772 10.874 7.732 1.00 0.43 H new ATOM 962 N GLN A 83 -1.657 15.784 2.331 1.00 0.49 N ATOM 963 CA GLN A 83 -0.239 15.615 2.069 1.00 0.55 C ATOM 964 C GLN A 83 0.560 16.759 2.693 1.00 0.60 C ATOM 965 O GLN A 83 1.621 16.531 3.275 1.00 0.61 O ATOM 966 CB GLN A 83 0.000 15.517 0.559 1.00 0.64 C ATOM 967 CG GLN A 83 1.447 15.265 0.173 1.00 0.84 C ATOM 968 CD GLN A 83 2.167 16.524 -0.265 1.00 1.04 C ATOM 969 OE1 GLN A 83 3.371 16.667 -0.064 1.00 1.48 O ATOM 970 NE2 GLN A 83 1.436 17.440 -0.884 1.00 0.98 N ATOM 0 H GLN A 83 -2.234 15.848 1.492 1.00 0.49 H new ATOM 0 HA GLN A 83 0.106 14.689 2.528 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.617 14.714 0.156 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.334 16.442 0.089 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.973 14.828 1.021 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.481 14.534 -0.634 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.439 17.283 -1.031 1.00 0.98 H new ATOM 0 HE22 GLN A 83 1.870 18.302 -1.213 1.00 0.98 H new ATOM 979 N GLU A 84 0.029 17.976 2.593 1.00 0.68 N ATOM 980 CA GLU A 84 0.651 19.141 3.224 1.00 0.78 C ATOM 981 C GLU A 84 0.832 18.913 4.723 1.00 0.82 C ATOM 982 O GLU A 84 1.944 18.997 5.245 1.00 0.95 O ATOM 983 CB GLU A 84 -0.200 20.398 3.020 1.00 0.86 C ATOM 984 CG GLU A 84 -0.365 20.826 1.574 1.00 0.94 C ATOM 985 CD GLU A 84 -1.143 22.121 1.457 1.00 1.25 C ATOM 986 OE1 GLU A 84 -0.518 23.203 1.549 1.00 1.47 O ATOM 987 OE2 GLU A 84 -2.380 22.071 1.296 1.00 1.61 O ATOM 0 H GLU A 84 -0.829 18.182 2.082 1.00 0.68 H new ATOM 0 HA GLU A 84 1.624 19.282 2.753 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.187 20.225 3.448 1.00 0.86 H new ATOM 0 HB3 GLU A 84 0.250 21.219 3.578 1.00 0.86 H new ATOM 0 HG2 GLU A 84 0.617 20.949 1.117 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -0.879 20.041 1.019 1.00 0.94 H new ATOM 994 N ARG A 85 -0.267 18.602 5.401 1.00 0.77 N ATOM 995 CA ARG A 85 -0.265 18.454 6.853 1.00 0.87 C ATOM 996 C ARG A 85 0.516 17.224 7.296 1.00 0.80 C ATOM 997 O ARG A 85 1.000 17.159 8.426 1.00 0.93 O ATOM 998 CB ARG A 85 -1.697 18.387 7.381 1.00 0.96 C ATOM 999 CG ARG A 85 -2.496 19.654 7.122 1.00 1.23 C ATOM 1000 CD ARG A 85 -3.906 19.556 7.681 1.00 1.45 C ATOM 1001 NE ARG A 85 -4.715 18.558 6.980 1.00 2.09 N ATOM 1002 CZ ARG A 85 -5.599 17.759 7.580 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -5.795 17.838 8.892 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -6.309 16.900 6.864 1.00 3.26 N ATOM 0 H ARG A 85 -1.176 18.447 4.966 1.00 0.77 H new ATOM 0 HA ARG A 85 0.232 19.329 7.271 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.208 17.543 6.918 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.672 18.195 8.454 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -1.985 20.505 7.573 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -2.542 19.842 6.049 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -3.857 19.302 8.740 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -4.391 20.529 7.609 1.00 1.45 H new ATOM 0 HE ARG A 85 -4.596 18.468 5.971 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -5.268 18.513 9.447 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -6.472 17.224 9.344 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -6.180 16.849 5.853 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -6.985 16.289 7.323 1.00 3.26 H new ATOM 1018 N ARG A 86 0.638 16.250 6.413 1.00 0.71 N ATOM 1019 CA ARG A 86 1.428 15.073 6.718 1.00 0.80 C ATOM 1020 C ARG A 86 2.907 15.416 6.633 1.00 0.75 C ATOM 1021 O ARG A 86 3.671 15.176 7.566 1.00 0.78 O ATOM 1022 CB ARG A 86 1.119 13.926 5.758 1.00 0.96 C ATOM 1023 CG ARG A 86 1.885 12.655 6.088 1.00 1.18 C ATOM 1024 CD ARG A 86 1.816 11.646 4.960 1.00 1.04 C ATOM 1025 NE ARG A 86 2.540 10.415 5.284 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.679 10.043 4.699 1.00 2.68 C ATOM 1027 NH1 ARG A 86 4.278 10.846 3.825 1.00 2.91 N ATOM 1028 NH2 ARG A 86 4.238 8.881 5.012 1.00 3.72 N ATOM 0 H ARG A 86 0.205 16.250 5.489 1.00 0.71 H new ATOM 0 HA ARG A 86 1.174 14.750 7.727 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.050 13.716 5.783 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.360 14.235 4.741 1.00 0.96 H new ATOM 0 HG2 ARG A 86 2.927 12.901 6.292 1.00 1.18 H new ATOM 0 HG3 ARG A 86 1.479 12.212 6.997 1.00 1.18 H new ATOM 0 HD2 ARG A 86 0.773 11.409 4.748 1.00 1.04 H new ATOM 0 HD3 ARG A 86 2.234 12.085 4.054 1.00 1.04 H new ATOM 0 HE ARG A 86 2.149 9.804 6.001 1.00 1.92 H new ATOM 0 HH11 ARG A 86 3.866 11.752 3.599 1.00 2.91 H new ATOM 0 HH12 ARG A 86 5.149 10.557 3.380 1.00 2.91 H new ATOM 0 HH21 ARG A 86 3.796 8.272 5.701 1.00 3.72 H new ATOM 0 HH22 ARG A 86 5.109 8.597 4.564 1.00 3.72 H new ATOM 1042 N MET A 87 3.300 15.989 5.505 1.00 0.77 N ATOM 1043 CA MET A 87 4.706 16.287 5.250 1.00 0.89 C ATOM 1044 C MET A 87 5.227 17.384 6.169 1.00 0.93 C ATOM 1045 O MET A 87 6.424 17.451 6.427 1.00 1.01 O ATOM 1046 CB MET A 87 4.929 16.675 3.787 1.00 1.11 C ATOM 1047 CG MET A 87 4.502 15.599 2.801 1.00 1.21 C ATOM 1048 SD MET A 87 5.211 13.977 3.170 1.00 1.69 S ATOM 1049 CE MET A 87 6.963 14.319 3.002 1.00 1.11 C ATOM 0 H MET A 87 2.668 16.258 4.751 1.00 0.77 H new ATOM 0 HA MET A 87 5.268 15.377 5.461 1.00 0.89 H new ATOM 0 HB2 MET A 87 4.377 17.591 3.574 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.985 16.897 3.635 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.415 15.523 2.804 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.798 15.898 1.795 1.00 1.21 H new ATOM 0 HE1 MET A 87 7.509 13.381 2.899 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.130 14.935 2.118 1.00 1.11 H new ATOM 0 HE3 MET A 87 7.317 14.849 3.886 1.00 1.11 H new ATOM 1059 N ALA A 88 4.334 18.245 6.653 1.00 0.97 N ATOM 1060 CA ALA A 88 4.701 19.282 7.618 1.00 1.13 C ATOM 1061 C ALA A 88 5.256 18.686 8.912 1.00 1.14 C ATOM 1062 O ALA A 88 6.032 19.331 9.618 1.00 1.29 O ATOM 1063 CB ALA A 88 3.500 20.166 7.925 1.00 1.32 C ATOM 0 H ALA A 88 3.348 18.246 6.392 1.00 0.97 H new ATOM 0 HA ALA A 88 5.489 19.885 7.166 1.00 1.13 H new ATOM 0 HB1 ALA A 88 3.787 20.933 8.644 1.00 1.32 H new ATOM 0 HB2 ALA A 88 3.154 20.641 7.007 1.00 1.32 H new ATOM 0 HB3 ALA A 88 2.698 19.558 8.344 1.00 1.32 H new ATOM 1069 N ALA A 89 4.855 17.456 9.223 1.00 1.05 N ATOM 1070 CA ALA A 89 5.352 16.771 10.411 1.00 1.18 C ATOM 1071 C ALA A 89 6.801 16.346 10.208 1.00 1.20 C ATOM 1072 O ALA A 89 7.553 16.158 11.164 1.00 1.45 O ATOM 1073 CB ALA A 89 4.482 15.564 10.728 1.00 1.25 C ATOM 0 H ALA A 89 4.190 16.915 8.670 1.00 1.05 H new ATOM 0 HA ALA A 89 5.308 17.459 11.255 1.00 1.18 H new ATOM 0 HB1 ALA A 89 4.865 15.063 11.617 1.00 1.25 H new ATOM 0 HB2 ALA A 89 3.458 15.891 10.909 1.00 1.25 H new ATOM 0 HB3 ALA A 89 4.499 14.872 9.886 1.00 1.25 H new ATOM 1079 N ALA A 90 7.179 16.198 8.948 1.00 1.01 N ATOM 1080 CA ALA A 90 8.544 15.877 8.576 1.00 1.10 C ATOM 1081 C ALA A 90 9.257 17.147 8.117 1.00 1.12 C ATOM 1082 O ALA A 90 8.624 18.193 7.976 1.00 1.00 O ATOM 1083 CB ALA A 90 8.540 14.824 7.472 1.00 1.05 C ATOM 0 H ALA A 90 6.545 16.298 8.155 1.00 1.01 H new ATOM 0 HA ALA A 90 9.078 15.471 9.435 1.00 1.10 H new ATOM 0 HB1 ALA A 90 9.566 14.584 7.194 1.00 1.05 H new ATOM 0 HB2 ALA A 90 8.041 13.923 7.830 1.00 1.05 H new ATOM 0 HB3 ALA A 90 8.009 15.211 6.602 1.00 1.05 H new ATOM 1089 N PRO A 91 10.583 17.105 7.921 1.00 1.40 N ATOM 1090 CA PRO A 91 11.301 18.218 7.299 1.00 1.57 C ATOM 1091 C PRO A 91 10.763 18.499 5.894 1.00 1.45 C ATOM 1092 O PRO A 91 10.688 17.597 5.062 1.00 1.42 O ATOM 1093 CB PRO A 91 12.754 17.728 7.237 1.00 1.91 C ATOM 1094 CG PRO A 91 12.844 16.656 8.268 1.00 1.96 C ATOM 1095 CD PRO A 91 11.488 16.010 8.310 1.00 1.67 C ATOM 0 HA PRO A 91 11.192 19.150 7.854 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.999 17.345 6.247 1.00 1.91 H new ATOM 0 HB3 PRO A 91 13.453 18.538 7.447 1.00 1.91 H new ATOM 0 HG2 PRO A 91 13.615 15.930 8.010 1.00 1.96 H new ATOM 0 HG3 PRO A 91 13.109 17.071 9.240 1.00 1.96 H new ATOM 0 HD2 PRO A 91 11.421 15.168 7.621 1.00 1.67 H new ATOM 0 HD3 PRO A 91 11.254 15.628 9.304 1.00 1.67 H new ATOM 1103 N PRO A 92 10.373 19.754 5.619 1.00 1.56 N ATOM 1104 CA PRO A 92 9.768 20.152 4.334 1.00 1.67 C ATOM 1105 C PRO A 92 10.668 19.874 3.129 1.00 1.87 C ATOM 1106 O PRO A 92 10.215 19.915 1.984 1.00 2.74 O ATOM 1107 CB PRO A 92 9.546 21.660 4.492 1.00 1.98 C ATOM 1108 CG PRO A 92 9.524 21.891 5.962 1.00 2.05 C ATOM 1109 CD PRO A 92 10.476 20.892 6.546 1.00 1.77 C ATOM 0 HA PRO A 92 8.859 19.585 4.135 1.00 1.67 H new ATOM 0 HB2 PRO A 92 10.344 22.229 4.014 1.00 1.98 H new ATOM 0 HB3 PRO A 92 8.610 21.972 4.029 1.00 1.98 H new ATOM 0 HG2 PRO A 92 9.829 22.909 6.203 1.00 2.05 H new ATOM 0 HG3 PRO A 92 8.520 21.756 6.364 1.00 2.05 H new ATOM 0 HD2 PRO A 92 11.492 21.283 6.593 1.00 1.77 H new ATOM 0 HD3 PRO A 92 10.195 20.612 7.561 1.00 1.77 H new ATOM 1117 N GLY A 93 11.941 19.604 3.391 1.00 1.48 N ATOM 1118 CA GLY A 93 12.871 19.299 2.324 1.00 1.64 C ATOM 1119 C GLY A 93 12.876 17.829 1.946 1.00 1.50 C ATOM 1120 O GLY A 93 13.533 17.436 0.985 1.00 1.68 O ATOM 0 H GLY A 93 12.346 19.591 4.327 1.00 1.48 H new ATOM 0 HA2 GLY A 93 12.617 19.894 1.447 1.00 1.64 H new ATOM 0 HA3 GLY A 93 13.875 19.594 2.629 1.00 1.64 H new ATOM 1124 N CYS A 94 12.143 17.016 2.696 1.00 1.28 N ATOM 1125 CA CYS A 94 12.079 15.583 2.425 1.00 1.27 C ATOM 1126 C CYS A 94 11.229 15.296 1.190 1.00 1.14 C ATOM 1127 O CYS A 94 10.317 16.055 0.855 1.00 1.17 O ATOM 1128 CB CYS A 94 11.515 14.838 3.637 1.00 1.33 C ATOM 1129 SG CYS A 94 12.593 14.875 5.088 1.00 2.34 S ATOM 0 H CYS A 94 11.586 17.321 3.494 1.00 1.28 H new ATOM 0 HA CYS A 94 13.092 15.230 2.231 1.00 1.27 H new ATOM 0 HB2 CYS A 94 10.551 15.273 3.902 1.00 1.33 H new ATOM 0 HB3 CYS A 94 11.331 13.800 3.360 1.00 1.33 H new ATOM 0 HG CYS A 94 12.268 13.909 5.895 1.00 2.34 H new ATOM 1135 N THR A 95 11.541 14.191 0.523 1.00 1.27 N ATOM 1136 CA THR A 95 10.848 13.803 -0.690 1.00 1.33 C ATOM 1137 C THR A 95 9.443 13.307 -0.370 1.00 0.96 C ATOM 1138 O THR A 95 9.273 12.323 0.358 1.00 0.86 O ATOM 1139 CB THR A 95 11.625 12.699 -1.432 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.998 13.092 -1.581 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.024 12.435 -2.803 1.00 2.23 C ATOM 0 H THR A 95 12.277 13.546 0.809 1.00 1.27 H new ATOM 0 HA THR A 95 10.779 14.682 -1.331 1.00 1.33 H new ATOM 0 HB THR A 95 11.562 11.783 -0.844 1.00 1.73 H new ATOM 0 HG1 THR A 95 13.491 12.388 -2.052 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.592 11.651 -3.305 1.00 2.23 H new ATOM 0 HG22 THR A 95 9.988 12.117 -2.691 1.00 2.23 H new ATOM 0 HG23 THR A 95 11.061 13.347 -3.398 1.00 2.23 H new ATOM 1149 N PRO A 96 8.422 13.994 -0.895 1.00 0.93 N ATOM 1150 CA PRO A 96 7.028 13.628 -0.666 1.00 0.76 C ATOM 1151 C PRO A 96 6.638 12.362 -1.422 1.00 0.61 C ATOM 1152 O PRO A 96 7.128 12.111 -2.526 1.00 0.71 O ATOM 1153 CB PRO A 96 6.255 14.836 -1.200 1.00 1.07 C ATOM 1154 CG PRO A 96 7.144 15.433 -2.231 1.00 1.30 C ATOM 1155 CD PRO A 96 8.549 15.183 -1.761 1.00 1.27 C ATOM 0 HA PRO A 96 6.825 13.408 0.382 1.00 0.76 H new ATOM 0 HB2 PRO A 96 5.299 14.535 -1.629 1.00 1.07 H new ATOM 0 HB3 PRO A 96 6.038 15.549 -0.405 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.972 14.977 -3.206 1.00 1.30 H new ATOM 0 HG3 PRO A 96 6.953 16.501 -2.340 1.00 1.30 H new ATOM 0 HD2 PRO A 96 9.224 14.999 -2.597 1.00 1.27 H new ATOM 0 HD3 PRO A 96 8.946 16.037 -1.213 1.00 1.27 H new ATOM 1163 N PRO A 97 5.765 11.540 -0.817 1.00 0.50 N ATOM 1164 CA PRO A 97 5.213 10.339 -1.456 1.00 0.46 C ATOM 1165 C PRO A 97 4.391 10.672 -2.693 1.00 0.45 C ATOM 1166 O PRO A 97 4.287 11.832 -3.095 1.00 0.68 O ATOM 1167 CB PRO A 97 4.294 9.760 -0.376 1.00 0.59 C ATOM 1168 CG PRO A 97 3.972 10.918 0.493 1.00 0.69 C ATOM 1169 CD PRO A 97 5.238 11.712 0.546 1.00 0.64 C ATOM 0 HA PRO A 97 5.998 9.662 -1.793 1.00 0.46 H new ATOM 0 HB2 PRO A 97 3.393 9.327 -0.811 1.00 0.59 H new ATOM 0 HB3 PRO A 97 4.790 8.968 0.185 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.152 11.506 0.082 1.00 0.69 H new ATOM 0 HG3 PRO A 97 3.665 10.594 1.487 1.00 0.69 H new ATOM 0 HD2 PRO A 97 5.053 12.760 0.782 1.00 0.64 H new ATOM 0 HD3 PRO A 97 5.927 11.332 1.301 1.00 0.64 H new ATOM 1177 N ALA A 98 3.775 9.661 -3.272 1.00 0.44 N ATOM 1178 CA ALA A 98 2.944 9.855 -4.442 1.00 0.44 C ATOM 1179 C ALA A 98 1.509 10.086 -4.007 1.00 0.38 C ATOM 1180 O ALA A 98 0.950 9.284 -3.256 1.00 0.39 O ATOM 1181 CB ALA A 98 3.033 8.650 -5.365 1.00 0.54 C ATOM 0 H ALA A 98 3.835 8.695 -2.950 1.00 0.44 H new ATOM 0 HA ALA A 98 3.297 10.728 -4.992 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.402 8.814 -6.239 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.066 8.512 -5.684 1.00 0.54 H new ATOM 0 HB3 ALA A 98 2.695 7.760 -4.835 1.00 0.54 H new ATOM 1187 N LEU A 99 0.931 11.184 -4.453 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.434 11.520 -4.095 1.00 0.44 C ATOM 1189 C LEU A 99 -1.384 11.049 -5.192 1.00 0.44 C ATOM 1190 O LEU A 99 -1.271 11.463 -6.343 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.551 13.031 -3.870 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.661 13.487 -2.919 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.555 12.770 -1.580 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.581 14.991 -2.722 1.00 0.46 C ATOM 0 H LEU A 99 1.386 11.861 -5.066 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.708 11.016 -3.168 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.402 13.395 -3.485 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.709 13.510 -4.836 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.625 13.235 -3.361 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.354 13.110 -0.921 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.645 11.695 -1.735 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.590 12.991 -1.124 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.372 15.312 -2.045 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.612 15.251 -2.297 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.701 15.491 -3.683 1.00 0.46 H new ATOM 1206 N LEU A 100 -2.313 10.181 -4.819 1.00 0.44 N ATOM 1207 CA LEU A 100 -3.265 9.602 -5.764 1.00 0.39 C ATOM 1208 C LEU A 100 -4.450 8.996 -5.026 1.00 0.44 C ATOM 1209 O LEU A 100 -4.557 9.116 -3.804 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.638 8.569 -6.751 1.00 0.53 C ATOM 1211 CG LEU A 100 -1.551 7.589 -6.255 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -0.180 8.229 -6.304 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -1.830 7.061 -4.861 1.00 0.98 C ATOM 0 H LEU A 100 -2.430 9.858 -3.859 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.607 10.429 -6.386 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -3.454 7.970 -7.156 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -2.213 9.131 -7.582 1.00 0.53 H new ATOM 0 HG LEU A 100 -1.573 6.737 -6.935 1.00 0.54 H new ATOM 0 HD11 LEU A 100 0.566 7.518 -5.950 1.00 0.79 H new ATOM 0 HD12 LEU A 100 0.051 8.517 -7.330 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -0.169 9.114 -5.668 1.00 0.79 H new ATOM 0 HD21 LEU A 100 -1.034 6.378 -4.565 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -1.874 7.893 -4.159 1.00 0.98 H new ATOM 0 HD23 LEU A 100 -2.783 6.532 -4.856 1.00 0.98 H new ATOM 1225 N ASP A 101 -5.334 8.344 -5.761 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.557 7.809 -5.191 1.00 0.44 C ATOM 1227 C ASP A 101 -6.448 6.297 -5.065 1.00 0.40 C ATOM 1228 O ASP A 101 -5.552 5.681 -5.654 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.758 8.185 -6.067 1.00 0.52 C ATOM 1230 CG ASP A 101 -7.742 7.511 -7.430 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -6.725 7.633 -8.144 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -8.738 6.846 -7.791 1.00 1.92 O ATOM 0 H ASP A 101 -5.226 8.172 -6.761 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.704 8.237 -4.199 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -8.677 7.915 -5.547 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.775 9.266 -6.204 1.00 0.52 H new ATOM 1237 N ILE A 102 -7.332 5.713 -4.255 1.00 0.46 N ATOM 1238 CA ILE A 102 -7.389 4.260 -4.048 1.00 0.42 C ATOM 1239 C ILE A 102 -7.797 3.498 -5.325 1.00 0.46 C ATOM 1240 O ILE A 102 -8.742 2.710 -5.345 1.00 0.77 O ATOM 1241 CB ILE A 102 -8.330 3.914 -2.864 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -8.325 2.412 -2.558 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.740 4.400 -3.139 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -7.005 1.902 -2.034 1.00 0.44 C ATOM 0 H ILE A 102 -8.030 6.232 -3.722 1.00 0.46 H new ATOM 0 HA ILE A 102 -6.380 3.930 -3.798 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.951 4.431 -1.982 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -9.103 2.197 -1.826 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -8.581 1.865 -3.465 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -10.383 4.147 -2.296 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.732 5.481 -3.277 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -10.120 3.922 -4.042 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -7.079 0.832 -1.841 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -6.225 2.084 -2.774 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.756 2.421 -1.109 1.00 0.44 H new ATOM 1256 N SER A 103 -7.051 3.733 -6.385 1.00 0.42 N ATOM 1257 CA SER A 103 -7.233 3.002 -7.628 1.00 0.51 C ATOM 1258 C SER A 103 -5.887 2.497 -8.122 1.00 0.48 C ATOM 1259 O SER A 103 -5.804 1.446 -8.751 1.00 0.58 O ATOM 1260 CB SER A 103 -7.894 3.881 -8.688 1.00 0.66 C ATOM 1261 OG SER A 103 -8.184 3.138 -9.865 1.00 1.46 O ATOM 0 H SER A 103 -6.307 4.430 -6.413 1.00 0.42 H new ATOM 0 HA SER A 103 -7.891 2.153 -7.442 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.814 4.308 -8.288 1.00 0.66 H new ATOM 0 HB3 SER A 103 -7.237 4.715 -8.934 1.00 0.66 H new ATOM 0 HG SER A 103 -7.347 2.887 -10.308 1.00 1.46 H new ATOM 1267 N TRP A 104 -4.827 3.252 -7.823 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.471 2.807 -8.124 1.00 0.36 C ATOM 1269 C TRP A 104 -3.209 1.468 -7.451 1.00 0.34 C ATOM 1270 O TRP A 104 -2.612 0.569 -8.036 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.426 3.836 -7.649 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.059 3.233 -7.437 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.091 3.020 -8.377 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.525 2.740 -6.198 1.00 0.31 C ATOM 1275 NE1 TRP A 104 1.004 2.416 -7.800 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.760 2.235 -6.466 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.013 2.674 -4.889 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.562 1.671 -5.478 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.214 2.117 -3.907 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.060 1.618 -4.209 1.00 0.32 C ATOM 0 H TRP A 104 -4.884 4.167 -7.376 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.381 2.703 -9.205 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.353 4.638 -8.384 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.766 4.288 -6.717 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.172 3.286 -9.420 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.858 2.147 -8.288 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.996 3.051 -4.649 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.546 1.289 -5.707 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.578 2.066 -2.891 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.657 1.182 -3.422 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.708 1.339 -6.231 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.372 0.203 -5.395 1.00 0.32 C ATOM 1293 C LEU A 105 -4.068 -1.057 -5.881 1.00 0.31 C ATOM 1294 O LEU A 105 -3.433 -2.089 -6.021 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.718 0.481 -3.931 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.308 -0.617 -2.946 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.816 -0.908 -3.038 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.681 -0.215 -1.533 1.00 0.35 C ATOM 0 H LEU A 105 -4.346 2.008 -5.801 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.296 0.043 -5.466 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.239 1.413 -3.632 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.794 0.635 -3.851 1.00 0.33 H new ATOM 0 HG LEU A 105 -3.845 -1.529 -3.209 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.554 -1.692 -2.327 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.571 -1.237 -4.048 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.254 -0.004 -2.805 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.385 -1.003 -0.840 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -3.168 0.710 -1.271 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.759 -0.063 -1.470 1.00 0.35 H new ATOM 1310 N THR A 106 -5.360 -0.963 -6.169 1.00 0.35 N ATOM 1311 CA THR A 106 -6.128 -2.125 -6.596 1.00 0.37 C ATOM 1312 C THR A 106 -5.558 -2.720 -7.885 1.00 0.36 C ATOM 1313 O THR A 106 -5.324 -3.925 -7.976 1.00 0.47 O ATOM 1314 CB THR A 106 -7.609 -1.756 -6.786 1.00 0.47 C ATOM 1315 OG1 THR A 106 -7.708 -0.468 -7.409 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.336 -1.742 -5.447 1.00 0.59 C ATOM 0 H THR A 106 -5.896 -0.097 -6.115 1.00 0.35 H new ATOM 0 HA THR A 106 -6.055 -2.880 -5.813 1.00 0.37 H new ATOM 0 HB THR A 106 -8.077 -2.506 -7.424 1.00 0.47 H new ATOM 0 HG1 THR A 106 -8.652 -0.235 -7.531 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.382 -1.479 -5.604 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.275 -2.729 -4.989 1.00 0.59 H new ATOM 0 HG23 THR A 106 -7.872 -1.008 -4.789 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.353 -1.867 -8.883 1.00 0.38 N ATOM 1325 CA GLU A 107 -4.663 -2.254 -10.110 1.00 0.39 C ATOM 1326 C GLU A 107 -3.285 -2.865 -9.808 1.00 0.33 C ATOM 1327 O GLU A 107 -2.958 -3.945 -10.306 1.00 0.43 O ATOM 1328 CB GLU A 107 -4.542 -1.027 -11.022 1.00 0.46 C ATOM 1329 CG GLU A 107 -5.898 -0.447 -11.416 1.00 0.53 C ATOM 1330 CD GLU A 107 -5.809 0.929 -12.051 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -5.054 1.093 -13.028 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.514 1.857 -11.584 1.00 1.51 O ATOM 0 H GLU A 107 -5.658 -0.894 -8.866 1.00 0.38 H new ATOM 0 HA GLU A 107 -5.242 -3.024 -10.620 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -3.957 -0.260 -10.515 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -3.994 -1.302 -11.923 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -6.387 -1.128 -12.112 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -6.530 -0.389 -10.530 1.00 0.53 H new ATOM 1339 N SER A 108 -2.485 -2.154 -9.017 1.00 0.35 N ATOM 1340 CA SER A 108 -1.198 -2.682 -8.545 1.00 0.36 C ATOM 1341 C SER A 108 -1.358 -4.084 -7.938 1.00 0.38 C ATOM 1342 O SER A 108 -0.571 -4.982 -8.237 1.00 0.46 O ATOM 1343 CB SER A 108 -0.545 -1.734 -7.535 1.00 0.45 C ATOM 1344 OG SER A 108 -0.186 -0.509 -8.148 1.00 0.88 O ATOM 0 H SER A 108 -2.700 -1.213 -8.688 1.00 0.35 H new ATOM 0 HA SER A 108 -0.543 -2.760 -9.413 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.233 -1.545 -6.711 1.00 0.45 H new ATOM 0 HB3 SER A 108 0.341 -2.205 -7.109 1.00 0.45 H new ATOM 0 HG SER A 108 -0.934 0.121 -8.083 1.00 0.88 H new ATOM 1350 N LEU A 109 -2.376 -4.263 -7.094 1.00 0.36 N ATOM 1351 CA LEU A 109 -2.693 -5.574 -6.527 1.00 0.43 C ATOM 1352 C LEU A 109 -2.919 -6.609 -7.622 1.00 0.52 C ATOM 1353 O LEU A 109 -2.338 -7.695 -7.594 1.00 0.75 O ATOM 1354 CB LEU A 109 -3.938 -5.503 -5.645 1.00 0.40 C ATOM 1355 CG LEU A 109 -3.677 -5.365 -4.145 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -3.353 -3.940 -3.769 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -4.874 -5.863 -3.372 1.00 0.86 C ATOM 0 H LEU A 109 -2.996 -3.514 -6.788 1.00 0.36 H new ATOM 0 HA LEU A 109 -1.838 -5.875 -5.922 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -4.544 -4.657 -5.970 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.531 -6.402 -5.811 1.00 0.40 H new ATOM 0 HG LEU A 109 -2.809 -5.973 -3.890 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -3.173 -3.879 -2.696 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -2.461 -3.616 -4.305 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -4.190 -3.294 -4.034 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -4.684 -5.763 -2.303 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -5.751 -5.275 -3.641 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -5.052 -6.911 -3.612 1.00 0.86 H new ATOM 1369 N GLY A 110 -3.765 -6.263 -8.583 1.00 0.48 N ATOM 1370 CA GLY A 110 -4.087 -7.173 -9.663 1.00 0.62 C ATOM 1371 C GLY A 110 -2.872 -7.536 -10.496 1.00 0.67 C ATOM 1372 O GLY A 110 -2.603 -8.713 -10.728 1.00 0.96 O ATOM 0 H GLY A 110 -4.237 -5.360 -8.633 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -4.526 -8.082 -9.250 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -4.841 -6.718 -10.305 1.00 0.62 H new ATOM 1376 N ALA A 111 -2.146 -6.527 -10.953 1.00 0.47 N ATOM 1377 CA ALA A 111 -0.943 -6.747 -11.750 1.00 0.53 C ATOM 1378 C ALA A 111 0.139 -7.483 -10.961 1.00 0.59 C ATOM 1379 O ALA A 111 0.964 -8.196 -11.535 1.00 0.71 O ATOM 1380 CB ALA A 111 -0.408 -5.424 -12.275 1.00 0.48 C ATOM 0 H ALA A 111 -2.367 -5.545 -10.787 1.00 0.47 H new ATOM 0 HA ALA A 111 -1.220 -7.380 -12.593 1.00 0.53 H new ATOM 0 HB1 ALA A 111 0.489 -5.604 -12.867 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -1.165 -4.947 -12.898 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -0.164 -4.772 -11.436 1.00 0.48 H new ATOM 1386 N GLY A 112 0.128 -7.306 -9.642 1.00 0.53 N ATOM 1387 CA GLY A 112 1.109 -7.953 -8.791 1.00 0.60 C ATOM 1388 C GLY A 112 2.431 -7.223 -8.803 1.00 0.58 C ATOM 1389 O GLY A 112 3.475 -7.789 -8.470 1.00 0.66 O ATOM 0 H GLY A 112 -0.547 -6.723 -9.147 1.00 0.53 H new ATOM 0 HA2 GLY A 112 0.730 -8.001 -7.770 1.00 0.60 H new ATOM 0 HA3 GLY A 112 1.258 -8.980 -9.124 1.00 0.60 H new ATOM 1393 N GLN A 113 2.381 -5.958 -9.188 1.00 0.52 N ATOM 1394 CA GLN A 113 3.572 -5.137 -9.309 1.00 0.54 C ATOM 1395 C GLN A 113 3.193 -3.669 -9.173 1.00 0.50 C ATOM 1396 O GLN A 113 2.088 -3.274 -9.549 1.00 0.48 O ATOM 1397 CB GLN A 113 4.258 -5.378 -10.661 1.00 0.60 C ATOM 1398 CG GLN A 113 3.367 -5.094 -11.861 1.00 0.61 C ATOM 1399 CD GLN A 113 4.087 -5.263 -13.181 1.00 0.81 C ATOM 1400 OE1 GLN A 113 4.116 -6.353 -13.752 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.667 -4.183 -13.682 1.00 0.87 N ATOM 0 H GLN A 113 1.515 -5.473 -9.425 1.00 0.52 H new ATOM 0 HA GLN A 113 4.269 -5.408 -8.516 1.00 0.54 H new ATOM 0 HB2 GLN A 113 5.147 -4.750 -10.724 1.00 0.60 H new ATOM 0 HB3 GLN A 113 4.595 -6.414 -10.707 1.00 0.60 H new ATOM 0 HG2 GLN A 113 2.506 -5.762 -11.834 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.983 -4.076 -11.790 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.620 -3.298 -13.177 1.00 0.87 H new ATOM 0 HE22 GLN A 113 5.161 -4.236 -14.573 1.00 0.87 H new ATOM 1410 N PRO A 114 4.094 -2.846 -8.617 1.00 0.53 N ATOM 1411 CA PRO A 114 3.863 -1.410 -8.462 1.00 0.52 C ATOM 1412 C PRO A 114 3.819 -0.705 -9.811 1.00 0.54 C ATOM 1413 O PRO A 114 4.860 -0.424 -10.407 1.00 0.62 O ATOM 1414 CB PRO A 114 5.064 -0.920 -7.643 1.00 0.57 C ATOM 1415 CG PRO A 114 5.737 -2.149 -7.130 1.00 0.68 C ATOM 1416 CD PRO A 114 5.407 -3.247 -8.096 1.00 0.60 C ATOM 0 HA PRO A 114 2.907 -1.201 -7.982 1.00 0.52 H new ATOM 0 HB2 PRO A 114 5.743 -0.331 -8.259 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.742 -0.279 -6.822 1.00 0.57 H new ATOM 0 HG2 PRO A 114 6.815 -2.002 -7.063 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.385 -2.395 -6.128 1.00 0.68 H new ATOM 0 HD2 PRO A 114 6.150 -3.323 -8.890 1.00 0.60 H new ATOM 0 HD3 PRO A 114 5.366 -4.219 -7.604 1.00 0.60 H new ATOM 1424 N VAL A 115 2.617 -0.436 -10.293 1.00 0.51 N ATOM 1425 CA VAL A 115 2.445 0.201 -11.588 1.00 0.53 C ATOM 1426 C VAL A 115 2.812 1.682 -11.524 1.00 0.49 C ATOM 1427 O VAL A 115 2.578 2.352 -10.511 1.00 0.45 O ATOM 1428 CB VAL A 115 1.000 0.049 -12.117 1.00 0.54 C ATOM 1429 CG1 VAL A 115 0.660 -1.419 -12.324 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.005 0.700 -11.177 1.00 0.47 C ATOM 0 H VAL A 115 1.746 -0.649 -9.807 1.00 0.51 H new ATOM 0 HA VAL A 115 3.119 -0.306 -12.279 1.00 0.53 H new ATOM 0 HB VAL A 115 0.941 0.561 -13.077 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -0.361 -1.507 -12.696 1.00 0.65 H new ATOM 0 HG12 VAL A 115 1.349 -1.854 -13.048 1.00 0.65 H new ATOM 0 HG13 VAL A 115 0.747 -1.950 -11.376 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.011 0.576 -11.577 1.00 0.47 H new ATOM 0 HG22 VAL A 115 0.056 0.229 -10.196 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.220 1.763 -11.084 1.00 0.47 H new ATOM 1440 N PRO A 116 3.435 2.199 -12.595 1.00 0.56 N ATOM 1441 CA PRO A 116 3.746 3.624 -12.718 1.00 0.58 C ATOM 1442 C PRO A 116 2.471 4.459 -12.759 1.00 0.48 C ATOM 1443 O PRO A 116 1.695 4.380 -13.714 1.00 0.55 O ATOM 1444 CB PRO A 116 4.507 3.722 -14.046 1.00 0.72 C ATOM 1445 CG PRO A 116 4.131 2.492 -14.801 1.00 0.85 C ATOM 1446 CD PRO A 116 3.889 1.431 -13.766 1.00 0.69 C ATOM 0 HA PRO A 116 4.323 4.002 -11.874 1.00 0.58 H new ATOM 0 HB2 PRO A 116 4.228 4.622 -14.594 1.00 0.72 H new ATOM 0 HB3 PRO A 116 5.583 3.770 -13.881 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.238 2.661 -15.403 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.926 2.196 -15.486 1.00 0.85 H new ATOM 0 HD2 PRO A 116 3.136 0.714 -14.093 1.00 0.69 H new ATOM 0 HD3 PRO A 116 4.795 0.866 -13.550 1.00 0.69 H new ATOM 1454 N VAL A 117 2.255 5.238 -11.711 1.00 0.46 N ATOM 1455 CA VAL A 117 1.012 5.970 -11.549 1.00 0.44 C ATOM 1456 C VAL A 117 0.907 7.135 -12.535 1.00 0.49 C ATOM 1457 O VAL A 117 1.720 8.058 -12.528 1.00 0.61 O ATOM 1458 CB VAL A 117 0.836 6.474 -10.094 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.023 7.319 -9.647 1.00 0.99 C ATOM 1460 CG2 VAL A 117 -0.463 7.251 -9.943 1.00 1.25 C ATOM 0 H VAL A 117 2.928 5.379 -10.958 1.00 0.46 H new ATOM 0 HA VAL A 117 0.204 5.272 -11.768 1.00 0.44 H new ATOM 0 HB VAL A 117 0.790 5.598 -9.447 1.00 0.58 H new ATOM 0 HG11 VAL A 117 1.865 7.655 -8.622 1.00 0.99 H new ATOM 0 HG12 VAL A 117 2.934 6.722 -9.697 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.120 8.185 -10.302 1.00 0.99 H new ATOM 0 HG21 VAL A 117 -0.564 7.594 -8.913 1.00 1.25 H new ATOM 0 HG22 VAL A 117 -0.453 8.111 -10.613 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -1.304 6.605 -10.194 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.088 7.059 -13.404 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.383 8.139 -14.331 1.00 0.70 C ATOM 1472 C GLU A 118 -1.135 9.260 -13.624 1.00 0.71 C ATOM 1473 O GLU A 118 -1.806 9.029 -12.612 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.219 7.620 -15.500 1.00 0.84 C ATOM 1475 CG GLU A 118 -0.454 6.703 -16.436 1.00 1.34 C ATOM 1476 CD GLU A 118 0.769 7.376 -17.022 1.00 1.95 C ATOM 1477 OE1 GLU A 118 0.615 8.426 -17.683 1.00 2.31 O ATOM 1478 OE2 GLU A 118 1.891 6.877 -16.805 1.00 2.63 O ATOM 0 H GLU A 118 -0.709 6.254 -13.487 1.00 0.57 H new ATOM 0 HA GLU A 118 0.561 8.530 -14.710 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.084 7.085 -15.108 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.600 8.469 -16.068 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.150 5.807 -15.895 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -1.111 6.380 -17.244 1.00 1.34 H new ATOM 1485 N CYS A 119 -1.031 10.462 -14.187 1.00 0.84 N ATOM 1486 CA CYS A 119 -1.671 11.660 -13.646 1.00 0.88 C ATOM 1487 C CYS A 119 -3.182 11.471 -13.491 1.00 0.79 C ATOM 1488 O CYS A 119 -3.826 12.173 -12.712 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.379 12.854 -14.556 1.00 1.11 C ATOM 1490 SG CYS A 119 -1.920 12.637 -16.272 1.00 2.07 S ATOM 0 H CYS A 119 -0.496 10.634 -15.038 1.00 0.84 H new ATOM 0 HA CYS A 119 -1.259 11.846 -12.654 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.866 13.738 -14.143 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -0.306 13.048 -14.548 1.00 1.11 H new ATOM 0 HG CYS A 119 -1.629 13.703 -16.957 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.728 10.522 -14.241 1.00 0.82 N ATOM 1497 CA ARG A 120 -5.142 10.176 -14.165 1.00 0.82 C ATOM 1498 C ARG A 120 -5.520 9.726 -12.748 1.00 0.68 C ATOM 1499 O ARG A 120 -6.632 9.963 -12.282 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.439 9.072 -15.184 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.914 8.815 -15.423 1.00 1.58 C ATOM 1502 CD ARG A 120 -7.116 7.824 -16.558 1.00 2.22 C ATOM 1503 NE ARG A 120 -6.533 8.307 -17.812 1.00 2.86 N ATOM 1504 CZ ARG A 120 -5.666 7.616 -18.552 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -5.278 6.404 -18.169 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -5.184 8.144 -19.671 1.00 4.59 N ATOM 0 H ARG A 120 -3.203 9.970 -14.919 1.00 0.82 H new ATOM 0 HA ARG A 120 -5.742 11.056 -14.398 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -4.971 9.336 -16.133 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -4.973 8.147 -14.845 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -7.372 8.429 -14.512 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -7.417 9.753 -15.660 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -6.664 6.869 -16.291 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -8.182 7.644 -16.698 1.00 2.22 H new ATOM 0 HE ARG A 120 -6.808 9.233 -18.140 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -5.644 6.000 -17.307 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -4.614 5.878 -18.737 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -5.477 9.076 -19.963 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -4.520 7.617 -20.239 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.579 9.079 -12.063 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.773 8.681 -10.669 1.00 0.56 C ATOM 1522 C HIS A 121 -4.141 9.720 -9.752 1.00 0.50 C ATOM 1523 O HIS A 121 -4.596 9.954 -8.639 1.00 0.63 O ATOM 1524 CB HIS A 121 -4.129 7.318 -10.388 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.725 6.174 -11.144 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -4.145 5.644 -12.274 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -5.825 5.429 -10.903 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -4.865 4.620 -12.692 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.889 4.462 -11.877 1.00 1.22 N ATOM 0 H HIS A 121 -3.672 8.818 -12.451 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.845 8.609 -10.483 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -3.067 7.378 -10.626 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.206 7.109 -9.321 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -6.526 5.568 -10.093 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -4.651 4.012 -13.558 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -6.608 3.743 -11.956 1.00 1.22 H new ATOM 1538 N ARG A 122 -3.095 10.349 -10.260 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.288 11.312 -9.513 1.00 0.50 C ATOM 1540 C ARG A 122 -2.924 12.709 -9.539 1.00 0.62 C ATOM 1541 O ARG A 122 -2.220 13.713 -9.595 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.880 11.369 -10.105 1.00 0.64 C ATOM 1543 CG ARG A 122 0.218 11.524 -9.068 1.00 0.75 C ATOM 1544 CD ARG A 122 1.390 12.294 -9.636 1.00 0.95 C ATOM 1545 NE ARG A 122 1.009 13.668 -9.937 1.00 1.67 N ATOM 1546 CZ ARG A 122 1.147 14.244 -11.124 1.00 2.32 C ATOM 1547 NH1 ARG A 122 1.669 13.571 -12.142 1.00 2.38 N ATOM 1548 NH2 ARG A 122 0.754 15.497 -11.289 1.00 3.30 N ATOM 0 H ARG A 122 -2.774 10.206 -11.217 1.00 0.49 H new ATOM 0 HA ARG A 122 -2.237 10.985 -8.475 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.700 10.459 -10.677 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.825 12.202 -10.806 1.00 0.64 H new ATOM 0 HG2 ARG A 122 -0.173 12.042 -8.193 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.550 10.541 -8.734 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.215 12.288 -8.923 1.00 0.95 H new ATOM 0 HD3 ARG A 122 1.748 11.804 -10.542 1.00 0.95 H new ATOM 0 HE ARG A 122 0.608 14.226 -9.183 1.00 1.67 H new ATOM 0 HH11 ARG A 122 1.967 12.604 -12.015 1.00 2.38 H new ATOM 0 HH12 ARG A 122 1.772 14.021 -13.052 1.00 2.38 H new ATOM 0 HH21 ARG A 122 0.349 16.012 -10.507 1.00 3.30 H new ATOM 0 HH22 ARG A 122 0.856 15.948 -12.198 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.256 12.744 -9.570 1.00 0.57 N ATOM 1563 CA LEU A 123 -5.051 13.964 -9.819 1.00 0.82 C ATOM 1564 C LEU A 123 -4.868 15.096 -8.786 1.00 0.73 C ATOM 1565 O LEU A 123 -5.755 15.938 -8.658 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.547 13.602 -9.860 1.00 1.23 C ATOM 1567 CG LEU A 123 -7.218 13.322 -8.494 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.728 13.268 -8.645 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.719 12.021 -7.879 1.00 1.47 C ATOM 0 H LEU A 123 -4.831 11.915 -9.421 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.682 14.348 -10.770 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -7.084 14.417 -10.345 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.669 12.721 -10.489 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.949 14.140 -7.826 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -9.184 13.070 -7.675 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -9.090 14.222 -9.028 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.996 12.473 -9.341 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -7.213 11.859 -6.921 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.945 11.192 -8.549 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.641 12.081 -7.726 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.746 15.147 -8.080 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.561 16.145 -7.031 1.00 0.63 C ATOM 1583 C GLU A 124 -3.533 17.560 -7.619 1.00 0.79 C ATOM 1584 O GLU A 124 -2.940 17.755 -8.694 1.00 1.47 O ATOM 1585 CB GLU A 124 -2.294 15.863 -6.196 1.00 0.93 C ATOM 1586 CG GLU A 124 -1.007 16.514 -6.695 1.00 1.70 C ATOM 1587 CD GLU A 124 -0.335 15.769 -7.832 1.00 2.39 C ATOM 1588 OE1 GLU A 124 0.337 14.750 -7.565 1.00 2.69 O ATOM 1589 OE2 GLU A 124 -0.431 16.220 -8.992 1.00 3.01 O ATOM 1590 OXT GLU A 124 -4.110 18.478 -6.998 1.00 1.11 O ATOM 0 H GLU A 124 -2.956 14.516 -8.212 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.416 16.077 -6.358 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -2.474 16.197 -5.174 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.141 14.785 -6.157 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -1.230 17.530 -7.022 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.307 16.593 -5.863 1.00 1.70 H new