USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0.00369 USER MOD Set 1.2: A 90 SER OG : rot 80:sc= 0.00309 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.04) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 1.46 (180deg=-0.0636) USER MOD Single : A 39 CYS SG : rot 29:sc= 0.389 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= -0.378 (180deg=-1.54!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0455) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -57:sc= 0.022 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.52! X(o=-2.5!,f=-2.6) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.109 (180deg=-0.539) USER MOD Single : A 81 HIS : no HE2:sc= -2.99 K(o=-3,f=-2.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.4! C(o=-2.4!,f=-4.7!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 104 MET CE :methyl -173:sc= -0.965 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.779 -1.204 12.980 1.00 0.00 N ATOM 105 CA VAL A 11 -0.706 -1.960 11.736 1.00 0.00 C ATOM 106 C VAL A 11 -2.079 -2.079 11.083 1.00 0.00 C ATOM 107 O VAL A 11 -3.082 -2.312 11.758 1.00 0.00 O ATOM 108 CB VAL A 11 -0.137 -3.372 11.970 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.068 -4.144 10.661 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.233 -3.292 12.624 1.00 0.00 C ATOM 0 HA VAL A 11 -0.038 -1.412 11.072 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.806 -3.907 12.644 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.336 -5.139 10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.068 -4.232 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.578 -3.615 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.620 -4.299 12.782 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.914 -2.739 11.977 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.149 -2.781 13.583 1.00 0.00 H new ATOM 120 N THR A 12 -2.117 -1.917 9.764 1.00 0.00 N ATOM 121 CA THR A 12 -3.367 -2.005 9.019 1.00 0.00 C ATOM 122 C THR A 12 -3.708 -3.453 8.688 1.00 0.00 C ATOM 123 O THR A 12 -4.791 -3.938 9.017 1.00 0.00 O ATOM 124 CB THR A 12 -3.300 -1.193 7.712 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.817 0.128 7.980 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.669 -1.114 7.053 1.00 0.00 C ATOM 0 H THR A 12 -1.296 -1.724 9.190 1.00 0.00 H new ATOM 0 HA THR A 12 -4.146 -1.588 9.657 1.00 0.00 H new ATOM 0 HB THR A 12 -2.615 -1.698 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.776 0.637 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.597 -0.536 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.021 -2.120 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.372 -0.630 7.731 1.00 0.00 H new ATOM 134 N LYS A 13 -2.778 -4.141 8.034 1.00 0.00 N ATOM 135 CA LYS A 13 -2.979 -5.536 7.659 1.00 0.00 C ATOM 136 C LYS A 13 -1.654 -6.293 7.651 1.00 0.00 C ATOM 137 O LYS A 13 -0.602 -5.719 7.372 1.00 0.00 O ATOM 138 CB LYS A 13 -3.638 -5.625 6.281 1.00 0.00 C ATOM 139 CG LYS A 13 -4.070 -7.031 5.904 1.00 0.00 C ATOM 140 CD LYS A 13 -5.069 -7.019 4.759 1.00 0.00 C ATOM 141 CE LYS A 13 -5.451 -8.429 4.337 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.601 -8.952 5.127 1.00 0.00 N ATOM 0 H LYS A 13 -1.877 -3.755 7.752 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.635 -5.995 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.508 -4.969 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.941 -5.254 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.196 -7.617 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.514 -7.521 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.963 -6.474 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.643 -6.487 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.706 -8.434 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.594 -9.090 4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.896 -9.872 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.316 -9.067 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.395 -8.282 5.070 1.00 0.00 H new ATOM 156 N ALA A 14 -1.715 -7.585 7.958 1.00 0.00 N ATOM 157 CA ALA A 14 -0.521 -8.421 7.982 1.00 0.00 C ATOM 158 C ALA A 14 -0.874 -9.888 7.764 1.00 0.00 C ATOM 159 O ALA A 14 -1.818 -10.405 8.360 1.00 0.00 O ATOM 160 CB ALA A 14 0.221 -8.244 9.298 1.00 0.00 C ATOM 0 H ALA A 14 -2.578 -8.075 8.193 1.00 0.00 H new ATOM 0 HA ALA A 14 0.130 -8.106 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.110 -8.874 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.515 -7.201 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.430 -8.530 10.124 1.00 0.00 H new ATOM 166 N GLY A 15 -0.109 -10.555 6.905 1.00 0.00 N ATOM 167 CA GLY A 15 -0.358 -11.957 6.624 1.00 0.00 C ATOM 168 C GLY A 15 0.672 -12.552 5.684 1.00 0.00 C ATOM 169 O GLY A 15 1.407 -11.823 5.017 1.00 0.00 O ATOM 0 H GLY A 15 0.678 -10.150 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.358 -12.517 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.350 -12.066 6.187 1.00 0.00 H new ATOM 173 N TRP A 16 0.728 -13.877 5.632 1.00 0.00 N ATOM 174 CA TRP A 16 1.677 -14.569 4.769 1.00 0.00 C ATOM 175 C TRP A 16 1.254 -14.472 3.307 1.00 0.00 C ATOM 176 O TRP A 16 0.194 -14.967 2.923 1.00 0.00 O ATOM 177 CB TRP A 16 1.797 -16.038 5.181 1.00 0.00 C ATOM 178 CG TRP A 16 2.518 -16.232 6.481 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.955 -16.363 7.718 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.934 -16.316 6.671 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.936 -16.523 8.666 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.159 -16.499 8.050 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.034 -16.256 5.812 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.439 -16.621 8.585 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.304 -16.377 6.345 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.497 -16.558 7.721 1.00 0.00 C ATOM 0 H TRP A 16 0.127 -14.494 6.178 1.00 0.00 H new ATOM 0 HA TRP A 16 2.648 -14.087 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.799 -16.469 5.259 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.320 -16.586 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.894 -16.344 7.921 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.779 -16.641 9.667 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.895 -16.118 4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.591 -16.760 9.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.161 -16.331 5.690 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.502 -16.650 8.107 1.00 0.00 H new ATOM 197 N LEU A 17 2.089 -13.832 2.495 1.00 0.00 N ATOM 198 CA LEU A 17 1.801 -13.671 1.074 1.00 0.00 C ATOM 199 C LEU A 17 2.979 -14.136 0.224 1.00 0.00 C ATOM 200 O LEU A 17 4.137 -13.886 0.558 1.00 0.00 O ATOM 201 CB LEU A 17 1.479 -12.208 0.762 1.00 0.00 C ATOM 202 CG LEU A 17 0.050 -11.756 1.064 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.052 -10.240 1.020 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.927 -12.387 0.082 1.00 0.00 C ATOM 0 H LEU A 17 2.970 -13.416 2.796 1.00 0.00 H new ATOM 0 HA LEU A 17 0.935 -14.288 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.165 -11.577 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.679 -12.030 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.210 -12.087 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.076 -9.938 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.619 -9.808 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.228 -9.885 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.939 -12.054 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.668 -12.086 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.875 -13.473 0.163 1.00 0.00 H new ATOM 216 N PHE A 18 2.674 -14.814 -0.878 1.00 0.00 N ATOM 217 CA PHE A 18 3.707 -15.314 -1.778 1.00 0.00 C ATOM 218 C PHE A 18 4.020 -14.293 -2.868 1.00 0.00 C ATOM 219 O PHE A 18 3.150 -13.924 -3.657 1.00 0.00 O ATOM 220 CB PHE A 18 3.266 -16.634 -2.412 1.00 0.00 C ATOM 221 CG PHE A 18 3.133 -17.758 -1.424 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.256 -17.659 -0.356 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.884 -18.914 -1.564 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.132 -18.691 0.555 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.764 -19.950 -0.657 1.00 0.00 C ATOM 226 CZ PHE A 18 2.886 -19.839 0.403 1.00 0.00 C ATOM 0 H PHE A 18 1.720 -15.030 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 18 4.611 -15.484 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.309 -16.486 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.986 -16.918 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.662 -16.765 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.571 -19.007 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.447 -18.600 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.356 -20.845 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.789 -20.648 1.112 1.00 0.00 H new ATOM 236 N LYS A 19 5.268 -13.839 -2.906 1.00 0.00 N ATOM 237 CA LYS A 19 5.698 -12.862 -3.898 1.00 0.00 C ATOM 238 C LYS A 19 6.446 -13.540 -5.041 1.00 0.00 C ATOM 239 O LYS A 19 7.481 -14.170 -4.829 1.00 0.00 O ATOM 240 CB LYS A 19 6.591 -11.803 -3.247 1.00 0.00 C ATOM 241 CG LYS A 19 6.856 -10.600 -4.137 1.00 0.00 C ATOM 242 CD LYS A 19 7.959 -9.721 -3.572 1.00 0.00 C ATOM 243 CE LYS A 19 7.921 -8.324 -4.173 1.00 0.00 C ATOM 244 NZ LYS A 19 8.504 -8.293 -5.542 1.00 0.00 N ATOM 0 H LYS A 19 6.000 -14.133 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 19 4.809 -12.379 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.124 -11.464 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.543 -12.260 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.135 -10.939 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.942 -10.016 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.855 -9.655 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.928 -10.178 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.890 -7.972 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.470 -7.637 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.459 -7.324 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.496 -8.604 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.965 -8.929 -6.163 1.00 0.00 H new ATOM 258 N GLN A 20 5.916 -13.404 -6.252 1.00 0.00 N ATOM 259 CA GLN A 20 6.535 -14.004 -7.428 1.00 0.00 C ATOM 260 C GLN A 20 8.011 -13.630 -7.517 1.00 0.00 C ATOM 261 O GLN A 20 8.372 -12.458 -7.411 1.00 0.00 O ATOM 262 CB GLN A 20 5.807 -13.558 -8.698 1.00 0.00 C ATOM 263 CG GLN A 20 5.913 -14.553 -9.842 1.00 0.00 C ATOM 264 CD GLN A 20 4.845 -14.346 -10.897 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.635 -13.230 -11.374 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.162 -15.423 -11.267 1.00 0.00 N ATOM 0 H GLN A 20 5.060 -12.884 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 20 6.458 -15.087 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.755 -13.396 -8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.213 -12.600 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.896 -14.466 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.836 -15.566 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.369 -16.328 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.430 -15.345 -11.973 1.00 0.00 H new ATOM 275 N ALA A 21 8.860 -14.633 -7.711 1.00 0.00 N ATOM 276 CA ALA A 21 10.297 -14.409 -7.815 1.00 0.00 C ATOM 277 C ALA A 21 10.629 -13.526 -9.013 1.00 0.00 C ATOM 278 O ALA A 21 9.928 -13.545 -10.024 1.00 0.00 O ATOM 279 CB ALA A 21 11.032 -15.738 -7.916 1.00 0.00 C ATOM 0 H ALA A 21 8.578 -15.609 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 21 10.626 -13.892 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.104 -15.556 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.828 -16.335 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.691 -16.276 -8.800 1.00 0.00 H new ATOM 352 N GLN A 27 9.050 -18.929 -9.754 1.00 0.00 N ATOM 353 CA GLN A 27 8.466 -19.644 -8.626 1.00 0.00 C ATOM 354 C GLN A 27 7.888 -18.670 -7.605 1.00 0.00 C ATOM 355 O GLN A 27 8.131 -17.465 -7.675 1.00 0.00 O ATOM 356 CB GLN A 27 9.516 -20.535 -7.961 1.00 0.00 C ATOM 357 CG GLN A 27 10.778 -19.791 -7.556 1.00 0.00 C ATOM 358 CD GLN A 27 11.737 -20.656 -6.762 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.413 -21.785 -6.393 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.927 -20.129 -6.495 1.00 0.00 N ATOM 0 HA GLN A 27 7.657 -20.269 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.079 -21.000 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.783 -21.340 -8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.281 -19.424 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.506 -18.918 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.153 -19.189 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.614 -20.664 -5.964 1.00 0.00 H new ATOM 369 N TRP A 28 7.123 -19.199 -6.657 1.00 0.00 N ATOM 370 CA TRP A 28 6.510 -18.375 -5.621 1.00 0.00 C ATOM 371 C TRP A 28 7.151 -18.642 -4.264 1.00 0.00 C ATOM 372 O TRP A 28 7.168 -19.775 -3.787 1.00 0.00 O ATOM 373 CB TRP A 28 5.006 -18.644 -5.550 1.00 0.00 C ATOM 374 CG TRP A 28 4.269 -18.224 -6.785 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.211 -18.895 -7.974 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.485 -17.037 -6.954 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.439 -18.196 -8.871 1.00 0.00 N ATOM 378 CE2 TRP A 28 2.982 -17.054 -8.269 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.158 -15.964 -6.121 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.171 -16.038 -8.769 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.354 -14.956 -6.618 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.868 -14.999 -7.931 1.00 0.00 C ATOM 0 H TRP A 28 6.912 -20.194 -6.584 1.00 0.00 H new ATOM 0 HA TRP A 28 6.673 -17.329 -5.880 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.842 -19.708 -5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.590 -18.118 -4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.700 -19.836 -8.179 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.239 -18.482 -9.830 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.527 -15.923 -5.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.795 -16.069 -9.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.096 -14.121 -5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.241 -14.196 -8.290 1.00 0.00 H new ATOM 393 N ASN A 29 7.677 -17.589 -3.646 1.00 0.00 N ATOM 394 CA ASN A 29 8.320 -17.710 -2.342 1.00 0.00 C ATOM 395 C ASN A 29 7.448 -17.105 -1.247 1.00 0.00 C ATOM 396 O ASN A 29 7.092 -15.927 -1.301 1.00 0.00 O ATOM 397 CB ASN A 29 9.687 -17.023 -2.359 1.00 0.00 C ATOM 398 CG ASN A 29 10.616 -17.609 -3.404 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.516 -18.787 -3.751 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.528 -16.788 -3.913 1.00 0.00 N ATOM 0 H ASN A 29 7.671 -16.643 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 29 8.456 -18.770 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.553 -15.959 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.148 -17.113 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.181 -17.126 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.575 -15.819 -3.597 1.00 0.00 H new ATOM 407 N LYS A 30 7.106 -17.918 -0.253 1.00 0.00 N ATOM 408 CA LYS A 30 6.277 -17.464 0.857 1.00 0.00 C ATOM 409 C LYS A 30 7.029 -16.456 1.721 1.00 0.00 C ATOM 410 O LYS A 30 8.136 -16.727 2.186 1.00 0.00 O ATOM 411 CB LYS A 30 5.835 -18.655 1.711 1.00 0.00 C ATOM 412 CG LYS A 30 4.817 -18.293 2.779 1.00 0.00 C ATOM 413 CD LYS A 30 4.287 -19.530 3.485 1.00 0.00 C ATOM 414 CE LYS A 30 3.898 -19.226 4.923 1.00 0.00 C ATOM 415 NZ LYS A 30 5.050 -19.377 5.854 1.00 0.00 N ATOM 0 H LYS A 30 7.391 -18.896 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 30 5.395 -16.975 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.411 -19.420 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.711 -19.093 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.275 -17.625 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.989 -17.749 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.421 -19.915 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.046 -20.312 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.511 -18.209 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.093 -19.894 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.731 -19.841 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.787 -19.956 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.438 -18.439 6.081 1.00 0.00 H new ATOM 429 N ARG A 31 6.419 -15.295 1.933 1.00 0.00 N ATOM 430 CA ARG A 31 7.031 -14.247 2.742 1.00 0.00 C ATOM 431 C ARG A 31 5.979 -13.517 3.571 1.00 0.00 C ATOM 432 O ARG A 31 4.818 -13.420 3.174 1.00 0.00 O ATOM 433 CB ARG A 31 7.773 -13.252 1.848 1.00 0.00 C ATOM 434 CG ARG A 31 8.935 -12.560 2.542 1.00 0.00 C ATOM 435 CD ARG A 31 10.134 -13.486 2.678 1.00 0.00 C ATOM 436 NE ARG A 31 10.924 -13.542 1.450 1.00 0.00 N ATOM 437 CZ ARG A 31 12.204 -13.894 1.416 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.836 -14.219 2.535 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.855 -13.921 0.260 1.00 0.00 N ATOM 0 H ARG A 31 5.502 -15.056 1.556 1.00 0.00 H new ATOM 0 HA ARG A 31 7.743 -14.715 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.146 -13.775 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.069 -12.498 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.221 -11.673 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.621 -12.222 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.764 -13.145 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.791 -14.488 2.934 1.00 0.00 H new ATOM 0 HE ARG A 31 10.468 -13.297 0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.339 -14.199 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.819 -14.489 2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.372 -13.671 -0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.838 -14.191 0.235 1.00 0.00 H new ATOM 453 N TRP A 32 6.394 -13.005 4.724 1.00 0.00 N ATOM 454 CA TRP A 32 5.487 -12.283 5.610 1.00 0.00 C ATOM 455 C TRP A 32 5.308 -10.841 5.149 1.00 0.00 C ATOM 456 O TRP A 32 6.280 -10.096 5.018 1.00 0.00 O ATOM 457 CB TRP A 32 6.015 -12.311 7.046 1.00 0.00 C ATOM 458 CG TRP A 32 5.070 -11.702 8.037 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.300 -10.609 8.824 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.747 -12.152 8.350 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.200 -10.353 9.606 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.233 -11.285 9.333 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.947 -13.202 7.893 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.956 -11.438 9.867 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.680 -13.353 8.423 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.194 -12.475 9.401 1.00 0.00 C ATOM 0 H TRP A 32 7.352 -13.076 5.067 1.00 0.00 H new ATOM 0 HA TRP A 32 4.516 -12.778 5.577 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.215 -13.344 7.332 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.966 -11.779 7.087 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.212 -10.031 8.830 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.116 -9.592 10.281 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.312 -13.883 7.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.581 -10.763 10.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.053 -14.162 8.077 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.199 -12.619 9.795 1.00 0.00 H new ATOM 477 N PHE A 33 4.061 -10.453 4.904 1.00 0.00 N ATOM 478 CA PHE A 33 3.756 -9.099 4.456 1.00 0.00 C ATOM 479 C PHE A 33 2.954 -8.345 5.513 1.00 0.00 C ATOM 480 O PHE A 33 2.043 -8.898 6.129 1.00 0.00 O ATOM 481 CB PHE A 33 2.976 -9.138 3.140 1.00 0.00 C ATOM 482 CG PHE A 33 3.848 -9.335 1.933 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.273 -10.602 1.568 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.243 -8.252 1.164 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.075 -10.786 0.457 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.044 -8.431 0.052 1.00 0.00 C ATOM 487 CZ PHE A 33 5.462 -9.699 -0.301 1.00 0.00 C ATOM 0 H PHE A 33 3.245 -11.057 5.008 1.00 0.00 H new ATOM 0 HA PHE A 33 4.698 -8.575 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.243 -9.944 3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.420 -8.207 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.974 -11.456 2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.922 -7.258 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.398 -11.779 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.343 -7.579 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.090 -9.840 -1.168 1.00 0.00 H new ATOM 497 N VAL A 34 3.301 -7.078 5.718 1.00 0.00 N ATOM 498 CA VAL A 34 2.615 -6.246 6.699 1.00 0.00 C ATOM 499 C VAL A 34 2.342 -4.853 6.144 1.00 0.00 C ATOM 500 O VAL A 34 3.249 -4.026 6.037 1.00 0.00 O ATOM 501 CB VAL A 34 3.434 -6.118 7.997 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.698 -5.253 9.009 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.732 -7.493 8.576 1.00 0.00 C ATOM 0 H VAL A 34 4.054 -6.605 5.217 1.00 0.00 H new ATOM 0 HA VAL A 34 1.668 -6.737 6.923 1.00 0.00 H new ATOM 0 HB VAL A 34 4.382 -5.634 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.292 -5.174 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.540 -4.259 8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.734 -5.706 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.311 -7.384 9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.796 -8.005 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.303 -8.076 7.853 1.00 0.00 H new ATOM 513 N LEU A 35 1.086 -4.598 5.791 1.00 0.00 N ATOM 514 CA LEU A 35 0.692 -3.304 5.247 1.00 0.00 C ATOM 515 C LEU A 35 0.667 -2.239 6.338 1.00 0.00 C ATOM 516 O LEU A 35 -0.073 -2.354 7.315 1.00 0.00 O ATOM 517 CB LEU A 35 -0.683 -3.404 4.584 1.00 0.00 C ATOM 518 CG LEU A 35 -1.381 -2.078 4.283 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.645 -1.323 3.188 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.831 -2.316 3.887 1.00 0.00 C ATOM 0 H LEU A 35 0.324 -5.271 5.872 1.00 0.00 H new ATOM 0 HA LEU A 35 1.429 -3.013 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.574 -3.955 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.333 -3.995 5.229 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.367 -1.470 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.157 -0.382 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.376 -1.119 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.626 -1.926 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.312 -1.361 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.867 -2.944 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.354 -2.814 4.704 1.00 0.00 H new ATOM 532 N VAL A 36 1.479 -1.201 6.164 1.00 0.00 N ATOM 533 CA VAL A 36 1.548 -0.113 7.133 1.00 0.00 C ATOM 534 C VAL A 36 0.949 1.168 6.564 1.00 0.00 C ATOM 535 O VAL A 36 0.439 1.183 5.443 1.00 0.00 O ATOM 536 CB VAL A 36 3.000 0.161 7.567 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.676 1.119 6.597 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.037 0.711 8.984 1.00 0.00 C ATOM 0 H VAL A 36 2.098 -1.090 5.361 1.00 0.00 H new ATOM 0 HA VAL A 36 0.970 -0.426 8.002 1.00 0.00 H new ATOM 0 HB VAL A 36 3.549 -0.781 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.701 1.301 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.682 0.682 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.130 2.062 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.071 0.899 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.473 1.643 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.594 -0.014 9.667 1.00 0.00 H new ATOM 548 N ASP A 37 1.014 2.242 7.343 1.00 0.00 N ATOM 549 CA ASP A 37 0.479 3.530 6.916 1.00 0.00 C ATOM 550 C ASP A 37 0.861 3.824 5.469 1.00 0.00 C ATOM 551 O ASP A 37 2.039 3.975 5.146 1.00 0.00 O ATOM 552 CB ASP A 37 0.990 4.646 7.828 1.00 0.00 C ATOM 553 CG ASP A 37 2.496 4.804 7.762 1.00 0.00 C ATOM 554 OD1 ASP A 37 3.207 3.948 8.328 1.00 0.00 O ATOM 555 OD2 ASP A 37 2.964 5.785 7.146 1.00 0.00 O ATOM 0 H ASP A 37 1.432 2.246 8.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.608 3.485 6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.516 5.587 7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.694 4.435 8.856 1.00 0.00 H new ATOM 560 N ARG A 38 -0.143 3.904 4.602 1.00 0.00 N ATOM 561 CA ARG A 38 0.088 4.178 3.188 1.00 0.00 C ATOM 562 C ARG A 38 1.377 3.516 2.710 1.00 0.00 C ATOM 563 O ARG A 38 2.064 4.036 1.830 1.00 0.00 O ATOM 564 CB ARG A 38 0.156 5.687 2.944 1.00 0.00 C ATOM 565 CG ARG A 38 -1.145 6.412 3.245 1.00 0.00 C ATOM 566 CD ARG A 38 -1.266 7.697 2.440 1.00 0.00 C ATOM 567 NE ARG A 38 -2.596 8.290 2.551 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.877 9.537 2.193 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.925 10.320 1.702 1.00 0.00 N ATOM 570 NH2 ARG A 38 -4.111 10.005 2.324 1.00 0.00 N ATOM 0 H ARG A 38 -1.124 3.783 4.853 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.745 3.762 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.949 6.111 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.430 5.866 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.988 5.759 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.197 6.642 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.520 8.413 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.048 7.490 1.392 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.351 7.714 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.975 9.964 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.143 11.278 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.846 9.406 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.325 10.963 2.048 1.00 0.00 H new ATOM 584 N CYS A 39 1.698 2.367 3.295 1.00 0.00 N ATOM 585 CA CYS A 39 2.904 1.634 2.929 1.00 0.00 C ATOM 586 C CYS A 39 2.745 0.145 3.218 1.00 0.00 C ATOM 587 O CYS A 39 1.761 -0.278 3.827 1.00 0.00 O ATOM 588 CB CYS A 39 4.112 2.187 3.688 1.00 0.00 C ATOM 589 SG CYS A 39 4.925 3.578 2.869 1.00 0.00 S ATOM 0 H CYS A 39 1.140 1.923 4.024 1.00 0.00 H new ATOM 0 HA CYS A 39 3.066 1.762 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.791 2.501 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.838 1.386 3.827 1.00 0.00 H new ATOM 0 HG CYS A 39 4.052 4.239 2.168 1.00 0.00 H new ATOM 595 N LEU A 40 3.717 -0.646 2.776 1.00 0.00 N ATOM 596 CA LEU A 40 3.684 -2.089 2.986 1.00 0.00 C ATOM 597 C LEU A 40 5.096 -2.659 3.073 1.00 0.00 C ATOM 598 O LEU A 40 5.887 -2.530 2.139 1.00 0.00 O ATOM 599 CB LEU A 40 2.915 -2.771 1.854 1.00 0.00 C ATOM 600 CG LEU A 40 3.142 -4.276 1.699 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.635 -5.021 2.924 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.462 -4.791 0.439 1.00 0.00 C ATOM 0 H LEU A 40 4.537 -0.312 2.270 1.00 0.00 H new ATOM 0 HA LEU A 40 3.175 -2.283 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.850 -2.599 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.183 -2.285 0.916 1.00 0.00 H new ATOM 0 HG LEU A 40 4.213 -4.455 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.805 -6.090 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.168 -4.672 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.568 -4.835 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.634 -5.863 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.391 -4.599 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.873 -4.280 -0.431 1.00 0.00 H new ATOM 614 N PHE A 41 5.405 -3.291 4.200 1.00 0.00 N ATOM 615 CA PHE A 41 6.721 -3.883 4.409 1.00 0.00 C ATOM 616 C PHE A 41 6.616 -5.394 4.594 1.00 0.00 C ATOM 617 O PHE A 41 5.641 -5.895 5.156 1.00 0.00 O ATOM 618 CB PHE A 41 7.399 -3.254 5.628 1.00 0.00 C ATOM 619 CG PHE A 41 7.661 -1.783 5.476 1.00 0.00 C ATOM 620 CD1 PHE A 41 6.653 -0.859 5.701 1.00 0.00 C ATOM 621 CD2 PHE A 41 8.916 -1.324 5.109 1.00 0.00 C ATOM 622 CE1 PHE A 41 6.891 0.495 5.562 1.00 0.00 C ATOM 623 CE2 PHE A 41 9.160 0.029 4.969 1.00 0.00 C ATOM 624 CZ PHE A 41 8.146 0.940 5.195 1.00 0.00 C ATOM 0 H PHE A 41 4.762 -3.406 4.983 1.00 0.00 H new ATOM 0 HA PHE A 41 7.325 -3.685 3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.772 -3.414 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.343 -3.766 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.670 -1.201 5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.712 -2.032 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.097 1.205 5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.143 0.374 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.334 1.998 5.085 1.00 0.00 H new ATOM 634 N TYR A 42 7.625 -6.114 4.117 1.00 0.00 N ATOM 635 CA TYR A 42 7.645 -7.568 4.226 1.00 0.00 C ATOM 636 C TYR A 42 8.892 -8.041 4.966 1.00 0.00 C ATOM 637 O TYR A 42 9.931 -7.380 4.941 1.00 0.00 O ATOM 638 CB TYR A 42 7.589 -8.206 2.837 1.00 0.00 C ATOM 639 CG TYR A 42 8.732 -7.794 1.936 1.00 0.00 C ATOM 640 CD1 TYR A 42 8.680 -6.608 1.213 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.862 -8.592 1.806 1.00 0.00 C ATOM 642 CE1 TYR A 42 9.721 -6.229 0.388 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.908 -8.219 0.984 1.00 0.00 C ATOM 644 CZ TYR A 42 10.833 -7.037 0.277 1.00 0.00 C ATOM 645 OH TYR A 42 11.872 -6.663 -0.544 1.00 0.00 O ATOM 0 H TYR A 42 8.440 -5.715 3.651 1.00 0.00 H new ATOM 0 HA TYR A 42 6.768 -7.877 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.594 -9.291 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.646 -7.937 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.811 -5.972 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.924 -9.519 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.664 -5.304 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.780 -8.850 0.895 1.00 0.00 H new ATOM 0 HH TYR A 42 12.578 -7.342 -0.508 1.00 0.00 H new ATOM 655 N TYR A 43 8.782 -9.190 5.623 1.00 0.00 N ATOM 656 CA TYR A 43 9.899 -9.753 6.372 1.00 0.00 C ATOM 657 C TYR A 43 9.976 -11.264 6.183 1.00 0.00 C ATOM 658 O TYR A 43 9.056 -11.883 5.648 1.00 0.00 O ATOM 659 CB TYR A 43 9.763 -9.420 7.859 1.00 0.00 C ATOM 660 CG TYR A 43 9.257 -8.020 8.122 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.965 -7.649 7.770 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.071 -7.068 8.724 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.499 -6.370 8.008 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.613 -5.787 8.967 1.00 0.00 C ATOM 665 CZ TYR A 43 8.326 -5.443 8.607 1.00 0.00 C ATOM 666 OH TYR A 43 7.865 -4.169 8.847 1.00 0.00 O ATOM 0 H TYR A 43 7.930 -9.750 5.652 1.00 0.00 H new ATOM 0 HA TYR A 43 10.819 -9.310 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.084 -10.136 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.733 -9.543 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.314 -8.373 7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.079 -7.334 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.493 -6.098 7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.259 -5.059 9.436 1.00 0.00 H new ATOM 0 HH TYR A 43 8.571 -3.641 9.275 1.00 0.00 H new ATOM 676 N LYS A 44 11.081 -11.854 6.626 1.00 0.00 N ATOM 677 CA LYS A 44 11.281 -13.294 6.508 1.00 0.00 C ATOM 678 C LYS A 44 10.113 -14.057 7.126 1.00 0.00 C ATOM 679 O LYS A 44 9.621 -15.028 6.552 1.00 0.00 O ATOM 680 CB LYS A 44 12.589 -13.705 7.187 1.00 0.00 C ATOM 681 CG LYS A 44 13.790 -13.680 6.258 1.00 0.00 C ATOM 682 CD LYS A 44 14.475 -12.324 6.268 1.00 0.00 C ATOM 683 CE LYS A 44 15.960 -12.447 5.964 1.00 0.00 C ATOM 684 NZ LYS A 44 16.206 -12.826 4.545 1.00 0.00 N ATOM 0 H LYS A 44 11.853 -11.357 7.071 1.00 0.00 H new ATOM 0 HA LYS A 44 11.335 -13.543 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.777 -13.038 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.477 -14.709 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.500 -14.450 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.471 -13.920 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.005 -11.672 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.340 -11.854 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.454 -11.499 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.405 -13.194 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.850 -13.642 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.304 -13.077 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.636 -12.024 4.041 1.00 0.00 H new ATOM 698 N ASP A 45 9.675 -13.611 8.298 1.00 0.00 N ATOM 699 CA ASP A 45 8.564 -14.250 8.993 1.00 0.00 C ATOM 700 C ASP A 45 7.885 -13.273 9.947 1.00 0.00 C ATOM 701 O ASP A 45 8.231 -12.093 9.992 1.00 0.00 O ATOM 702 CB ASP A 45 9.054 -15.477 9.763 1.00 0.00 C ATOM 703 CG ASP A 45 10.102 -16.261 8.998 1.00 0.00 C ATOM 704 OD1 ASP A 45 9.731 -16.969 8.038 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.294 -16.165 9.358 1.00 0.00 O ATOM 0 H ASP A 45 10.073 -12.809 8.787 1.00 0.00 H new ATOM 0 HA ASP A 45 7.835 -14.566 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.469 -15.160 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.207 -16.127 9.982 1.00 0.00 H new ATOM 710 N GLU A 46 6.915 -13.772 10.707 1.00 0.00 N ATOM 711 CA GLU A 46 6.186 -12.942 11.659 1.00 0.00 C ATOM 712 C GLU A 46 7.148 -12.115 12.507 1.00 0.00 C ATOM 713 O GLU A 46 6.830 -10.998 12.916 1.00 0.00 O ATOM 714 CB GLU A 46 5.311 -13.812 12.563 1.00 0.00 C ATOM 715 CG GLU A 46 6.027 -15.036 13.108 1.00 0.00 C ATOM 716 CD GLU A 46 5.349 -15.609 14.337 1.00 0.00 C ATOM 717 OE1 GLU A 46 4.467 -16.479 14.178 1.00 0.00 O ATOM 718 OE2 GLU A 46 5.702 -15.188 15.459 1.00 0.00 O ATOM 0 H GLU A 46 6.616 -14.747 10.682 1.00 0.00 H new ATOM 0 HA GLU A 46 5.548 -12.261 11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.953 -13.209 13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.433 -14.134 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.072 -15.801 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.055 -14.771 13.355 1.00 0.00 H new ATOM 725 N LYS A 47 8.327 -12.671 12.767 1.00 0.00 N ATOM 726 CA LYS A 47 9.337 -11.987 13.565 1.00 0.00 C ATOM 727 C LYS A 47 9.475 -10.530 13.135 1.00 0.00 C ATOM 728 O LYS A 47 9.718 -9.650 13.961 1.00 0.00 O ATOM 729 CB LYS A 47 10.686 -12.697 13.436 1.00 0.00 C ATOM 730 CG LYS A 47 10.784 -13.970 14.260 1.00 0.00 C ATOM 731 CD LYS A 47 12.223 -14.281 14.636 1.00 0.00 C ATOM 732 CE LYS A 47 12.321 -15.559 15.456 1.00 0.00 C ATOM 733 NZ LYS A 47 12.025 -16.767 14.637 1.00 0.00 N ATOM 0 H LYS A 47 8.606 -13.595 12.436 1.00 0.00 H new ATOM 0 HA LYS A 47 9.018 -12.012 14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.862 -12.938 12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.478 -12.014 13.743 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.185 -13.866 15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.366 -14.803 13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.823 -14.381 13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.639 -13.450 15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.322 -15.643 15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.625 -15.508 16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.217 -17.622 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.025 -16.757 14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.626 -16.767 13.789 1.00 0.00 H new ATOM 747 N GLU A 48 9.316 -10.282 11.839 1.00 0.00 N ATOM 748 CA GLU A 48 9.423 -8.931 11.301 1.00 0.00 C ATOM 749 C GLU A 48 10.473 -8.125 12.060 1.00 0.00 C ATOM 750 O GLU A 48 10.250 -6.965 12.403 1.00 0.00 O ATOM 751 CB GLU A 48 8.069 -8.222 11.372 1.00 0.00 C ATOM 752 CG GLU A 48 7.582 -7.982 12.791 1.00 0.00 C ATOM 753 CD GLU A 48 6.140 -7.514 12.842 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.896 -6.319 12.572 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.258 -8.341 13.150 1.00 0.00 O ATOM 0 H GLU A 48 9.113 -10.999 11.142 1.00 0.00 H new ATOM 0 HA GLU A 48 9.732 -9.005 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.142 -7.265 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.328 -8.817 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.682 -8.903 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.219 -7.237 13.269 1.00 0.00 H new ATOM 762 N GLU A 49 11.618 -8.749 12.317 1.00 0.00 N ATOM 763 CA GLU A 49 12.702 -8.090 13.037 1.00 0.00 C ATOM 764 C GLU A 49 13.619 -7.343 12.073 1.00 0.00 C ATOM 765 O GLU A 49 14.185 -6.306 12.417 1.00 0.00 O ATOM 766 CB GLU A 49 13.509 -9.114 13.837 1.00 0.00 C ATOM 767 CG GLU A 49 14.692 -9.687 13.074 1.00 0.00 C ATOM 768 CD GLU A 49 15.568 -10.575 13.936 1.00 0.00 C ATOM 769 OE1 GLU A 49 15.036 -11.536 14.531 1.00 0.00 O ATOM 770 OE2 GLU A 49 16.786 -10.309 14.015 1.00 0.00 O ATOM 0 H GLU A 49 11.819 -9.709 12.038 1.00 0.00 H new ATOM 0 HA GLU A 49 12.262 -7.368 13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.870 -8.645 14.752 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.851 -9.930 14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.327 -10.261 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.292 -8.870 12.674 1.00 0.00 H new ATOM 777 N SER A 50 13.761 -7.879 10.865 1.00 0.00 N ATOM 778 CA SER A 50 14.613 -7.266 9.852 1.00 0.00 C ATOM 779 C SER A 50 13.821 -6.975 8.581 1.00 0.00 C ATOM 780 O SER A 50 13.249 -7.880 7.972 1.00 0.00 O ATOM 781 CB SER A 50 15.797 -8.179 9.532 1.00 0.00 C ATOM 782 OG SER A 50 16.910 -7.430 9.077 1.00 0.00 O ATOM 0 H SER A 50 13.297 -8.736 10.564 1.00 0.00 H new ATOM 0 HA SER A 50 14.988 -6.323 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.075 -8.745 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.506 -8.903 8.771 1.00 0.00 H new ATOM 0 HG SER A 50 17.654 -8.037 8.881 1.00 0.00 H new ATOM 788 N ILE A 51 13.794 -5.707 8.186 1.00 0.00 N ATOM 789 CA ILE A 51 13.074 -5.296 6.987 1.00 0.00 C ATOM 790 C ILE A 51 13.866 -5.634 5.728 1.00 0.00 C ATOM 791 O ILE A 51 15.058 -5.339 5.632 1.00 0.00 O ATOM 792 CB ILE A 51 12.774 -3.786 7.000 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.828 -3.442 8.152 1.00 0.00 C ATOM 794 CG2 ILE A 51 12.177 -3.353 5.669 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.650 -1.955 8.365 1.00 0.00 C ATOM 0 H ILE A 51 14.262 -4.946 8.679 1.00 0.00 H new ATOM 0 HA ILE A 51 12.132 -5.845 6.981 1.00 0.00 H new ATOM 0 HB ILE A 51 13.709 -3.246 7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.854 -3.892 7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.209 -3.889 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.970 -2.283 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.883 -3.568 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.250 -3.898 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.967 -1.786 9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.615 -1.502 8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.240 -1.505 7.461 1.00 0.00 H new ATOM 807 N LEU A 52 13.195 -6.254 4.763 1.00 0.00 N ATOM 808 CA LEU A 52 13.834 -6.631 3.507 1.00 0.00 C ATOM 809 C LEU A 52 13.602 -5.569 2.437 1.00 0.00 C ATOM 810 O LEU A 52 14.534 -5.151 1.751 1.00 0.00 O ATOM 811 CB LEU A 52 13.301 -7.981 3.026 1.00 0.00 C ATOM 812 CG LEU A 52 13.553 -9.172 3.952 1.00 0.00 C ATOM 813 CD1 LEU A 52 12.474 -10.228 3.770 1.00 0.00 C ATOM 814 CD2 LEU A 52 14.931 -9.764 3.694 1.00 0.00 C ATOM 0 H LEU A 52 12.209 -6.506 4.826 1.00 0.00 H new ATOM 0 HA LEU A 52 14.906 -6.713 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.226 -7.890 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.747 -8.200 2.056 1.00 0.00 H new ATOM 0 HG LEU A 52 13.517 -8.821 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.670 -11.067 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.500 -9.798 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.477 -10.577 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.094 -10.610 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.995 -10.100 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.693 -9.006 3.877 1.00 0.00 H new ATOM 826 N GLY A 53 12.353 -5.135 2.302 1.00 0.00 N ATOM 827 CA GLY A 53 12.021 -4.124 1.316 1.00 0.00 C ATOM 828 C GLY A 53 10.769 -3.350 1.677 1.00 0.00 C ATOM 829 O GLY A 53 9.903 -3.855 2.391 1.00 0.00 O ATOM 0 H GLY A 53 11.565 -5.466 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.856 -3.431 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.883 -4.600 0.345 1.00 0.00 H new ATOM 833 N SER A 54 10.672 -2.120 1.183 1.00 0.00 N ATOM 834 CA SER A 54 9.518 -1.273 1.462 1.00 0.00 C ATOM 835 C SER A 54 8.761 -0.945 0.178 1.00 0.00 C ATOM 836 O SER A 54 9.366 -0.635 -0.849 1.00 0.00 O ATOM 837 CB SER A 54 9.962 0.019 2.150 1.00 0.00 C ATOM 838 OG SER A 54 10.466 0.951 1.209 1.00 0.00 O ATOM 0 H SER A 54 11.378 -1.688 0.588 1.00 0.00 H new ATOM 0 HA SER A 54 8.850 -1.820 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.120 0.457 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.729 -0.205 2.891 1.00 0.00 H new ATOM 0 HG SER A 54 10.741 1.769 1.674 1.00 0.00 H new ATOM 844 N ILE A 55 7.436 -1.016 0.245 1.00 0.00 N ATOM 845 CA ILE A 55 6.597 -0.725 -0.910 1.00 0.00 C ATOM 846 C ILE A 55 5.672 0.456 -0.635 1.00 0.00 C ATOM 847 O ILE A 55 4.677 0.343 0.081 1.00 0.00 O ATOM 848 CB ILE A 55 5.747 -1.946 -1.309 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.647 -3.147 -1.605 1.00 0.00 C ATOM 850 CG2 ILE A 55 4.881 -1.617 -2.516 1.00 0.00 C ATOM 851 CD1 ILE A 55 5.909 -4.467 -1.619 1.00 0.00 C ATOM 0 H ILE A 55 6.921 -1.273 1.087 1.00 0.00 H new ATOM 0 HA ILE A 55 7.267 -0.474 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 55 5.093 -2.202 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.129 -3.000 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.439 -3.191 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.286 -2.490 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.218 -0.787 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.518 -1.338 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.610 -5.273 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.449 -4.637 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.135 -4.443 -2.386 1.00 0.00 H new ATOM 863 N PRO A 56 6.006 1.617 -1.218 1.00 0.00 N ATOM 864 CA PRO A 56 5.217 2.841 -1.053 1.00 0.00 C ATOM 865 C PRO A 56 3.867 2.761 -1.759 1.00 0.00 C ATOM 866 O PRO A 56 3.758 3.066 -2.947 1.00 0.00 O ATOM 867 CB PRO A 56 6.094 3.918 -1.696 1.00 0.00 C ATOM 868 CG PRO A 56 6.936 3.182 -2.681 1.00 0.00 C ATOM 869 CD PRO A 56 7.178 1.823 -2.085 1.00 0.00 C ATOM 0 HA PRO A 56 4.979 3.034 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.489 4.682 -2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.708 4.426 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.431 3.102 -3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.877 3.704 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.249 1.054 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.108 1.793 -1.517 1.00 0.00 H new ATOM 877 N LEU A 57 2.842 2.350 -1.021 1.00 0.00 N ATOM 878 CA LEU A 57 1.499 2.231 -1.577 1.00 0.00 C ATOM 879 C LEU A 57 0.782 3.577 -1.564 1.00 0.00 C ATOM 880 O LEU A 57 -0.299 3.712 -0.989 1.00 0.00 O ATOM 881 CB LEU A 57 0.688 1.201 -0.787 1.00 0.00 C ATOM 882 CG LEU A 57 1.100 -0.260 -0.970 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.335 -1.154 -0.007 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.870 -0.703 -2.408 1.00 0.00 C ATOM 0 H LEU A 57 2.915 2.094 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 57 1.589 1.899 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.758 1.448 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.360 1.300 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 57 2.164 -0.348 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.641 -2.190 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.549 -0.852 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.734 -1.062 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.169 -1.745 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.186 -0.600 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.463 -0.082 -3.079 1.00 0.00 H new ATOM 896 N LEU A 58 1.391 4.571 -2.201 1.00 0.00 N ATOM 897 CA LEU A 58 0.810 5.908 -2.265 1.00 0.00 C ATOM 898 C LEU A 58 -0.125 6.039 -3.464 1.00 0.00 C ATOM 899 O LEU A 58 -1.311 6.330 -3.309 1.00 0.00 O ATOM 900 CB LEU A 58 1.915 6.962 -2.349 1.00 0.00 C ATOM 901 CG LEU A 58 1.529 8.289 -3.002 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.299 8.878 -2.328 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.691 9.270 -2.946 1.00 0.00 C ATOM 0 H LEU A 58 2.286 4.477 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 58 0.230 6.069 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.271 7.167 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.753 6.538 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 58 1.290 8.100 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.039 9.822 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.535 8.183 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.510 9.052 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.398 10.209 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.962 9.454 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.547 8.851 -3.476 1.00 0.00 H new ATOM 915 N SER A 59 0.417 5.819 -4.657 1.00 0.00 N ATOM 916 CA SER A 59 -0.368 5.914 -5.882 1.00 0.00 C ATOM 917 C SER A 59 -0.221 4.648 -6.721 1.00 0.00 C ATOM 918 O SER A 59 0.007 4.713 -7.929 1.00 0.00 O ATOM 919 CB SER A 59 0.066 7.133 -6.698 1.00 0.00 C ATOM 920 OG SER A 59 -0.924 7.491 -7.647 1.00 0.00 O ATOM 0 H SER A 59 1.396 5.574 -4.802 1.00 0.00 H new ATOM 0 HA SER A 59 -1.416 6.026 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.254 7.973 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.004 6.917 -7.210 1.00 0.00 H new ATOM 0 HG SER A 59 -1.111 6.725 -8.229 1.00 0.00 H new ATOM 926 N PHE A 60 -0.354 3.496 -6.071 1.00 0.00 N ATOM 927 CA PHE A 60 -0.235 2.214 -6.755 1.00 0.00 C ATOM 928 C PHE A 60 -1.596 1.736 -7.253 1.00 0.00 C ATOM 929 O PHE A 60 -2.635 2.259 -6.852 1.00 0.00 O ATOM 930 CB PHE A 60 0.375 1.168 -5.821 1.00 0.00 C ATOM 931 CG PHE A 60 1.874 1.098 -5.897 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.657 2.093 -5.333 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.500 0.037 -6.531 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.036 2.031 -5.402 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.878 -0.030 -6.603 1.00 0.00 C ATOM 936 CZ PHE A 60 4.647 0.967 -6.037 1.00 0.00 C ATOM 0 H PHE A 60 -0.544 3.425 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 60 0.421 2.349 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.081 1.393 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.039 0.190 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.184 2.926 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.904 -0.747 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.635 2.813 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.353 -0.862 -7.102 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.724 0.915 -6.091 1.00 0.00 H new ATOM 946 N ARG A 61 -1.580 0.738 -8.131 1.00 0.00 N ATOM 947 CA ARG A 61 -2.812 0.189 -8.686 1.00 0.00 C ATOM 948 C ARG A 61 -2.975 -1.278 -8.301 1.00 0.00 C ATOM 949 O ARG A 61 -2.450 -2.168 -8.970 1.00 0.00 O ATOM 950 CB ARG A 61 -2.818 0.332 -10.209 1.00 0.00 C ATOM 951 CG ARG A 61 -4.130 -0.083 -10.855 1.00 0.00 C ATOM 952 CD ARG A 61 -4.156 0.261 -12.336 1.00 0.00 C ATOM 953 NE ARG A 61 -5.504 0.187 -12.891 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.759 0.091 -14.192 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.762 0.058 -15.065 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.013 0.028 -14.620 1.00 0.00 N ATOM 0 H ARG A 61 -0.728 0.293 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.650 0.750 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.607 1.369 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.011 -0.271 -10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.276 -1.156 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.958 0.414 -10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.759 1.265 -12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.503 -0.422 -12.878 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.293 0.210 -12.245 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.797 0.106 -14.739 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.960 -0.016 -16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.782 0.053 -13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.208 -0.046 -15.618 1.00 0.00 H new ATOM 970 N VAL A 62 -3.706 -1.523 -7.219 1.00 0.00 N ATOM 971 CA VAL A 62 -3.939 -2.882 -6.745 1.00 0.00 C ATOM 972 C VAL A 62 -5.250 -3.437 -7.290 1.00 0.00 C ATOM 973 O VAL A 62 -6.293 -2.787 -7.207 1.00 0.00 O ATOM 974 CB VAL A 62 -3.969 -2.942 -5.206 1.00 0.00 C ATOM 975 CG1 VAL A 62 -4.068 -4.383 -4.730 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.740 -2.262 -4.622 1.00 0.00 C ATOM 0 H VAL A 62 -4.147 -0.798 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.111 -3.491 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.852 -2.407 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.088 -4.406 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.981 -4.833 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.206 -4.945 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.778 -2.314 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.842 -2.766 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.719 -1.218 -4.935 1.00 0.00 H new ATOM 986 N ALA A 63 -5.191 -4.642 -7.846 1.00 0.00 N ATOM 987 CA ALA A 63 -6.374 -5.286 -8.403 1.00 0.00 C ATOM 988 C ALA A 63 -6.060 -6.703 -8.868 1.00 0.00 C ATOM 989 O ALA A 63 -4.946 -6.991 -9.305 1.00 0.00 O ATOM 990 CB ALA A 63 -6.931 -4.461 -9.554 1.00 0.00 C ATOM 0 H ALA A 63 -4.336 -5.193 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.127 -5.349 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.814 -4.954 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.203 -3.469 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.176 -4.369 -10.334 1.00 0.00 H new ATOM 996 N ALA A 64 -7.049 -7.586 -8.771 1.00 0.00 N ATOM 997 CA ALA A 64 -6.878 -8.974 -9.183 1.00 0.00 C ATOM 998 C ALA A 64 -5.989 -9.074 -10.418 1.00 0.00 C ATOM 999 O ALA A 64 -6.184 -8.351 -11.396 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.231 -9.615 -9.451 1.00 0.00 C ATOM 0 H ALA A 64 -7.977 -7.365 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.388 -9.511 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.088 -10.651 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.834 -9.585 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.742 -9.069 -10.244 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.012 -9.973 -10.367 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.093 -10.168 -11.482 1.00 0.00 C ATOM 1008 C VAL A 65 -4.849 -10.333 -12.795 1.00 0.00 C ATOM 1009 O VAL A 65 -6.049 -10.606 -12.801 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.195 -11.400 -11.261 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.218 -11.151 -10.122 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.042 -12.634 -10.988 1.00 0.00 C ATOM 0 H VAL A 65 -4.836 -10.578 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.468 -9.277 -11.536 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.619 -11.576 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.592 -12.032 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.589 -10.294 -10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.772 -10.948 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.392 -13.495 -10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.645 -12.471 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.697 -12.821 -11.839 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.139 -10.166 -13.906 1.00 0.00 N ATOM 1023 CA GLN A 66 -4.744 -10.297 -15.226 1.00 0.00 C ATOM 1024 C GLN A 66 -4.511 -11.692 -15.796 1.00 0.00 C ATOM 1025 O GLN A 66 -3.592 -12.407 -15.397 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.175 -9.243 -16.178 1.00 0.00 C ATOM 1027 CG GLN A 66 -4.951 -7.935 -16.171 1.00 0.00 C ATOM 1028 CD GLN A 66 -4.508 -6.988 -17.269 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -3.613 -6.166 -17.072 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -5.133 -7.099 -18.435 1.00 0.00 N ATOM 0 H GLN A 66 -3.144 -9.940 -13.918 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.818 -10.141 -15.122 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.138 -9.042 -15.907 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.168 -9.646 -17.191 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.014 -8.147 -16.286 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.826 -7.448 -15.204 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.869 -7.794 -18.555 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.877 -6.489 -19.211 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.363 -12.091 -16.752 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.271 -13.404 -17.398 1.00 0.00 C ATOM 1041 C PRO A 67 -4.048 -13.520 -18.302 1.00 0.00 C ATOM 1042 O PRO A 67 -3.835 -14.548 -18.944 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.557 -13.484 -18.224 1.00 0.00 C ATOM 1044 CG PRO A 67 -6.928 -12.066 -18.486 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.483 -11.291 -17.277 1.00 0.00 C ATOM 0 HA PRO A 67 -5.165 -14.210 -16.672 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.397 -14.030 -19.154 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.345 -14.005 -17.680 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.441 -11.696 -19.388 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.002 -11.966 -18.640 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.167 -10.282 -17.541 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.285 -11.193 -16.545 1.00 0.00 H new ATOM 1053 N SER A 68 -3.248 -12.460 -18.347 1.00 0.00 N ATOM 1054 CA SER A 68 -2.048 -12.442 -19.175 1.00 0.00 C ATOM 1055 C SER A 68 -0.847 -11.935 -18.382 1.00 0.00 C ATOM 1056 O SER A 68 -0.090 -11.087 -18.854 1.00 0.00 O ATOM 1057 CB SER A 68 -2.267 -11.564 -20.408 1.00 0.00 C ATOM 1058 OG SER A 68 -2.507 -10.217 -20.038 1.00 0.00 O ATOM 0 H SER A 68 -3.409 -11.602 -17.820 1.00 0.00 H new ATOM 0 HA SER A 68 -1.843 -13.463 -19.496 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.392 -11.616 -21.056 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.112 -11.943 -20.983 1.00 0.00 H new ATOM 0 HG SER A 68 -2.642 -9.676 -20.844 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.357 -19.124 -7.942 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.661 -18.543 -7.648 1.00 0.00 C ATOM 1146 C LYS A 74 -5.579 -17.601 -6.451 1.00 0.00 C ATOM 1147 O LYS A 74 -4.666 -17.701 -5.631 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.684 -19.647 -7.372 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.194 -20.332 -8.628 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.468 -21.114 -8.360 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.165 -22.532 -7.900 1.00 0.00 C ATOM 1152 NZ LYS A 74 -7.975 -23.459 -9.049 1.00 0.00 N ATOM 0 HA LYS A 74 -5.980 -17.970 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.233 -20.394 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.529 -19.221 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.380 -19.586 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.428 -21.005 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.057 -20.602 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.074 -21.146 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.266 -22.529 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.981 -22.893 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.771 -24.415 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.841 -23.481 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.180 -23.129 -9.633 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.540 -16.688 -6.355 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.578 -15.729 -5.257 1.00 0.00 C ATOM 1168 C HIS A 75 -5.303 -14.891 -5.223 1.00 0.00 C ATOM 1169 O HIS A 75 -4.699 -14.702 -4.166 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.760 -16.456 -3.924 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.634 -17.668 -4.017 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.830 -17.683 -4.703 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.478 -18.913 -3.509 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.374 -18.883 -4.610 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.573 -19.649 -3.891 1.00 0.00 N ATOM 0 H HIS A 75 -7.303 -16.592 -7.025 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.425 -15.063 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.782 -16.752 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.188 -15.765 -3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.647 -19.263 -2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.314 -19.186 -5.047 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.740 -20.628 -3.658 1.00 0.00 H new ATOM 1184 N THR A 76 -4.897 -14.392 -6.386 1.00 0.00 N ATOM 1185 CA THR A 76 -3.693 -13.577 -6.490 1.00 0.00 C ATOM 1186 C THR A 76 -4.008 -12.205 -7.075 1.00 0.00 C ATOM 1187 O THR A 76 -4.886 -12.068 -7.926 1.00 0.00 O ATOM 1188 CB THR A 76 -2.625 -14.262 -7.364 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.421 -15.608 -6.922 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.310 -13.499 -7.307 1.00 0.00 C ATOM 0 H THR A 76 -5.385 -14.538 -7.270 1.00 0.00 H new ATOM 0 HA THR A 76 -3.303 -13.458 -5.479 1.00 0.00 H new ATOM 0 HB THR A 76 -2.979 -14.268 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.742 -16.037 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.571 -14.001 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.463 -12.483 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.953 -13.466 -6.278 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.284 -11.190 -6.613 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.487 -9.827 -7.090 1.00 0.00 C ATOM 1200 C PHE A 77 -2.162 -9.195 -7.506 1.00 0.00 C ATOM 1201 O PHE A 77 -1.089 -9.719 -7.209 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.151 -8.978 -6.005 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.612 -9.236 -4.627 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -4.046 -10.327 -3.892 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.671 -8.387 -4.067 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.551 -10.568 -2.624 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.172 -8.622 -2.799 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.614 -9.713 -2.077 1.00 0.00 C ATOM 0 H PHE A 77 -2.552 -11.286 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.141 -9.867 -7.961 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.017 -7.924 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.224 -9.172 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.780 -10.997 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.323 -7.532 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.896 -11.423 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.438 -7.953 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.227 -9.898 -1.086 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.245 -8.063 -8.198 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.055 -7.357 -8.657 1.00 0.00 C ATOM 1220 C LYS A 78 -1.045 -5.920 -8.145 1.00 0.00 C ATOM 1221 O LYS A 78 -2.095 -5.297 -7.994 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.988 -7.366 -10.185 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.159 -6.663 -10.850 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.785 -6.133 -12.224 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.784 -5.096 -12.712 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.786 -3.880 -11.852 1.00 0.00 N ATOM 0 H LYS A 78 -3.125 -7.615 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.181 -7.873 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.061 -6.889 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.950 -8.398 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.996 -7.356 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.495 -5.839 -10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.789 -5.691 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.740 -6.959 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.544 -4.815 -13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.783 -5.532 -12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.154 -3.072 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.390 -4.044 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.816 -3.674 -11.540 1.00 0.00 H new ATOM 1240 N ALA A 79 0.149 -5.399 -7.882 1.00 0.00 N ATOM 1241 CA ALA A 79 0.296 -4.034 -7.391 1.00 0.00 C ATOM 1242 C ALA A 79 1.451 -3.322 -8.087 1.00 0.00 C ATOM 1243 O ALA A 79 2.617 -3.637 -7.853 1.00 0.00 O ATOM 1244 CB ALA A 79 0.504 -4.034 -5.884 1.00 0.00 C ATOM 0 H ALA A 79 1.029 -5.902 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.621 -3.491 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.612 -3.008 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.355 -4.496 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.405 -4.598 -5.641 1.00 0.00 H new ATOM 1250 N GLU A 80 1.118 -2.360 -8.943 1.00 0.00 N ATOM 1251 CA GLU A 80 2.129 -1.605 -9.673 1.00 0.00 C ATOM 1252 C GLU A 80 1.807 -0.114 -9.663 1.00 0.00 C ATOM 1253 O GLU A 80 0.641 0.281 -9.640 1.00 0.00 O ATOM 1254 CB GLU A 80 2.230 -2.106 -11.115 1.00 0.00 C ATOM 1255 CG GLU A 80 1.230 -1.456 -12.057 1.00 0.00 C ATOM 1256 CD GLU A 80 0.822 -2.369 -13.196 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.298 -3.467 -12.916 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.027 -1.986 -14.367 1.00 0.00 O ATOM 0 H GLU A 80 0.157 -2.086 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 80 3.087 -1.756 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.238 -1.921 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.079 -3.185 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.343 -1.165 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.662 -0.543 -12.466 1.00 0.00 H new ATOM 1265 N HIS A 81 2.850 0.711 -9.679 1.00 0.00 N ATOM 1266 CA HIS A 81 2.679 2.160 -9.671 1.00 0.00 C ATOM 1267 C HIS A 81 2.328 2.673 -11.065 1.00 0.00 C ATOM 1268 O HIS A 81 2.139 1.890 -11.996 1.00 0.00 O ATOM 1269 CB HIS A 81 3.951 2.842 -9.169 1.00 0.00 C ATOM 1270 CG HIS A 81 3.710 4.193 -8.570 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.233 5.355 -9.097 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.995 4.564 -7.482 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.852 6.382 -8.359 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.099 5.929 -7.373 1.00 0.00 N ATOM 0 H HIS A 81 3.822 0.401 -9.698 1.00 0.00 H new ATOM 0 HA HIS A 81 1.857 2.401 -8.997 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.426 2.203 -8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.652 2.941 -9.998 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.822 5.412 -9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.445 3.909 -6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.112 7.416 -8.532 1.00 0.00 H new ATOM 1316 N ARG A 85 7.117 -0.056 -10.902 1.00 0.00 N ATOM 1317 CA ARG A 85 7.343 -1.496 -10.859 1.00 0.00 C ATOM 1318 C ARG A 85 6.050 -2.240 -10.542 1.00 0.00 C ATOM 1319 O ARG A 85 5.164 -1.711 -9.870 1.00 0.00 O ATOM 1320 CB ARG A 85 8.409 -1.835 -9.815 1.00 0.00 C ATOM 1321 CG ARG A 85 8.880 -3.279 -9.873 1.00 0.00 C ATOM 1322 CD ARG A 85 10.067 -3.441 -10.809 1.00 0.00 C ATOM 1323 NE ARG A 85 9.649 -3.730 -12.178 1.00 0.00 N ATOM 1324 CZ ARG A 85 10.494 -3.832 -13.198 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.795 -3.670 -13.005 1.00 0.00 N ATOM 1326 NH2 ARG A 85 10.037 -4.098 -14.415 1.00 0.00 N ATOM 0 HA ARG A 85 7.692 -1.813 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.266 -1.176 -9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.010 -1.631 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.156 -3.613 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.062 -3.917 -10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.665 -2.530 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.706 -4.246 -10.448 1.00 0.00 H new ATOM 0 HE ARG A 85 8.654 -3.861 -12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.151 -3.466 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.441 -3.749 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.036 -4.224 -14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.686 -4.176 -15.198 1.00 0.00 H new ATOM 1340 N THR A 86 5.947 -3.472 -11.031 1.00 0.00 N ATOM 1341 CA THR A 86 4.762 -4.289 -10.801 1.00 0.00 C ATOM 1342 C THR A 86 5.026 -5.357 -9.746 1.00 0.00 C ATOM 1343 O THR A 86 6.104 -5.952 -9.707 1.00 0.00 O ATOM 1344 CB THR A 86 4.290 -4.971 -12.099 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.177 -4.004 -13.148 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.950 -5.661 -11.892 1.00 0.00 C ATOM 0 H THR A 86 6.670 -3.926 -11.589 1.00 0.00 H new ATOM 0 HA THR A 86 3.980 -3.618 -10.446 1.00 0.00 H new ATOM 0 HB THR A 86 5.029 -5.723 -12.377 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.878 -4.446 -13.970 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.637 -6.135 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.047 -6.418 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.204 -4.925 -11.592 1.00 0.00 H new ATOM 1354 N TYR A 87 4.037 -5.596 -8.893 1.00 0.00 N ATOM 1355 CA TYR A 87 4.164 -6.592 -7.836 1.00 0.00 C ATOM 1356 C TYR A 87 3.084 -7.663 -7.963 1.00 0.00 C ATOM 1357 O TYR A 87 2.024 -7.426 -8.543 1.00 0.00 O ATOM 1358 CB TYR A 87 4.075 -5.924 -6.463 1.00 0.00 C ATOM 1359 CG TYR A 87 5.273 -5.064 -6.129 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.627 -3.989 -6.934 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.052 -5.329 -5.009 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.722 -3.201 -6.634 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.147 -4.546 -4.700 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.478 -3.484 -5.515 1.00 0.00 C ATOM 1365 OH TYR A 87 8.570 -2.702 -5.212 1.00 0.00 O ATOM 0 H TYR A 87 3.138 -5.114 -8.913 1.00 0.00 H new ATOM 0 HA TYR A 87 5.138 -7.070 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.175 -5.310 -6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.967 -6.695 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.036 -3.765 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.797 -6.161 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.984 -2.369 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.741 -4.764 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 87 8.993 -3.034 -4.393 1.00 0.00 H new ATOM 1375 N PHE A 88 3.362 -8.842 -7.417 1.00 0.00 N ATOM 1376 CA PHE A 88 2.415 -9.950 -7.469 1.00 0.00 C ATOM 1377 C PHE A 88 2.399 -10.714 -6.148 1.00 0.00 C ATOM 1378 O PHE A 88 3.436 -11.179 -5.674 1.00 0.00 O ATOM 1379 CB PHE A 88 2.772 -10.899 -8.615 1.00 0.00 C ATOM 1380 CG PHE A 88 2.501 -10.324 -9.976 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.211 -10.282 -10.481 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.536 -9.825 -10.750 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.958 -9.753 -11.733 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.289 -9.294 -12.002 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.999 -9.259 -12.495 1.00 0.00 C ATOM 0 H PHE A 88 4.235 -9.055 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 88 1.421 -9.538 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.828 -11.161 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.206 -11.823 -8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.394 -10.667 -9.889 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.547 -9.851 -10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.052 -9.726 -12.115 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.104 -8.907 -12.595 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.805 -8.846 -13.474 1.00 0.00 H new ATOM 1395 N PHE A 89 1.215 -10.838 -5.558 1.00 0.00 N ATOM 1396 CA PHE A 89 1.063 -11.544 -4.291 1.00 0.00 C ATOM 1397 C PHE A 89 -0.079 -12.554 -4.364 1.00 0.00 C ATOM 1398 O PHE A 89 -1.181 -12.230 -4.809 1.00 0.00 O ATOM 1399 CB PHE A 89 0.806 -10.549 -3.157 1.00 0.00 C ATOM 1400 CG PHE A 89 1.778 -9.404 -3.133 1.00 0.00 C ATOM 1401 CD1 PHE A 89 3.093 -9.601 -2.747 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.375 -8.129 -3.499 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.989 -8.549 -2.724 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.266 -7.073 -3.478 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.575 -7.283 -3.091 1.00 0.00 C ATOM 0 H PHE A 89 0.347 -10.459 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 89 1.989 -12.083 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.206 -10.155 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.854 -11.076 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.423 -10.589 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.353 -7.959 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.012 -8.716 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.939 -6.084 -3.764 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.273 -6.459 -3.075 1.00 0.00 H new ATOM 1415 N SER A 90 0.193 -13.779 -3.926 1.00 0.00 N ATOM 1416 CA SER A 90 -0.809 -14.838 -3.946 1.00 0.00 C ATOM 1417 C SER A 90 -1.310 -15.138 -2.536 1.00 0.00 C ATOM 1418 O SER A 90 -0.519 -15.328 -1.612 1.00 0.00 O ATOM 1419 CB SER A 90 -0.229 -16.106 -4.574 1.00 0.00 C ATOM 1420 OG SER A 90 -1.143 -17.185 -4.482 1.00 0.00 O ATOM 0 H SER A 90 1.099 -14.063 -3.553 1.00 0.00 H new ATOM 0 HA SER A 90 -1.651 -14.496 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.014 -15.919 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.702 -16.370 -4.073 1.00 0.00 H new ATOM 0 HG SER A 90 -1.816 -17.105 -5.190 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.629 -15.180 -2.380 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.236 -15.460 -1.085 1.00 0.00 C ATOM 1428 C ALA A 91 -3.701 -16.909 -0.998 1.00 0.00 C ATOM 1429 O ALA A 91 -4.360 -17.415 -1.905 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.402 -14.514 -0.833 1.00 0.00 C ATOM 0 H ALA A 91 -3.297 -15.024 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.480 -15.302 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.846 -14.734 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.044 -13.485 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.152 -14.645 -1.613 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.352 -17.573 0.101 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.733 -18.966 0.304 1.00 0.00 C ATOM 1438 C GLU A 92 -5.226 -19.163 0.059 1.00 0.00 C ATOM 1439 O GLU A 92 -5.635 -20.096 -0.631 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.374 -19.413 1.723 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.911 -19.204 2.075 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.492 -19.977 3.310 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -2.019 -21.089 3.522 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.636 -19.469 4.065 1.00 0.00 O ATOM 0 H GLU A 92 -2.807 -17.169 0.863 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.182 -19.576 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.992 -18.865 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.619 -20.469 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.291 -19.510 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.728 -18.142 2.237 1.00 0.00 H new ATOM 1451 N SER A 93 -6.035 -18.277 0.631 1.00 0.00 N ATOM 1452 CA SER A 93 -7.484 -18.355 0.480 1.00 0.00 C ATOM 1453 C SER A 93 -8.005 -17.194 -0.362 1.00 0.00 C ATOM 1454 O SER A 93 -7.351 -16.162 -0.515 1.00 0.00 O ATOM 1455 CB SER A 93 -8.162 -18.352 1.851 1.00 0.00 C ATOM 1456 OG SER A 93 -8.317 -19.671 2.346 1.00 0.00 O ATOM 0 H SER A 93 -5.712 -17.497 1.203 1.00 0.00 H new ATOM 0 HA SER A 93 -7.722 -19.287 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.569 -17.764 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.137 -17.871 1.777 1.00 0.00 H new ATOM 0 HG SER A 93 -8.751 -19.642 3.224 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.213 -17.364 -0.920 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.851 -16.342 -1.754 1.00 0.00 C ATOM 1464 C PRO A 94 -10.287 -15.124 -0.947 1.00 0.00 C ATOM 1465 O PRO A 94 -10.289 -14.002 -1.452 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.070 -17.066 -2.332 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.374 -18.141 -1.347 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.049 -18.568 -0.778 1.00 0.00 C ATOM 0 HA PRO A 94 -9.171 -15.952 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.914 -16.387 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.854 -17.481 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.036 -17.775 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.881 -18.978 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.139 -18.874 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.631 -19.414 -1.324 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.657 -15.354 0.309 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.096 -14.274 1.185 1.00 0.00 C ATOM 1478 C GLU A 95 -9.986 -13.246 1.379 1.00 0.00 C ATOM 1479 O GLU A 95 -10.238 -12.041 1.391 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.531 -14.833 2.542 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.412 -15.527 3.301 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.915 -16.294 4.509 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.662 -17.277 4.317 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.563 -15.912 5.644 1.00 0.00 O ATOM 0 H GLU A 95 -10.662 -16.277 0.742 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.946 -13.781 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.922 -14.019 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.348 -15.539 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.894 -16.212 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.682 -14.785 3.625 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.757 -13.731 1.531 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.609 -12.853 1.726 1.00 0.00 C ATOM 1493 C GLU A 96 -7.347 -12.015 0.478 1.00 0.00 C ATOM 1494 O GLU A 96 -7.296 -10.787 0.543 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.365 -13.674 2.074 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.208 -13.940 3.561 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.394 -15.187 3.848 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.164 -15.154 3.636 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -5.988 -16.196 4.283 1.00 0.00 O ATOM 0 H GLU A 96 -8.531 -14.726 1.523 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.834 -12.180 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.409 -14.626 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.481 -13.149 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.728 -13.081 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.194 -14.042 4.014 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.180 -12.689 -0.656 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.922 -12.007 -1.918 1.00 0.00 C ATOM 1508 C GLN A 97 -7.726 -10.714 -2.013 1.00 0.00 C ATOM 1509 O GLN A 97 -7.159 -9.623 -2.072 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.264 -12.921 -3.096 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.219 -12.220 -4.444 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.187 -12.819 -5.445 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.152 -13.486 -5.071 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.935 -12.582 -6.727 1.00 0.00 N ATOM 0 H GLN A 97 -7.219 -13.706 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.862 -11.758 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.568 -13.759 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.260 -13.337 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.450 -11.164 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.207 -12.276 -4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.124 -12.024 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.553 -12.958 -7.446 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.049 -10.845 -2.028 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.930 -9.687 -2.117 1.00 0.00 C ATOM 1525 C GLU A 98 -9.649 -8.701 -0.986 1.00 0.00 C ATOM 1526 O GLU A 98 -9.493 -7.503 -1.217 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.394 -10.127 -2.072 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.788 -11.050 -3.213 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.207 -11.568 -3.082 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.452 -12.402 -2.184 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -14.071 -11.141 -3.875 1.00 0.00 O ATOM 0 H GLU A 98 -9.534 -11.741 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.737 -9.189 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.584 -10.632 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.031 -9.243 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.686 -10.517 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.099 -11.894 -3.247 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.586 -9.216 0.238 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.323 -8.383 1.405 1.00 0.00 C ATOM 1540 C ALA A 99 -8.153 -7.438 1.152 1.00 0.00 C ATOM 1541 O ALA A 99 -8.256 -6.233 1.380 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.048 -9.253 2.623 1.00 0.00 C ATOM 0 H ALA A 99 -9.714 -10.206 0.447 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.209 -7.778 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.853 -8.618 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.915 -9.883 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.179 -9.882 2.432 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.042 -7.993 0.681 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.852 -7.199 0.398 1.00 0.00 C ATOM 1550 C TRP A 100 -6.136 -6.155 -0.676 1.00 0.00 C ATOM 1551 O TRP A 100 -5.961 -4.957 -0.453 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.702 -8.105 -0.045 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.985 -8.757 1.098 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.190 -10.018 1.582 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.950 -8.180 1.902 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.344 -10.260 2.638 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.573 -9.148 2.853 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.304 -6.942 1.909 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.580 -8.913 3.801 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.319 -6.710 2.850 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.964 -7.691 3.785 1.00 0.00 C ATOM 0 H TRP A 100 -6.940 -8.989 0.487 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.565 -6.682 1.314 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.092 -8.877 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.989 -7.518 -0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.911 -10.721 1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.298 -11.126 3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.569 -6.179 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.306 -9.668 4.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.814 -5.756 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.189 -7.479 4.507 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.576 -6.618 -1.842 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.886 -5.723 -2.950 1.00 0.00 C ATOM 1574 C ILE A 101 -7.560 -4.448 -2.455 1.00 0.00 C ATOM 1575 O ILE A 101 -7.393 -3.379 -3.041 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.801 -6.404 -3.985 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.066 -7.563 -4.663 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.275 -5.394 -5.019 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.969 -8.452 -5.488 1.00 0.00 C ATOM 0 H ILE A 101 -6.726 -7.607 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.938 -5.470 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.674 -6.804 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.282 -7.160 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.574 -8.167 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.921 -5.891 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.831 -4.599 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.413 -4.968 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.380 -9.251 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.738 -8.884 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.441 -7.862 -6.274 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.320 -4.569 -1.371 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.018 -3.425 -0.797 1.00 0.00 C ATOM 1593 C GLN A 102 -8.164 -2.744 0.267 1.00 0.00 C ATOM 1594 O GLN A 102 -7.959 -1.531 0.230 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.352 -3.866 -0.191 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.340 -4.397 -1.217 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.233 -3.311 -1.785 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.043 -2.721 -1.069 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -12.089 -3.040 -3.077 1.00 0.00 N ATOM 0 H GLN A 102 -8.468 -5.447 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.209 -2.709 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.165 -4.639 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.802 -3.021 0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.792 -4.874 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.959 -5.166 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -11.405 -3.554 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -12.662 -2.318 -3.514 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.668 -3.533 1.215 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.834 -3.006 2.288 1.00 0.00 C ATOM 1610 C ALA A 103 -5.715 -2.130 1.735 1.00 0.00 C ATOM 1611 O ALA A 103 -5.625 -0.946 2.058 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.255 -4.145 3.114 1.00 0.00 C ATOM 0 H ALA A 103 -7.829 -4.539 1.261 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.460 -2.387 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.634 -3.737 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.067 -4.729 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.649 -4.786 2.475 1.00 0.00 H new ATOM 1618 N MET A 104 -4.866 -2.719 0.900 1.00 0.00 N ATOM 1619 CA MET A 104 -3.753 -1.991 0.302 1.00 0.00 C ATOM 1620 C MET A 104 -4.238 -1.092 -0.832 1.00 0.00 C ATOM 1621 O MET A 104 -3.721 0.006 -1.031 1.00 0.00 O ATOM 1622 CB MET A 104 -2.699 -2.967 -0.222 1.00 0.00 C ATOM 1623 CG MET A 104 -3.196 -3.848 -1.357 1.00 0.00 C ATOM 1624 SD MET A 104 -1.853 -4.657 -2.247 1.00 0.00 S ATOM 1625 CE MET A 104 -1.224 -5.759 -0.983 1.00 0.00 C ATOM 0 H MET A 104 -4.927 -3.698 0.622 1.00 0.00 H new ATOM 0 HA MET A 104 -3.306 -1.365 1.074 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.832 -2.403 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.363 -3.601 0.599 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.869 -4.606 -0.956 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.776 -3.243 -2.054 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.312 -6.239 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.005 -5.189 -0.080 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.971 -6.521 -0.760 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.235 -1.567 -1.572 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.773 -0.794 -2.677 1.00 0.00 C ATOM 1637 C GLY A 105 -6.252 0.577 -2.245 1.00 0.00 C ATOM 1638 O GLY A 105 -6.011 1.570 -2.931 1.00 0.00 O ATOM 0 H GLY A 105 -5.680 -2.473 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.008 -0.683 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.602 -1.339 -3.129 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.935 0.632 -1.106 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.452 1.893 -0.586 1.00 0.00 C ATOM 1644 C GLU A 106 -6.311 2.835 -0.210 1.00 0.00 C ATOM 1645 O GLU A 106 -6.393 4.043 -0.426 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.343 1.641 0.632 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.591 1.669 1.952 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.515 1.580 3.152 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.972 0.462 3.467 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.780 2.630 3.775 1.00 0.00 O ATOM 0 H GLU A 106 -7.143 -0.181 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.046 2.364 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.132 2.393 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.830 0.672 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.884 0.840 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.008 2.588 2.014 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.249 2.271 0.356 1.00 0.00 N ATOM 1658 CA ALA A 107 -4.092 3.059 0.762 1.00 0.00 C ATOM 1659 C ALA A 107 -3.344 3.601 -0.452 1.00 0.00 C ATOM 1660 O ALA A 107 -2.635 4.602 -0.359 1.00 0.00 O ATOM 1661 CB ALA A 107 -3.161 2.222 1.627 1.00 0.00 C ATOM 0 H ALA A 107 -5.166 1.272 0.544 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.448 3.908 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.301 2.823 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.694 1.888 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.820 1.355 1.061 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.508 2.933 -1.589 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.850 3.349 -2.821 1.00 0.00 C ATOM 1669 C ALA A 108 -3.743 4.281 -3.633 1.00 0.00 C ATOM 1670 O ALA A 108 -3.263 5.222 -4.265 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.461 2.133 -3.649 1.00 0.00 C ATOM 0 H ALA A 108 -4.091 2.101 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.946 3.896 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.971 2.459 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.778 1.506 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.355 1.562 -3.899 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.044 4.011 -3.613 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.004 4.825 -4.349 1.00 0.00 C ATOM 1679 C ARG A 109 -6.251 6.152 -3.638 1.00 0.00 C ATOM 1680 O ARG A 109 -5.735 6.389 -2.546 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.324 4.069 -4.514 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.271 4.234 -3.337 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.400 3.216 -3.383 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.468 3.539 -2.441 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.569 2.810 -2.300 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.746 1.721 -3.035 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.496 3.169 -1.421 1.00 0.00 N ATOM 0 H ARG A 109 -5.457 3.235 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.586 5.033 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.821 4.415 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.111 3.009 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.717 4.123 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.687 5.241 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.808 3.173 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.004 2.226 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.363 4.370 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.035 1.441 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.593 1.163 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.363 4.006 -0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.341 2.608 -1.314 1.00 0.00 H new