USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 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= 0.076 USER MOD Set 1.2: A 90 SER OG : rot 79:sc= 0.0802 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= -0.639 (180deg=-0.659) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= 0.789 (180deg=0.388) USER MOD Single : A 20 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.5) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -11:sc= -0.503 USER MOD Single : A 42 TYR OH : rot 130:sc= -0.698 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0731) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc=-0.00902 (180deg=-0.194) USER MOD Single : A 50 SER OG : rot 18:sc= 0.146 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.51) 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= -2.49! X(o=-2.5!,f=-2.3) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0.0972 (180deg=0.0368) USER MOD Single : A 81 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-1.1) USER MOD Single : A 86 THR OG1 : rot -95:sc= 0.00251 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= -2.69! C(o=-2.7!,f=-5.4!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 104 MET CE :methyl -167:sc= 0 (180deg=-0.255) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -1.001 -1.372 13.181 1.00 0.00 N ATOM 105 CA VAL A 11 -0.892 -2.154 11.954 1.00 0.00 C ATOM 106 C VAL A 11 -2.234 -2.242 11.238 1.00 0.00 C ATOM 107 O VAL A 11 -3.269 -2.483 11.861 1.00 0.00 O ATOM 108 CB VAL A 11 -0.380 -3.578 12.240 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.291 -4.382 10.952 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.969 -3.529 12.942 1.00 0.00 C ATOM 0 HA VAL A 11 -0.175 -1.640 11.313 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.090 -4.074 12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.073 -5.385 11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.278 -4.447 10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.397 -3.891 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.315 -4.544 13.136 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.691 -3.015 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.869 -2.993 13.886 1.00 0.00 H new ATOM 120 N THR A 12 -2.212 -2.046 9.923 1.00 0.00 N ATOM 121 CA THR A 12 -3.427 -2.102 9.121 1.00 0.00 C ATOM 122 C THR A 12 -3.787 -3.541 8.769 1.00 0.00 C ATOM 123 O THR A 12 -4.936 -3.958 8.915 1.00 0.00 O ATOM 124 CB THR A 12 -3.280 -1.289 7.821 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.746 0.007 8.111 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.622 -1.145 7.118 1.00 0.00 C ATOM 0 H THR A 12 -1.365 -1.847 9.391 1.00 0.00 H new ATOM 0 HA THR A 12 -4.224 -1.668 9.724 1.00 0.00 H new ATOM 0 HB THR A 12 -2.597 -1.823 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.654 0.517 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.493 -0.567 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.012 -2.133 6.872 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.324 -0.632 7.775 1.00 0.00 H new ATOM 134 N LYS A 13 -2.798 -4.297 8.304 1.00 0.00 N ATOM 135 CA LYS A 13 -3.009 -5.691 7.933 1.00 0.00 C ATOM 136 C LYS A 13 -1.699 -6.471 7.982 1.00 0.00 C ATOM 137 O LYS A 13 -0.620 -5.903 7.817 1.00 0.00 O ATOM 138 CB LYS A 13 -3.616 -5.780 6.531 1.00 0.00 C ATOM 139 CG LYS A 13 -4.213 -7.140 6.212 1.00 0.00 C ATOM 140 CD LYS A 13 -4.866 -7.155 4.841 1.00 0.00 C ATOM 141 CE LYS A 13 -5.835 -8.319 4.697 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.996 -8.191 5.620 1.00 0.00 N ATOM 0 H LYS A 13 -1.841 -3.967 8.175 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.701 -6.132 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.391 -5.020 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.846 -5.549 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.432 -7.899 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.951 -7.401 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.397 -6.217 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.097 -7.223 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.192 -8.369 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.312 -9.254 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.650 -8.985 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.660 -8.203 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.490 -7.295 5.434 1.00 0.00 H new ATOM 156 N ALA A 14 -1.801 -7.777 8.208 1.00 0.00 N ATOM 157 CA ALA A 14 -0.625 -8.635 8.275 1.00 0.00 C ATOM 158 C ALA A 14 -0.986 -10.086 7.974 1.00 0.00 C ATOM 159 O ALA A 14 -1.939 -10.628 8.533 1.00 0.00 O ATOM 160 CB ALA A 14 0.031 -8.526 9.643 1.00 0.00 C ATOM 0 H ALA A 14 -2.686 -8.264 8.348 1.00 0.00 H new ATOM 0 HA ALA A 14 0.083 -8.299 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.908 -9.172 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.333 -7.494 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.678 -8.834 10.412 1.00 0.00 H new ATOM 166 N GLY A 15 -0.219 -10.710 7.086 1.00 0.00 N ATOM 167 CA GLY A 15 -0.475 -12.092 6.725 1.00 0.00 C ATOM 168 C GLY A 15 0.578 -12.652 5.790 1.00 0.00 C ATOM 169 O GLY A 15 1.315 -11.900 5.153 1.00 0.00 O ATOM 0 H GLY A 15 0.576 -10.283 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.513 -12.699 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.454 -12.165 6.250 1.00 0.00 H new ATOM 173 N TRP A 16 0.650 -13.976 5.707 1.00 0.00 N ATOM 174 CA TRP A 16 1.622 -14.636 4.843 1.00 0.00 C ATOM 175 C TRP A 16 1.208 -14.532 3.379 1.00 0.00 C ATOM 176 O TRP A 16 0.194 -15.098 2.968 1.00 0.00 O ATOM 177 CB TRP A 16 1.773 -16.105 5.240 1.00 0.00 C ATOM 178 CG TRP A 16 2.512 -16.299 6.529 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.966 -16.469 7.769 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.932 -16.340 6.705 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.961 -16.614 8.706 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.176 -16.540 8.078 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.021 -16.231 5.837 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.464 -16.630 8.600 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.299 -16.320 6.356 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.512 -16.519 7.727 1.00 0.00 C ATOM 0 H TRP A 16 0.047 -14.613 6.227 1.00 0.00 H new ATOM 0 HA TRP A 16 2.581 -14.133 4.966 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.784 -16.554 5.326 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.297 -16.637 4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.907 -16.487 7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.818 -16.754 9.706 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.867 -16.080 4.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.630 -16.782 9.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.148 -16.235 5.694 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.523 -16.586 8.102 1.00 0.00 H new ATOM 197 N LEU A 17 1.999 -13.807 2.595 1.00 0.00 N ATOM 198 CA LEU A 17 1.714 -13.629 1.176 1.00 0.00 C ATOM 199 C LEU A 17 2.885 -14.105 0.322 1.00 0.00 C ATOM 200 O LEU A 17 4.046 -13.946 0.698 1.00 0.00 O ATOM 201 CB LEU A 17 1.414 -12.159 0.875 1.00 0.00 C ATOM 202 CG LEU A 17 -0.014 -11.694 1.162 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.127 -10.186 0.999 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.000 -12.406 0.247 1.00 0.00 C ATOM 0 H LEU A 17 2.842 -13.333 2.918 1.00 0.00 H new ATOM 0 HA LEU A 17 0.839 -14.230 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.099 -11.542 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.631 -11.972 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.258 -11.947 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.150 -9.873 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.552 -9.693 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.136 -9.910 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.011 -12.063 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.758 -12.184 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.938 -13.482 0.412 1.00 0.00 H new ATOM 216 N PHE A 18 2.572 -14.689 -0.830 1.00 0.00 N ATOM 217 CA PHE A 18 3.598 -15.188 -1.738 1.00 0.00 C ATOM 218 C PHE A 18 3.971 -14.129 -2.771 1.00 0.00 C ATOM 219 O PHE A 18 3.108 -13.590 -3.465 1.00 0.00 O ATOM 220 CB PHE A 18 3.112 -16.456 -2.444 1.00 0.00 C ATOM 221 CG PHE A 18 3.126 -17.674 -1.565 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.434 -17.687 -0.365 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.832 -18.806 -1.939 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.446 -18.806 0.446 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.848 -19.928 -1.132 1.00 0.00 C ATOM 226 CZ PHE A 18 3.153 -19.929 0.061 1.00 0.00 C ATOM 0 H PHE A 18 1.616 -14.828 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 18 4.484 -15.425 -1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.098 -16.293 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.739 -16.640 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.879 -16.812 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.376 -18.812 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.903 -18.803 1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.404 -20.803 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.162 -20.806 0.692 1.00 0.00 H new ATOM 236 N LYS A 19 5.263 -13.835 -2.868 1.00 0.00 N ATOM 237 CA LYS A 19 5.753 -12.841 -3.816 1.00 0.00 C ATOM 238 C LYS A 19 6.433 -13.513 -5.005 1.00 0.00 C ATOM 239 O LYS A 19 7.251 -14.416 -4.834 1.00 0.00 O ATOM 240 CB LYS A 19 6.732 -11.888 -3.127 1.00 0.00 C ATOM 241 CG LYS A 19 6.906 -10.565 -3.853 1.00 0.00 C ATOM 242 CD LYS A 19 8.134 -9.817 -3.362 1.00 0.00 C ATOM 243 CE LYS A 19 8.097 -8.354 -3.775 1.00 0.00 C ATOM 244 NZ LYS A 19 8.628 -8.152 -5.151 1.00 0.00 N ATOM 0 H LYS A 19 5.990 -14.271 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 19 4.898 -12.272 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.383 -11.693 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.703 -12.377 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.993 -10.746 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.020 -9.948 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.195 -9.888 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.032 -10.287 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.071 -7.988 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.681 -7.763 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.234 -7.276 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.665 -8.080 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.357 -8.958 -5.750 1.00 0.00 H new ATOM 258 N GLN A 20 6.091 -13.064 -6.208 1.00 0.00 N ATOM 259 CA GLN A 20 6.670 -13.621 -7.424 1.00 0.00 C ATOM 260 C GLN A 20 8.170 -13.353 -7.486 1.00 0.00 C ATOM 261 O GLN A 20 8.633 -12.276 -7.112 1.00 0.00 O ATOM 262 CB GLN A 20 5.983 -13.033 -8.658 1.00 0.00 C ATOM 263 CG GLN A 20 6.053 -13.933 -9.881 1.00 0.00 C ATOM 264 CD GLN A 20 5.147 -13.464 -11.003 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.890 -12.269 -11.151 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.657 -14.406 -11.801 1.00 0.00 N ATOM 0 H GLN A 20 5.416 -12.316 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 20 6.513 -14.700 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.937 -12.836 -8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.442 -12.074 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.081 -13.971 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.777 -14.948 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.896 -15.385 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.041 -14.151 -12.573 1.00 0.00 H new ATOM 275 N ALA A 21 8.924 -14.339 -7.960 1.00 0.00 N ATOM 276 CA ALA A 21 10.371 -14.208 -8.072 1.00 0.00 C ATOM 277 C ALA A 21 10.748 -13.061 -9.003 1.00 0.00 C ATOM 278 O ALA A 21 9.987 -12.702 -9.901 1.00 0.00 O ATOM 279 CB ALA A 21 10.983 -15.512 -8.563 1.00 0.00 C ATOM 0 H ALA A 21 8.556 -15.238 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 21 10.768 -13.983 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.064 -15.399 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.752 -16.311 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.572 -15.761 -9.541 1.00 0.00 H new ATOM 352 N GLN A 27 8.568 -18.617 -10.426 1.00 0.00 N ATOM 353 CA GLN A 27 8.172 -19.288 -9.194 1.00 0.00 C ATOM 354 C GLN A 27 7.650 -18.285 -8.171 1.00 0.00 C ATOM 355 O GLN A 27 7.695 -17.075 -8.395 1.00 0.00 O ATOM 356 CB GLN A 27 9.354 -20.063 -8.609 1.00 0.00 C ATOM 357 CG GLN A 27 10.434 -19.171 -8.019 1.00 0.00 C ATOM 358 CD GLN A 27 11.452 -19.947 -7.206 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.058 -20.901 -7.696 1.00 0.00 O ATOM 360 NE2 GLN A 27 11.646 -19.541 -5.957 1.00 0.00 N ATOM 0 HA GLN A 27 7.370 -19.987 -9.432 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.988 -20.737 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.793 -20.683 -9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.944 -18.643 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.970 -18.415 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.122 -18.746 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.319 -20.024 -5.362 1.00 0.00 H new ATOM 369 N TRP A 28 7.156 -18.795 -7.049 1.00 0.00 N ATOM 370 CA TRP A 28 6.624 -17.942 -5.991 1.00 0.00 C ATOM 371 C TRP A 28 7.250 -18.291 -4.645 1.00 0.00 C ATOM 372 O TRP A 28 7.346 -19.462 -4.280 1.00 0.00 O ATOM 373 CB TRP A 28 5.103 -18.081 -5.912 1.00 0.00 C ATOM 374 CG TRP A 28 4.399 -17.609 -7.148 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.425 -18.195 -8.381 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.564 -16.452 -7.269 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.658 -17.472 -9.262 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.118 -16.398 -8.604 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.149 -15.457 -6.380 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.280 -15.389 -9.069 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.317 -14.455 -6.843 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.889 -14.427 -8.177 1.00 0.00 C ATOM 0 H TRP A 28 7.112 -19.794 -6.848 1.00 0.00 H new ATOM 0 HA TRP A 28 6.875 -16.909 -6.230 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.849 -19.126 -5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.737 -17.515 -5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.969 -19.095 -8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.514 -17.698 -10.246 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.473 -15.471 -5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.950 -15.366 -10.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.991 -13.680 -6.165 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.238 -13.631 -8.508 1.00 0.00 H new ATOM 393 N ASN A 29 7.675 -17.267 -3.912 1.00 0.00 N ATOM 394 CA ASN A 29 8.292 -17.467 -2.606 1.00 0.00 C ATOM 395 C ASN A 29 7.433 -16.861 -1.500 1.00 0.00 C ATOM 396 O ASN A 29 7.015 -15.706 -1.584 1.00 0.00 O ATOM 397 CB ASN A 29 9.690 -16.845 -2.578 1.00 0.00 C ATOM 398 CG ASN A 29 9.714 -15.450 -3.172 1.00 0.00 C ATOM 399 OD1 ASN A 29 9.586 -14.456 -2.456 1.00 0.00 O ATOM 400 ND2 ASN A 29 9.878 -15.369 -4.487 1.00 0.00 N ATOM 0 H ASN A 29 7.603 -16.291 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 29 8.375 -18.540 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.046 -16.805 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.380 -17.484 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.902 -14.457 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.980 -16.219 -5.042 1.00 0.00 H new ATOM 407 N LYS A 30 7.172 -17.650 -0.462 1.00 0.00 N ATOM 408 CA LYS A 30 6.364 -17.193 0.662 1.00 0.00 C ATOM 409 C LYS A 30 7.123 -16.165 1.496 1.00 0.00 C ATOM 410 O LYS A 30 8.324 -16.306 1.728 1.00 0.00 O ATOM 411 CB LYS A 30 5.959 -18.379 1.541 1.00 0.00 C ATOM 412 CG LYS A 30 5.171 -17.979 2.776 1.00 0.00 C ATOM 413 CD LYS A 30 4.883 -19.177 3.665 1.00 0.00 C ATOM 414 CE LYS A 30 3.591 -18.993 4.447 1.00 0.00 C ATOM 415 NZ LYS A 30 3.110 -20.275 5.033 1.00 0.00 N ATOM 0 H LYS A 30 7.509 -18.609 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 30 5.466 -16.720 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.362 -19.073 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.857 -18.914 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.730 -17.232 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.232 -17.514 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.815 -20.077 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.711 -19.325 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.749 -18.266 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.824 -18.584 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.228 -20.107 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.935 -20.961 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.831 -20.653 5.680 1.00 0.00 H new ATOM 429 N ARG A 31 6.415 -15.134 1.944 1.00 0.00 N ATOM 430 CA ARG A 31 7.023 -14.083 2.751 1.00 0.00 C ATOM 431 C ARG A 31 5.969 -13.363 3.588 1.00 0.00 C ATOM 432 O ARG A 31 4.841 -13.158 3.140 1.00 0.00 O ATOM 433 CB ARG A 31 7.753 -13.080 1.856 1.00 0.00 C ATOM 434 CG ARG A 31 8.953 -12.429 2.524 1.00 0.00 C ATOM 435 CD ARG A 31 10.190 -13.309 2.425 1.00 0.00 C ATOM 436 NE ARG A 31 10.660 -13.440 1.049 1.00 0.00 N ATOM 437 CZ ARG A 31 11.352 -12.499 0.416 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.652 -11.364 1.033 1.00 0.00 N ATOM 439 NH2 ARG A 31 11.745 -12.692 -0.836 1.00 0.00 N ATOM 0 H ARG A 31 5.420 -15.004 1.762 1.00 0.00 H new ATOM 0 HA ARG A 31 7.743 -14.547 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.083 -13.588 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.053 -12.303 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.153 -11.465 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.726 -12.234 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.985 -12.888 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.965 -14.297 2.827 1.00 0.00 H new ATOM 0 HE ARG A 31 10.445 -14.301 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.351 -11.212 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.183 -10.643 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.516 -13.564 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.276 -11.969 -1.321 1.00 0.00 H new ATOM 453 N TRP A 32 6.346 -12.982 4.803 1.00 0.00 N ATOM 454 CA TRP A 32 5.433 -12.284 5.702 1.00 0.00 C ATOM 455 C TRP A 32 5.245 -10.834 5.270 1.00 0.00 C ATOM 456 O TRP A 32 6.199 -10.057 5.238 1.00 0.00 O ATOM 457 CB TRP A 32 5.959 -12.337 7.138 1.00 0.00 C ATOM 458 CG TRP A 32 5.037 -11.699 8.132 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.254 -10.545 8.828 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.753 -12.182 8.542 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.183 -10.280 9.646 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.248 -11.269 9.489 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.979 -13.294 8.200 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.006 -11.438 10.096 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.748 -13.460 8.804 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.270 -12.536 9.743 1.00 0.00 C ATOM 0 H TRP A 32 7.276 -13.144 5.188 1.00 0.00 H new ATOM 0 HA TRP A 32 4.466 -12.785 5.657 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.122 -13.377 7.420 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.928 -11.840 7.181 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.138 -9.930 8.747 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.098 -9.477 10.269 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.337 -14.011 7.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.637 -10.727 10.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.143 -14.317 8.548 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.303 -12.694 10.196 1.00 0.00 H new ATOM 477 N PHE A 33 4.009 -10.476 4.938 1.00 0.00 N ATOM 478 CA PHE A 33 3.696 -9.119 4.507 1.00 0.00 C ATOM 479 C PHE A 33 2.815 -8.412 5.532 1.00 0.00 C ATOM 480 O PHE A 33 1.866 -8.994 6.059 1.00 0.00 O ATOM 481 CB PHE A 33 2.997 -9.142 3.146 1.00 0.00 C ATOM 482 CG PHE A 33 3.945 -9.276 1.988 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.357 -10.526 1.555 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.422 -8.153 1.333 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.229 -10.653 0.490 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.293 -8.274 0.266 1.00 0.00 C ATOM 487 CZ PHE A 33 5.698 -9.525 -0.155 1.00 0.00 C ATOM 0 H PHE A 33 3.208 -11.107 4.959 1.00 0.00 H new ATOM 0 HA PHE A 33 4.632 -8.568 4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.289 -9.971 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.419 -8.226 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.993 -11.411 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.110 -7.172 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.543 -11.633 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.656 -7.390 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.380 -9.621 -0.987 1.00 0.00 H new ATOM 497 N VAL A 34 3.135 -7.152 5.811 1.00 0.00 N ATOM 498 CA VAL A 34 2.372 -6.364 6.772 1.00 0.00 C ATOM 499 C VAL A 34 2.088 -4.966 6.235 1.00 0.00 C ATOM 500 O VAL A 34 2.951 -4.087 6.272 1.00 0.00 O ATOM 501 CB VAL A 34 3.117 -6.245 8.115 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.340 -5.362 9.080 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.356 -7.622 8.715 1.00 0.00 C ATOM 0 H VAL A 34 3.917 -6.655 5.385 1.00 0.00 H new ATOM 0 HA VAL A 34 1.429 -6.886 6.932 1.00 0.00 H new ATOM 0 HB VAL A 34 4.086 -5.780 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.881 -5.290 10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.225 -4.367 8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.356 -5.796 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.883 -7.519 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.399 -8.116 8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.957 -8.219 8.029 1.00 0.00 H new ATOM 513 N LEU A 35 0.874 -4.766 5.735 1.00 0.00 N ATOM 514 CA LEU A 35 0.475 -3.473 5.190 1.00 0.00 C ATOM 515 C LEU A 35 0.486 -2.398 6.272 1.00 0.00 C ATOM 516 O LEU A 35 -0.154 -2.544 7.314 1.00 0.00 O ATOM 517 CB LEU A 35 -0.919 -3.569 4.566 1.00 0.00 C ATOM 518 CG LEU A 35 -1.657 -2.245 4.366 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.955 -1.395 3.319 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.105 -2.497 3.968 1.00 0.00 C ATOM 0 H LEU A 35 0.149 -5.482 5.696 1.00 0.00 H new ATOM 0 HA LEU A 35 1.194 -3.194 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.829 -4.062 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.533 -4.213 5.195 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.649 -1.701 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.495 -0.457 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.064 -1.186 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.930 -1.932 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.615 -1.544 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.133 -3.062 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.604 -3.066 4.753 1.00 0.00 H new ATOM 532 N VAL A 36 1.217 -1.317 6.018 1.00 0.00 N ATOM 533 CA VAL A 36 1.310 -0.216 6.969 1.00 0.00 C ATOM 534 C VAL A 36 0.673 1.050 6.407 1.00 0.00 C ATOM 535 O VAL A 36 0.064 1.029 5.337 1.00 0.00 O ATOM 536 CB VAL A 36 2.774 0.081 7.342 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.374 1.099 6.383 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.868 0.571 8.779 1.00 0.00 C ATOM 0 H VAL A 36 1.753 -1.180 5.161 1.00 0.00 H new ATOM 0 HA VAL A 36 0.770 -0.524 7.864 1.00 0.00 H new ATOM 0 HB VAL A 36 3.347 -0.843 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.409 1.296 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.341 0.705 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.802 2.026 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.910 0.776 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.282 1.483 8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.480 -0.195 9.451 1.00 0.00 H new ATOM 548 N ASP A 37 0.818 2.152 7.135 1.00 0.00 N ATOM 549 CA ASP A 37 0.258 3.429 6.708 1.00 0.00 C ATOM 550 C ASP A 37 0.778 3.817 5.328 1.00 0.00 C ATOM 551 O ASP A 37 1.987 3.890 5.107 1.00 0.00 O ATOM 552 CB ASP A 37 0.599 4.523 7.721 1.00 0.00 C ATOM 553 CG ASP A 37 -0.466 5.600 7.791 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.594 5.291 8.228 1.00 0.00 O ATOM 555 OD2 ASP A 37 -0.170 6.752 7.410 1.00 0.00 O ATOM 0 H ASP A 37 1.318 2.187 8.023 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.825 3.322 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.724 4.075 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.553 4.977 7.454 1.00 0.00 H new ATOM 560 N ARG A 38 -0.143 4.062 4.402 1.00 0.00 N ATOM 561 CA ARG A 38 0.223 4.440 3.042 1.00 0.00 C ATOM 562 C ARG A 38 1.529 3.771 2.625 1.00 0.00 C ATOM 563 O ARG A 38 2.341 4.363 1.912 1.00 0.00 O ATOM 564 CB ARG A 38 0.357 5.960 2.930 1.00 0.00 C ATOM 565 CG ARG A 38 -0.960 6.701 3.095 1.00 0.00 C ATOM 566 CD ARG A 38 -0.973 7.996 2.298 1.00 0.00 C ATOM 567 NE ARG A 38 -1.855 8.996 2.894 1.00 0.00 N ATOM 568 CZ ARG A 38 -1.737 10.302 2.680 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.779 10.763 1.888 1.00 0.00 N ATOM 570 NH2 ARG A 38 -2.579 11.149 3.258 1.00 0.00 N ATOM 0 H ARG A 38 -1.148 4.006 4.568 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.568 4.102 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.059 6.311 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.785 6.208 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.781 6.063 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.126 6.920 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.040 8.395 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.295 7.790 1.277 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.603 8.674 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.130 10.115 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.690 11.766 1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.318 10.798 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.488 12.151 3.093 1.00 0.00 H new ATOM 584 N CYS A 39 1.725 2.536 3.073 1.00 0.00 N ATOM 585 CA CYS A 39 2.934 1.788 2.748 1.00 0.00 C ATOM 586 C CYS A 39 2.806 0.332 3.184 1.00 0.00 C ATOM 587 O CYS A 39 1.845 -0.043 3.858 1.00 0.00 O ATOM 588 CB CYS A 39 4.151 2.428 3.416 1.00 0.00 C ATOM 589 SG CYS A 39 5.689 2.240 2.485 1.00 0.00 S ATOM 0 H CYS A 39 1.062 2.032 3.662 1.00 0.00 H new ATOM 0 HA CYS A 39 3.068 1.814 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.955 3.490 3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.282 1.989 4.405 1.00 0.00 H new ATOM 0 HG CYS A 39 5.509 1.393 1.515 1.00 0.00 H new ATOM 595 N LEU A 40 3.778 -0.485 2.795 1.00 0.00 N ATOM 596 CA LEU A 40 3.774 -1.901 3.144 1.00 0.00 C ATOM 597 C LEU A 40 5.195 -2.415 3.351 1.00 0.00 C ATOM 598 O LEU A 40 6.121 -2.014 2.645 1.00 0.00 O ATOM 599 CB LEU A 40 3.079 -2.714 2.051 1.00 0.00 C ATOM 600 CG LEU A 40 3.401 -4.209 2.019 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.601 -4.950 3.078 1.00 0.00 C ATOM 602 CD2 LEU A 40 3.123 -4.785 0.638 1.00 0.00 C ATOM 0 H LEU A 40 4.580 -0.191 2.237 1.00 0.00 H new ATOM 0 HA LEU A 40 3.226 -2.018 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.002 -2.597 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.342 -2.285 1.084 1.00 0.00 H new ATOM 0 HG LEU A 40 4.461 -4.337 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.843 -6.012 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.849 -4.556 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.536 -4.814 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.358 -5.849 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.071 -4.644 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.741 -4.274 -0.100 1.00 0.00 H new ATOM 614 N PHE A 41 5.361 -3.308 4.321 1.00 0.00 N ATOM 615 CA PHE A 41 6.669 -3.879 4.620 1.00 0.00 C ATOM 616 C PHE A 41 6.597 -5.402 4.682 1.00 0.00 C ATOM 617 O PHE A 41 5.563 -5.971 5.031 1.00 0.00 O ATOM 618 CB PHE A 41 7.199 -3.328 5.946 1.00 0.00 C ATOM 619 CG PHE A 41 7.576 -1.875 5.883 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.823 -1.490 5.418 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.684 -0.896 6.289 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.173 -0.154 5.360 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.029 0.441 6.234 1.00 0.00 C ATOM 624 CZ PHE A 41 8.275 0.813 5.767 1.00 0.00 C ATOM 0 H PHE A 41 4.606 -3.652 4.914 1.00 0.00 H new ATOM 0 HA PHE A 41 7.352 -3.597 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.440 -3.465 6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.070 -3.909 6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.529 -2.242 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.708 -1.181 6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.148 0.134 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.325 1.194 6.556 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.546 1.857 5.720 1.00 0.00 H new ATOM 634 N TYR A 42 7.702 -6.054 4.339 1.00 0.00 N ATOM 635 CA TYR A 42 7.764 -7.511 4.352 1.00 0.00 C ATOM 636 C TYR A 42 9.008 -7.997 5.090 1.00 0.00 C ATOM 637 O TYR A 42 10.062 -7.362 5.038 1.00 0.00 O ATOM 638 CB TYR A 42 7.760 -8.055 2.922 1.00 0.00 C ATOM 639 CG TYR A 42 9.023 -7.743 2.152 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.108 -8.611 2.177 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.132 -6.581 1.399 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.264 -8.329 1.476 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.284 -6.291 0.693 1.00 0.00 C ATOM 644 CZ TYR A 42 11.347 -7.169 0.735 1.00 0.00 C ATOM 645 OH TYR A 42 12.497 -6.885 0.034 1.00 0.00 O ATOM 0 H TYR A 42 8.567 -5.597 4.049 1.00 0.00 H new ATOM 0 HA TYR A 42 6.884 -7.882 4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.621 -9.136 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.906 -7.640 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.046 -9.522 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.301 -5.892 1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.099 -9.013 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.352 -5.383 0.112 1.00 0.00 H new ATOM 0 HH TYR A 42 12.268 -6.654 -0.890 1.00 0.00 H new ATOM 655 N TYR A 43 8.877 -9.127 5.776 1.00 0.00 N ATOM 656 CA TYR A 43 9.989 -9.698 6.527 1.00 0.00 C ATOM 657 C TYR A 43 10.167 -11.176 6.195 1.00 0.00 C ATOM 658 O TYR A 43 9.237 -11.838 5.733 1.00 0.00 O ATOM 659 CB TYR A 43 9.760 -9.524 8.029 1.00 0.00 C ATOM 660 CG TYR A 43 9.215 -8.165 8.405 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.897 -7.822 8.133 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.020 -7.223 9.035 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.396 -6.581 8.474 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.527 -5.980 9.382 1.00 0.00 C ATOM 665 CZ TYR A 43 8.215 -5.663 9.099 1.00 0.00 C ATOM 666 OH TYR A 43 7.719 -4.426 9.442 1.00 0.00 O ATOM 0 H TYR A 43 8.012 -9.666 5.828 1.00 0.00 H new ATOM 0 HA TYR A 43 10.898 -9.168 6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.067 -10.292 8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.702 -9.686 8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.252 -8.539 7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.048 -7.467 9.257 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.369 -6.330 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.166 -5.260 9.872 1.00 0.00 H new ATOM 0 HH TYR A 43 8.423 -3.900 9.875 1.00 0.00 H new ATOM 676 N LYS A 44 11.369 -11.689 6.436 1.00 0.00 N ATOM 677 CA LYS A 44 11.672 -13.090 6.166 1.00 0.00 C ATOM 678 C LYS A 44 10.616 -14.003 6.781 1.00 0.00 C ATOM 679 O LYS A 44 10.211 -14.995 6.175 1.00 0.00 O ATOM 680 CB LYS A 44 13.054 -13.449 6.716 1.00 0.00 C ATOM 681 CG LYS A 44 13.756 -14.542 5.929 1.00 0.00 C ATOM 682 CD LYS A 44 14.242 -14.035 4.581 1.00 0.00 C ATOM 683 CE LYS A 44 15.475 -14.792 4.113 1.00 0.00 C ATOM 684 NZ LYS A 44 16.692 -14.395 4.874 1.00 0.00 N ATOM 0 H LYS A 44 12.150 -11.155 6.818 1.00 0.00 H new ATOM 0 HA LYS A 44 11.668 -13.235 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.679 -12.556 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.951 -13.768 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.602 -14.919 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.074 -15.379 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.447 -14.141 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.472 -12.972 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.309 -15.863 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.634 -14.606 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.539 -14.730 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.726 -13.359 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.661 -14.819 5.823 1.00 0.00 H new ATOM 698 N ASP A 45 10.173 -13.661 7.986 1.00 0.00 N ATOM 699 CA ASP A 45 9.162 -14.448 8.681 1.00 0.00 C ATOM 700 C ASP A 45 8.394 -13.588 9.679 1.00 0.00 C ATOM 701 O ASP A 45 8.621 -12.382 9.777 1.00 0.00 O ATOM 702 CB ASP A 45 9.812 -15.630 9.403 1.00 0.00 C ATOM 703 CG ASP A 45 11.219 -15.317 9.874 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.455 -14.175 10.319 1.00 0.00 O ATOM 705 OD2 ASP A 45 12.084 -16.215 9.796 1.00 0.00 O ATOM 0 H ASP A 45 10.499 -12.843 8.502 1.00 0.00 H new ATOM 0 HA ASP A 45 8.459 -14.827 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.199 -15.911 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.839 -16.491 8.734 1.00 0.00 H new ATOM 710 N GLU A 46 7.483 -14.215 10.417 1.00 0.00 N ATOM 711 CA GLU A 46 6.681 -13.505 11.406 1.00 0.00 C ATOM 712 C GLU A 46 7.563 -12.646 12.307 1.00 0.00 C ATOM 713 O GLU A 46 7.215 -11.512 12.637 1.00 0.00 O ATOM 714 CB GLU A 46 5.881 -14.497 12.253 1.00 0.00 C ATOM 715 CG GLU A 46 6.732 -15.589 12.879 1.00 0.00 C ATOM 716 CD GLU A 46 7.263 -15.203 14.246 1.00 0.00 C ATOM 717 OE1 GLU A 46 6.585 -14.425 14.948 1.00 0.00 O ATOM 718 OE2 GLU A 46 8.356 -15.681 14.613 1.00 0.00 O ATOM 0 H GLU A 46 7.282 -15.213 10.348 1.00 0.00 H new ATOM 0 HA GLU A 46 5.990 -12.851 10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.365 -13.953 13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.114 -14.958 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.140 -16.500 12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.569 -15.815 12.219 1.00 0.00 H new ATOM 725 N LYS A 47 8.707 -13.194 12.702 1.00 0.00 N ATOM 726 CA LYS A 47 9.640 -12.479 13.565 1.00 0.00 C ATOM 727 C LYS A 47 9.676 -10.995 13.216 1.00 0.00 C ATOM 728 O LYS A 47 9.908 -10.151 14.081 1.00 0.00 O ATOM 729 CB LYS A 47 11.043 -13.078 13.438 1.00 0.00 C ATOM 730 CG LYS A 47 11.141 -14.510 13.935 1.00 0.00 C ATOM 731 CD LYS A 47 12.561 -14.864 14.341 1.00 0.00 C ATOM 732 CE LYS A 47 12.660 -16.302 14.828 1.00 0.00 C ATOM 733 NZ LYS A 47 12.326 -17.276 13.752 1.00 0.00 N ATOM 0 H LYS A 47 9.011 -14.131 12.438 1.00 0.00 H new ATOM 0 HA LYS A 47 9.298 -12.583 14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.350 -13.043 12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.745 -12.459 13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.474 -14.647 14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.805 -15.191 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.230 -14.719 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.894 -14.188 15.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.670 -16.494 15.191 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.985 -16.447 15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.613 -18.231 14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.301 -17.261 13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.830 -17.017 12.880 1.00 0.00 H new ATOM 747 N GLU A 48 9.444 -10.685 11.944 1.00 0.00 N ATOM 748 CA GLU A 48 9.449 -9.301 11.483 1.00 0.00 C ATOM 749 C GLU A 48 10.423 -8.459 12.302 1.00 0.00 C ATOM 750 O GLU A 48 10.089 -7.359 12.741 1.00 0.00 O ATOM 751 CB GLU A 48 8.042 -8.706 11.571 1.00 0.00 C ATOM 752 CG GLU A 48 7.559 -8.496 12.996 1.00 0.00 C ATOM 753 CD GLU A 48 6.046 -8.501 13.106 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.459 -9.601 13.158 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.451 -7.404 13.140 1.00 0.00 O ATOM 0 H GLU A 48 9.251 -11.372 11.215 1.00 0.00 H new ATOM 0 HA GLU A 48 9.774 -9.292 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.027 -7.751 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.345 -9.365 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.969 -9.279 13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.944 -7.547 13.370 1.00 0.00 H new ATOM 762 N GLU A 49 11.627 -8.984 12.503 1.00 0.00 N ATOM 763 CA GLU A 49 12.648 -8.281 13.270 1.00 0.00 C ATOM 764 C GLU A 49 13.345 -7.228 12.412 1.00 0.00 C ATOM 765 O GLU A 49 13.412 -6.056 12.781 1.00 0.00 O ATOM 766 CB GLU A 49 13.679 -9.271 13.817 1.00 0.00 C ATOM 767 CG GLU A 49 13.197 -10.038 15.037 1.00 0.00 C ATOM 768 CD GLU A 49 13.021 -9.149 16.253 1.00 0.00 C ATOM 769 OE1 GLU A 49 13.917 -8.320 16.516 1.00 0.00 O ATOM 770 OE2 GLU A 49 11.988 -9.282 16.942 1.00 0.00 O ATOM 0 H GLU A 49 11.919 -9.893 12.145 1.00 0.00 H new ATOM 0 HA GLU A 49 12.157 -7.779 14.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.941 -9.981 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.589 -8.730 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.248 -10.523 14.805 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.910 -10.829 15.270 1.00 0.00 H new ATOM 777 N SER A 50 13.862 -7.656 11.264 1.00 0.00 N ATOM 778 CA SER A 50 14.557 -6.752 10.355 1.00 0.00 C ATOM 779 C SER A 50 13.834 -6.669 9.014 1.00 0.00 C ATOM 780 O SER A 50 13.481 -7.690 8.423 1.00 0.00 O ATOM 781 CB SER A 50 15.998 -7.218 10.143 1.00 0.00 C ATOM 782 OG SER A 50 16.038 -8.468 9.476 1.00 0.00 O ATOM 0 H SER A 50 13.813 -8.623 10.942 1.00 0.00 H new ATOM 0 HA SER A 50 14.566 -5.759 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.542 -6.474 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.502 -7.300 11.106 1.00 0.00 H new ATOM 0 HG SER A 50 15.173 -8.638 9.048 1.00 0.00 H new ATOM 788 N ILE A 51 13.619 -5.447 8.540 1.00 0.00 N ATOM 789 CA ILE A 51 12.940 -5.229 7.269 1.00 0.00 C ATOM 790 C ILE A 51 13.894 -5.426 6.095 1.00 0.00 C ATOM 791 O ILE A 51 15.009 -4.904 6.094 1.00 0.00 O ATOM 792 CB ILE A 51 12.331 -3.817 7.190 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.331 -3.605 8.328 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.660 -3.604 5.841 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.027 -2.148 8.602 1.00 0.00 C ATOM 0 H ILE A 51 13.905 -4.592 9.017 1.00 0.00 H new ATOM 0 HA ILE A 51 12.138 -5.965 7.210 1.00 0.00 H new ATOM 0 HB ILE A 51 13.132 -3.085 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.403 -4.122 8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.724 -4.063 9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.234 -2.601 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.397 -3.718 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.867 -4.340 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.311 -2.073 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.946 -1.630 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.604 -1.690 7.708 1.00 0.00 H new ATOM 807 N LEU A 52 13.447 -6.181 5.098 1.00 0.00 N ATOM 808 CA LEU A 52 14.260 -6.446 3.916 1.00 0.00 C ATOM 809 C LEU A 52 13.980 -5.421 2.821 1.00 0.00 C ATOM 810 O LEU A 52 14.902 -4.869 2.223 1.00 0.00 O ATOM 811 CB LEU A 52 13.988 -7.857 3.391 1.00 0.00 C ATOM 812 CG LEU A 52 14.164 -8.993 4.398 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.308 -10.188 4.010 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.629 -9.394 4.498 1.00 0.00 C ATOM 0 H LEU A 52 12.527 -6.620 5.084 1.00 0.00 H new ATOM 0 HA LEU A 52 15.309 -6.367 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.967 -7.891 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.650 -8.042 2.545 1.00 0.00 H new ATOM 0 HG LEU A 52 13.836 -8.640 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.447 -10.987 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.259 -9.893 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.604 -10.542 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.736 -10.204 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.982 -9.728 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.219 -8.538 4.824 1.00 0.00 H new ATOM 826 N GLY A 53 12.699 -5.170 2.566 1.00 0.00 N ATOM 827 CA GLY A 53 12.320 -4.210 1.545 1.00 0.00 C ATOM 828 C GLY A 53 11.025 -3.496 1.874 1.00 0.00 C ATOM 829 O GLY A 53 10.185 -4.022 2.604 1.00 0.00 O ATOM 0 H GLY A 53 11.917 -5.614 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.117 -3.475 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.216 -4.723 0.589 1.00 0.00 H new ATOM 833 N SER A 54 10.862 -2.292 1.335 1.00 0.00 N ATOM 834 CA SER A 54 9.661 -1.501 1.580 1.00 0.00 C ATOM 835 C SER A 54 8.948 -1.177 0.271 1.00 0.00 C ATOM 836 O SER A 54 9.578 -0.786 -0.712 1.00 0.00 O ATOM 837 CB SER A 54 10.018 -0.206 2.313 1.00 0.00 C ATOM 838 OG SER A 54 10.692 0.697 1.454 1.00 0.00 O ATOM 0 H SER A 54 11.546 -1.843 0.726 1.00 0.00 H new ATOM 0 HA SER A 54 8.989 -2.090 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.111 0.261 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.648 -0.433 3.173 1.00 0.00 H new ATOM 0 HG SER A 54 10.908 1.517 1.946 1.00 0.00 H new ATOM 844 N ILE A 55 7.630 -1.343 0.266 1.00 0.00 N ATOM 845 CA ILE A 55 6.830 -1.067 -0.921 1.00 0.00 C ATOM 846 C ILE A 55 5.900 0.120 -0.694 1.00 0.00 C ATOM 847 O ILE A 55 4.883 0.022 -0.009 1.00 0.00 O ATOM 848 CB ILE A 55 5.989 -2.291 -1.330 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.880 -3.529 -1.459 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.259 -2.020 -2.636 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.126 -4.833 -1.327 1.00 0.00 C ATOM 0 H ILE A 55 7.093 -1.667 1.070 1.00 0.00 H new ATOM 0 HA ILE A 55 7.529 -0.830 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 55 5.247 -2.479 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.383 -3.506 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.657 -3.489 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.669 -2.894 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.599 -1.161 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.985 -1.810 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.821 -5.667 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.646 -4.878 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.367 -4.895 -2.107 1.00 0.00 H new ATOM 863 N PRO A 56 6.256 1.271 -1.284 1.00 0.00 N ATOM 864 CA PRO A 56 5.466 2.500 -1.164 1.00 0.00 C ATOM 865 C PRO A 56 4.140 2.413 -1.911 1.00 0.00 C ATOM 866 O PRO A 56 4.095 2.551 -3.135 1.00 0.00 O ATOM 867 CB PRO A 56 6.367 3.564 -1.795 1.00 0.00 C ATOM 868 CG PRO A 56 7.238 2.811 -2.741 1.00 0.00 C ATOM 869 CD PRO A 56 7.457 1.461 -2.116 1.00 0.00 C ATOM 0 HA PRO A 56 5.195 2.710 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.781 4.322 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.958 4.081 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.763 2.717 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.185 3.328 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.551 0.680 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.368 1.438 -1.518 1.00 0.00 H new ATOM 877 N LEU A 57 3.062 2.183 -1.170 1.00 0.00 N ATOM 878 CA LEU A 57 1.734 2.078 -1.763 1.00 0.00 C ATOM 879 C LEU A 57 1.036 3.434 -1.780 1.00 0.00 C ATOM 880 O LEU A 57 -0.136 3.546 -1.419 1.00 0.00 O ATOM 881 CB LEU A 57 0.887 1.066 -0.990 1.00 0.00 C ATOM 882 CG LEU A 57 1.295 -0.401 -1.135 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.359 -1.297 -0.338 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.307 -0.809 -2.601 1.00 0.00 C ATOM 0 H LEU A 57 3.082 2.066 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 57 1.849 1.736 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.919 1.328 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.149 1.168 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 57 2.303 -0.519 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.665 -2.337 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.401 -1.021 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.660 -1.176 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.600 -1.856 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.311 -0.675 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.019 -0.189 -3.146 1.00 0.00 H new ATOM 896 N LEU A 58 1.763 4.462 -2.204 1.00 0.00 N ATOM 897 CA LEU A 58 1.213 5.812 -2.271 1.00 0.00 C ATOM 898 C LEU A 58 0.157 5.916 -3.366 1.00 0.00 C ATOM 899 O LEU A 58 -1.007 6.212 -3.094 1.00 0.00 O ATOM 900 CB LEU A 58 2.330 6.826 -2.525 1.00 0.00 C ATOM 901 CG LEU A 58 1.894 8.172 -3.107 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.728 8.743 -2.316 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.061 9.149 -3.121 1.00 0.00 C ATOM 0 H LEU A 58 2.734 4.387 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 58 0.740 6.034 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.847 7.010 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.054 6.376 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 58 1.566 8.013 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.432 9.700 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.113 8.051 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.028 8.887 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.733 10.101 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.419 9.303 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.868 8.744 -3.732 1.00 0.00 H new ATOM 915 N SER A 59 0.570 5.669 -4.605 1.00 0.00 N ATOM 916 CA SER A 59 -0.340 5.736 -5.742 1.00 0.00 C ATOM 917 C SER A 59 -0.217 4.488 -6.611 1.00 0.00 C ATOM 918 O SER A 59 -0.199 4.573 -7.839 1.00 0.00 O ATOM 919 CB SER A 59 -0.053 6.985 -6.578 1.00 0.00 C ATOM 920 OG SER A 59 -1.219 7.424 -7.254 1.00 0.00 O ATOM 0 H SER A 59 1.529 5.421 -4.847 1.00 0.00 H new ATOM 0 HA SER A 59 -1.359 5.790 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.319 7.781 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.732 6.769 -7.303 1.00 0.00 H new ATOM 0 HG SER A 59 -1.010 8.224 -7.780 1.00 0.00 H new ATOM 926 N PHE A 60 -0.132 3.331 -5.965 1.00 0.00 N ATOM 927 CA PHE A 60 -0.010 2.064 -6.677 1.00 0.00 C ATOM 928 C PHE A 60 -1.370 1.589 -7.180 1.00 0.00 C ATOM 929 O PHE A 60 -2.406 2.150 -6.823 1.00 0.00 O ATOM 930 CB PHE A 60 0.611 1.001 -5.768 1.00 0.00 C ATOM 931 CG PHE A 60 2.109 0.940 -5.854 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.880 2.048 -5.538 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.747 -0.225 -6.248 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.259 1.994 -5.617 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.125 -0.284 -6.328 1.00 0.00 C ATOM 936 CZ PHE A 60 4.882 0.827 -6.011 1.00 0.00 C ATOM 0 H PHE A 60 -0.145 3.244 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 60 0.641 2.221 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.322 1.203 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.200 0.026 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.398 2.963 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.160 -1.097 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.849 2.865 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.610 -1.198 -6.638 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.959 0.783 -6.071 1.00 0.00 H new ATOM 946 N ARG A 61 -1.357 0.552 -8.011 1.00 0.00 N ATOM 947 CA ARG A 61 -2.589 0.002 -8.564 1.00 0.00 C ATOM 948 C ARG A 61 -2.744 -1.469 -8.189 1.00 0.00 C ATOM 949 O ARG A 61 -2.191 -2.351 -8.847 1.00 0.00 O ATOM 950 CB ARG A 61 -2.602 0.155 -10.086 1.00 0.00 C ATOM 951 CG ARG A 61 -3.987 0.028 -10.699 1.00 0.00 C ATOM 952 CD ARG A 61 -3.992 0.457 -12.158 1.00 0.00 C ATOM 953 NE ARG A 61 -5.318 0.336 -12.760 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.661 0.916 -13.905 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.780 1.652 -14.568 1.00 0.00 N ATOM 956 NH2 ARG A 61 -6.886 0.759 -14.388 1.00 0.00 N ATOM 0 H ARG A 61 -0.508 0.076 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.427 0.557 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.186 1.127 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.949 -0.600 -10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.327 -1.005 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.693 0.639 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.653 1.490 -12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.283 -0.153 -12.718 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.019 -0.224 -12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.837 1.774 -14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.045 2.096 -15.447 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.566 0.193 -13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.149 1.205 -15.267 1.00 0.00 H new ATOM 970 N VAL A 62 -3.500 -1.727 -7.126 1.00 0.00 N ATOM 971 CA VAL A 62 -3.729 -3.090 -6.663 1.00 0.00 C ATOM 972 C VAL A 62 -5.084 -3.609 -7.130 1.00 0.00 C ATOM 973 O VAL A 62 -6.109 -2.955 -6.943 1.00 0.00 O ATOM 974 CB VAL A 62 -3.658 -3.181 -5.127 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.779 -4.627 -4.671 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.368 -2.558 -4.616 1.00 0.00 C ATOM 0 H VAL A 62 -3.964 -1.009 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.939 -3.707 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.495 -2.623 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.727 -4.671 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.733 -5.035 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.964 -5.212 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.334 -2.631 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.515 -3.087 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.329 -1.509 -4.911 1.00 0.00 H new ATOM 986 N ALA A 63 -5.081 -4.791 -7.739 1.00 0.00 N ATOM 987 CA ALA A 63 -6.311 -5.400 -8.231 1.00 0.00 C ATOM 988 C ALA A 63 -6.055 -6.810 -8.752 1.00 0.00 C ATOM 989 O ALA A 63 -5.017 -7.080 -9.356 1.00 0.00 O ATOM 990 CB ALA A 63 -6.928 -4.536 -9.321 1.00 0.00 C ATOM 0 H ALA A 63 -4.241 -5.345 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.011 -5.470 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.846 -5.003 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.156 -3.549 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.225 -4.436 -10.148 1.00 0.00 H new ATOM 996 N ALA A 64 -7.007 -7.706 -8.513 1.00 0.00 N ATOM 997 CA ALA A 64 -6.885 -9.088 -8.960 1.00 0.00 C ATOM 998 C ALA A 64 -6.167 -9.169 -10.303 1.00 0.00 C ATOM 999 O ALA A 64 -6.493 -8.438 -11.238 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.258 -9.735 -9.054 1.00 0.00 C ATOM 0 H ALA A 64 -7.871 -7.499 -8.012 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.289 -9.630 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.152 -10.767 -9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.736 -9.719 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.872 -9.184 -9.766 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.187 -10.063 -10.391 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.422 -10.240 -11.620 1.00 0.00 C ATOM 1008 C VAL A 65 -5.343 -10.502 -12.807 1.00 0.00 C ATOM 1009 O VAL A 65 -6.566 -10.489 -12.670 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.421 -11.404 -11.495 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.337 -11.069 -10.481 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.141 -12.688 -11.113 1.00 0.00 C ATOM 0 H VAL A 65 -4.904 -10.676 -9.626 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.872 -9.314 -11.787 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.945 -11.556 -12.464 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.639 -11.903 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.802 -10.175 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.793 -10.889 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.418 -13.499 -11.029 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.646 -12.551 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.876 -12.935 -11.879 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.746 -10.740 -13.970 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.513 -11.004 -15.182 1.00 0.00 C ATOM 1024 C GLN A 66 -4.998 -12.253 -15.890 1.00 0.00 C ATOM 1025 O GLN A 66 -3.874 -12.704 -15.668 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.444 -9.803 -16.126 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.553 -8.788 -15.901 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.508 -7.645 -16.895 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -5.442 -7.276 -17.388 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -7.670 -7.076 -17.197 1.00 0.00 N ATOM 0 H GLN A 66 -3.734 -10.756 -14.099 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.551 -11.173 -14.896 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.480 -9.309 -16.002 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.491 -10.158 -17.156 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.519 -9.289 -15.972 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.475 -8.388 -14.890 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.530 -7.413 -16.765 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.702 -6.302 -17.861 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.839 -12.828 -16.763 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.491 -14.033 -17.522 1.00 0.00 C ATOM 1041 C PRO A 67 -4.422 -13.765 -18.576 1.00 0.00 C ATOM 1042 O PRO A 67 -3.967 -14.683 -19.259 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.812 -14.427 -18.187 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.582 -13.156 -18.283 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.194 -12.345 -17.077 1.00 0.00 C ATOM 0 HA PRO A 67 -5.071 -14.810 -16.884 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.645 -14.864 -19.172 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.347 -15.170 -17.595 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.344 -12.624 -19.204 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.655 -13.349 -18.295 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.200 -11.277 -17.292 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.881 -12.506 -16.246 1.00 0.00 H new ATOM 1053 N SER A 68 -4.026 -12.503 -18.704 1.00 0.00 N ATOM 1054 CA SER A 68 -3.013 -12.114 -19.678 1.00 0.00 C ATOM 1055 C SER A 68 -1.654 -11.938 -19.008 1.00 0.00 C ATOM 1056 O SER A 68 -0.632 -11.797 -19.680 1.00 0.00 O ATOM 1057 CB SER A 68 -3.421 -10.817 -20.379 1.00 0.00 C ATOM 1058 OG SER A 68 -4.241 -11.081 -21.505 1.00 0.00 O ATOM 0 H SER A 68 -4.391 -11.732 -18.145 1.00 0.00 H new ATOM 0 HA SER A 68 -2.932 -12.909 -20.419 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.955 -10.174 -19.679 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.530 -10.274 -20.694 1.00 0.00 H new ATOM 0 HG SER A 68 -4.489 -10.236 -21.934 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.748 -18.914 -8.379 1.00 0.00 N ATOM 1145 CA LYS A 74 -6.021 -18.420 -7.868 1.00 0.00 C ATOM 1146 C LYS A 74 -5.807 -17.508 -6.664 1.00 0.00 C ATOM 1147 O LYS A 74 -4.826 -17.649 -5.933 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.928 -19.591 -7.480 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.606 -20.254 -8.666 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.901 -19.549 -9.035 1.00 0.00 C ATOM 1151 CE LYS A 74 -10.048 -19.986 -8.137 1.00 0.00 C ATOM 1152 NZ LYS A 74 -11.251 -19.127 -8.316 1.00 0.00 N ATOM 0 HA LYS A 74 -6.502 -17.843 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.337 -20.336 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.691 -19.235 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.931 -20.248 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.813 -21.298 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.765 -18.470 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.150 -19.763 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.306 -21.022 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.728 -19.950 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.010 -19.457 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.012 -18.142 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.572 -19.181 -9.304 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.732 -16.575 -6.462 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.645 -15.642 -5.344 1.00 0.00 C ATOM 1168 C HIS A 75 -5.333 -14.864 -5.387 1.00 0.00 C ATOM 1169 O HIS A 75 -4.657 -14.708 -4.369 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.764 -16.390 -4.017 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.630 -17.610 -4.092 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.867 -17.617 -4.701 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.431 -18.867 -3.633 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.393 -18.826 -4.612 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.540 -19.604 -3.968 1.00 0.00 N ATOM 0 H HIS A 75 -7.550 -16.445 -7.057 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.470 -14.935 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.768 -16.681 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.168 -15.714 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.561 -19.224 -3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.355 -19.127 -4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.683 -20.591 -3.755 1.00 0.00 H new ATOM 1184 N THR A 76 -4.977 -14.378 -6.572 1.00 0.00 N ATOM 1185 CA THR A 76 -3.745 -13.618 -6.748 1.00 0.00 C ATOM 1186 C THR A 76 -4.032 -12.224 -7.295 1.00 0.00 C ATOM 1187 O THR A 76 -4.890 -12.051 -8.160 1.00 0.00 O ATOM 1188 CB THR A 76 -2.772 -14.340 -7.699 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.561 -15.685 -7.257 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.440 -13.608 -7.767 1.00 0.00 C ATOM 0 H THR A 76 -5.524 -14.497 -7.424 1.00 0.00 H new ATOM 0 HA THR A 76 -3.283 -13.531 -5.764 1.00 0.00 H new ATOM 0 HB THR A 76 -3.214 -14.352 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.942 -16.137 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.769 -14.136 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.600 -12.594 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.995 -13.569 -6.773 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.309 -11.233 -6.784 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.487 -9.854 -7.221 1.00 0.00 C ATOM 1200 C PHE A 77 -2.150 -9.231 -7.612 1.00 0.00 C ATOM 1201 O PHE A 77 -1.087 -9.719 -7.227 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.143 -9.026 -6.114 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.576 -9.294 -4.749 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.907 -10.450 -4.061 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.712 -8.389 -4.154 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.386 -10.699 -2.805 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.188 -8.633 -2.899 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.526 -9.789 -2.223 1.00 0.00 C ATOM 0 H PHE A 77 -2.595 -11.360 -6.067 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.137 -9.858 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.026 -7.967 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.213 -9.234 -6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.580 -11.165 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.445 -7.483 -4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.651 -11.604 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.514 -7.920 -2.447 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.119 -9.981 -1.241 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.211 -8.149 -8.381 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.007 -7.457 -8.826 1.00 0.00 C ATOM 1220 C LYS A 78 -0.985 -6.020 -8.316 1.00 0.00 C ATOM 1221 O LYS A 78 -2.029 -5.381 -8.186 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.922 -7.468 -10.354 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.150 -6.891 -11.035 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.799 -6.249 -12.367 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.849 -5.234 -12.791 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.586 -3.888 -12.209 1.00 0.00 N ATOM 0 H LYS A 78 -3.082 -7.732 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.144 -7.983 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.044 -6.901 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.776 -8.493 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.884 -7.681 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.614 -6.150 -10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.828 -5.759 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.708 -7.021 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.867 -5.162 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.835 -5.579 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.452 -3.314 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.293 -3.990 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.829 -3.419 -12.747 1.00 0.00 H new ATOM 1240 N ALA A 79 0.211 -5.516 -8.028 1.00 0.00 N ATOM 1241 CA ALA A 79 0.367 -4.153 -7.536 1.00 0.00 C ATOM 1242 C ALA A 79 1.497 -3.433 -8.264 1.00 0.00 C ATOM 1243 O ALA A 79 2.673 -3.673 -7.996 1.00 0.00 O ATOM 1244 CB ALA A 79 0.624 -4.160 -6.036 1.00 0.00 C ATOM 0 H ALA A 79 1.086 -6.031 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.559 -3.613 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.739 -3.136 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.217 -4.629 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.535 -4.721 -5.826 1.00 0.00 H new ATOM 1250 N GLU A 80 1.130 -2.549 -9.188 1.00 0.00 N ATOM 1251 CA GLU A 80 2.114 -1.795 -9.956 1.00 0.00 C ATOM 1252 C GLU A 80 1.858 -0.295 -9.844 1.00 0.00 C ATOM 1253 O GLU A 80 0.720 0.141 -9.671 1.00 0.00 O ATOM 1254 CB GLU A 80 2.083 -2.221 -11.425 1.00 0.00 C ATOM 1255 CG GLU A 80 0.839 -1.760 -12.166 1.00 0.00 C ATOM 1256 CD GLU A 80 0.837 -2.182 -13.622 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.871 -1.994 -14.296 1.00 0.00 O ATOM 1258 OE2 GLU A 80 -0.200 -2.701 -14.087 1.00 0.00 O ATOM 0 H GLU A 80 0.160 -2.338 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 80 3.100 -2.009 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.964 -1.823 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.147 -3.308 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.044 -2.166 -11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.767 -0.674 -12.106 1.00 0.00 H new ATOM 1265 N HIS A 81 2.926 0.491 -9.944 1.00 0.00 N ATOM 1266 CA HIS A 81 2.818 1.942 -9.855 1.00 0.00 C ATOM 1267 C HIS A 81 2.754 2.569 -11.244 1.00 0.00 C ATOM 1268 O HIS A 81 2.956 3.773 -11.403 1.00 0.00 O ATOM 1269 CB HIS A 81 4.003 2.516 -9.078 1.00 0.00 C ATOM 1270 CG HIS A 81 3.873 3.978 -8.780 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.898 4.733 -8.251 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.830 4.825 -8.942 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.491 5.980 -8.098 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.239 6.063 -8.511 1.00 0.00 N ATOM 0 H HIS A 81 3.875 0.147 -10.087 1.00 0.00 H new ATOM 0 HA HIS A 81 1.896 2.181 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.110 1.971 -8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.916 2.350 -9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.857 4.574 -9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.081 6.793 -7.703 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.669 6.909 -8.510 1.00 0.00 H new ATOM 1316 N ARG A 85 7.378 -0.499 -10.907 1.00 0.00 N ATOM 1317 CA ARG A 85 7.500 -1.943 -11.063 1.00 0.00 C ATOM 1318 C ARG A 85 6.157 -2.630 -10.829 1.00 0.00 C ATOM 1319 O ARG A 85 5.264 -2.071 -10.192 1.00 0.00 O ATOM 1320 CB ARG A 85 8.543 -2.496 -10.091 1.00 0.00 C ATOM 1321 CG ARG A 85 9.051 -3.880 -10.464 1.00 0.00 C ATOM 1322 CD ARG A 85 10.453 -4.122 -9.928 1.00 0.00 C ATOM 1323 NE ARG A 85 11.482 -3.708 -10.879 1.00 0.00 N ATOM 1324 CZ ARG A 85 12.738 -3.447 -10.536 1.00 0.00 C ATOM 1325 NH1 ARG A 85 13.119 -3.557 -9.270 1.00 0.00 N ATOM 1326 NH2 ARG A 85 13.616 -3.076 -11.458 1.00 0.00 N ATOM 0 HA ARG A 85 7.821 -2.147 -12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.387 -1.808 -10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.111 -2.534 -9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.373 -4.636 -10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.051 -3.989 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.583 -3.577 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.576 -5.181 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 85 11.221 -3.614 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.447 -3.843 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.084 -3.356 -9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.327 -2.991 -12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.580 -2.876 -11.193 1.00 0.00 H new ATOM 1340 N THR A 86 6.021 -3.845 -11.350 1.00 0.00 N ATOM 1341 CA THR A 86 4.788 -4.608 -11.200 1.00 0.00 C ATOM 1342 C THR A 86 4.987 -5.798 -10.269 1.00 0.00 C ATOM 1343 O THR A 86 5.655 -6.771 -10.623 1.00 0.00 O ATOM 1344 CB THR A 86 4.272 -5.115 -12.560 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.318 -4.059 -13.526 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.848 -5.636 -12.438 1.00 0.00 C ATOM 0 H THR A 86 6.750 -4.322 -11.880 1.00 0.00 H new ATOM 0 HA THR A 86 4.049 -3.933 -10.768 1.00 0.00 H new ATOM 0 HB THR A 86 4.915 -5.933 -12.886 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.441 -3.624 -13.577 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.505 -5.989 -13.411 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.822 -6.459 -11.724 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.196 -4.834 -12.092 1.00 0.00 H new ATOM 1354 N TYR A 87 4.404 -5.716 -9.078 1.00 0.00 N ATOM 1355 CA TYR A 87 4.520 -6.787 -8.095 1.00 0.00 C ATOM 1356 C TYR A 87 3.371 -7.781 -8.236 1.00 0.00 C ATOM 1357 O TYR A 87 2.404 -7.533 -8.957 1.00 0.00 O ATOM 1358 CB TYR A 87 4.538 -6.208 -6.680 1.00 0.00 C ATOM 1359 CG TYR A 87 5.685 -5.254 -6.431 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.752 -4.032 -7.087 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.701 -5.576 -5.540 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.798 -3.157 -6.863 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.750 -4.708 -5.309 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.794 -3.500 -5.973 1.00 0.00 C ATOM 1365 OH TYR A 87 8.838 -2.632 -5.746 1.00 0.00 O ATOM 0 H TYR A 87 3.847 -4.919 -8.770 1.00 0.00 H new ATOM 0 HA TYR A 87 5.457 -7.314 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.598 -5.688 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.595 -7.026 -5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.973 -3.761 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.670 -6.521 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.835 -2.210 -7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.531 -4.974 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 87 9.453 -3.024 -5.091 1.00 0.00 H new ATOM 1375 N PHE A 88 3.483 -8.907 -7.539 1.00 0.00 N ATOM 1376 CA PHE A 88 2.455 -9.940 -7.585 1.00 0.00 C ATOM 1377 C PHE A 88 2.382 -10.693 -6.259 1.00 0.00 C ATOM 1378 O PHE A 88 3.357 -11.307 -5.826 1.00 0.00 O ATOM 1379 CB PHE A 88 2.737 -10.920 -8.726 1.00 0.00 C ATOM 1380 CG PHE A 88 2.501 -10.335 -10.089 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.517 -9.671 -10.757 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.265 -10.451 -10.703 1.00 0.00 C ATOM 1383 CE1 PHE A 88 3.303 -9.131 -12.012 1.00 0.00 C ATOM 1384 CE2 PHE A 88 1.045 -9.914 -11.958 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.066 -9.254 -12.613 1.00 0.00 C ATOM 0 H PHE A 88 4.275 -9.127 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 88 1.495 -9.455 -7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.771 -11.257 -8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.106 -11.800 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.487 -9.574 -10.292 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.463 -10.967 -10.195 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.103 -8.614 -12.521 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.076 -10.011 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.897 -8.835 -13.594 1.00 0.00 H new ATOM 1395 N PHE A 89 1.218 -10.641 -5.620 1.00 0.00 N ATOM 1396 CA PHE A 89 1.016 -11.316 -4.343 1.00 0.00 C ATOM 1397 C PHE A 89 -0.120 -12.330 -4.438 1.00 0.00 C ATOM 1398 O PHE A 89 -1.220 -12.006 -4.886 1.00 0.00 O ATOM 1399 CB PHE A 89 0.713 -10.295 -3.244 1.00 0.00 C ATOM 1400 CG PHE A 89 1.723 -9.187 -3.162 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.987 -9.420 -2.642 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.410 -7.912 -3.604 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.918 -8.401 -2.564 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.337 -6.889 -3.529 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.593 -7.135 -3.009 1.00 0.00 C ATOM 0 H PHE A 89 0.400 -10.139 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 89 1.934 -11.847 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.273 -9.865 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.670 -10.809 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.247 -10.409 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.430 -7.715 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.899 -8.595 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.080 -5.899 -3.876 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.320 -6.338 -2.951 1.00 0.00 H new ATOM 1415 N SER A 90 0.154 -13.559 -4.013 1.00 0.00 N ATOM 1416 CA SER A 90 -0.843 -14.623 -4.054 1.00 0.00 C ATOM 1417 C SER A 90 -1.357 -14.939 -2.652 1.00 0.00 C ATOM 1418 O SER A 90 -0.586 -14.995 -1.695 1.00 0.00 O ATOM 1419 CB SER A 90 -0.250 -15.882 -4.688 1.00 0.00 C ATOM 1420 OG SER A 90 -1.197 -16.936 -4.710 1.00 0.00 O ATOM 0 H SER A 90 1.058 -13.843 -3.636 1.00 0.00 H new ATOM 0 HA SER A 90 -1.681 -14.280 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.077 -15.662 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.633 -16.193 -4.129 1.00 0.00 H new ATOM 0 HG SER A 90 -1.823 -16.798 -5.452 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.665 -15.145 -2.541 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.283 -15.458 -1.259 1.00 0.00 C ATOM 1428 C ALA A 91 -3.753 -16.908 -1.215 1.00 0.00 C ATOM 1429 O ALA A 91 -4.345 -17.407 -2.171 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.447 -14.516 -0.990 1.00 0.00 C ATOM 0 H ALA A 91 -3.317 -15.101 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.533 -15.323 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.899 -14.761 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.086 -13.488 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.191 -14.623 -1.779 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.483 -17.579 -0.099 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.878 -18.973 0.067 1.00 0.00 C ATOM 1438 C GLU A 92 -5.392 -19.127 -0.047 1.00 0.00 C ATOM 1439 O GLU A 92 -5.886 -20.036 -0.714 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.400 -19.504 1.420 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.898 -19.397 1.620 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.375 -20.377 2.652 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -2.071 -20.599 3.664 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.270 -20.922 2.447 1.00 0.00 O ATOM 0 H GLU A 92 -2.993 -17.180 0.702 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.411 -19.554 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.904 -18.954 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.697 -20.548 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.395 -19.574 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.648 -18.382 1.929 1.00 0.00 H new ATOM 1451 N SER A 93 -6.123 -18.232 0.611 1.00 0.00 N ATOM 1452 CA SER A 93 -7.580 -18.271 0.588 1.00 0.00 C ATOM 1453 C SER A 93 -8.141 -17.126 -0.250 1.00 0.00 C ATOM 1454 O SER A 93 -7.534 -16.062 -0.379 1.00 0.00 O ATOM 1455 CB SER A 93 -8.136 -18.195 2.012 1.00 0.00 C ATOM 1456 OG SER A 93 -7.546 -17.127 2.733 1.00 0.00 O ATOM 0 H SER A 93 -5.730 -17.472 1.166 1.00 0.00 H new ATOM 0 HA SER A 93 -7.886 -19.214 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.217 -18.061 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.948 -19.135 2.530 1.00 0.00 H new ATOM 0 HG SER A 93 -7.919 -17.099 3.639 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.327 -17.348 -0.835 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.997 -16.348 -1.671 1.00 0.00 C ATOM 1464 C PRO A 94 -10.509 -15.163 -0.860 1.00 0.00 C ATOM 1465 O PRO A 94 -10.734 -14.080 -1.400 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.167 -17.122 -2.283 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.439 -18.223 -1.316 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.106 -18.593 -0.725 1.00 0.00 C ATOM 0 HA PRO A 94 -9.321 -15.916 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.041 -16.483 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.911 -17.514 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.133 -17.899 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.895 -19.078 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.202 -18.917 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.637 -19.410 -1.272 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.689 -15.375 0.440 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.175 -14.323 1.325 1.00 0.00 C ATOM 1478 C GLU A 95 -10.086 -13.286 1.585 1.00 0.00 C ATOM 1479 O GLU A 95 -10.367 -12.094 1.706 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.653 -14.920 2.650 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.577 -15.698 3.390 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.139 -16.541 4.519 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -12.150 -17.237 4.291 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.567 -16.504 5.628 1.00 0.00 O ATOM 0 H GLU A 95 -10.506 -16.265 0.903 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.014 -13.829 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.015 -14.116 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.499 -15.580 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.052 -16.344 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.842 -15.001 3.793 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.843 -13.749 1.671 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.713 -12.862 1.919 1.00 0.00 C ATOM 1493 C GLU A 96 -7.413 -12.008 0.691 1.00 0.00 C ATOM 1494 O GLU A 96 -7.268 -10.790 0.790 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.474 -13.673 2.305 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.424 -14.043 3.778 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.362 -15.082 4.082 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.996 -15.844 3.163 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.897 -15.132 5.240 1.00 0.00 O ATOM 0 H GLU A 96 -8.593 -14.733 1.573 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.977 -12.201 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.447 -14.585 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.582 -13.100 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.230 -13.147 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.398 -14.423 4.087 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.320 -12.657 -0.466 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.036 -11.957 -1.713 1.00 0.00 C ATOM 1508 C GLN A 97 -7.802 -10.640 -1.785 1.00 0.00 C ATOM 1509 O GLN A 97 -7.204 -9.568 -1.872 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.398 -12.838 -2.910 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.245 -12.136 -4.250 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.208 -12.661 -5.297 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.100 -13.455 -4.994 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -8.032 -12.220 -6.537 1.00 0.00 N ATOM 0 H GLN A 97 -7.437 -13.665 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.969 -11.737 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.767 -13.727 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.428 -13.177 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.407 -11.066 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.223 -12.261 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.280 -11.562 -6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.649 -12.539 -7.284 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.128 -10.730 -1.749 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.974 -9.544 -1.812 1.00 0.00 C ATOM 1525 C GLU A 98 -9.635 -8.573 -0.685 1.00 0.00 C ATOM 1526 O GLU A 98 -9.399 -7.389 -0.922 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.450 -9.940 -1.732 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.900 -10.847 -2.866 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.354 -11.258 -2.742 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -14.227 -10.502 -3.216 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.618 -12.337 -2.171 1.00 0.00 O ATOM 0 H GLU A 98 -9.639 -11.610 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.789 -9.047 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.631 -10.443 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.060 -9.037 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.751 -10.335 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.274 -11.739 -2.883 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.613 -9.083 0.542 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.302 -8.263 1.705 1.00 0.00 C ATOM 1540 C ALA A 99 -8.103 -7.360 1.435 1.00 0.00 C ATOM 1541 O ALA A 99 -8.163 -6.150 1.655 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.040 -9.144 2.918 1.00 0.00 C ATOM 0 H ALA A 99 -9.807 -10.061 0.756 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.163 -7.627 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.809 -8.518 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.926 -9.742 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.197 -9.804 2.713 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.015 -7.956 0.960 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.801 -7.205 0.661 1.00 0.00 C ATOM 1550 C TRP A 100 -6.057 -6.167 -0.425 1.00 0.00 C ATOM 1551 O TRP A 100 -5.876 -4.968 -0.206 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.685 -8.155 0.223 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.006 -8.842 1.369 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.270 -10.095 1.845 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.953 -8.315 2.183 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.445 -10.378 2.907 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.627 -9.302 3.133 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.253 -7.106 2.201 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.633 -9.115 4.090 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.267 -6.921 3.151 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.963 -7.921 4.084 1.00 0.00 C ATOM 0 H TRP A 100 -6.949 -8.957 0.774 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.492 -6.685 1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.100 -8.907 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.943 -7.595 -0.346 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.017 -10.765 1.445 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.442 -11.247 3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.479 -6.330 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.399 -9.884 4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.721 -5.989 3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.185 -7.747 4.813 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.479 -6.632 -1.596 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.761 -5.742 -2.715 1.00 0.00 C ATOM 1574 C ILE A 101 -7.384 -4.436 -2.235 1.00 0.00 C ATOM 1575 O ILE A 101 -7.086 -3.364 -2.761 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.705 -6.403 -3.737 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.025 -7.612 -4.383 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.128 -5.397 -4.796 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.960 -8.452 -5.226 1.00 0.00 C ATOM 0 H ILE A 101 -6.633 -7.621 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.807 -5.531 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.598 -6.747 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.200 -7.265 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.593 -8.237 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.795 -5.880 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.647 -4.565 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.246 -5.025 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.410 -9.291 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.772 -8.829 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.372 -7.842 -6.030 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.251 -4.534 -1.232 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.915 -3.359 -0.680 1.00 0.00 C ATOM 1593 C GLN A 102 -8.049 -2.693 0.384 1.00 0.00 C ATOM 1594 O GLN A 102 -7.863 -1.476 0.374 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.269 -3.747 -0.082 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.189 -4.451 -1.066 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.656 -4.206 -0.771 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.134 -3.073 -0.840 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.379 -5.269 -0.441 1.00 0.00 N ATOM 0 H GLN A 102 -8.510 -5.414 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.073 -2.648 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.104 -4.397 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.764 -2.849 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.964 -4.110 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.991 -5.523 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.942 -6.189 -0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.372 -5.166 -0.232 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.520 -3.498 1.300 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.672 -2.986 2.369 1.00 0.00 C ATOM 1610 C ALA A 103 -5.497 -2.194 1.806 1.00 0.00 C ATOM 1611 O ALA A 103 -5.342 -1.007 2.091 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.172 -4.130 3.239 1.00 0.00 C ATOM 0 H ALA A 103 -7.664 -4.508 1.323 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.270 -2.312 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.540 -3.733 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.022 -4.652 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.595 -4.825 2.629 1.00 0.00 H new ATOM 1618 N MET A 104 -4.670 -2.860 1.005 1.00 0.00 N ATOM 1619 CA MET A 104 -3.509 -2.217 0.402 1.00 0.00 C ATOM 1620 C MET A 104 -3.931 -1.275 -0.722 1.00 0.00 C ATOM 1621 O MET A 104 -3.307 -0.238 -0.942 1.00 0.00 O ATOM 1622 CB MET A 104 -2.539 -3.270 -0.137 1.00 0.00 C ATOM 1623 CG MET A 104 -3.054 -3.996 -1.369 1.00 0.00 C ATOM 1624 SD MET A 104 -2.439 -5.688 -1.486 1.00 0.00 S ATOM 1625 CE MET A 104 -0.678 -5.421 -1.301 1.00 0.00 C ATOM 0 H MET A 104 -4.783 -3.844 0.759 1.00 0.00 H new ATOM 0 HA MET A 104 -3.008 -1.632 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.591 -2.789 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.336 -4.000 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.144 -4.010 -1.349 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.759 -3.444 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.141 -6.328 -1.579 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.364 -4.602 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.455 -5.170 -0.264 1.00 0.00 H new ATOM 1635 N GLY A 105 -4.994 -1.644 -1.429 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.481 -0.822 -2.521 1.00 0.00 C ATOM 1637 C GLY A 105 -5.900 0.561 -2.063 1.00 0.00 C ATOM 1638 O GLY A 105 -5.449 1.566 -2.611 1.00 0.00 O ATOM 0 H GLY A 105 -5.527 -2.498 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.702 -0.730 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.329 -1.317 -2.994 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.768 0.612 -1.057 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.250 1.882 -0.529 1.00 0.00 C ATOM 1644 C GLU A 106 -6.089 2.836 -0.260 1.00 0.00 C ATOM 1645 O GLU A 106 -6.136 4.008 -0.631 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.046 1.656 0.758 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.191 1.678 2.014 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.007 1.496 3.279 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.863 2.361 3.561 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.790 0.491 3.987 1.00 0.00 O ATOM 0 H GLU A 106 -7.151 -0.211 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.902 2.332 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.815 2.424 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.559 0.696 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.442 0.889 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.653 2.625 2.066 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.047 2.323 0.387 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.873 3.127 0.703 1.00 0.00 C ATOM 1659 C ALA A 107 -3.321 3.808 -0.544 1.00 0.00 C ATOM 1660 O ALA A 107 -2.798 4.919 -0.476 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.802 2.264 1.354 1.00 0.00 C ATOM 0 H ALA A 107 -4.992 1.354 0.702 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.174 3.904 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.931 2.877 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.194 1.830 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.513 1.466 0.671 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.441 3.133 -1.683 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.955 3.674 -2.946 1.00 0.00 C ATOM 1669 C ALA A 108 -3.848 4.810 -3.437 1.00 0.00 C ATOM 1670 O ALA A 108 -3.364 5.796 -3.992 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.872 2.575 -3.994 1.00 0.00 C ATOM 0 H ALA A 108 -3.871 2.211 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.956 4.078 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.508 2.994 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.188 1.798 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.861 2.144 -4.149 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.152 4.662 -3.229 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.112 5.675 -3.653 1.00 0.00 C ATOM 1679 C ARG A 109 -5.732 7.047 -3.104 1.00 0.00 C ATOM 1680 O ARG A 109 -4.955 7.155 -2.155 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.520 5.300 -3.187 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.283 4.443 -4.184 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.471 3.753 -3.531 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.620 4.645 -3.403 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.589 4.471 -2.511 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.547 3.444 -1.673 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.603 5.326 -2.456 1.00 0.00 N ATOM 0 H ARG A 109 -5.568 3.852 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.097 5.721 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.450 4.765 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.086 6.212 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.630 5.065 -5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.614 3.694 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.753 2.881 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.182 3.390 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.682 5.445 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.769 2.785 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.292 3.313 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.638 6.117 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.347 5.192 -1.771 1.00 0.00 H new