USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 856 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 13 THR OG1 : rot 62:sc= 0.594 USER MOD Set 1.2: A 134 MET CE :methyl 162:sc= -0.143 (180deg=-0.634) USER MOD Set 2.1: A 121 MET CE :methyl -147:sc= -0.797 (180deg=-2.09) USER MOD Set 2.2: A 129 THR OG1 : rot 76:sc= 1.28 USER MOD Set 3.1: A 101 HIS :FLIP no HD1:sc= -0.202 F(o=-1.2,f=-0.026) USER MOD Set 3.2: A 107 GLN : amide:sc= 0.176 K(o=-0.026,f=-5!) USER MOD Set 4.1: A 17 TYR OH : rot 180:sc= 0.482 USER MOD Set 4.2: A 123 THR OG1 : rot -118:sc= 0.519 USER MOD Set 5.1: A 12 ASN : amide:sc= 1.19 K(o=0.47,f=-10) USER MOD Set 5.2: A 25 ASN : amide:sc= -0.719! C(o=0.47!,f=-9.3!) USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.292 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 31 HIS : no HD1:sc= -0.0822 X(o=-0.082,f=0.0013) USER MOD Single : A 43 SER OG : rot 42:sc= 0.0462 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 53 THR OG1 : rot 53:sc= 0.268 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.68) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 THR OG1 : rot -140:sc= -1.22 USER MOD Single : A 100 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 130 TYR OH : rot -110:sc= 0.105 USER MOD Single : A 131 ASN : amide:sc= -0.211 K(o=-0.21,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.466 -1.699 -7.100 1.00 0.00 N ATOM 154 CA LEU A 11 13.312 -0.822 -7.138 1.00 0.00 C ATOM 155 C LEU A 11 12.158 -1.511 -7.849 1.00 0.00 C ATOM 156 O LEU A 11 12.137 -1.600 -9.078 1.00 0.00 O ATOM 157 CB LEU A 11 13.659 0.490 -7.848 1.00 0.00 C ATOM 158 CG LEU A 11 14.792 1.300 -7.211 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.090 2.541 -8.038 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.436 1.687 -5.784 1.00 0.00 C ATOM 0 HA LEU A 11 13.014 -0.594 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.931 0.265 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.765 1.112 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 11 15.686 0.677 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.898 3.104 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.389 2.245 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.197 3.164 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.253 2.262 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.529 2.291 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.271 0.786 -5.193 1.00 0.00 H new ATOM 172 N ASN A 12 11.221 -2.030 -7.069 1.00 0.00 N ATOM 173 CA ASN A 12 10.055 -2.701 -7.624 1.00 0.00 C ATOM 174 C ASN A 12 9.212 -1.713 -8.412 1.00 0.00 C ATOM 175 O ASN A 12 8.581 -0.821 -7.845 1.00 0.00 O ATOM 176 CB ASN A 12 9.223 -3.350 -6.516 1.00 0.00 C ATOM 177 CG ASN A 12 9.973 -4.454 -5.795 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.819 -5.134 -6.378 1.00 0.00 O ATOM 179 ND2 ASN A 12 9.674 -4.636 -4.520 1.00 0.00 N ATOM 0 H ASN A 12 11.246 -1.999 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 12 10.396 -3.488 -8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.925 -2.588 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.308 -3.758 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.150 -5.361 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.967 -4.052 -4.074 1.00 0.00 H new ATOM 186 N THR A 13 9.219 -1.871 -9.723 1.00 0.00 N ATOM 187 CA THR A 13 8.568 -0.924 -10.607 1.00 0.00 C ATOM 188 C THR A 13 7.440 -1.585 -11.389 1.00 0.00 C ATOM 189 O THR A 13 7.606 -2.680 -11.939 1.00 0.00 O ATOM 190 CB THR A 13 9.583 -0.317 -11.597 1.00 0.00 C ATOM 191 OG1 THR A 13 10.746 0.133 -10.889 1.00 0.00 O ATOM 192 CG2 THR A 13 8.973 0.851 -12.359 1.00 0.00 C ATOM 0 H THR A 13 9.671 -2.651 -10.200 1.00 0.00 H new ATOM 0 HA THR A 13 8.150 -0.133 -9.985 1.00 0.00 H new ATOM 0 HB THR A 13 9.862 -1.091 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.174 -0.629 -10.446 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.711 1.260 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.104 0.506 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.667 1.625 -11.655 1.00 0.00 H new ATOM 200 N VAL A 14 6.291 -0.921 -11.423 1.00 0.00 N ATOM 201 CA VAL A 14 5.173 -1.375 -12.233 1.00 0.00 C ATOM 202 C VAL A 14 5.538 -1.273 -13.709 1.00 0.00 C ATOM 203 O VAL A 14 5.684 -0.179 -14.252 1.00 0.00 O ATOM 204 CB VAL A 14 3.896 -0.552 -11.960 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.720 -1.103 -12.753 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.577 -0.533 -10.472 1.00 0.00 C ATOM 0 H VAL A 14 6.111 -0.065 -10.897 1.00 0.00 H new ATOM 0 HA VAL A 14 4.967 -2.412 -11.967 1.00 0.00 H new ATOM 0 HB VAL A 14 4.076 0.473 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.831 -0.508 -12.546 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.946 -1.058 -13.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.539 -2.138 -12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.673 0.052 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.421 -1.553 -10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.408 -0.085 -9.927 1.00 0.00 H new ATOM 216 N THR A 15 5.705 -2.420 -14.338 1.00 0.00 N ATOM 217 CA THR A 15 6.142 -2.487 -15.719 1.00 0.00 C ATOM 218 C THR A 15 4.958 -2.293 -16.665 1.00 0.00 C ATOM 219 O THR A 15 5.034 -1.532 -17.633 1.00 0.00 O ATOM 220 CB THR A 15 6.818 -3.843 -15.987 1.00 0.00 C ATOM 221 OG1 THR A 15 7.649 -4.184 -14.866 1.00 0.00 O ATOM 222 CG2 THR A 15 7.664 -3.791 -17.248 1.00 0.00 C ATOM 0 H THR A 15 5.542 -3.330 -13.907 1.00 0.00 H new ATOM 0 HA THR A 15 6.861 -1.688 -15.899 1.00 0.00 H new ATOM 0 HB THR A 15 6.044 -4.597 -16.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.483 -4.586 -15.187 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.130 -4.762 -17.414 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.032 -3.542 -18.100 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.438 -3.032 -17.136 1.00 0.00 H new ATOM 230 N ALA A 16 3.858 -2.967 -16.359 1.00 0.00 N ATOM 231 CA ALA A 16 2.643 -2.863 -17.150 1.00 0.00 C ATOM 232 C ALA A 16 1.425 -2.868 -16.238 1.00 0.00 C ATOM 233 O ALA A 16 1.456 -3.454 -15.154 1.00 0.00 O ATOM 234 CB ALA A 16 2.562 -4.000 -18.160 1.00 0.00 C ATOM 0 H ALA A 16 3.784 -3.597 -15.560 1.00 0.00 H new ATOM 0 HA ALA A 16 2.663 -1.922 -17.700 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.646 -3.905 -18.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.423 -3.956 -18.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.560 -4.955 -17.634 1.00 0.00 H new ATOM 240 N TYR A 17 0.362 -2.213 -16.666 1.00 0.00 N ATOM 241 CA TYR A 17 -0.839 -2.118 -15.856 1.00 0.00 C ATOM 242 C TYR A 17 -2.049 -2.545 -16.672 1.00 0.00 C ATOM 243 O TYR A 17 -2.254 -2.065 -17.786 1.00 0.00 O ATOM 244 CB TYR A 17 -1.019 -0.686 -15.342 1.00 0.00 C ATOM 245 CG TYR A 17 -2.036 -0.557 -14.229 1.00 0.00 C ATOM 246 CD1 TYR A 17 -1.689 -0.852 -12.918 1.00 0.00 C ATOM 247 CD2 TYR A 17 -3.336 -0.137 -14.485 1.00 0.00 C ATOM 248 CE1 TYR A 17 -2.607 -0.736 -11.892 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.261 -0.017 -13.463 1.00 0.00 C ATOM 250 CZ TYR A 17 -3.891 -0.319 -12.169 1.00 0.00 C ATOM 251 OH TYR A 17 -4.808 -0.202 -11.149 1.00 0.00 O ATOM 0 H TYR A 17 0.305 -1.740 -17.568 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.742 -2.783 -14.998 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.058 -0.314 -14.987 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.321 -0.048 -16.172 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.684 -1.178 -12.696 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.629 0.099 -15.497 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.320 -0.971 -10.878 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.267 0.311 -13.677 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.665 0.104 -11.513 1.00 0.00 H new ATOM 261 N GLY A 18 -2.833 -3.458 -16.124 1.00 0.00 N ATOM 262 CA GLY A 18 -4.017 -3.927 -16.809 1.00 0.00 C ATOM 263 C GLY A 18 -5.251 -3.816 -15.941 1.00 0.00 C ATOM 264 O GLY A 18 -5.211 -3.195 -14.880 1.00 0.00 O ATOM 0 H GLY A 18 -2.669 -3.885 -15.212 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.162 -3.349 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.876 -4.965 -17.109 1.00 0.00 H new ATOM 268 N ASP A 19 -6.342 -4.422 -16.385 1.00 0.00 N ATOM 269 CA ASP A 19 -7.600 -4.372 -15.660 1.00 0.00 C ATOM 270 C ASP A 19 -7.549 -5.252 -14.423 1.00 0.00 C ATOM 271 O ASP A 19 -7.694 -4.780 -13.298 1.00 0.00 O ATOM 272 CB ASP A 19 -8.742 -4.832 -16.563 1.00 0.00 C ATOM 273 CG ASP A 19 -8.906 -3.967 -17.794 1.00 0.00 C ATOM 274 OD1 ASP A 19 -8.161 -4.179 -18.775 1.00 0.00 O ATOM 275 OD2 ASP A 19 -9.787 -3.086 -17.799 1.00 0.00 O ATOM 0 H ASP A 19 -6.379 -4.958 -17.252 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.771 -3.341 -15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.563 -5.862 -16.871 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.672 -4.826 -15.995 1.00 0.00 H new ATOM 280 N GLY A 20 -7.345 -6.538 -14.644 1.00 0.00 N ATOM 281 CA GLY A 20 -7.326 -7.481 -13.547 1.00 0.00 C ATOM 282 C GLY A 20 -5.950 -8.049 -13.289 1.00 0.00 C ATOM 283 O GLY A 20 -5.820 -9.148 -12.751 1.00 0.00 O ATOM 0 H GLY A 20 -7.192 -6.948 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.686 -6.988 -12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.016 -8.296 -13.762 1.00 0.00 H new ATOM 287 N TYR A 21 -4.921 -7.309 -13.672 1.00 0.00 N ATOM 288 CA TYR A 21 -3.552 -7.751 -13.462 1.00 0.00 C ATOM 289 C TYR A 21 -2.607 -6.558 -13.401 1.00 0.00 C ATOM 290 O TYR A 21 -2.752 -5.596 -14.159 1.00 0.00 O ATOM 291 CB TYR A 21 -3.111 -8.730 -14.566 1.00 0.00 C ATOM 292 CG TYR A 21 -3.050 -8.132 -15.960 1.00 0.00 C ATOM 293 CD1 TYR A 21 -4.198 -7.983 -16.727 1.00 0.00 C ATOM 294 CD2 TYR A 21 -1.838 -7.729 -16.513 1.00 0.00 C ATOM 295 CE1 TYR A 21 -4.143 -7.450 -18.001 1.00 0.00 C ATOM 296 CE2 TYR A 21 -1.775 -7.192 -17.785 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.931 -7.055 -18.526 1.00 0.00 C ATOM 298 OH TYR A 21 -2.875 -6.522 -19.795 1.00 0.00 O ATOM 0 H TYR A 21 -5.008 -6.401 -14.129 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.511 -8.276 -12.508 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.127 -9.123 -14.311 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.799 -9.575 -14.578 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.151 -8.289 -16.321 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.930 -7.838 -15.938 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.046 -7.343 -18.583 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.826 -6.881 -18.197 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.947 -6.294 -20.014 1.00 0.00 H new ATOM 308 N ILE A 22 -1.663 -6.617 -12.481 1.00 0.00 N ATOM 309 CA ILE A 22 -0.639 -5.593 -12.363 1.00 0.00 C ATOM 310 C ILE A 22 0.732 -6.229 -12.534 1.00 0.00 C ATOM 311 O ILE A 22 1.099 -7.141 -11.794 1.00 0.00 O ATOM 312 CB ILE A 22 -0.708 -4.867 -11.003 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.089 -4.235 -10.810 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.382 -3.807 -10.909 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.268 -3.551 -9.472 1.00 0.00 C ATOM 0 H ILE A 22 -1.583 -7.370 -11.798 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.811 -4.852 -13.144 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.546 -5.597 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.260 -3.508 -11.604 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.850 -5.008 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.319 -3.305 -9.944 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.359 -4.280 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.249 -3.077 -11.707 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.271 -3.128 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.131 -4.277 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.531 -2.754 -9.369 1.00 0.00 H new ATOM 327 N GLU A 23 1.474 -5.765 -13.525 1.00 0.00 N ATOM 328 CA GLU A 23 2.764 -6.348 -13.838 1.00 0.00 C ATOM 329 C GLU A 23 3.878 -5.554 -13.169 1.00 0.00 C ATOM 330 O GLU A 23 4.239 -4.471 -13.620 1.00 0.00 O ATOM 331 CB GLU A 23 2.967 -6.384 -15.352 1.00 0.00 C ATOM 332 CG GLU A 23 4.165 -7.202 -15.793 1.00 0.00 C ATOM 333 CD GLU A 23 4.309 -7.251 -17.298 1.00 0.00 C ATOM 334 OE1 GLU A 23 3.322 -7.588 -17.985 1.00 0.00 O ATOM 335 OE2 GLU A 23 5.413 -6.964 -17.801 1.00 0.00 O ATOM 0 H GLU A 23 1.204 -4.986 -14.126 1.00 0.00 H new ATOM 0 HA GLU A 23 2.793 -7.369 -13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.070 -6.791 -15.819 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.082 -5.364 -15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.070 -6.779 -15.358 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.070 -8.217 -15.407 1.00 0.00 H new ATOM 342 N VAL A 24 4.401 -6.090 -12.082 1.00 0.00 N ATOM 343 CA VAL A 24 5.488 -5.451 -11.355 1.00 0.00 C ATOM 344 C VAL A 24 6.759 -6.266 -11.526 1.00 0.00 C ATOM 345 O VAL A 24 6.748 -7.478 -11.319 1.00 0.00 O ATOM 346 CB VAL A 24 5.162 -5.312 -9.851 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.284 -4.597 -9.114 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.845 -4.579 -9.657 1.00 0.00 C ATOM 0 H VAL A 24 4.089 -6.973 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 24 5.625 -4.450 -11.764 1.00 0.00 H new ATOM 0 HB VAL A 24 5.067 -6.314 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.029 -4.512 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.209 -5.165 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.419 -3.601 -9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.631 -4.490 -8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.914 -3.584 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.044 -5.136 -10.143 1.00 0.00 H new ATOM 358 N ASN A 25 7.842 -5.604 -11.934 1.00 0.00 N ATOM 359 CA ASN A 25 9.119 -6.279 -12.180 1.00 0.00 C ATOM 360 C ASN A 25 8.962 -7.317 -13.288 1.00 0.00 C ATOM 361 O ASN A 25 9.673 -8.324 -13.316 1.00 0.00 O ATOM 362 CB ASN A 25 9.639 -6.946 -10.898 1.00 0.00 C ATOM 363 CG ASN A 25 10.095 -5.945 -9.854 1.00 0.00 C ATOM 364 OD1 ASN A 25 9.684 -4.786 -9.863 1.00 0.00 O ATOM 365 ND2 ASN A 25 10.935 -6.394 -8.935 1.00 0.00 N ATOM 0 H ASN A 25 7.861 -4.598 -12.102 1.00 0.00 H new ATOM 0 HA ASN A 25 9.846 -5.531 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.853 -7.571 -10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.470 -7.605 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.266 -5.771 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.252 -7.363 -8.964 1.00 0.00 H new ATOM 372 N GLN A 26 8.037 -7.034 -14.208 1.00 0.00 N ATOM 373 CA GLN A 26 7.698 -7.932 -15.316 1.00 0.00 C ATOM 374 C GLN A 26 6.982 -9.190 -14.826 1.00 0.00 C ATOM 375 O GLN A 26 6.861 -10.171 -15.560 1.00 0.00 O ATOM 376 CB GLN A 26 8.939 -8.305 -16.132 1.00 0.00 C ATOM 377 CG GLN A 26 9.536 -7.139 -16.900 1.00 0.00 C ATOM 378 CD GLN A 26 10.752 -7.540 -17.709 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.498 -8.446 -17.325 1.00 0.00 O ATOM 380 NE2 GLN A 26 10.958 -6.876 -18.834 1.00 0.00 N ATOM 0 H GLN A 26 7.497 -6.168 -14.206 1.00 0.00 H new ATOM 0 HA GLN A 26 7.012 -7.389 -15.966 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.695 -8.712 -15.461 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.677 -9.096 -16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.781 -6.723 -17.567 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.813 -6.351 -16.200 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.316 -6.134 -19.113 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.759 -7.106 -19.422 1.00 0.00 H new ATOM 389 N VAL A 27 6.495 -9.155 -13.594 1.00 0.00 N ATOM 390 CA VAL A 27 5.702 -10.250 -13.053 1.00 0.00 C ATOM 391 C VAL A 27 4.249 -9.812 -12.917 1.00 0.00 C ATOM 392 O VAL A 27 3.949 -8.832 -12.236 1.00 0.00 O ATOM 393 CB VAL A 27 6.226 -10.723 -11.680 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.443 -11.933 -11.191 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.711 -11.040 -11.749 1.00 0.00 C ATOM 0 H VAL A 27 6.636 -8.378 -12.948 1.00 0.00 H new ATOM 0 HA VAL A 27 5.782 -11.087 -13.746 1.00 0.00 H new ATOM 0 HB VAL A 27 6.083 -9.912 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.829 -12.249 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.390 -11.670 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.548 -12.748 -11.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.058 -11.371 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.881 -11.830 -12.481 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.260 -10.147 -12.046 1.00 0.00 H new ATOM 405 N ARG A 28 3.351 -10.530 -13.573 1.00 0.00 N ATOM 406 CA ARG A 28 1.944 -10.160 -13.587 1.00 0.00 C ATOM 407 C ARG A 28 1.197 -10.751 -12.397 1.00 0.00 C ATOM 408 O ARG A 28 1.020 -11.965 -12.299 1.00 0.00 O ATOM 409 CB ARG A 28 1.292 -10.602 -14.897 1.00 0.00 C ATOM 410 CG ARG A 28 1.785 -9.823 -16.102 1.00 0.00 C ATOM 411 CD ARG A 28 1.095 -10.262 -17.378 1.00 0.00 C ATOM 412 NE ARG A 28 1.376 -9.357 -18.489 1.00 0.00 N ATOM 413 CZ ARG A 28 0.713 -9.371 -19.642 1.00 0.00 C ATOM 414 NH1 ARG A 28 -0.225 -10.288 -19.864 1.00 0.00 N ATOM 415 NH2 ARG A 28 0.988 -8.475 -20.578 1.00 0.00 N ATOM 0 H ARG A 28 3.571 -11.373 -14.103 1.00 0.00 H new ATOM 0 HA ARG A 28 1.885 -9.074 -13.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.488 -11.663 -15.053 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.211 -10.486 -14.815 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.611 -8.759 -15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.862 -9.958 -16.206 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.421 -11.269 -17.639 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.019 -10.309 -17.211 1.00 0.00 H new ATOM 0 HE ARG A 28 2.125 -8.674 -18.374 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.438 -10.983 -19.149 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.731 -10.296 -20.749 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.709 -7.773 -20.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.478 -8.488 -21.461 1.00 0.00 H new ATOM 429 N PHE A 29 0.773 -9.882 -11.494 1.00 0.00 N ATOM 430 CA PHE A 29 -0.002 -10.293 -10.334 1.00 0.00 C ATOM 431 C PHE A 29 -1.483 -10.011 -10.568 1.00 0.00 C ATOM 432 O PHE A 29 -1.866 -8.878 -10.857 1.00 0.00 O ATOM 433 CB PHE A 29 0.472 -9.553 -9.082 1.00 0.00 C ATOM 434 CG PHE A 29 1.934 -9.733 -8.779 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.379 -10.845 -8.082 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.862 -8.787 -9.184 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.722 -11.008 -7.795 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.204 -8.944 -8.901 1.00 0.00 C ATOM 439 CZ PHE A 29 4.635 -10.056 -8.206 1.00 0.00 C ATOM 0 H PHE A 29 0.954 -8.879 -11.543 1.00 0.00 H new ATOM 0 HA PHE A 29 0.142 -11.363 -10.185 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.265 -8.490 -9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.110 -9.897 -8.227 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.669 -11.592 -7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.531 -7.915 -9.728 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.057 -11.878 -7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.916 -8.198 -9.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.684 -10.182 -7.984 1.00 0.00 H new ATOM 449 N SER A 30 -2.307 -11.040 -10.449 1.00 0.00 N ATOM 450 CA SER A 30 -3.742 -10.901 -10.660 1.00 0.00 C ATOM 451 C SER A 30 -4.487 -10.744 -9.333 1.00 0.00 C ATOM 452 O SER A 30 -5.685 -11.006 -9.245 1.00 0.00 O ATOM 453 CB SER A 30 -4.260 -12.119 -11.426 1.00 0.00 C ATOM 454 OG SER A 30 -3.768 -13.323 -10.855 1.00 0.00 O ATOM 0 H SER A 30 -2.007 -11.984 -10.207 1.00 0.00 H new ATOM 0 HA SER A 30 -3.924 -9.999 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.350 -12.125 -11.414 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.953 -12.055 -12.470 1.00 0.00 H new ATOM 0 HG SER A 30 -4.113 -14.089 -11.359 1.00 0.00 H new ATOM 460 N HIS A 31 -3.772 -10.299 -8.307 1.00 0.00 N ATOM 461 CA HIS A 31 -4.356 -10.130 -6.979 1.00 0.00 C ATOM 462 C HIS A 31 -3.639 -9.023 -6.219 1.00 0.00 C ATOM 463 O HIS A 31 -2.610 -8.525 -6.675 1.00 0.00 O ATOM 464 CB HIS A 31 -4.307 -11.444 -6.182 1.00 0.00 C ATOM 465 CG HIS A 31 -2.947 -12.080 -6.120 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.631 -13.230 -6.810 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.826 -11.732 -5.441 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.378 -13.561 -6.563 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.868 -12.669 -5.736 1.00 0.00 N ATOM 0 H HIS A 31 -2.785 -10.048 -8.368 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.402 -9.848 -7.105 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.652 -11.252 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -5.006 -12.152 -6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.709 -10.878 -4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.858 -14.416 -6.969 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.086 -12.675 -5.374 1.00 0.00 H new ATOM 478 N ALA A 32 -4.184 -8.657 -5.062 1.00 0.00 N ATOM 479 CA ALA A 32 -3.628 -7.581 -4.246 1.00 0.00 C ATOM 480 C ALA A 32 -2.186 -7.868 -3.845 1.00 0.00 C ATOM 481 O ALA A 32 -1.844 -8.989 -3.451 1.00 0.00 O ATOM 482 CB ALA A 32 -4.484 -7.354 -3.011 1.00 0.00 C ATOM 0 H ALA A 32 -5.016 -9.094 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.631 -6.674 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.055 -6.549 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.495 -7.082 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.516 -8.268 -2.418 1.00 0.00 H new ATOM 488 N ILE A 33 -1.347 -6.850 -3.955 1.00 0.00 N ATOM 489 CA ILE A 33 0.073 -6.979 -3.659 1.00 0.00 C ATOM 490 C ILE A 33 0.597 -5.745 -2.939 1.00 0.00 C ATOM 491 O ILE A 33 0.155 -4.625 -3.203 1.00 0.00 O ATOM 492 CB ILE A 33 0.907 -7.194 -4.942 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.543 -6.141 -5.998 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.705 -8.603 -5.483 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.365 -6.231 -7.264 1.00 0.00 C ATOM 0 H ILE A 33 -1.628 -5.915 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 33 0.178 -7.852 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 33 1.962 -7.078 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.511 -6.246 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.668 -5.149 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.300 -8.735 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.018 -9.329 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.349 -8.755 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.048 -5.454 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.419 -6.094 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.221 -7.209 -7.722 1.00 0.00 H new ATOM 507 N ALA A 34 1.531 -5.961 -2.028 1.00 0.00 N ATOM 508 CA ALA A 34 2.183 -4.875 -1.316 1.00 0.00 C ATOM 509 C ALA A 34 3.690 -5.004 -1.463 1.00 0.00 C ATOM 510 O ALA A 34 4.268 -6.034 -1.114 1.00 0.00 O ATOM 511 CB ALA A 34 1.782 -4.882 0.152 1.00 0.00 C ATOM 0 H ALA A 34 1.858 -6.890 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 34 1.866 -3.925 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.280 -4.062 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.702 -4.761 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.076 -5.829 0.605 1.00 0.00 H new ATOM 517 N PHE A 35 4.327 -3.977 -1.998 1.00 0.00 N ATOM 518 CA PHE A 35 5.757 -4.034 -2.262 1.00 0.00 C ATOM 519 C PHE A 35 6.429 -2.691 -2.015 1.00 0.00 C ATOM 520 O PHE A 35 5.794 -1.636 -2.096 1.00 0.00 O ATOM 521 CB PHE A 35 6.022 -4.512 -3.696 1.00 0.00 C ATOM 522 CG PHE A 35 5.337 -3.701 -4.765 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.024 -3.970 -5.125 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.009 -2.682 -5.420 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.398 -3.238 -6.113 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.386 -1.945 -6.409 1.00 0.00 C ATOM 527 CZ PHE A 35 4.079 -2.223 -6.757 1.00 0.00 C ATOM 0 H PHE A 35 3.881 -3.097 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 35 6.191 -4.752 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.097 -4.494 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.701 -5.550 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.486 -4.762 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.032 -2.461 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.376 -3.458 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.921 -1.152 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.591 -1.649 -7.530 1.00 0.00 H new ATOM 537 N ALA A 36 7.713 -2.750 -1.693 1.00 0.00 N ATOM 538 CA ALA A 36 8.514 -1.560 -1.451 1.00 0.00 C ATOM 539 C ALA A 36 9.895 -1.727 -2.066 1.00 0.00 C ATOM 540 O ALA A 36 10.328 -2.853 -2.313 1.00 0.00 O ATOM 541 CB ALA A 36 8.641 -1.305 0.042 1.00 0.00 C ATOM 0 H ALA A 36 8.228 -3.624 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 36 8.019 -0.706 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.243 -0.412 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.650 -1.160 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.121 -2.160 0.518 1.00 0.00 H new ATOM 547 N PRO A 37 10.598 -0.617 -2.331 1.00 0.00 N ATOM 548 CA PRO A 37 11.987 -0.663 -2.788 1.00 0.00 C ATOM 549 C PRO A 37 12.886 -1.384 -1.785 1.00 0.00 C ATOM 550 O PRO A 37 12.789 -1.157 -0.578 1.00 0.00 O ATOM 551 CB PRO A 37 12.388 0.814 -2.911 1.00 0.00 C ATOM 552 CG PRO A 37 11.356 1.573 -2.146 1.00 0.00 C ATOM 553 CD PRO A 37 10.099 0.761 -2.227 1.00 0.00 C ATOM 0 HA PRO A 37 12.092 -1.212 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.384 0.985 -2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.413 1.128 -3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.664 1.713 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.207 2.566 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.473 0.898 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.496 1.037 -3.092 1.00 0.00 H new ATOM 561 N GLU A 38 13.746 -2.262 -2.308 1.00 0.00 N ATOM 562 CA GLU A 38 14.662 -3.076 -1.499 1.00 0.00 C ATOM 563 C GLU A 38 13.904 -4.134 -0.707 1.00 0.00 C ATOM 564 O GLU A 38 14.435 -4.730 0.232 1.00 0.00 O ATOM 565 CB GLU A 38 15.505 -2.209 -0.556 1.00 0.00 C ATOM 566 CG GLU A 38 16.239 -1.086 -1.262 1.00 0.00 C ATOM 567 CD GLU A 38 17.230 -0.380 -0.364 1.00 0.00 C ATOM 568 OE1 GLU A 38 16.841 0.589 0.314 1.00 0.00 O ATOM 569 OE2 GLU A 38 18.411 -0.784 -0.338 1.00 0.00 O ATOM 0 H GLU A 38 13.828 -2.430 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 38 15.338 -3.579 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.857 -1.784 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.231 -2.842 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.763 -1.489 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.514 -0.363 -1.636 1.00 0.00 H new ATOM 576 N GLY A 39 12.672 -4.383 -1.115 1.00 0.00 N ATOM 577 CA GLY A 39 11.859 -5.378 -0.455 1.00 0.00 C ATOM 578 C GLY A 39 11.161 -6.279 -1.451 1.00 0.00 C ATOM 579 O GLY A 39 11.177 -6.005 -2.651 1.00 0.00 O ATOM 0 H GLY A 39 12.218 -3.910 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.484 -5.980 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.117 -4.884 0.172 1.00 0.00 H new ATOM 583 N PRO A 40 10.549 -7.375 -0.985 1.00 0.00 N ATOM 584 CA PRO A 40 9.826 -8.299 -1.854 1.00 0.00 C ATOM 585 C PRO A 40 8.414 -7.809 -2.171 1.00 0.00 C ATOM 586 O PRO A 40 7.979 -6.765 -1.677 1.00 0.00 O ATOM 587 CB PRO A 40 9.773 -9.575 -1.016 1.00 0.00 C ATOM 588 CG PRO A 40 9.737 -9.095 0.395 1.00 0.00 C ATOM 589 CD PRO A 40 10.517 -7.804 0.426 1.00 0.00 C ATOM 0 HA PRO A 40 10.307 -8.422 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.892 -10.170 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.643 -10.206 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.710 -8.936 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.178 -9.831 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.033 -7.060 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.522 -7.954 0.821 1.00 0.00 H new ATOM 597 N VAL A 41 7.709 -8.561 -3.000 1.00 0.00 N ATOM 598 CA VAL A 41 6.325 -8.255 -3.319 1.00 0.00 C ATOM 599 C VAL A 41 5.413 -9.195 -2.543 1.00 0.00 C ATOM 600 O VAL A 41 5.269 -10.366 -2.895 1.00 0.00 O ATOM 601 CB VAL A 41 6.038 -8.383 -4.831 1.00 0.00 C ATOM 602 CG1 VAL A 41 4.610 -7.958 -5.144 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.032 -7.562 -5.638 1.00 0.00 C ATOM 0 H VAL A 41 8.075 -9.391 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 41 6.134 -7.220 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 41 6.152 -9.430 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.428 -8.055 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.913 -8.594 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.465 -6.920 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.812 -7.666 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.954 -6.513 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.043 -7.918 -5.440 1.00 0.00 H new ATOM 613 N ALA A 42 4.819 -8.687 -1.479 1.00 0.00 N ATOM 614 CA ALA A 42 4.009 -9.506 -0.594 1.00 0.00 C ATOM 615 C ALA A 42 2.601 -9.676 -1.142 1.00 0.00 C ATOM 616 O ALA A 42 1.980 -8.714 -1.598 1.00 0.00 O ATOM 617 CB ALA A 42 3.968 -8.890 0.798 1.00 0.00 C ATOM 0 H ALA A 42 4.882 -7.706 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 42 4.465 -10.494 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.358 -9.512 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.980 -8.826 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.536 -7.891 0.741 1.00 0.00 H new ATOM 623 N SER A 43 2.112 -10.904 -1.110 1.00 0.00 N ATOM 624 CA SER A 43 0.760 -11.195 -1.541 1.00 0.00 C ATOM 625 C SER A 43 -0.232 -10.787 -0.459 1.00 0.00 C ATOM 626 O SER A 43 -0.188 -11.294 0.664 1.00 0.00 O ATOM 627 CB SER A 43 0.628 -12.683 -1.876 1.00 0.00 C ATOM 628 OG SER A 43 1.297 -13.481 -0.914 1.00 0.00 O ATOM 0 H SER A 43 2.636 -11.718 -0.788 1.00 0.00 H new ATOM 0 HA SER A 43 0.537 -10.621 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.426 -12.959 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.043 -12.875 -2.865 1.00 0.00 H new ATOM 0 HG SER A 43 1.129 -13.123 -0.018 1.00 0.00 H new ATOM 634 N TRP A 44 -1.113 -9.862 -0.800 1.00 0.00 N ATOM 635 CA TRP A 44 -2.056 -9.316 0.161 1.00 0.00 C ATOM 636 C TRP A 44 -3.404 -10.019 0.015 1.00 0.00 C ATOM 637 O TRP A 44 -4.010 -9.993 -1.055 1.00 0.00 O ATOM 638 CB TRP A 44 -2.192 -7.807 -0.068 1.00 0.00 C ATOM 639 CG TRP A 44 -2.430 -7.013 1.180 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.938 -7.272 2.428 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.192 -5.806 1.294 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.361 -6.310 3.313 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.132 -5.397 2.641 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.927 -5.034 0.388 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.776 -4.249 3.100 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.565 -3.896 0.844 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.485 -3.514 2.189 1.00 0.00 C ATOM 0 H TRP A 44 -1.195 -9.472 -1.739 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.695 -9.482 1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.285 -7.441 -0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.015 -7.629 -0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.308 -8.111 2.682 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.138 -6.280 4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.995 -5.323 -0.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.718 -3.951 4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.134 -3.292 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.994 -2.619 2.515 1.00 0.00 H new ATOM 658 N PRO A 45 -3.883 -10.671 1.087 1.00 0.00 N ATOM 659 CA PRO A 45 -5.124 -11.458 1.066 1.00 0.00 C ATOM 660 C PRO A 45 -6.383 -10.590 1.116 1.00 0.00 C ATOM 661 O PRO A 45 -7.442 -11.032 1.571 1.00 0.00 O ATOM 662 CB PRO A 45 -5.029 -12.323 2.334 1.00 0.00 C ATOM 663 CG PRO A 45 -3.678 -12.056 2.922 1.00 0.00 C ATOM 664 CD PRO A 45 -3.256 -10.712 2.409 1.00 0.00 C ATOM 0 HA PRO A 45 -5.212 -12.030 0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.819 -12.066 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.147 -13.380 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.720 -12.061 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.966 -12.826 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.607 -9.904 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.171 -10.623 2.348 1.00 0.00 H new ATOM 672 N VAL A 46 -6.269 -9.363 0.637 1.00 0.00 N ATOM 673 CA VAL A 46 -7.382 -8.431 0.656 1.00 0.00 C ATOM 674 C VAL A 46 -8.006 -8.311 -0.727 1.00 0.00 C ATOM 675 O VAL A 46 -7.385 -7.798 -1.652 1.00 0.00 O ATOM 676 CB VAL A 46 -6.940 -7.035 1.141 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.109 -6.061 1.137 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.329 -7.125 2.526 1.00 0.00 C ATOM 0 H VAL A 46 -5.413 -8.988 0.229 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.121 -8.824 1.354 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.185 -6.659 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.770 -5.085 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.504 -5.970 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.892 -6.429 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.022 -6.132 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.065 -7.526 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.460 -7.782 2.498 1.00 0.00 H new ATOM 688 N GLN A 47 -9.219 -8.819 -0.864 1.00 0.00 N ATOM 689 CA GLN A 47 -9.975 -8.664 -2.099 1.00 0.00 C ATOM 690 C GLN A 47 -11.197 -7.791 -1.843 1.00 0.00 C ATOM 691 O GLN A 47 -11.838 -7.299 -2.772 1.00 0.00 O ATOM 692 CB GLN A 47 -10.404 -10.030 -2.647 1.00 0.00 C ATOM 693 CG GLN A 47 -9.237 -10.961 -2.942 1.00 0.00 C ATOM 694 CD GLN A 47 -9.669 -12.290 -3.541 1.00 0.00 C ATOM 695 OE1 GLN A 47 -10.865 -12.742 -3.199 1.00 0.00 O flip ATOM 696 NE2 GLN A 47 -8.928 -12.907 -4.304 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.703 -9.343 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.339 -8.184 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.067 -10.509 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.979 -9.881 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.550 -10.466 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.687 -11.147 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.013 -12.527 -4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.229 -13.799 -4.696 1.00 0.00 H new ATOM 705 N ARG A 48 -11.500 -7.592 -0.568 1.00 0.00 N ATOM 706 CA ARG A 48 -12.647 -6.796 -0.161 1.00 0.00 C ATOM 707 C ARG A 48 -12.193 -5.410 0.278 1.00 0.00 C ATOM 708 O ARG A 48 -11.222 -5.278 1.021 1.00 0.00 O ATOM 709 CB ARG A 48 -13.379 -7.473 0.997 1.00 0.00 C ATOM 710 CG ARG A 48 -13.855 -8.884 0.701 1.00 0.00 C ATOM 711 CD ARG A 48 -14.361 -9.563 1.964 1.00 0.00 C ATOM 712 NE ARG A 48 -15.440 -8.808 2.599 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.366 -8.266 3.815 1.00 0.00 C ATOM 714 NH1 ARG A 48 -14.263 -8.398 4.547 1.00 0.00 N ATOM 715 NH2 ARG A 48 -16.402 -7.591 4.294 1.00 0.00 N ATOM 0 H ARG A 48 -10.961 -7.975 0.208 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.322 -6.707 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.717 -7.500 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.239 -6.863 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.650 -8.855 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.038 -9.465 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.715 -10.565 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.537 -9.679 2.668 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.308 -8.688 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.466 -8.917 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.215 -7.980 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.248 -7.489 3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.353 -7.173 5.223 1.00 0.00 H new ATOM 729 N PRO A 49 -12.891 -4.355 -0.162 1.00 0.00 N ATOM 730 CA PRO A 49 -12.572 -2.976 0.230 1.00 0.00 C ATOM 731 C PRO A 49 -12.675 -2.763 1.742 1.00 0.00 C ATOM 732 O PRO A 49 -11.920 -1.987 2.325 1.00 0.00 O ATOM 733 CB PRO A 49 -13.627 -2.137 -0.502 1.00 0.00 C ATOM 734 CG PRO A 49 -14.114 -3.009 -1.608 1.00 0.00 C ATOM 735 CD PRO A 49 -14.031 -4.415 -1.089 1.00 0.00 C ATOM 0 HA PRO A 49 -11.547 -2.709 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.441 -1.856 0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.198 -1.213 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.137 -2.754 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.502 -2.885 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.949 -4.714 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.862 -5.133 -1.892 1.00 0.00 H new ATOM 743 N ALA A 50 -13.609 -3.467 2.369 1.00 0.00 N ATOM 744 CA ALA A 50 -13.838 -3.339 3.805 1.00 0.00 C ATOM 745 C ALA A 50 -13.079 -4.407 4.589 1.00 0.00 C ATOM 746 O ALA A 50 -13.285 -4.573 5.795 1.00 0.00 O ATOM 747 CB ALA A 50 -15.327 -3.423 4.104 1.00 0.00 C ATOM 0 H ALA A 50 -14.223 -4.136 1.904 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.463 -2.366 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.489 -3.327 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.848 -2.619 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.713 -4.384 3.764 1.00 0.00 H new ATOM 753 N ASP A 51 -12.206 -5.129 3.902 1.00 0.00 N ATOM 754 CA ASP A 51 -11.448 -6.212 4.522 1.00 0.00 C ATOM 755 C ASP A 51 -10.200 -5.659 5.196 1.00 0.00 C ATOM 756 O ASP A 51 -9.681 -6.238 6.154 1.00 0.00 O ATOM 757 CB ASP A 51 -11.053 -7.243 3.466 1.00 0.00 C ATOM 758 CG ASP A 51 -10.847 -8.630 4.035 1.00 0.00 C ATOM 759 OD1 ASP A 51 -9.741 -8.927 4.524 1.00 0.00 O ATOM 760 OD2 ASP A 51 -11.793 -9.444 3.953 1.00 0.00 O ATOM 0 H ASP A 51 -12.003 -4.986 2.913 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.073 -6.693 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.827 -7.283 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.135 -6.918 2.976 1.00 0.00 H new ATOM 765 N ILE A 52 -9.735 -4.519 4.690 1.00 0.00 N ATOM 766 CA ILE A 52 -8.520 -3.881 5.182 1.00 0.00 C ATOM 767 C ILE A 52 -8.594 -3.616 6.682 1.00 0.00 C ATOM 768 O ILE A 52 -9.359 -2.771 7.144 1.00 0.00 O ATOM 769 CB ILE A 52 -8.251 -2.551 4.448 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.207 -2.779 2.935 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.946 -1.931 4.932 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.038 -1.508 2.132 1.00 0.00 C ATOM 0 H ILE A 52 -10.190 -4.014 3.929 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.701 -4.573 4.985 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.064 -1.860 4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.386 -3.457 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.127 -3.275 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.771 -0.993 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.010 -1.738 6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.122 -2.617 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.016 -1.749 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.872 -0.836 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.104 -1.021 2.413 1.00 0.00 H new ATOM 784 N THR A 53 -7.803 -4.363 7.428 1.00 0.00 N ATOM 785 CA THR A 53 -7.728 -4.210 8.865 1.00 0.00 C ATOM 786 C THR A 53 -6.348 -3.667 9.241 1.00 0.00 C ATOM 787 O THR A 53 -5.392 -3.849 8.487 1.00 0.00 O ATOM 788 CB THR A 53 -7.978 -5.566 9.558 1.00 0.00 C ATOM 789 OG1 THR A 53 -9.140 -6.190 8.993 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.178 -5.401 11.056 1.00 0.00 C ATOM 0 H THR A 53 -7.195 -5.092 7.054 1.00 0.00 H new ATOM 0 HA THR A 53 -8.494 -3.509 9.197 1.00 0.00 H new ATOM 0 HB THR A 53 -7.098 -6.189 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.049 -6.229 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.351 -6.377 11.510 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.288 -4.950 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.039 -4.758 11.239 1.00 0.00 H new ATOM 798 N ALA A 54 -6.243 -3.004 10.391 1.00 0.00 N ATOM 799 CA ALA A 54 -4.973 -2.434 10.839 1.00 0.00 C ATOM 800 C ALA A 54 -3.890 -3.507 10.923 1.00 0.00 C ATOM 801 O ALA A 54 -2.731 -3.264 10.588 1.00 0.00 O ATOM 802 CB ALA A 54 -5.148 -1.751 12.185 1.00 0.00 C ATOM 0 H ALA A 54 -7.022 -2.848 11.030 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.656 -1.692 10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.195 -1.331 12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.884 -0.952 12.095 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.490 -2.479 12.921 1.00 0.00 H new ATOM 808 N SER A 55 -4.285 -4.693 11.368 1.00 0.00 N ATOM 809 CA SER A 55 -3.394 -5.843 11.426 1.00 0.00 C ATOM 810 C SER A 55 -2.816 -6.151 10.041 1.00 0.00 C ATOM 811 O SER A 55 -1.619 -6.409 9.896 1.00 0.00 O ATOM 812 CB SER A 55 -4.161 -7.056 11.965 1.00 0.00 C ATOM 813 OG SER A 55 -3.292 -8.136 12.250 1.00 0.00 O ATOM 0 H SER A 55 -5.231 -4.884 11.698 1.00 0.00 H new ATOM 0 HA SER A 55 -2.564 -5.614 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.701 -6.774 12.869 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.906 -7.371 11.234 1.00 0.00 H new ATOM 0 HG SER A 55 -3.812 -8.893 12.593 1.00 0.00 H new ATOM 819 N LEU A 56 -3.670 -6.088 9.024 1.00 0.00 N ATOM 820 CA LEU A 56 -3.260 -6.381 7.655 1.00 0.00 C ATOM 821 C LEU A 56 -2.339 -5.287 7.128 1.00 0.00 C ATOM 822 O LEU A 56 -1.500 -5.531 6.261 1.00 0.00 O ATOM 823 CB LEU A 56 -4.485 -6.515 6.744 1.00 0.00 C ATOM 824 CG LEU A 56 -5.494 -7.590 7.155 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.668 -7.613 6.191 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.829 -8.957 7.214 1.00 0.00 C ATOM 0 H LEU A 56 -4.653 -5.836 9.123 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.718 -7.327 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.998 -5.554 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.142 -6.730 5.732 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.867 -7.347 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.376 -8.383 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.163 -6.642 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.309 -7.831 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.564 -9.707 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.427 -9.209 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.020 -8.937 7.944 1.00 0.00 H new ATOM 838 N LEU A 57 -2.502 -4.082 7.660 1.00 0.00 N ATOM 839 CA LEU A 57 -1.652 -2.957 7.291 1.00 0.00 C ATOM 840 C LEU A 57 -0.251 -3.140 7.863 1.00 0.00 C ATOM 841 O LEU A 57 0.738 -2.766 7.237 1.00 0.00 O ATOM 842 CB LEU A 57 -2.260 -1.642 7.785 1.00 0.00 C ATOM 843 CG LEU A 57 -3.596 -1.259 7.148 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.146 0.007 7.786 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.436 -1.070 5.647 1.00 0.00 C ATOM 0 H LEU A 57 -3.218 -3.858 8.351 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.582 -2.919 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.397 -1.707 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.546 -0.839 7.602 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.304 -2.069 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.097 0.265 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.297 -0.159 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.438 0.824 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.397 -0.798 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.713 -0.278 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.084 -1.999 5.199 1.00 0.00 H new ATOM 857 N GLN A 58 -0.177 -3.728 9.053 1.00 0.00 N ATOM 858 CA GLN A 58 1.105 -4.026 9.685 1.00 0.00 C ATOM 859 C GLN A 58 1.885 -5.029 8.841 1.00 0.00 C ATOM 860 O GLN A 58 3.098 -4.902 8.660 1.00 0.00 O ATOM 861 CB GLN A 58 0.892 -4.583 11.095 1.00 0.00 C ATOM 862 CG GLN A 58 0.187 -3.617 12.035 1.00 0.00 C ATOM 863 CD GLN A 58 -0.085 -4.219 13.402 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.281 -5.428 13.539 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.101 -3.378 14.424 1.00 0.00 N ATOM 0 H GLN A 58 -0.991 -4.008 9.600 1.00 0.00 H new ATOM 0 HA GLN A 58 1.677 -3.101 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.309 -5.502 11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.859 -4.849 11.521 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.797 -2.721 12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.756 -3.304 11.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.066 -2.384 14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.280 -3.724 15.367 1.00 0.00 H new ATOM 874 N GLN A 59 1.171 -6.018 8.318 1.00 0.00 N ATOM 875 CA GLN A 59 1.767 -7.019 7.442 1.00 0.00 C ATOM 876 C GLN A 59 2.221 -6.377 6.133 1.00 0.00 C ATOM 877 O GLN A 59 3.327 -6.631 5.654 1.00 0.00 O ATOM 878 CB GLN A 59 0.758 -8.134 7.151 1.00 0.00 C ATOM 879 CG GLN A 59 0.254 -8.847 8.396 1.00 0.00 C ATOM 880 CD GLN A 59 -0.852 -9.838 8.088 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.620 -9.657 7.145 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.946 -10.892 8.886 1.00 0.00 N ATOM 0 H GLN A 59 0.174 -6.149 8.486 1.00 0.00 H new ATOM 0 HA GLN A 59 2.635 -7.446 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.093 -7.711 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.220 -8.865 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.083 -9.369 8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.111 -8.110 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.290 -11.007 9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.675 -11.588 8.728 1.00 0.00 H new ATOM 891 N ALA A 60 1.367 -5.520 5.582 1.00 0.00 N ATOM 892 CA ALA A 60 1.637 -4.859 4.307 1.00 0.00 C ATOM 893 C ALA A 60 2.787 -3.861 4.415 1.00 0.00 C ATOM 894 O ALA A 60 3.380 -3.479 3.409 1.00 0.00 O ATOM 895 CB ALA A 60 0.383 -4.159 3.806 1.00 0.00 C ATOM 0 H ALA A 60 0.474 -5.264 6.002 1.00 0.00 H new ATOM 0 HA ALA A 60 1.934 -5.628 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.595 -3.670 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.412 -4.892 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.066 -3.413 4.535 1.00 0.00 H new ATOM 901 N ALA A 61 3.096 -3.440 5.636 1.00 0.00 N ATOM 902 CA ALA A 61 4.187 -2.502 5.866 1.00 0.00 C ATOM 903 C ALA A 61 5.540 -3.204 5.788 1.00 0.00 C ATOM 904 O ALA A 61 6.588 -2.563 5.860 1.00 0.00 O ATOM 905 CB ALA A 61 4.020 -1.820 7.217 1.00 0.00 C ATOM 0 H ALA A 61 2.606 -3.734 6.481 1.00 0.00 H new ATOM 0 HA ALA A 61 4.155 -1.745 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.842 -1.122 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.074 -1.278 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.024 -2.571 8.007 1.00 0.00 H new ATOM 911 N GLY A 62 5.508 -4.525 5.655 1.00 0.00 N ATOM 912 CA GLY A 62 6.732 -5.294 5.550 1.00 0.00 C ATOM 913 C GLY A 62 7.244 -5.739 6.904 1.00 0.00 C ATOM 914 O GLY A 62 8.220 -6.483 6.998 1.00 0.00 O ATOM 0 H GLY A 62 4.652 -5.078 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.557 -6.169 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.495 -4.694 5.054 1.00 0.00 H new ATOM 918 N LEU A 63 6.558 -5.312 7.955 1.00 0.00 N ATOM 919 CA LEU A 63 6.972 -5.600 9.324 1.00 0.00 C ATOM 920 C LEU A 63 6.476 -6.973 9.767 1.00 0.00 C ATOM 921 O LEU A 63 6.129 -7.185 10.931 1.00 0.00 O ATOM 922 CB LEU A 63 6.439 -4.515 10.258 1.00 0.00 C ATOM 923 CG LEU A 63 6.881 -3.094 9.909 1.00 0.00 C ATOM 924 CD1 LEU A 63 6.199 -2.093 10.819 1.00 0.00 C ATOM 925 CD2 LEU A 63 8.393 -2.963 10.013 1.00 0.00 C ATOM 0 H LEU A 63 5.704 -4.759 7.885 1.00 0.00 H new ATOM 0 HA LEU A 63 8.061 -5.609 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.350 -4.553 10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.760 -4.741 11.275 1.00 0.00 H new ATOM 0 HG LEU A 63 6.589 -2.884 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.523 -1.085 10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.118 -2.169 10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.464 -2.304 11.855 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.688 -1.944 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.709 -3.191 11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.867 -3.660 9.322 1.00 0.00 H new ATOM 1274 N ALA A 88 11.586 2.283 8.891 1.00 0.00 N ATOM 1275 CA ALA A 88 10.168 2.114 8.602 1.00 0.00 C ATOM 1276 C ALA A 88 9.694 3.159 7.595 1.00 0.00 C ATOM 1277 O ALA A 88 10.160 4.301 7.611 1.00 0.00 O ATOM 1278 CB ALA A 88 9.354 2.196 9.888 1.00 0.00 C ATOM 0 HA ALA A 88 10.020 1.128 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.296 2.068 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.674 1.410 10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.509 3.169 10.355 1.00 0.00 H new ATOM 1284 N PRO A 89 8.777 2.771 6.696 1.00 0.00 N ATOM 1285 CA PRO A 89 8.283 3.646 5.630 1.00 0.00 C ATOM 1286 C PRO A 89 7.664 4.934 6.156 1.00 0.00 C ATOM 1287 O PRO A 89 6.877 4.915 7.101 1.00 0.00 O ATOM 1288 CB PRO A 89 7.216 2.802 4.923 1.00 0.00 C ATOM 1289 CG PRO A 89 6.885 1.707 5.877 1.00 0.00 C ATOM 1290 CD PRO A 89 8.142 1.446 6.649 1.00 0.00 C ATOM 0 HA PRO A 89 9.097 3.967 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.335 3.399 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.591 2.403 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.072 1.999 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.558 0.812 5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.931 1.063 7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.776 0.711 6.153 1.00 0.00 H new ATOM 1298 N GLU A 90 8.027 6.051 5.534 1.00 0.00 N ATOM 1299 CA GLU A 90 7.430 7.330 5.874 1.00 0.00 C ATOM 1300 C GLU A 90 5.972 7.328 5.469 1.00 0.00 C ATOM 1301 O GLU A 90 5.120 7.895 6.156 1.00 0.00 O ATOM 1302 CB GLU A 90 8.125 8.490 5.158 1.00 0.00 C ATOM 1303 CG GLU A 90 9.604 8.633 5.463 1.00 0.00 C ATOM 1304 CD GLU A 90 10.134 9.997 5.067 1.00 0.00 C ATOM 1305 OE1 GLU A 90 9.555 10.628 4.150 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.111 10.458 5.686 1.00 0.00 O ATOM 0 H GLU A 90 8.729 6.093 4.795 1.00 0.00 H new ATOM 0 HA GLU A 90 7.539 7.468 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.001 8.361 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.622 9.418 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.772 8.474 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.160 7.860 4.933 1.00 0.00 H new ATOM 1313 N VAL A 91 5.689 6.688 4.342 1.00 0.00 N ATOM 1314 CA VAL A 91 4.342 6.692 3.802 1.00 0.00 C ATOM 1315 C VAL A 91 3.947 5.325 3.236 1.00 0.00 C ATOM 1316 O VAL A 91 4.733 4.657 2.557 1.00 0.00 O ATOM 1317 CB VAL A 91 4.187 7.793 2.724 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.234 7.643 1.632 1.00 0.00 C ATOM 1319 CG2 VAL A 91 2.787 7.789 2.130 1.00 0.00 C ATOM 0 H VAL A 91 6.369 6.165 3.791 1.00 0.00 H new ATOM 0 HA VAL A 91 3.664 6.911 4.627 1.00 0.00 H new ATOM 0 HB VAL A 91 4.343 8.755 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.100 8.430 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.229 7.722 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.124 6.670 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.709 8.573 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.590 6.821 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.057 7.970 2.919 1.00 0.00 H new ATOM 1329 N LEU A 92 2.730 4.913 3.560 1.00 0.00 N ATOM 1330 CA LEU A 92 2.139 3.698 3.023 1.00 0.00 C ATOM 1331 C LEU A 92 0.986 4.068 2.099 1.00 0.00 C ATOM 1332 O LEU A 92 0.031 4.720 2.522 1.00 0.00 O ATOM 1333 CB LEU A 92 1.633 2.800 4.158 1.00 0.00 C ATOM 1334 CG LEU A 92 0.907 1.526 3.712 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.861 0.581 3.000 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.262 0.835 4.902 1.00 0.00 C ATOM 0 H LEU A 92 2.122 5.416 4.207 1.00 0.00 H new ATOM 0 HA LEU A 92 2.896 3.149 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.482 2.516 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.958 3.382 4.786 1.00 0.00 H new ATOM 0 HG LEU A 92 0.123 1.810 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.323 -0.316 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.274 1.075 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.671 0.305 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.249 -0.067 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.030 0.568 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.459 1.508 5.367 1.00 0.00 H new ATOM 1348 N LEU A 93 1.081 3.664 0.845 1.00 0.00 N ATOM 1349 CA LEU A 93 0.074 4.011 -0.145 1.00 0.00 C ATOM 1350 C LEU A 93 -0.860 2.837 -0.404 1.00 0.00 C ATOM 1351 O LEU A 93 -0.451 1.814 -0.951 1.00 0.00 O ATOM 1352 CB LEU A 93 0.741 4.448 -1.449 1.00 0.00 C ATOM 1353 CG LEU A 93 1.639 5.680 -1.337 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.302 5.977 -2.671 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.839 6.884 -0.864 1.00 0.00 C ATOM 0 H LEU A 93 1.847 3.094 0.486 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.516 4.840 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.335 3.618 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.036 4.650 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 93 2.416 5.472 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.938 6.857 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.908 5.123 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.537 6.164 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.496 7.751 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.041 7.093 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.407 6.672 0.114 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.110 2.988 0.000 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.113 1.957 -0.215 1.00 0.00 C ATOM 1369 C VAL A 94 -3.971 2.310 -1.424 1.00 0.00 C ATOM 1370 O VAL A 94 -4.709 3.296 -1.402 1.00 0.00 O ATOM 1371 CB VAL A 94 -4.018 1.778 1.025 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.017 0.651 0.810 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.181 1.522 2.270 1.00 0.00 C ATOM 0 H VAL A 94 -2.456 3.818 0.481 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.590 1.017 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.576 2.703 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.642 0.545 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.645 0.880 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.481 -0.281 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.838 1.399 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.591 0.616 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.514 2.367 2.440 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.865 1.512 -2.477 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.598 1.784 -3.695 1.00 0.00 C ATOM 1385 C GLY A 95 -5.876 0.979 -3.792 1.00 0.00 C ATOM 1386 O GLY A 95 -5.863 -0.175 -4.216 1.00 0.00 O ATOM 0 H GLY A 95 -3.281 0.677 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.837 2.846 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.965 1.561 -4.554 1.00 0.00 H new ATOM 1390 N THR A 96 -6.986 1.594 -3.413 1.00 0.00 N ATOM 1391 CA THR A 96 -8.278 0.927 -3.437 1.00 0.00 C ATOM 1392 C THR A 96 -9.140 1.448 -4.586 1.00 0.00 C ATOM 1393 O THR A 96 -10.264 1.894 -4.384 1.00 0.00 O ATOM 1394 CB THR A 96 -9.020 1.106 -2.094 1.00 0.00 C ATOM 1395 OG1 THR A 96 -8.903 2.461 -1.633 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.466 0.161 -1.040 1.00 0.00 C ATOM 0 H THR A 96 -7.017 2.559 -3.084 1.00 0.00 H new ATOM 0 HA THR A 96 -8.097 -0.137 -3.593 1.00 0.00 H new ATOM 0 HB THR A 96 -10.072 0.872 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.766 2.466 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.004 0.305 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.589 -0.869 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.407 0.368 -0.886 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.605 1.359 -5.799 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.279 1.913 -6.964 1.00 0.00 C ATOM 1406 C GLY A 97 -10.605 1.241 -7.274 1.00 0.00 C ATOM 1407 O GLY A 97 -11.502 1.865 -7.835 1.00 0.00 O ATOM 0 H GLY A 97 -7.711 0.911 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.449 2.978 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.624 1.822 -7.830 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.731 -0.032 -6.911 1.00 0.00 N ATOM 1412 CA ARG A 98 -11.965 -0.772 -7.152 1.00 0.00 C ATOM 1413 C ARG A 98 -13.129 -0.152 -6.378 1.00 0.00 C ATOM 1414 O ARG A 98 -14.254 -0.072 -6.872 1.00 0.00 O ATOM 1415 CB ARG A 98 -11.798 -2.239 -6.750 1.00 0.00 C ATOM 1416 CG ARG A 98 -13.034 -3.080 -7.024 1.00 0.00 C ATOM 1417 CD ARG A 98 -12.889 -4.490 -6.479 1.00 0.00 C ATOM 1418 NE ARG A 98 -14.089 -5.287 -6.723 1.00 0.00 N ATOM 1419 CZ ARG A 98 -14.469 -6.322 -5.979 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -13.724 -6.723 -4.954 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -15.586 -6.972 -6.276 1.00 0.00 N ATOM 0 H ARG A 98 -9.997 -0.571 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.186 -0.719 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.951 -2.663 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.558 -2.293 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.905 -2.604 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.214 -3.122 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.030 -4.974 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.691 -4.448 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.675 -5.032 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.855 -6.236 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.021 -7.517 -4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.151 -6.678 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.880 -7.766 -5.708 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.837 0.286 -5.162 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.825 0.906 -4.292 1.00 0.00 C ATOM 1437 C ARG A 99 -13.104 1.496 -3.089 1.00 0.00 C ATOM 1438 O ARG A 99 -12.816 0.791 -2.119 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.879 -0.117 -3.853 1.00 0.00 C ATOM 1440 CG ARG A 99 -16.020 0.473 -3.038 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.087 -0.573 -2.762 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.161 -0.069 -1.907 1.00 0.00 N ATOM 1443 CZ ARG A 99 -19.388 -0.593 -1.864 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.716 -1.594 -2.677 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -20.290 -0.110 -1.020 1.00 0.00 N ATOM 0 H ARG A 99 -11.906 0.221 -4.750 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.347 1.698 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.292 -0.599 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.391 -0.894 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.635 0.863 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -16.459 1.313 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.510 -0.914 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.627 -1.440 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.960 0.731 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -19.029 -1.963 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -20.654 -1.993 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.047 0.664 -0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -21.227 -0.512 -0.989 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.793 2.780 -3.181 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.901 3.433 -2.231 1.00 0.00 C ATOM 1461 C GLN A 100 -12.452 3.385 -0.814 1.00 0.00 C ATOM 1462 O GLN A 100 -13.603 3.748 -0.566 1.00 0.00 O ATOM 1463 CB GLN A 100 -11.650 4.879 -2.657 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.466 5.523 -1.958 1.00 0.00 C ATOM 1465 CD GLN A 100 -10.099 6.866 -2.554 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -10.319 7.117 -3.740 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -9.517 7.732 -1.741 1.00 0.00 N ATOM 0 H GLN A 100 -13.149 3.397 -3.911 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.957 2.889 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.485 4.908 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.544 5.469 -2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.698 5.650 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.606 4.856 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.353 7.485 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.232 8.647 -2.090 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.625 2.916 0.107 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.008 2.822 1.506 1.00 0.00 C ATOM 1478 C HIS A 101 -11.277 3.882 2.313 1.00 0.00 C ATOM 1479 O HIS A 101 -10.047 3.907 2.348 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.691 1.425 2.064 1.00 0.00 C ATOM 1481 CG HIS A 101 -12.119 1.222 3.492 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -11.605 1.700 4.651 1.00 0.00 N flip ATOM 1483 CD2 HIS A 101 -13.197 0.449 3.854 1.00 0.00 C flip ATOM 1484 CE1 HIS A 101 -12.375 1.215 5.680 1.00 0.00 C flip ATOM 1485 NE2 HIS A 101 -13.330 0.462 5.166 1.00 0.00 N flip ATOM 0 H HIS A 101 -10.678 2.593 -0.092 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.083 2.988 1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.179 0.677 1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.618 1.251 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.837 -0.087 3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.225 1.415 6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.051 -0.028 5.696 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.034 4.745 2.964 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.452 5.777 3.803 1.00 0.00 C ATOM 1496 C LEU A 102 -11.067 5.183 5.149 1.00 0.00 C ATOM 1497 O LEU A 102 -11.928 4.908 5.984 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.433 6.936 3.996 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.899 8.111 4.823 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -10.712 8.761 4.128 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -12.997 9.131 5.071 1.00 0.00 C ATOM 0 H LEU A 102 -13.053 4.752 2.928 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.560 6.166 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.729 7.308 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.333 6.553 4.477 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.563 7.727 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.348 9.593 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.916 8.027 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.020 9.130 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.599 9.958 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.365 9.509 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.816 8.659 5.615 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.778 4.941 5.333 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.279 4.398 6.587 1.00 0.00 C ATOM 1515 C LEU A 103 -9.482 5.406 7.709 1.00 0.00 C ATOM 1516 O LEU A 103 -9.386 6.617 7.493 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.800 4.022 6.459 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.502 2.916 5.444 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -6.008 2.656 5.359 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.240 1.638 5.812 1.00 0.00 C ATOM 0 H LEU A 103 -9.059 5.112 4.630 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.839 3.494 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.237 4.912 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.434 3.706 7.436 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.852 3.248 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.817 1.867 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.497 3.567 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.636 2.347 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.015 0.864 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.921 1.305 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.313 1.828 5.822 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.752 4.908 8.903 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.096 5.784 9.999 1.00 0.00 C ATOM 1534 C GLY A 104 -8.978 5.926 11.007 1.00 0.00 C ATOM 1535 O GLY A 104 -7.961 5.235 10.911 1.00 0.00 O ATOM 0 H GLY A 104 -9.739 3.914 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.352 6.768 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.985 5.400 10.500 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.154 6.820 11.995 1.00 0.00 N ATOM 1540 CA PRO A 105 -8.125 7.141 12.991 1.00 0.00 C ATOM 1541 C PRO A 105 -7.559 5.910 13.685 1.00 0.00 C ATOM 1542 O PRO A 105 -6.346 5.734 13.759 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.869 8.018 14.000 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.985 8.625 13.228 1.00 0.00 C ATOM 1545 CD PRO A 105 -10.393 7.593 12.216 1.00 0.00 C ATOM 0 HA PRO A 105 -7.262 7.621 12.529 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.242 7.428 14.837 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.214 8.783 14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.818 8.882 13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.667 9.546 12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.199 6.961 12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.749 8.053 11.294 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.441 5.049 14.168 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.025 3.877 14.921 1.00 0.00 C ATOM 1555 C GLU A 106 -7.338 2.863 14.012 1.00 0.00 C ATOM 1556 O GLU A 106 -6.393 2.187 14.421 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.234 3.245 15.609 1.00 0.00 C ATOM 1558 CG GLU A 106 -8.905 1.988 16.391 1.00 0.00 C ATOM 1559 CD GLU A 106 -10.125 1.383 17.042 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -10.927 0.741 16.331 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -10.294 1.552 18.267 1.00 0.00 O ATOM 0 H GLU A 106 -9.450 5.140 14.052 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.308 4.189 15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.679 3.976 16.284 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.986 3.007 14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.451 1.256 15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.166 2.222 17.157 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.803 2.782 12.773 1.00 0.00 N ATOM 1569 CA GLN A 107 -7.265 1.827 11.811 1.00 0.00 C ATOM 1570 C GLN A 107 -5.835 2.186 11.411 1.00 0.00 C ATOM 1571 O GLN A 107 -5.029 1.309 11.107 1.00 0.00 O ATOM 1572 CB GLN A 107 -8.159 1.763 10.569 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.579 1.305 10.864 1.00 0.00 C ATOM 1574 CD GLN A 107 -10.446 1.239 9.621 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -10.252 1.996 8.668 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -11.417 0.337 9.623 1.00 0.00 N ATOM 0 H GLN A 107 -8.554 3.368 12.408 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.246 0.847 12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.193 2.749 10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.711 1.084 9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.549 0.321 11.333 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.034 1.987 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.546 -0.272 10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.035 0.252 8.816 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.516 3.474 11.426 1.00 0.00 N ATOM 1586 CA VAL A 108 -4.191 3.928 11.010 1.00 0.00 C ATOM 1587 C VAL A 108 -3.261 4.162 12.203 1.00 0.00 C ATOM 1588 O VAL A 108 -2.059 4.367 12.023 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.270 5.215 10.159 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -5.018 4.954 8.861 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.931 6.344 10.935 1.00 0.00 C ATOM 0 H VAL A 108 -6.149 4.219 11.719 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.775 3.126 10.400 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.252 5.520 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.063 5.873 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.498 4.185 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.030 4.617 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.973 7.238 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.942 6.049 11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.352 6.555 11.834 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.813 4.104 13.416 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.041 4.353 14.637 1.00 0.00 C ATOM 1603 C ARG A 109 -1.790 3.474 14.751 1.00 0.00 C ATOM 1604 O ARG A 109 -0.701 4.001 14.972 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.909 4.170 15.880 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.702 5.404 16.258 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.494 5.181 17.532 1.00 0.00 C ATOM 1608 NE ARG A 109 -6.233 6.373 17.931 1.00 0.00 N ATOM 1609 CZ ARG A 109 -7.274 6.360 18.761 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.687 5.214 19.292 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -7.894 7.488 19.064 1.00 0.00 N ATOM 0 H ARG A 109 -4.796 3.886 13.580 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.706 5.388 14.571 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.599 3.343 15.711 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.272 3.888 16.718 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.025 6.248 16.391 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.381 5.665 15.446 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.190 4.355 17.386 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.816 4.889 18.334 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.934 7.271 17.551 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.206 4.344 19.064 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.485 5.205 19.928 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.575 8.369 18.662 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.691 7.477 19.700 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.911 2.129 14.620 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.765 1.217 14.762 1.00 0.00 C ATOM 1627 C PRO A 110 0.434 1.621 13.907 1.00 0.00 C ATOM 1628 O PRO A 110 1.579 1.441 14.312 1.00 0.00 O ATOM 1629 CB PRO A 110 -1.321 -0.129 14.298 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.772 -0.047 14.601 1.00 0.00 C ATOM 1631 CD PRO A 110 -3.159 1.382 14.347 1.00 0.00 C ATOM 0 HA PRO A 110 -0.385 1.213 15.783 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.145 -0.287 13.234 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.850 -0.958 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.343 -0.726 13.968 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.973 -0.330 15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.500 1.530 13.322 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.970 1.701 15.002 1.00 0.00 H new ATOM 1639 N LEU A 111 0.169 2.181 12.735 1.00 0.00 N ATOM 1640 CA LEU A 111 1.240 2.589 11.840 1.00 0.00 C ATOM 1641 C LEU A 111 1.669 4.024 12.115 1.00 0.00 C ATOM 1642 O LEU A 111 2.858 4.337 12.072 1.00 0.00 O ATOM 1643 CB LEU A 111 0.817 2.422 10.382 1.00 0.00 C ATOM 1644 CG LEU A 111 0.568 0.975 9.951 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.179 0.917 8.486 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.800 0.119 10.207 1.00 0.00 C ATOM 0 H LEU A 111 -0.772 2.362 12.384 1.00 0.00 H new ATOM 0 HA LEU A 111 2.097 1.942 12.026 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.092 2.999 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.589 2.850 9.742 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.256 0.578 10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.006 -0.119 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.732 1.495 8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.983 1.334 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.602 -0.906 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.643 0.515 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.039 0.134 11.270 1.00 0.00 H new ATOM 1658 N LEU A 112 0.708 4.893 12.425 1.00 0.00 N ATOM 1659 CA LEU A 112 1.019 6.280 12.765 1.00 0.00 C ATOM 1660 C LEU A 112 1.909 6.345 13.999 1.00 0.00 C ATOM 1661 O LEU A 112 2.774 7.215 14.107 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.256 7.094 13.010 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.087 7.415 11.768 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.274 8.289 12.141 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.233 8.102 10.713 1.00 0.00 C ATOM 0 H LEU A 112 -0.286 4.663 12.448 1.00 0.00 H new ATOM 0 HA LEU A 112 1.549 6.712 11.916 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.884 6.548 13.713 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.021 8.032 13.492 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.459 6.479 11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.858 8.510 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.900 7.764 12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.916 9.220 12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.844 8.322 9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.168 9.031 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.589 7.446 10.427 1.00 0.00 H new ATOM 1677 N ALA A 113 1.696 5.414 14.922 1.00 0.00 N ATOM 1678 CA ALA A 113 2.502 5.329 16.135 1.00 0.00 C ATOM 1679 C ALA A 113 3.941 4.933 15.812 1.00 0.00 C ATOM 1680 O ALA A 113 4.863 5.229 16.569 1.00 0.00 O ATOM 1681 CB ALA A 113 1.884 4.338 17.109 1.00 0.00 C ATOM 0 H ALA A 113 0.968 4.703 14.853 1.00 0.00 H new ATOM 0 HA ALA A 113 2.521 6.315 16.600 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.495 4.284 18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.878 4.665 17.372 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.835 3.353 16.644 1.00 0.00 H new ATOM 1687 N MET A 114 4.127 4.273 14.679 1.00 0.00 N ATOM 1688 CA MET A 114 5.453 3.859 14.243 1.00 0.00 C ATOM 1689 C MET A 114 6.087 4.938 13.376 1.00 0.00 C ATOM 1690 O MET A 114 7.272 4.873 13.053 1.00 0.00 O ATOM 1691 CB MET A 114 5.376 2.547 13.459 1.00 0.00 C ATOM 1692 CG MET A 114 4.812 1.388 14.262 1.00 0.00 C ATOM 1693 SD MET A 114 4.658 -0.120 13.287 1.00 0.00 S ATOM 1694 CE MET A 114 3.981 -1.241 14.509 1.00 0.00 C ATOM 0 H MET A 114 3.374 4.012 14.043 1.00 0.00 H new ATOM 0 HA MET A 114 6.070 3.705 15.129 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.758 2.699 12.574 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.374 2.284 13.110 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.457 1.197 15.120 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.833 1.664 14.654 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.828 -2.221 14.058 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.675 -1.330 15.345 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.028 -0.854 14.869 1.00 0.00 H new ATOM 1704 N GLY A 115 5.286 5.930 13.006 1.00 0.00 N ATOM 1705 CA GLY A 115 5.770 7.003 12.161 1.00 0.00 C ATOM 1706 C GLY A 115 5.431 6.781 10.701 1.00 0.00 C ATOM 1707 O GLY A 115 5.928 7.489 9.826 1.00 0.00 O ATOM 0 H GLY A 115 4.306 6.010 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.338 7.947 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.851 7.091 12.272 1.00 0.00 H new ATOM 1711 N VAL A 116 4.581 5.798 10.440 1.00 0.00 N ATOM 1712 CA VAL A 116 4.188 5.463 9.078 1.00 0.00 C ATOM 1713 C VAL A 116 2.891 6.172 8.706 1.00 0.00 C ATOM 1714 O VAL A 116 1.835 5.891 9.276 1.00 0.00 O ATOM 1715 CB VAL A 116 3.998 3.938 8.905 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.690 3.592 7.455 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.227 3.182 9.390 1.00 0.00 C ATOM 0 H VAL A 116 4.148 5.216 11.157 1.00 0.00 H new ATOM 0 HA VAL A 116 4.990 5.794 8.418 1.00 0.00 H new ATOM 0 HB VAL A 116 3.148 3.632 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.560 2.514 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.774 4.097 7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.514 3.917 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.071 2.111 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.098 3.495 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.394 3.398 10.445 1.00 0.00 H new ATOM 1727 N GLY A 117 2.974 7.095 7.759 1.00 0.00 N ATOM 1728 CA GLY A 117 1.794 7.802 7.303 1.00 0.00 C ATOM 1729 C GLY A 117 0.996 6.977 6.318 1.00 0.00 C ATOM 1730 O GLY A 117 1.498 6.617 5.253 1.00 0.00 O ATOM 0 H GLY A 117 3.841 7.368 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.167 8.055 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.090 8.741 6.836 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.241 6.670 6.669 1.00 0.00 N ATOM 1735 CA VAL A 118 -1.075 5.813 5.839 1.00 0.00 C ATOM 1736 C VAL A 118 -1.968 6.645 4.927 1.00 0.00 C ATOM 1737 O VAL A 118 -2.820 7.401 5.396 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.956 4.882 6.695 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.639 3.840 5.823 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -1.135 4.217 7.788 1.00 0.00 C ATOM 0 H VAL A 118 -0.691 7.000 7.522 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.404 5.204 5.234 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.728 5.486 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.256 3.192 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.267 4.339 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.884 3.241 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.777 3.565 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.337 3.628 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.701 4.981 8.433 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.771 6.499 3.626 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.551 7.233 2.642 1.00 0.00 C ATOM 1752 C GLU A 119 -3.411 6.270 1.826 1.00 0.00 C ATOM 1753 O GLU A 119 -2.893 5.483 1.029 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.624 8.012 1.704 1.00 0.00 C ATOM 1755 CG GLU A 119 -0.643 8.934 2.416 1.00 0.00 C ATOM 1756 CD GLU A 119 -1.315 10.098 3.113 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.797 11.012 2.415 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -1.336 10.122 4.362 1.00 0.00 O ATOM 0 H GLU A 119 -1.072 5.874 3.225 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.199 7.934 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.062 7.303 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.232 8.605 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.079 8.357 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.075 9.318 1.692 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.718 6.321 2.033 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.642 5.480 1.285 1.00 0.00 C ATOM 1767 C ALA A 120 -6.191 6.243 0.087 1.00 0.00 C ATOM 1768 O ALA A 120 -6.961 7.195 0.244 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.775 5.001 2.180 1.00 0.00 C ATOM 0 H ALA A 120 -5.164 6.936 2.713 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.102 4.605 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.455 4.374 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.365 4.424 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.319 5.861 2.571 1.00 0.00 H new ATOM 1775 N MET A 121 -5.790 5.831 -1.106 1.00 0.00 N ATOM 1776 CA MET A 121 -6.146 6.545 -2.324 1.00 0.00 C ATOM 1777 C MET A 121 -6.515 5.569 -3.436 1.00 0.00 C ATOM 1778 O MET A 121 -6.651 4.367 -3.202 1.00 0.00 O ATOM 1779 CB MET A 121 -4.983 7.431 -2.785 1.00 0.00 C ATOM 1780 CG MET A 121 -4.603 8.519 -1.790 1.00 0.00 C ATOM 1781 SD MET A 121 -3.288 9.593 -2.400 1.00 0.00 S ATOM 1782 CE MET A 121 -1.972 8.405 -2.662 1.00 0.00 C ATOM 0 H MET A 121 -5.215 5.002 -1.257 1.00 0.00 H new ATOM 0 HA MET A 121 -7.010 7.172 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.112 6.802 -2.971 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.248 7.897 -3.734 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.483 9.121 -1.563 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.284 8.056 -0.856 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.010 8.878 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.107 7.558 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.998 8.055 -3.694 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.694 6.101 -4.639 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.965 5.284 -5.816 1.00 0.00 C ATOM 1794 C ASP A 122 -5.761 4.408 -6.162 1.00 0.00 C ATOM 1795 O ASP A 122 -4.624 4.752 -5.840 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.326 6.180 -7.004 1.00 0.00 C ATOM 1797 CG ASP A 122 -7.278 5.439 -8.322 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -8.162 4.596 -8.567 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -6.332 5.677 -9.103 1.00 0.00 O ATOM 0 H ASP A 122 -6.656 7.103 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.808 4.630 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.326 6.589 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.638 7.025 -7.040 1.00 0.00 H new ATOM 1804 N THR A 123 -6.018 3.286 -6.828 1.00 0.00 N ATOM 1805 CA THR A 123 -4.975 2.323 -7.159 1.00 0.00 C ATOM 1806 C THR A 123 -3.920 2.926 -8.093 1.00 0.00 C ATOM 1807 O THR A 123 -2.719 2.794 -7.850 1.00 0.00 O ATOM 1808 CB THR A 123 -5.581 1.038 -7.785 1.00 0.00 C ATOM 1809 OG1 THR A 123 -4.546 0.138 -8.197 1.00 0.00 O ATOM 1810 CG2 THR A 123 -6.480 1.366 -8.971 1.00 0.00 C ATOM 0 H THR A 123 -6.948 3.021 -7.151 1.00 0.00 H new ATOM 0 HA THR A 123 -4.479 2.054 -6.226 1.00 0.00 H new ATOM 0 HB THR A 123 -6.187 0.558 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 123 -4.600 -0.001 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.887 0.444 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 123 -7.297 2.008 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.899 1.882 -9.736 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.363 3.625 -9.133 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.439 4.197 -10.100 1.00 0.00 C ATOM 1820 C GLN A 124 -2.753 5.415 -9.499 1.00 0.00 C ATOM 1821 O GLN A 124 -1.563 5.647 -9.720 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.168 4.590 -11.385 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.224 4.962 -12.516 1.00 0.00 C ATOM 1824 CD GLN A 124 -3.933 5.581 -13.701 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.099 5.290 -13.968 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -3.228 6.436 -14.425 1.00 0.00 N ATOM 0 H GLN A 124 -5.348 3.807 -9.325 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.690 3.445 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.800 3.762 -11.705 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.828 5.433 -11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.476 5.661 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.691 4.070 -12.845 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.264 6.649 -14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -3.649 6.882 -15.240 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.515 6.186 -8.731 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.983 7.354 -8.043 1.00 0.00 C ATOM 1837 C ALA A 125 -1.885 6.950 -7.066 1.00 0.00 C ATOM 1838 O ALA A 125 -0.859 7.625 -6.956 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.097 8.091 -7.316 1.00 0.00 C ATOM 0 H ALA A 125 -4.508 6.021 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.549 8.023 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.685 8.962 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.849 8.414 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.556 7.426 -6.585 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.101 5.841 -6.367 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.118 5.321 -5.427 1.00 0.00 C ATOM 1847 C ALA A 126 0.158 4.916 -6.151 1.00 0.00 C ATOM 1848 O ALA A 126 1.252 5.291 -5.743 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.689 4.143 -4.651 1.00 0.00 C ATOM 0 H ALA A 126 -2.952 5.284 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.873 6.112 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.939 3.769 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.571 4.465 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.967 3.350 -5.345 1.00 0.00 H new ATOM 1855 N ALA A 127 0.008 4.167 -7.240 1.00 0.00 N ATOM 1856 CA ALA A 127 1.151 3.728 -8.032 1.00 0.00 C ATOM 1857 C ALA A 127 1.898 4.922 -8.622 1.00 0.00 C ATOM 1858 O ALA A 127 3.127 4.931 -8.683 1.00 0.00 O ATOM 1859 CB ALA A 127 0.700 2.782 -9.138 1.00 0.00 C ATOM 0 H ALA A 127 -0.895 3.852 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 127 1.835 3.193 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.565 2.464 -9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.219 1.909 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.007 3.295 -9.790 1.00 0.00 H new ATOM 1865 N ARG A 128 1.141 5.930 -9.041 1.00 0.00 N ATOM 1866 CA ARG A 128 1.712 7.150 -9.603 1.00 0.00 C ATOM 1867 C ARG A 128 2.546 7.880 -8.552 1.00 0.00 C ATOM 1868 O ARG A 128 3.689 8.271 -8.802 1.00 0.00 O ATOM 1869 CB ARG A 128 0.588 8.060 -10.108 1.00 0.00 C ATOM 1870 CG ARG A 128 1.065 9.238 -10.938 1.00 0.00 C ATOM 1871 CD ARG A 128 -0.099 10.121 -11.359 1.00 0.00 C ATOM 1872 NE ARG A 128 0.310 11.146 -12.316 1.00 0.00 N ATOM 1873 CZ ARG A 128 -0.356 12.281 -12.536 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -1.456 12.566 -11.852 1.00 0.00 N ATOM 1875 NH2 ARG A 128 0.090 13.130 -13.449 1.00 0.00 N ATOM 0 H ARG A 128 0.122 5.926 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 128 2.362 6.885 -10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.104 7.466 -10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.028 8.436 -9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.781 9.825 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.588 8.875 -11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.881 9.504 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.529 10.598 -10.478 1.00 0.00 H new ATOM 0 HE ARG A 128 1.162 10.983 -12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.802 11.914 -11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.956 13.437 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.936 12.914 -13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.412 14.000 -13.625 1.00 0.00 H new ATOM 1889 N THR A 129 1.968 8.044 -7.368 1.00 0.00 N ATOM 1890 CA THR A 129 2.646 8.714 -6.269 1.00 0.00 C ATOM 1891 C THR A 129 3.850 7.894 -5.803 1.00 0.00 C ATOM 1892 O THR A 129 4.910 8.442 -5.499 1.00 0.00 O ATOM 1893 CB THR A 129 1.682 8.945 -5.088 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.467 9.544 -5.562 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.307 9.849 -4.035 1.00 0.00 C ATOM 0 H THR A 129 1.027 7.720 -7.146 1.00 0.00 H new ATOM 0 HA THR A 129 2.994 9.682 -6.629 1.00 0.00 H new ATOM 0 HB THR A 129 1.469 7.977 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.082 8.864 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.603 9.993 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.218 9.388 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.548 10.814 -4.481 1.00 0.00 H new ATOM 1903 N TYR A 130 3.676 6.575 -5.772 1.00 0.00 N ATOM 1904 CA TYR A 130 4.744 5.655 -5.398 1.00 0.00 C ATOM 1905 C TYR A 130 5.939 5.806 -6.330 1.00 0.00 C ATOM 1906 O TYR A 130 7.080 5.848 -5.879 1.00 0.00 O ATOM 1907 CB TYR A 130 4.229 4.211 -5.420 1.00 0.00 C ATOM 1908 CG TYR A 130 5.312 3.159 -5.296 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.960 2.933 -4.087 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.680 2.388 -6.392 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.944 1.968 -3.977 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.663 1.423 -6.288 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.292 1.218 -5.081 1.00 0.00 C ATOM 1914 OH TYR A 130 8.268 0.254 -4.978 1.00 0.00 O ATOM 0 H TYR A 130 2.795 6.117 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 130 5.069 5.898 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.517 4.080 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.684 4.046 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.691 3.520 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.189 2.546 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.438 1.802 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.937 0.832 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 130 9.067 0.544 -5.467 1.00 0.00 H new ATOM 1924 N ASN A 131 5.662 5.895 -7.627 1.00 0.00 N ATOM 1925 CA ASN A 131 6.707 6.063 -8.632 1.00 0.00 C ATOM 1926 C ASN A 131 7.554 7.295 -8.310 1.00 0.00 C ATOM 1927 O ASN A 131 8.780 7.221 -8.245 1.00 0.00 O ATOM 1928 CB ASN A 131 6.072 6.189 -10.026 1.00 0.00 C ATOM 1929 CG ASN A 131 7.076 6.107 -11.166 1.00 0.00 C ATOM 1930 OD1 ASN A 131 8.226 6.519 -11.045 1.00 0.00 O ATOM 1931 ND2 ASN A 131 6.639 5.563 -12.293 1.00 0.00 N ATOM 0 H ASN A 131 4.717 5.853 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 131 7.358 5.189 -8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.330 5.400 -10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 131 5.541 7.139 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 131 7.265 5.477 -13.094 1.00 0.00 H new ATOM 0 HD22 ASN A 131 5.677 5.231 -12.359 1.00 0.00 H new ATOM 1938 N ILE A 132 6.883 8.416 -8.067 1.00 0.00 N ATOM 1939 CA ILE A 132 7.567 9.667 -7.747 1.00 0.00 C ATOM 1940 C ILE A 132 8.371 9.550 -6.450 1.00 0.00 C ATOM 1941 O ILE A 132 9.550 9.906 -6.403 1.00 0.00 O ATOM 1942 CB ILE A 132 6.565 10.836 -7.620 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.753 10.977 -8.911 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.300 12.133 -7.302 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.668 12.030 -8.837 1.00 0.00 C ATOM 0 H ILE A 132 5.866 8.485 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 132 8.252 9.871 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 132 5.878 10.623 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.429 11.222 -9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.298 10.016 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.580 12.947 -7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.840 12.024 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 132 8.006 12.356 -8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.136 12.072 -9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.968 11.776 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.117 13.001 -8.629 1.00 0.00 H new ATOM 1957 N LEU A 133 7.736 9.032 -5.403 1.00 0.00 N ATOM 1958 CA LEU A 133 8.378 8.923 -4.095 1.00 0.00 C ATOM 1959 C LEU A 133 9.552 7.949 -4.132 1.00 0.00 C ATOM 1960 O LEU A 133 10.565 8.158 -3.458 1.00 0.00 O ATOM 1961 CB LEU A 133 7.363 8.487 -3.036 1.00 0.00 C ATOM 1962 CG LEU A 133 6.208 9.464 -2.805 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.244 8.913 -1.768 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.736 10.824 -2.371 1.00 0.00 C ATOM 0 H LEU A 133 6.779 8.681 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 133 8.765 9.907 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.949 7.521 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.887 8.338 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 133 5.670 9.588 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.429 9.621 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.839 7.963 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.771 8.760 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.900 11.505 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.299 10.717 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.388 11.226 -3.147 1.00 0.00 H new ATOM 1976 N MET A 134 9.420 6.891 -4.921 1.00 0.00 N ATOM 1977 CA MET A 134 10.497 5.921 -5.080 1.00 0.00 C ATOM 1978 C MET A 134 11.662 6.551 -5.833 1.00 0.00 C ATOM 1979 O MET A 134 12.824 6.248 -5.564 1.00 0.00 O ATOM 1980 CB MET A 134 10.000 4.674 -5.819 1.00 0.00 C ATOM 1981 CG MET A 134 11.053 3.585 -5.962 1.00 0.00 C ATOM 1982 SD MET A 134 10.425 2.110 -6.794 1.00 0.00 S ATOM 1983 CE MET A 134 9.987 2.779 -8.398 1.00 0.00 C ATOM 0 H MET A 134 8.580 6.682 -5.460 1.00 0.00 H new ATOM 0 HA MET A 134 10.838 5.619 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.140 4.267 -5.288 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.654 4.965 -6.811 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.902 3.978 -6.521 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.422 3.310 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 134 9.891 1.966 -9.117 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.039 3.312 -8.323 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.765 3.467 -8.730 1.00 0.00 H new ATOM 1993 N ALA A 135 11.341 7.447 -6.762 1.00 0.00 N ATOM 1994 CA ALA A 135 12.356 8.161 -7.529 1.00 0.00 C ATOM 1995 C ALA A 135 13.142 9.117 -6.636 1.00 0.00 C ATOM 1996 O ALA A 135 14.290 9.458 -6.934 1.00 0.00 O ATOM 1997 CB ALA A 135 11.717 8.917 -8.684 1.00 0.00 C ATOM 0 H ALA A 135 10.382 7.696 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 135 13.052 7.427 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.489 9.444 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.207 8.213 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.997 9.637 -8.294 1.00 0.00 H new ATOM 2003 N GLU A 136 12.514 9.566 -5.550 1.00 0.00 N ATOM 2004 CA GLU A 136 13.197 10.402 -4.566 1.00 0.00 C ATOM 2005 C GLU A 136 14.148 9.562 -3.724 1.00 0.00 C ATOM 2006 O GLU A 136 15.134 10.066 -3.182 1.00 0.00 O ATOM 2007 CB GLU A 136 12.199 11.098 -3.633 1.00 0.00 C ATOM 2008 CG GLU A 136 11.194 11.996 -4.334 1.00 0.00 C ATOM 2009 CD GLU A 136 10.408 12.848 -3.354 1.00 0.00 C ATOM 2010 OE1 GLU A 136 10.135 12.376 -2.228 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.073 14.000 -3.699 1.00 0.00 O ATOM 0 H GLU A 136 11.538 9.366 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 136 13.755 11.159 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.656 10.338 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 136 12.754 11.694 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.716 12.643 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.505 11.383 -4.915 1.00 0.00 H new ATOM 2018 N GLY A 137 13.850 8.273 -3.629 1.00 0.00 N ATOM 2019 CA GLY A 137 14.590 7.398 -2.743 1.00 0.00 C ATOM 2020 C GLY A 137 13.975 7.369 -1.359 1.00 0.00 C ATOM 2021 O GLY A 137 14.616 6.970 -0.388 1.00 0.00 O ATOM 0 H GLY A 137 13.104 7.816 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.609 6.390 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.625 7.734 -2.677 1.00 0.00 H new ATOM 2025 N ARG A 138 12.720 7.790 -1.281 1.00 0.00 N ATOM 2026 CA ARG A 138 12.014 7.881 -0.012 1.00 0.00 C ATOM 2027 C ARG A 138 11.474 6.514 0.395 1.00 0.00 C ATOM 2028 O ARG A 138 11.233 5.654 -0.454 1.00 0.00 O ATOM 2029 CB ARG A 138 10.863 8.884 -0.127 1.00 0.00 C ATOM 2030 CG ARG A 138 10.195 9.204 1.200 1.00 0.00 C ATOM 2031 CD ARG A 138 8.961 10.071 1.014 1.00 0.00 C ATOM 2032 NE ARG A 138 9.253 11.311 0.299 1.00 0.00 N ATOM 2033 CZ ARG A 138 9.369 12.499 0.886 1.00 0.00 C ATOM 2034 NH1 ARG A 138 9.362 12.597 2.212 1.00 0.00 N ATOM 2035 NH2 ARG A 138 9.538 13.581 0.139 1.00 0.00 N ATOM 0 H ARG A 138 12.167 8.076 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 138 12.712 8.222 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.241 9.808 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.115 8.488 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.916 8.276 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.904 9.716 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.205 9.509 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.537 10.309 1.990 1.00 0.00 H new ATOM 0 HE ARG A 138 9.375 11.263 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.267 11.758 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 138 9.451 13.511 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.578 13.498 -0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.628 14.496 0.580 1.00 0.00 H new ATOM 2049 N ARG A 139 11.293 6.313 1.694 1.00 0.00 N ATOM 2050 CA ARG A 139 10.741 5.066 2.198 1.00 0.00 C ATOM 2051 C ARG A 139 9.221 5.043 2.038 1.00 0.00 C ATOM 2052 O ARG A 139 8.473 5.632 2.834 1.00 0.00 O ATOM 2053 CB ARG A 139 11.145 4.848 3.659 1.00 0.00 C ATOM 2054 CG ARG A 139 12.637 4.611 3.844 1.00 0.00 C ATOM 2055 CD ARG A 139 13.091 3.368 3.096 1.00 0.00 C ATOM 2056 NE ARG A 139 14.529 3.137 3.212 1.00 0.00 N ATOM 2057 CZ ARG A 139 15.217 2.322 2.412 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.625 1.729 1.386 1.00 0.00 N ATOM 2059 NH2 ARG A 139 16.510 2.122 2.613 1.00 0.00 N ATOM 0 H ARG A 139 11.521 6.997 2.415 1.00 0.00 H new ATOM 0 HA ARG A 139 11.152 4.246 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.847 5.718 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.597 3.994 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.193 5.478 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.862 4.503 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.555 2.501 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.826 3.465 2.043 1.00 0.00 H new ATOM 0 HE ARG A 139 15.036 3.628 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 139 13.635 1.894 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.159 1.107 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 139 16.985 2.593 3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 139 17.031 1.497 1.998 1.00 0.00 H new ATOM 2073 N VAL A 140 8.777 4.376 0.985 1.00 0.00 N ATOM 2074 CA VAL A 140 7.366 4.281 0.668 1.00 0.00 C ATOM 2075 C VAL A 140 6.993 2.845 0.312 1.00 0.00 C ATOM 2076 O VAL A 140 7.716 2.170 -0.421 1.00 0.00 O ATOM 2077 CB VAL A 140 6.989 5.231 -0.499 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.889 5.001 -1.706 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.525 5.066 -0.886 1.00 0.00 C ATOM 0 H VAL A 140 9.385 3.887 0.329 1.00 0.00 H new ATOM 0 HA VAL A 140 6.806 4.585 1.552 1.00 0.00 H new ATOM 0 HB VAL A 140 7.138 6.254 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.602 5.680 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.926 5.187 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.784 3.971 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.287 5.743 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.345 4.038 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.894 5.299 -0.029 1.00 0.00 H new ATOM 2089 N VAL A 141 5.887 2.375 0.865 1.00 0.00 N ATOM 2090 CA VAL A 141 5.366 1.057 0.538 1.00 0.00 C ATOM 2091 C VAL A 141 4.004 1.214 -0.119 1.00 0.00 C ATOM 2092 O VAL A 141 3.197 2.031 0.319 1.00 0.00 O ATOM 2093 CB VAL A 141 5.227 0.162 1.791 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.834 -1.256 1.405 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.511 0.159 2.606 1.00 0.00 C ATOM 0 H VAL A 141 5.329 2.890 1.547 1.00 0.00 H new ATOM 0 HA VAL A 141 6.070 0.574 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 141 4.434 0.579 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.743 -1.866 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.879 -1.239 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.598 -1.681 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.385 -0.478 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.329 -0.222 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.741 1.175 2.927 1.00 0.00 H new ATOM 2105 N VAL A 142 3.747 0.459 -1.172 1.00 0.00 N ATOM 2106 CA VAL A 142 2.481 0.571 -1.875 1.00 0.00 C ATOM 2107 C VAL A 142 1.737 -0.762 -1.887 1.00 0.00 C ATOM 2108 O VAL A 142 2.333 -1.822 -2.095 1.00 0.00 O ATOM 2109 CB VAL A 142 2.681 1.092 -3.320 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.505 0.118 -4.145 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.343 1.372 -3.989 1.00 0.00 C ATOM 0 H VAL A 142 4.391 -0.232 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 142 1.874 1.297 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 142 3.232 2.031 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.629 0.510 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.484 -0.012 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.994 -0.844 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.512 1.737 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.756 0.454 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.801 2.126 -3.418 1.00 0.00 H new ATOM 2121 N ALA A 143 0.440 -0.696 -1.629 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.421 -1.866 -1.666 1.00 0.00 C ATOM 2123 C ALA A 143 -1.532 -1.655 -2.684 1.00 0.00 C ATOM 2124 O ALA A 143 -2.400 -0.801 -2.500 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.003 -2.142 -0.287 1.00 0.00 C ATOM 0 H ALA A 143 -0.044 0.169 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 143 0.170 -2.732 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.645 -3.021 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.193 -2.320 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.588 -1.282 0.040 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.494 -2.421 -3.760 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.445 -2.255 -4.850 1.00 0.00 C ATOM 2133 C LEU A 144 -3.486 -3.366 -4.835 1.00 0.00 C ATOM 2134 O LEU A 144 -3.158 -4.531 -4.600 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.710 -2.238 -6.192 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.696 -1.103 -6.365 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.016 -1.219 -7.703 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.385 0.248 -6.243 1.00 0.00 C ATOM 0 H LEU A 144 -0.813 -3.167 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.959 -1.303 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.192 -3.189 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.448 -2.170 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 144 0.049 -1.184 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.732 -0.403 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.542 -2.172 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.715 -1.165 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.651 1.044 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.151 0.337 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.848 0.333 -5.260 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.737 -2.996 -5.083 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.841 -3.950 -5.076 1.00 0.00 C ATOM 2152 C LEU A 145 -6.517 -3.993 -6.451 1.00 0.00 C ATOM 2153 O LEU A 145 -7.416 -3.198 -6.734 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.859 -3.556 -3.999 1.00 0.00 C ATOM 2155 CG LEU A 145 -7.370 -4.698 -3.117 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -8.319 -4.161 -2.058 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -8.062 -5.764 -3.951 1.00 0.00 C ATOM 0 H LEU A 145 -5.014 -2.037 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.450 -4.942 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -6.406 -2.800 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.714 -3.089 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 145 -6.512 -5.156 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.675 -4.984 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.796 -3.436 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.168 -3.678 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.415 -6.563 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.909 -5.322 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -7.358 -6.172 -4.677 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.059 -4.892 -7.338 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.626 -5.058 -8.672 1.00 0.00 C ATOM 2171 C PRO A 146 -7.713 -6.134 -8.736 1.00 0.00 C ATOM 2172 O PRO A 146 -7.697 -7.091 -7.959 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.408 -5.489 -9.481 1.00 0.00 C ATOM 2174 CG PRO A 146 -4.576 -6.282 -8.522 1.00 0.00 C ATOM 2175 CD PRO A 146 -4.924 -5.804 -7.127 1.00 0.00 C ATOM 0 HA PRO A 146 -7.121 -4.154 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -5.698 -6.089 -10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -4.860 -4.627 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -4.780 -7.348 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -3.514 -6.139 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -5.195 -6.635 -6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.083 -5.293 -6.658 1.00 0.00 H new