USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=18 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 121 MET CE :methyl -177:sc= -1.29 (180deg=-1.36) USER MOD Set 1.2: A 129 THR OG1 : rot 83:sc= 0.935 USER MOD Set 2.1: A 31 HIS : no HE2:sc= 0.938 K(o=2.3,f=-4.9!) USER MOD Set 2.2: A 43 SER OG : rot 52:sc= 1.37 USER MOD Set 3.1: A 13 THR OG1 : rot 71:sc= 0.224 USER MOD Set 3.2: A 131 ASN :FLIP amide:sc= -0.0266 F(o=-2.8!,f=-0.99) USER MOD Set 3.3: A 134 MET CE :methyl -122:sc= -1.19 (180deg=-1.91) USER MOD Single : A 12 ASN : amide:sc= 1.07 K(o=1.1,f=-1.5!) USER MOD Single : A 15 THR OG1 : rot 116:sc= 1.51 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.255 F(o=-1.4,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 47 GLN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 96 THR OG1 : rot 65:sc= 0.631 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 101 HIS : no HE2:sc= 0.522 K(o=0.52,f=-4.4!) USER MOD Single : A 107 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.6) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 168:sc= 0.0311 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 TYR OH : rot -166:sc= 0.571 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.447 0.421 -8.695 1.00 0.00 N ATOM 154 CA LEU A 11 13.185 1.087 -8.979 1.00 0.00 C ATOM 155 C LEU A 11 12.116 0.061 -9.335 1.00 0.00 C ATOM 156 O LEU A 11 11.901 -0.245 -10.510 1.00 0.00 O ATOM 157 CB LEU A 11 13.345 2.101 -10.125 1.00 0.00 C ATOM 158 CG LEU A 11 14.035 3.432 -9.775 1.00 0.00 C ATOM 159 CD1 LEU A 11 13.211 4.217 -8.770 1.00 0.00 C ATOM 160 CD2 LEU A 11 15.442 3.207 -9.242 1.00 0.00 C ATOM 0 HA LEU A 11 12.876 1.627 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.910 1.624 -10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.355 2.324 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 11 14.112 4.012 -10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.717 5.154 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.229 4.430 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.094 3.631 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.899 4.168 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.396 2.595 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.040 2.697 -9.997 1.00 0.00 H new ATOM 172 N ASN A 12 11.476 -0.495 -8.313 1.00 0.00 N ATOM 173 CA ASN A 12 10.417 -1.480 -8.511 1.00 0.00 C ATOM 174 C ASN A 12 9.181 -0.817 -9.098 1.00 0.00 C ATOM 175 O ASN A 12 8.443 -0.125 -8.400 1.00 0.00 O ATOM 176 CB ASN A 12 10.073 -2.186 -7.193 1.00 0.00 C ATOM 177 CG ASN A 12 11.129 -3.198 -6.787 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.780 -3.802 -7.637 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.308 -3.397 -5.492 1.00 0.00 N ATOM 0 H ASN A 12 11.672 -0.280 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 12 10.777 -2.231 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.963 -1.443 -6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.111 -2.689 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.004 -4.070 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.750 -2.878 -4.814 1.00 0.00 H new ATOM 186 N THR A 13 8.966 -1.028 -10.387 1.00 0.00 N ATOM 187 CA THR A 13 7.910 -0.336 -11.103 1.00 0.00 C ATOM 188 C THR A 13 6.989 -1.323 -11.821 1.00 0.00 C ATOM 189 O THR A 13 7.403 -2.428 -12.183 1.00 0.00 O ATOM 190 CB THR A 13 8.518 0.648 -12.125 1.00 0.00 C ATOM 191 OG1 THR A 13 9.572 1.395 -11.501 1.00 0.00 O ATOM 192 CG2 THR A 13 7.469 1.615 -12.659 1.00 0.00 C ATOM 0 H THR A 13 9.511 -1.674 -10.958 1.00 0.00 H new ATOM 0 HA THR A 13 7.317 0.217 -10.374 1.00 0.00 H new ATOM 0 HB THR A 13 8.908 0.068 -12.961 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.339 0.807 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.931 2.294 -13.376 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.674 1.054 -13.150 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.050 2.190 -11.833 1.00 0.00 H new ATOM 200 N VAL A 14 5.736 -0.924 -11.999 1.00 0.00 N ATOM 201 CA VAL A 14 4.762 -1.723 -12.727 1.00 0.00 C ATOM 202 C VAL A 14 5.107 -1.747 -14.217 1.00 0.00 C ATOM 203 O VAL A 14 5.199 -0.699 -14.859 1.00 0.00 O ATOM 204 CB VAL A 14 3.336 -1.160 -12.533 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.308 -1.998 -13.273 1.00 0.00 C ATOM 206 CG2 VAL A 14 2.991 -1.074 -11.053 1.00 0.00 C ATOM 0 H VAL A 14 5.369 -0.041 -11.644 1.00 0.00 H new ATOM 0 HA VAL A 14 4.793 -2.739 -12.333 1.00 0.00 H new ATOM 0 HB VAL A 14 3.313 -0.155 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.315 -1.577 -13.117 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.539 -1.999 -14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.332 -3.020 -12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.983 -0.675 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.041 -2.068 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.701 -0.417 -10.551 1.00 0.00 H new ATOM 216 N THR A 15 5.300 -2.942 -14.759 1.00 0.00 N ATOM 217 CA THR A 15 5.698 -3.093 -16.150 1.00 0.00 C ATOM 218 C THR A 15 4.481 -3.185 -17.069 1.00 0.00 C ATOM 219 O THR A 15 4.583 -2.945 -18.276 1.00 0.00 O ATOM 220 CB THR A 15 6.596 -4.332 -16.336 1.00 0.00 C ATOM 221 OG1 THR A 15 6.039 -5.455 -15.638 1.00 0.00 O ATOM 222 CG2 THR A 15 8.004 -4.062 -15.826 1.00 0.00 C ATOM 0 H THR A 15 5.187 -3.821 -14.255 1.00 0.00 H new ATOM 0 HA THR A 15 6.268 -2.205 -16.423 1.00 0.00 H new ATOM 0 HB THR A 15 6.647 -4.556 -17.401 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.795 -6.152 -16.282 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.619 -4.951 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.438 -3.229 -16.379 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.965 -3.813 -14.766 1.00 0.00 H new ATOM 230 N ALA A 16 3.338 -3.533 -16.491 1.00 0.00 N ATOM 231 CA ALA A 16 2.077 -3.585 -17.221 1.00 0.00 C ATOM 232 C ALA A 16 0.917 -3.558 -16.240 1.00 0.00 C ATOM 233 O ALA A 16 0.986 -4.171 -15.177 1.00 0.00 O ATOM 234 CB ALA A 16 2.003 -4.830 -18.095 1.00 0.00 C ATOM 0 H ALA A 16 3.259 -3.786 -15.506 1.00 0.00 H new ATOM 0 HA ALA A 16 2.017 -2.714 -17.874 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.053 -4.844 -18.628 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.822 -4.819 -18.814 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.081 -5.719 -17.469 1.00 0.00 H new ATOM 240 N TYR A 17 -0.138 -2.840 -16.583 1.00 0.00 N ATOM 241 CA TYR A 17 -1.289 -2.726 -15.702 1.00 0.00 C ATOM 242 C TYR A 17 -2.141 -3.988 -15.801 1.00 0.00 C ATOM 243 O TYR A 17 -2.029 -4.883 -14.970 1.00 0.00 O ATOM 244 CB TYR A 17 -2.108 -1.490 -16.070 1.00 0.00 C ATOM 245 CG TYR A 17 -2.869 -0.868 -14.918 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.199 -0.174 -13.916 1.00 0.00 C ATOM 247 CD2 TYR A 17 -4.254 -0.951 -14.844 1.00 0.00 C ATOM 248 CE1 TYR A 17 -2.887 0.420 -12.876 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.950 -0.362 -13.803 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.261 0.322 -12.822 1.00 0.00 C ATOM 251 OH TYR A 17 -4.946 0.924 -11.790 1.00 0.00 O ATOM 0 H TYR A 17 -0.223 -2.329 -17.462 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.947 -2.617 -14.673 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.439 -0.740 -16.492 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.817 -1.761 -16.852 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.122 -0.098 -13.952 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.796 -1.484 -15.611 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.351 0.959 -12.109 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.026 -0.437 -13.758 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.907 0.763 -11.897 1.00 0.00 H new ATOM 261 N GLY A 18 -2.953 -4.072 -16.848 1.00 0.00 N ATOM 262 CA GLY A 18 -3.787 -5.240 -17.051 1.00 0.00 C ATOM 263 C GLY A 18 -5.132 -5.130 -16.360 1.00 0.00 C ATOM 264 O GLY A 18 -5.325 -4.291 -15.478 1.00 0.00 O ATOM 0 H GLY A 18 -3.048 -3.349 -17.562 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.944 -5.387 -18.120 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.265 -6.122 -16.681 1.00 0.00 H new ATOM 268 N ASP A 19 -6.073 -5.966 -16.774 1.00 0.00 N ATOM 269 CA ASP A 19 -7.390 -5.994 -16.173 1.00 0.00 C ATOM 270 C ASP A 19 -7.570 -7.248 -15.333 1.00 0.00 C ATOM 271 O ASP A 19 -7.636 -8.359 -15.862 1.00 0.00 O ATOM 272 CB ASP A 19 -8.459 -5.932 -17.258 1.00 0.00 C ATOM 273 CG ASP A 19 -8.579 -4.558 -17.880 1.00 0.00 C ATOM 274 OD1 ASP A 19 -9.117 -3.646 -17.219 1.00 0.00 O ATOM 275 OD2 ASP A 19 -8.126 -4.377 -19.030 1.00 0.00 O ATOM 0 H ASP A 19 -5.943 -6.638 -17.531 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.492 -5.126 -15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.225 -6.659 -18.035 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.420 -6.219 -16.832 1.00 0.00 H new ATOM 280 N GLY A 20 -7.646 -7.069 -14.025 1.00 0.00 N ATOM 281 CA GLY A 20 -7.805 -8.199 -13.132 1.00 0.00 C ATOM 282 C GLY A 20 -6.492 -8.639 -12.527 1.00 0.00 C ATOM 283 O GLY A 20 -6.431 -9.638 -11.808 1.00 0.00 O ATOM 0 H GLY A 20 -7.601 -6.161 -13.563 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.500 -7.935 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.248 -9.032 -13.678 1.00 0.00 H new ATOM 287 N TYR A 21 -5.442 -7.890 -12.825 1.00 0.00 N ATOM 288 CA TYR A 21 -4.113 -8.183 -12.317 1.00 0.00 C ATOM 289 C TYR A 21 -3.237 -6.950 -12.451 1.00 0.00 C ATOM 290 O TYR A 21 -3.656 -5.955 -13.040 1.00 0.00 O ATOM 291 CB TYR A 21 -3.488 -9.364 -13.074 1.00 0.00 C ATOM 292 CG TYR A 21 -3.343 -9.136 -14.564 1.00 0.00 C ATOM 293 CD1 TYR A 21 -4.377 -9.452 -15.437 1.00 0.00 C ATOM 294 CD2 TYR A 21 -2.174 -8.606 -15.098 1.00 0.00 C ATOM 295 CE1 TYR A 21 -4.252 -9.242 -16.795 1.00 0.00 C ATOM 296 CE2 TYR A 21 -2.043 -8.394 -16.456 1.00 0.00 C ATOM 297 CZ TYR A 21 -3.084 -8.714 -17.299 1.00 0.00 C ATOM 298 OH TYR A 21 -2.963 -8.500 -18.650 1.00 0.00 O ATOM 0 H TYR A 21 -5.487 -7.065 -13.423 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.191 -8.459 -11.266 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.505 -9.573 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.100 -10.251 -12.911 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.293 -9.869 -15.046 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.355 -8.356 -14.440 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.066 -9.490 -17.460 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.129 -7.979 -16.855 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.080 -8.122 -18.844 1.00 0.00 H new ATOM 308 N ILE A 22 -2.042 -7.019 -11.886 1.00 0.00 N ATOM 309 CA ILE A 22 -1.048 -5.963 -12.014 1.00 0.00 C ATOM 310 C ILE A 22 0.321 -6.602 -12.227 1.00 0.00 C ATOM 311 O ILE A 22 0.745 -7.447 -11.436 1.00 0.00 O ATOM 312 CB ILE A 22 -1.010 -5.066 -10.754 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.380 -4.420 -10.517 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.066 -3.996 -10.891 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.481 -3.663 -9.213 1.00 0.00 C ATOM 0 H ILE A 22 -1.732 -7.812 -11.324 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.314 -5.334 -12.864 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.767 -5.690 -9.894 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.597 -3.738 -11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.145 -5.196 -10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.078 -3.375 -9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.039 -4.472 -11.015 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.148 -3.375 -11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.479 -3.235 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.297 -4.344 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.740 -2.864 -9.198 1.00 0.00 H new ATOM 327 N GLU A 23 0.998 -6.224 -13.299 1.00 0.00 N ATOM 328 CA GLU A 23 2.275 -6.833 -13.641 1.00 0.00 C ATOM 329 C GLU A 23 3.441 -6.016 -13.089 1.00 0.00 C ATOM 330 O GLU A 23 3.725 -4.916 -13.563 1.00 0.00 O ATOM 331 CB GLU A 23 2.411 -6.971 -15.158 1.00 0.00 C ATOM 332 CG GLU A 23 3.646 -7.741 -15.589 1.00 0.00 C ATOM 333 CD GLU A 23 3.900 -7.659 -17.079 1.00 0.00 C ATOM 334 OE1 GLU A 23 3.266 -8.417 -17.842 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.746 -6.838 -17.492 1.00 0.00 O ATOM 0 H GLU A 23 0.686 -5.500 -13.947 1.00 0.00 H new ATOM 0 HA GLU A 23 2.303 -7.824 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.526 -7.472 -15.550 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.439 -5.977 -15.604 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.514 -7.354 -15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.535 -8.786 -15.301 1.00 0.00 H new ATOM 342 N VAL A 24 4.111 -6.560 -12.087 1.00 0.00 N ATOM 343 CA VAL A 24 5.292 -5.926 -11.516 1.00 0.00 C ATOM 344 C VAL A 24 6.502 -6.826 -11.729 1.00 0.00 C ATOM 345 O VAL A 24 6.474 -7.993 -11.343 1.00 0.00 O ATOM 346 CB VAL A 24 5.117 -5.648 -10.006 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.341 -4.943 -9.438 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.860 -4.827 -9.754 1.00 0.00 C ATOM 0 H VAL A 24 3.857 -7.445 -11.648 1.00 0.00 H new ATOM 0 HA VAL A 24 5.438 -4.970 -12.019 1.00 0.00 H new ATOM 0 HB VAL A 24 5.010 -6.605 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.193 -4.758 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.221 -5.571 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.486 -3.994 -9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.755 -4.642 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.935 -3.876 -10.281 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.989 -5.375 -10.115 1.00 0.00 H new ATOM 358 N ASN A 25 7.547 -6.290 -12.368 1.00 0.00 N ATOM 359 CA ASN A 25 8.748 -7.074 -12.694 1.00 0.00 C ATOM 360 C ASN A 25 8.374 -8.207 -13.655 1.00 0.00 C ATOM 361 O ASN A 25 9.000 -9.266 -13.678 1.00 0.00 O ATOM 362 CB ASN A 25 9.387 -7.630 -11.406 1.00 0.00 C ATOM 363 CG ASN A 25 10.774 -8.227 -11.612 1.00 0.00 C ATOM 364 OD1 ASN A 25 11.545 -7.661 -12.531 1.00 0.00 O flip ATOM 365 ND2 ASN A 25 11.156 -9.180 -10.930 1.00 0.00 N flip ATOM 0 H ASN A 25 7.588 -5.317 -12.671 1.00 0.00 H new ATOM 0 HA ASN A 25 9.481 -6.431 -13.181 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.453 -6.829 -10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.732 -8.394 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.535 -9.589 -10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.093 -9.559 -11.063 1.00 0.00 H new ATOM 372 N GLN A 26 7.341 -7.944 -14.459 1.00 0.00 N ATOM 373 CA GLN A 26 6.767 -8.925 -15.384 1.00 0.00 C ATOM 374 C GLN A 26 6.120 -10.091 -14.641 1.00 0.00 C ATOM 375 O GLN A 26 5.802 -11.123 -15.236 1.00 0.00 O ATOM 376 CB GLN A 26 7.794 -9.434 -16.398 1.00 0.00 C ATOM 377 CG GLN A 26 8.260 -8.365 -17.372 1.00 0.00 C ATOM 378 CD GLN A 26 8.751 -8.945 -18.683 1.00 0.00 C ATOM 379 OE1 GLN A 26 9.248 -10.070 -18.734 1.00 0.00 O ATOM 380 NE2 GLN A 26 8.609 -8.182 -19.754 1.00 0.00 N ATOM 0 H GLN A 26 6.875 -7.037 -14.487 1.00 0.00 H new ATOM 0 HA GLN A 26 5.987 -8.404 -15.940 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.658 -9.829 -15.863 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.361 -10.262 -16.959 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.439 -7.675 -17.569 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.061 -7.785 -16.913 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.192 -7.255 -19.668 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.917 -8.520 -20.666 1.00 0.00 H new ATOM 389 N VAL A 27 5.913 -9.918 -13.344 1.00 0.00 N ATOM 390 CA VAL A 27 5.155 -10.876 -12.560 1.00 0.00 C ATOM 391 C VAL A 27 3.734 -10.358 -12.393 1.00 0.00 C ATOM 392 O VAL A 27 3.499 -9.359 -11.712 1.00 0.00 O ATOM 393 CB VAL A 27 5.787 -11.124 -11.174 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.028 -12.210 -10.425 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.257 -11.495 -11.311 1.00 0.00 C ATOM 0 H VAL A 27 6.261 -9.120 -12.813 1.00 0.00 H new ATOM 0 HA VAL A 27 5.157 -11.828 -13.090 1.00 0.00 H new ATOM 0 HB VAL A 27 5.720 -10.200 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.489 -12.370 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.991 -11.902 -10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.059 -13.137 -10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.683 -11.665 -10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.349 -12.403 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.793 -10.683 -11.802 1.00 0.00 H new ATOM 405 N ARG A 28 2.796 -11.021 -13.045 1.00 0.00 N ATOM 406 CA ARG A 28 1.417 -10.565 -13.072 1.00 0.00 C ATOM 407 C ARG A 28 0.648 -11.083 -11.866 1.00 0.00 C ATOM 408 O ARG A 28 0.177 -12.222 -11.852 1.00 0.00 O ATOM 409 CB ARG A 28 0.750 -11.003 -14.378 1.00 0.00 C ATOM 410 CG ARG A 28 1.477 -10.476 -15.603 1.00 0.00 C ATOM 411 CD ARG A 28 0.906 -11.022 -16.898 1.00 0.00 C ATOM 412 NE ARG A 28 1.663 -10.541 -18.053 1.00 0.00 N ATOM 413 CZ ARG A 28 1.737 -11.174 -19.221 1.00 0.00 C ATOM 414 NH1 ARG A 28 1.087 -12.315 -19.413 1.00 0.00 N ATOM 415 NH2 ARG A 28 2.463 -10.665 -20.205 1.00 0.00 N ATOM 0 H ARG A 28 2.965 -11.882 -13.566 1.00 0.00 H new ATOM 0 HA ARG A 28 1.408 -9.476 -13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.717 -12.092 -14.419 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.282 -10.652 -14.392 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.420 -9.388 -15.615 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.533 -10.739 -15.536 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.924 -12.112 -16.876 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.138 -10.723 -16.993 1.00 0.00 H new ATOM 0 HE ARG A 28 2.169 -9.660 -17.957 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.524 -12.714 -18.662 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.150 -12.793 -20.312 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.965 -9.788 -20.067 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.520 -11.150 -21.100 1.00 0.00 H new ATOM 429 N PHE A 29 0.550 -10.245 -10.846 1.00 0.00 N ATOM 430 CA PHE A 29 -0.180 -10.589 -9.638 1.00 0.00 C ATOM 431 C PHE A 29 -1.663 -10.305 -9.829 1.00 0.00 C ATOM 432 O PHE A 29 -2.065 -9.157 -10.005 1.00 0.00 O ATOM 433 CB PHE A 29 0.340 -9.794 -8.438 1.00 0.00 C ATOM 434 CG PHE A 29 1.775 -10.071 -8.074 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.098 -11.108 -7.211 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.798 -9.282 -8.576 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.413 -11.352 -6.859 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.114 -9.522 -8.229 1.00 0.00 C ATOM 439 CZ PHE A 29 4.421 -10.558 -7.369 1.00 0.00 C ATOM 0 H PHE A 29 0.970 -9.316 -10.832 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.031 -11.651 -9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.232 -8.730 -8.650 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.288 -10.013 -7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.313 -11.732 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.564 -8.469 -9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.651 -12.162 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.901 -8.900 -8.630 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.449 -10.747 -7.096 1.00 0.00 H new ATOM 449 N SER A 30 -2.470 -11.351 -9.799 1.00 0.00 N ATOM 450 CA SER A 30 -3.910 -11.219 -9.963 1.00 0.00 C ATOM 451 C SER A 30 -4.602 -11.027 -8.612 1.00 0.00 C ATOM 452 O SER A 30 -5.766 -11.388 -8.433 1.00 0.00 O ATOM 453 CB SER A 30 -4.439 -12.459 -10.677 1.00 0.00 C ATOM 454 OG SER A 30 -3.760 -13.618 -10.224 1.00 0.00 O ATOM 0 H SER A 30 -2.150 -12.310 -9.661 1.00 0.00 H new ATOM 0 HA SER A 30 -4.126 -10.335 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.509 -12.562 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.308 -12.350 -11.754 1.00 0.00 H new ATOM 0 HG SER A 30 -4.111 -14.406 -10.689 1.00 0.00 H new ATOM 460 N HIS A 31 -3.877 -10.437 -7.670 1.00 0.00 N ATOM 461 CA HIS A 31 -4.401 -10.182 -6.335 1.00 0.00 C ATOM 462 C HIS A 31 -3.673 -8.998 -5.713 1.00 0.00 C ATOM 463 O HIS A 31 -2.686 -8.520 -6.268 1.00 0.00 O ATOM 464 CB HIS A 31 -4.273 -11.428 -5.442 1.00 0.00 C ATOM 465 CG HIS A 31 -2.863 -11.874 -5.184 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.163 -12.702 -6.034 1.00 0.00 N ATOM 467 CD2 HIS A 31 -2.032 -11.617 -4.148 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.966 -12.932 -5.530 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.859 -12.287 -4.385 1.00 0.00 N ATOM 0 H HIS A 31 -2.916 -10.124 -7.808 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.461 -9.943 -6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.756 -11.224 -4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.820 -12.249 -5.906 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.515 -13.078 -6.914 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.252 -10.998 -3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.201 -13.547 -5.980 1.00 0.00 H new ATOM 478 N ALA A 32 -4.161 -8.535 -4.567 1.00 0.00 N ATOM 479 CA ALA A 32 -3.584 -7.374 -3.901 1.00 0.00 C ATOM 480 C ALA A 32 -2.153 -7.650 -3.453 1.00 0.00 C ATOM 481 O ALA A 32 -1.846 -8.736 -2.953 1.00 0.00 O ATOM 482 CB ALA A 32 -4.450 -6.963 -2.720 1.00 0.00 C ATOM 0 H ALA A 32 -4.956 -8.947 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.553 -6.551 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.009 -6.095 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.450 -6.712 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.512 -7.788 -2.010 1.00 0.00 H new ATOM 488 N ILE A 33 -1.281 -6.672 -3.647 1.00 0.00 N ATOM 489 CA ILE A 33 0.130 -6.815 -3.308 1.00 0.00 C ATOM 490 C ILE A 33 0.689 -5.520 -2.738 1.00 0.00 C ATOM 491 O ILE A 33 0.258 -4.431 -3.113 1.00 0.00 O ATOM 492 CB ILE A 33 0.981 -7.210 -4.535 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.697 -6.262 -5.708 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.721 -8.658 -4.923 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.593 -6.483 -6.906 1.00 0.00 C ATOM 0 H ILE A 33 -1.527 -5.764 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 33 0.186 -7.608 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 33 2.035 -7.119 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.342 -6.382 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.811 -5.233 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.330 -8.917 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.980 -9.310 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.333 -8.785 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.330 -5.775 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.633 -6.333 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.463 -7.500 -7.275 1.00 0.00 H new ATOM 507 N ALA A 34 1.641 -5.648 -1.831 1.00 0.00 N ATOM 508 CA ALA A 34 2.325 -4.495 -1.272 1.00 0.00 C ATOM 509 C ALA A 34 3.823 -4.621 -1.498 1.00 0.00 C ATOM 510 O ALA A 34 4.455 -5.549 -0.995 1.00 0.00 O ATOM 511 CB ALA A 34 2.015 -4.355 0.210 1.00 0.00 C ATOM 0 H ALA A 34 1.960 -6.545 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 34 1.969 -3.597 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.537 -3.486 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.941 -4.229 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.345 -5.250 0.737 1.00 0.00 H new ATOM 517 N PHE A 35 4.386 -3.704 -2.265 1.00 0.00 N ATOM 518 CA PHE A 35 5.800 -3.763 -2.597 1.00 0.00 C ATOM 519 C PHE A 35 6.449 -2.392 -2.471 1.00 0.00 C ATOM 520 O PHE A 35 5.770 -1.362 -2.511 1.00 0.00 O ATOM 521 CB PHE A 35 6.006 -4.330 -4.011 1.00 0.00 C ATOM 522 CG PHE A 35 5.349 -3.534 -5.107 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.005 -3.707 -5.401 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.079 -2.619 -5.850 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.402 -2.981 -6.410 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.481 -1.892 -6.862 1.00 0.00 C ATOM 527 CZ PHE A 35 4.141 -2.072 -7.142 1.00 0.00 C ATOM 0 H PHE A 35 3.888 -2.911 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 35 6.282 -4.433 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.076 -4.388 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.621 -5.349 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.422 -4.418 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.127 -2.473 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.354 -3.124 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.062 -1.183 -7.434 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.672 -1.504 -7.931 1.00 0.00 H new ATOM 537 N ALA A 36 7.761 -2.392 -2.298 1.00 0.00 N ATOM 538 CA ALA A 36 8.521 -1.165 -2.129 1.00 0.00 C ATOM 539 C ALA A 36 9.835 -1.243 -2.897 1.00 0.00 C ATOM 540 O ALA A 36 10.284 -2.338 -3.231 1.00 0.00 O ATOM 541 CB ALA A 36 8.787 -0.933 -0.651 1.00 0.00 C ATOM 0 H ALA A 36 8.327 -3.240 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 36 7.943 -0.330 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.357 -0.013 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.839 -0.849 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.356 -1.771 -0.248 1.00 0.00 H new ATOM 547 N PRO A 37 10.468 -0.089 -3.194 1.00 0.00 N ATOM 548 CA PRO A 37 11.807 -0.057 -3.790 1.00 0.00 C ATOM 549 C PRO A 37 12.798 -0.815 -2.916 1.00 0.00 C ATOM 550 O PRO A 37 13.444 -1.767 -3.357 1.00 0.00 O ATOM 551 CB PRO A 37 12.157 1.438 -3.843 1.00 0.00 C ATOM 552 CG PRO A 37 11.162 2.115 -2.958 1.00 0.00 C ATOM 553 CD PRO A 37 9.928 1.262 -2.989 1.00 0.00 C ATOM 0 HA PRO A 37 11.843 -0.528 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.175 1.615 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.098 1.819 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.545 2.209 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.948 3.123 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.363 1.335 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.255 1.555 -3.795 1.00 0.00 H new ATOM 561 N GLU A 38 12.897 -0.391 -1.664 1.00 0.00 N ATOM 562 CA GLU A 38 13.633 -1.135 -0.661 1.00 0.00 C ATOM 563 C GLU A 38 12.645 -1.772 0.303 1.00 0.00 C ATOM 564 O GLU A 38 12.067 -1.092 1.154 1.00 0.00 O ATOM 565 CB GLU A 38 14.603 -0.234 0.105 1.00 0.00 C ATOM 566 CG GLU A 38 15.718 0.348 -0.747 1.00 0.00 C ATOM 567 CD GLU A 38 16.802 0.994 0.091 1.00 0.00 C ATOM 568 OE1 GLU A 38 17.724 0.272 0.525 1.00 0.00 O ATOM 569 OE2 GLU A 38 16.736 2.219 0.324 1.00 0.00 O ATOM 0 H GLU A 38 12.473 0.471 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 38 14.222 -1.904 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.042 0.584 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.045 -0.806 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.156 -0.441 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.302 1.087 -1.432 1.00 0.00 H new ATOM 576 N GLY A 39 12.425 -3.064 0.147 1.00 0.00 N ATOM 577 CA GLY A 39 11.474 -3.757 0.988 1.00 0.00 C ATOM 578 C GLY A 39 10.982 -5.036 0.348 1.00 0.00 C ATOM 579 O GLY A 39 11.381 -5.359 -0.769 1.00 0.00 O ATOM 0 H GLY A 39 12.889 -3.649 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.938 -3.986 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.626 -3.103 1.192 1.00 0.00 H new ATOM 583 N PRO A 40 10.115 -5.789 1.034 1.00 0.00 N ATOM 584 CA PRO A 40 9.608 -7.062 0.538 1.00 0.00 C ATOM 585 C PRO A 40 8.350 -6.910 -0.312 1.00 0.00 C ATOM 586 O PRO A 40 7.819 -5.809 -0.472 1.00 0.00 O ATOM 587 CB PRO A 40 9.288 -7.804 1.831 1.00 0.00 C ATOM 588 CG PRO A 40 8.864 -6.736 2.787 1.00 0.00 C ATOM 589 CD PRO A 40 9.558 -5.462 2.359 1.00 0.00 C ATOM 0 HA PRO A 40 10.319 -7.566 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.496 -8.538 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.158 -8.345 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.781 -6.610 2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.138 -7.001 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.860 -4.626 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.341 -5.178 3.062 1.00 0.00 H new ATOM 597 N VAL A 41 7.886 -8.023 -0.861 1.00 0.00 N ATOM 598 CA VAL A 41 6.629 -8.048 -1.591 1.00 0.00 C ATOM 599 C VAL A 41 5.596 -8.829 -0.790 1.00 0.00 C ATOM 600 O VAL A 41 5.655 -10.057 -0.712 1.00 0.00 O ATOM 601 CB VAL A 41 6.777 -8.683 -2.993 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.468 -8.588 -3.767 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.905 -8.020 -3.769 1.00 0.00 C ATOM 0 H VAL A 41 8.364 -8.923 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 41 6.308 -7.016 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 41 7.024 -9.737 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.593 -9.040 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.684 -9.115 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.189 -7.541 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.991 -8.483 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.691 -6.958 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.842 -8.144 -3.226 1.00 0.00 H new ATOM 613 N ALA A 42 4.672 -8.113 -0.172 1.00 0.00 N ATOM 614 CA ALA A 42 3.657 -8.734 0.659 1.00 0.00 C ATOM 615 C ALA A 42 2.472 -9.174 -0.185 1.00 0.00 C ATOM 616 O ALA A 42 1.908 -8.381 -0.944 1.00 0.00 O ATOM 617 CB ALA A 42 3.209 -7.778 1.756 1.00 0.00 C ATOM 0 H ALA A 42 4.605 -7.097 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 42 4.089 -9.618 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.448 -8.260 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.063 -7.513 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.795 -6.876 1.306 1.00 0.00 H new ATOM 623 N SER A 43 2.107 -10.439 -0.061 1.00 0.00 N ATOM 624 CA SER A 43 0.985 -10.982 -0.801 1.00 0.00 C ATOM 625 C SER A 43 -0.292 -10.844 0.022 1.00 0.00 C ATOM 626 O SER A 43 -0.397 -11.385 1.125 1.00 0.00 O ATOM 627 CB SER A 43 1.254 -12.450 -1.151 1.00 0.00 C ATOM 628 OG SER A 43 0.238 -12.982 -1.987 1.00 0.00 O ATOM 0 H SER A 43 2.575 -11.110 0.548 1.00 0.00 H new ATOM 0 HA SER A 43 0.858 -10.425 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.219 -12.535 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.317 -13.037 -0.235 1.00 0.00 H new ATOM 0 HG SER A 43 0.109 -12.394 -2.760 1.00 0.00 H new ATOM 634 N TRP A 44 -1.248 -10.101 -0.507 1.00 0.00 N ATOM 635 CA TRP A 44 -2.506 -9.875 0.184 1.00 0.00 C ATOM 636 C TRP A 44 -3.588 -10.815 -0.332 1.00 0.00 C ATOM 637 O TRP A 44 -3.804 -10.931 -1.539 1.00 0.00 O ATOM 638 CB TRP A 44 -2.969 -8.431 -0.015 1.00 0.00 C ATOM 639 CG TRP A 44 -2.673 -7.513 1.133 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.834 -7.738 2.185 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.236 -6.212 1.336 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.845 -6.655 3.033 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.697 -5.703 2.529 1.00 0.00 C ATOM 644 CE3 TRP A 44 -4.143 -5.429 0.615 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.042 -4.446 3.024 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.485 -4.184 1.106 1.00 0.00 C ATOM 647 CH2 TRP A 44 -3.933 -3.701 2.299 1.00 0.00 C ATOM 0 H TRP A 44 -1.177 -9.643 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.341 -10.068 1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.495 -8.033 -0.912 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.044 -8.430 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.248 -8.634 2.330 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.308 -6.572 3.896 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.568 -5.791 -0.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.621 -4.073 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.189 -3.573 0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.216 -2.721 2.654 1.00 0.00 H new ATOM 658 N PRO A 45 -4.288 -11.494 0.588 1.00 0.00 N ATOM 659 CA PRO A 45 -5.451 -12.313 0.256 1.00 0.00 C ATOM 660 C PRO A 45 -6.712 -11.458 0.135 1.00 0.00 C ATOM 661 O PRO A 45 -7.835 -11.943 0.285 1.00 0.00 O ATOM 662 CB PRO A 45 -5.549 -13.267 1.442 1.00 0.00 C ATOM 663 CG PRO A 45 -4.994 -12.499 2.595 1.00 0.00 C ATOM 664 CD PRO A 45 -3.983 -11.532 2.032 1.00 0.00 C ATOM 0 HA PRO A 45 -5.355 -12.825 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.581 -13.565 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.980 -14.180 1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.786 -11.966 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.527 -13.169 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.079 -10.546 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.963 -11.870 2.215 1.00 0.00 H new ATOM 672 N VAL A 46 -6.500 -10.182 -0.140 1.00 0.00 N ATOM 673 CA VAL A 46 -7.573 -9.208 -0.252 1.00 0.00 C ATOM 674 C VAL A 46 -8.153 -9.203 -1.660 1.00 0.00 C ATOM 675 O VAL A 46 -7.412 -9.257 -2.646 1.00 0.00 O ATOM 676 CB VAL A 46 -7.058 -7.801 0.115 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.107 -6.736 -0.153 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.616 -7.763 1.567 1.00 0.00 C ATOM 0 H VAL A 46 -5.571 -9.790 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.363 -9.488 0.445 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.199 -7.583 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.710 -5.758 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.369 -6.742 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.996 -6.943 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.255 -6.764 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.460 -8.012 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.815 -8.486 1.723 1.00 0.00 H new ATOM 688 N GLN A 47 -9.474 -9.161 -1.743 1.00 0.00 N ATOM 689 CA GLN A 47 -10.167 -9.165 -3.025 1.00 0.00 C ATOM 690 C GLN A 47 -10.962 -7.875 -3.194 1.00 0.00 C ATOM 691 O GLN A 47 -11.248 -7.444 -4.314 1.00 0.00 O ATOM 692 CB GLN A 47 -11.109 -10.370 -3.107 1.00 0.00 C ATOM 693 CG GLN A 47 -10.413 -11.707 -2.904 1.00 0.00 C ATOM 694 CD GLN A 47 -9.508 -12.084 -4.062 1.00 0.00 C ATOM 695 OE1 GLN A 47 -9.928 -12.758 -4.999 1.00 0.00 O ATOM 696 NE2 GLN A 47 -8.263 -11.639 -4.014 1.00 0.00 N ATOM 0 H GLN A 47 -10.092 -9.123 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.429 -9.234 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.891 -10.260 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.600 -10.370 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.825 -11.669 -1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.164 -12.485 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.951 -11.082 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.615 -11.853 -4.772 1.00 0.00 H new ATOM 705 N ARG A 48 -11.305 -7.264 -2.070 1.00 0.00 N ATOM 706 CA ARG A 48 -12.127 -6.063 -2.057 1.00 0.00 C ATOM 707 C ARG A 48 -11.592 -5.074 -1.022 1.00 0.00 C ATOM 708 O ARG A 48 -10.945 -5.474 -0.056 1.00 0.00 O ATOM 709 CB ARG A 48 -13.572 -6.449 -1.729 1.00 0.00 C ATOM 710 CG ARG A 48 -13.683 -7.227 -0.435 1.00 0.00 C ATOM 711 CD ARG A 48 -14.976 -8.008 -0.342 1.00 0.00 C ATOM 712 NE ARG A 48 -14.887 -9.043 0.683 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.392 -10.267 0.554 1.00 0.00 C ATOM 714 NH1 ARG A 48 -16.057 -10.607 -0.544 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.225 -11.152 1.524 1.00 0.00 N ATOM 0 H ARG A 48 -11.023 -7.585 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.095 -5.586 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.179 -5.547 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -13.980 -7.046 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.840 -7.913 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.616 -6.538 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.798 -7.331 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.200 -8.464 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.407 -8.813 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.183 -9.928 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.442 -11.547 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.711 -10.894 2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.611 -12.092 1.429 1.00 0.00 H new ATOM 729 N PRO A 49 -11.871 -3.771 -1.192 1.00 0.00 N ATOM 730 CA PRO A 49 -11.387 -2.731 -0.270 1.00 0.00 C ATOM 731 C PRO A 49 -12.008 -2.836 1.125 1.00 0.00 C ATOM 732 O PRO A 49 -11.730 -2.017 2.003 1.00 0.00 O ATOM 733 CB PRO A 49 -11.816 -1.425 -0.947 1.00 0.00 C ATOM 734 CG PRO A 49 -12.956 -1.805 -1.826 1.00 0.00 C ATOM 735 CD PRO A 49 -12.668 -3.204 -2.292 1.00 0.00 C ATOM 0 HA PRO A 49 -10.313 -2.813 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.116 -0.679 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.999 -0.993 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.900 -1.761 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.042 -1.122 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.585 -3.770 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.117 -3.209 -3.232 1.00 0.00 H new ATOM 743 N ALA A 50 -12.846 -3.847 1.321 1.00 0.00 N ATOM 744 CA ALA A 50 -13.514 -4.062 2.596 1.00 0.00 C ATOM 745 C ALA A 50 -12.743 -5.050 3.467 1.00 0.00 C ATOM 746 O ALA A 50 -12.992 -5.150 4.668 1.00 0.00 O ATOM 747 CB ALA A 50 -14.934 -4.559 2.366 1.00 0.00 C ATOM 0 H ALA A 50 -13.080 -4.535 0.606 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.550 -3.108 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.424 -4.717 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.490 -3.818 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.906 -5.499 1.815 1.00 0.00 H new ATOM 753 N ASP A 51 -11.803 -5.775 2.861 1.00 0.00 N ATOM 754 CA ASP A 51 -11.029 -6.783 3.591 1.00 0.00 C ATOM 755 C ASP A 51 -9.953 -6.124 4.442 1.00 0.00 C ATOM 756 O ASP A 51 -9.439 -6.726 5.385 1.00 0.00 O ATOM 757 CB ASP A 51 -10.349 -7.777 2.638 1.00 0.00 C ATOM 758 CG ASP A 51 -11.312 -8.513 1.728 1.00 0.00 C ATOM 759 OD1 ASP A 51 -12.320 -9.061 2.233 1.00 0.00 O ATOM 760 OD2 ASP A 51 -11.062 -8.546 0.501 1.00 0.00 O ATOM 0 H ASP A 51 -11.559 -5.686 1.875 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.734 -7.320 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.624 -7.240 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.792 -8.506 3.226 1.00 0.00 H new ATOM 765 N ILE A 52 -9.627 -4.884 4.099 1.00 0.00 N ATOM 766 CA ILE A 52 -8.510 -4.172 4.711 1.00 0.00 C ATOM 767 C ILE A 52 -8.722 -3.953 6.208 1.00 0.00 C ATOM 768 O ILE A 52 -9.668 -3.283 6.626 1.00 0.00 O ATOM 769 CB ILE A 52 -8.276 -2.808 4.024 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.064 -3.006 2.520 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.079 -2.095 4.644 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.895 -1.714 1.751 1.00 0.00 C ATOM 0 H ILE A 52 -10.127 -4.345 3.392 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.630 -4.801 4.576 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.158 -2.186 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.182 -3.628 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.914 -3.552 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.929 -1.136 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.264 -1.929 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.187 -2.709 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.750 -1.936 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.786 -1.099 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.027 -1.175 2.131 1.00 0.00 H new ATOM 784 N THR A 53 -7.837 -4.536 7.002 1.00 0.00 N ATOM 785 CA THR A 53 -7.839 -4.348 8.442 1.00 0.00 C ATOM 786 C THR A 53 -6.503 -3.775 8.890 1.00 0.00 C ATOM 787 O THR A 53 -5.580 -3.640 8.082 1.00 0.00 O ATOM 788 CB THR A 53 -8.083 -5.678 9.178 1.00 0.00 C ATOM 789 OG1 THR A 53 -7.172 -6.677 8.695 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.515 -6.151 8.993 1.00 0.00 C ATOM 0 H THR A 53 -7.098 -5.153 6.665 1.00 0.00 H new ATOM 0 HA THR A 53 -8.646 -3.658 8.687 1.00 0.00 H new ATOM 0 HB THR A 53 -7.913 -5.515 10.242 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.331 -7.521 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.659 -7.092 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.200 -5.402 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.715 -6.298 7.932 1.00 0.00 H new ATOM 798 N ALA A 54 -6.389 -3.461 10.176 1.00 0.00 N ATOM 799 CA ALA A 54 -5.142 -2.951 10.728 1.00 0.00 C ATOM 800 C ALA A 54 -4.071 -4.035 10.691 1.00 0.00 C ATOM 801 O ALA A 54 -2.884 -3.748 10.540 1.00 0.00 O ATOM 802 CB ALA A 54 -5.351 -2.453 12.151 1.00 0.00 C ATOM 0 H ALA A 54 -7.145 -3.551 10.854 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.809 -2.110 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.408 -2.076 12.547 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.091 -1.653 12.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.704 -3.274 12.776 1.00 0.00 H new ATOM 808 N SER A 55 -4.509 -5.285 10.813 1.00 0.00 N ATOM 809 CA SER A 55 -3.610 -6.428 10.742 1.00 0.00 C ATOM 810 C SER A 55 -2.946 -6.490 9.368 1.00 0.00 C ATOM 811 O SER A 55 -1.732 -6.670 9.250 1.00 0.00 O ATOM 812 CB SER A 55 -4.393 -7.717 10.999 1.00 0.00 C ATOM 813 OG SER A 55 -5.249 -7.579 12.124 1.00 0.00 O ATOM 0 H SER A 55 -5.488 -5.531 10.962 1.00 0.00 H new ATOM 0 HA SER A 55 -2.837 -6.319 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.983 -7.970 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.699 -8.541 11.165 1.00 0.00 H new ATOM 0 HG SER A 55 -5.740 -8.415 12.266 1.00 0.00 H new ATOM 819 N LEU A 56 -3.754 -6.308 8.331 1.00 0.00 N ATOM 820 CA LEU A 56 -3.265 -6.365 6.962 1.00 0.00 C ATOM 821 C LEU A 56 -2.373 -5.171 6.651 1.00 0.00 C ATOM 822 O LEU A 56 -1.446 -5.279 5.850 1.00 0.00 O ATOM 823 CB LEU A 56 -4.434 -6.430 5.980 1.00 0.00 C ATOM 824 CG LEU A 56 -5.298 -7.686 6.099 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.436 -7.644 5.096 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.456 -8.937 5.894 1.00 0.00 C ATOM 0 H LEU A 56 -4.753 -6.119 8.414 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.668 -7.270 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.066 -5.555 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.042 -6.370 4.965 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.721 -7.717 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.041 -8.545 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.056 -6.768 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.029 -7.588 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.089 -9.820 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.004 -8.913 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.672 -8.976 6.650 1.00 0.00 H new ATOM 838 N LEU A 57 -2.648 -4.041 7.293 1.00 0.00 N ATOM 839 CA LEU A 57 -1.813 -2.855 7.140 1.00 0.00 C ATOM 840 C LEU A 57 -0.404 -3.128 7.656 1.00 0.00 C ATOM 841 O LEU A 57 0.581 -2.675 7.074 1.00 0.00 O ATOM 842 CB LEU A 57 -2.424 -1.663 7.882 1.00 0.00 C ATOM 843 CG LEU A 57 -3.757 -1.157 7.324 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.286 -0.009 8.169 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.598 -0.722 5.875 1.00 0.00 C ATOM 0 H LEU A 57 -3.441 -3.921 7.923 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.758 -2.611 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.568 -1.941 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.708 -0.841 7.867 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.478 -1.974 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.234 0.338 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.438 -0.351 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.566 0.809 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.555 -0.365 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.862 0.080 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.262 -1.568 5.276 1.00 0.00 H new ATOM 857 N GLN A 58 -0.319 -3.887 8.743 1.00 0.00 N ATOM 858 CA GLN A 58 0.965 -4.280 9.309 1.00 0.00 C ATOM 859 C GLN A 58 1.725 -5.187 8.345 1.00 0.00 C ATOM 860 O GLN A 58 2.947 -5.087 8.215 1.00 0.00 O ATOM 861 CB GLN A 58 0.763 -4.991 10.647 1.00 0.00 C ATOM 862 CG GLN A 58 0.205 -4.090 11.736 1.00 0.00 C ATOM 863 CD GLN A 58 -0.122 -4.847 13.007 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.492 -6.021 12.970 1.00 0.00 O ATOM 865 NE2 GLN A 58 0.026 -4.186 14.143 1.00 0.00 N ATOM 0 H GLN A 58 -1.128 -4.243 9.251 1.00 0.00 H new ATOM 0 HA GLN A 58 1.554 -3.378 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.087 -5.834 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.717 -5.400 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.929 -3.306 11.960 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.695 -3.597 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.335 -3.214 14.131 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.169 -4.648 15.031 1.00 0.00 H new ATOM 874 N GLN A 59 0.994 -6.070 7.669 1.00 0.00 N ATOM 875 CA GLN A 59 1.595 -6.949 6.672 1.00 0.00 C ATOM 876 C GLN A 59 2.054 -6.143 5.461 1.00 0.00 C ATOM 877 O GLN A 59 3.148 -6.356 4.942 1.00 0.00 O ATOM 878 CB GLN A 59 0.609 -8.032 6.219 1.00 0.00 C ATOM 879 CG GLN A 59 0.058 -8.884 7.350 1.00 0.00 C ATOM 880 CD GLN A 59 -0.689 -10.106 6.844 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.252 -10.097 5.746 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.705 -11.164 7.639 1.00 0.00 N ATOM 0 H GLN A 59 -0.011 -6.195 7.793 1.00 0.00 H new ATOM 0 HA GLN A 59 2.455 -7.433 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.222 -7.556 5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.106 -8.682 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.878 -9.203 7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.611 -8.280 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.227 -11.132 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.195 -12.011 7.351 1.00 0.00 H new ATOM 891 N ALA A 60 1.215 -5.201 5.037 1.00 0.00 N ATOM 892 CA ALA A 60 1.496 -4.376 3.865 1.00 0.00 C ATOM 893 C ALA A 60 2.707 -3.479 4.089 1.00 0.00 C ATOM 894 O ALA A 60 3.383 -3.089 3.142 1.00 0.00 O ATOM 895 CB ALA A 60 0.281 -3.532 3.513 1.00 0.00 C ATOM 0 H ALA A 60 0.327 -4.989 5.492 1.00 0.00 H new ATOM 0 HA ALA A 60 1.723 -5.045 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.503 -2.922 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.565 -4.184 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.032 -2.884 4.353 1.00 0.00 H new ATOM 901 N ALA A 61 2.972 -3.154 5.347 1.00 0.00 N ATOM 902 CA ALA A 61 4.115 -2.324 5.694 1.00 0.00 C ATOM 903 C ALA A 61 5.420 -3.107 5.565 1.00 0.00 C ATOM 904 O ALA A 61 6.506 -2.529 5.585 1.00 0.00 O ATOM 905 CB ALA A 61 3.955 -1.774 7.102 1.00 0.00 C ATOM 0 H ALA A 61 2.410 -3.453 6.144 1.00 0.00 H new ATOM 0 HA ALA A 61 4.157 -1.488 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.817 -1.154 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.048 -1.173 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.886 -2.600 7.810 1.00 0.00 H new ATOM 911 N GLY A 62 5.300 -4.427 5.434 1.00 0.00 N ATOM 912 CA GLY A 62 6.465 -5.278 5.279 1.00 0.00 C ATOM 913 C GLY A 62 7.360 -5.268 6.501 1.00 0.00 C ATOM 914 O GLY A 62 8.570 -5.479 6.395 1.00 0.00 O ATOM 0 H GLY A 62 4.409 -4.923 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.140 -6.299 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.037 -4.950 4.411 1.00 0.00 H new ATOM 918 N LEU A 63 6.762 -5.032 7.662 1.00 0.00 N ATOM 919 CA LEU A 63 7.515 -4.923 8.904 1.00 0.00 C ATOM 920 C LEU A 63 8.058 -6.278 9.342 1.00 0.00 C ATOM 921 O LEU A 63 9.247 -6.558 9.178 1.00 0.00 O ATOM 922 CB LEU A 63 6.635 -4.334 10.011 1.00 0.00 C ATOM 923 CG LEU A 63 6.071 -2.941 9.725 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.169 -2.489 10.862 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.197 -1.942 9.508 1.00 0.00 C ATOM 0 H LEU A 63 5.755 -4.912 7.769 1.00 0.00 H new ATOM 0 HA LEU A 63 8.359 -4.258 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.803 -5.015 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.218 -4.290 10.931 1.00 0.00 H new ATOM 0 HG LEU A 63 5.477 -2.991 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.776 -1.496 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.342 -3.190 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.741 -2.456 11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.776 -0.957 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.818 -1.894 10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.805 -2.257 8.660 1.00 0.00 H new ATOM 1274 N ALA A 88 11.371 1.194 8.013 1.00 0.00 N ATOM 1275 CA ALA A 88 9.954 0.986 7.789 1.00 0.00 C ATOM 1276 C ALA A 88 9.403 2.071 6.874 1.00 0.00 C ATOM 1277 O ALA A 88 10.005 3.140 6.751 1.00 0.00 O ATOM 1278 CB ALA A 88 9.217 0.985 9.121 1.00 0.00 C ATOM 0 HA ALA A 88 9.806 0.021 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.152 0.828 8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.604 0.184 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.366 1.942 9.620 1.00 0.00 H new ATOM 1284 N PRO A 89 8.264 1.812 6.214 1.00 0.00 N ATOM 1285 CA PRO A 89 7.615 2.787 5.341 1.00 0.00 C ATOM 1286 C PRO A 89 7.419 4.129 6.032 1.00 0.00 C ATOM 1287 O PRO A 89 6.652 4.243 6.986 1.00 0.00 O ATOM 1288 CB PRO A 89 6.252 2.155 5.016 1.00 0.00 C ATOM 1289 CG PRO A 89 6.117 0.991 5.941 1.00 0.00 C ATOM 1290 CD PRO A 89 7.515 0.550 6.257 1.00 0.00 C ATOM 0 HA PRO A 89 8.217 2.994 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.443 2.870 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.207 1.835 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.583 1.273 6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.550 0.186 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.579 0.073 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.888 -0.169 5.527 1.00 0.00 H new ATOM 1298 N GLU A 90 8.144 5.134 5.569 1.00 0.00 N ATOM 1299 CA GLU A 90 7.977 6.484 6.074 1.00 0.00 C ATOM 1300 C GLU A 90 6.626 6.999 5.606 1.00 0.00 C ATOM 1301 O GLU A 90 5.950 7.772 6.292 1.00 0.00 O ATOM 1302 CB GLU A 90 9.106 7.377 5.560 1.00 0.00 C ATOM 1303 CG GLU A 90 9.708 8.273 6.626 1.00 0.00 C ATOM 1304 CD GLU A 90 10.810 9.154 6.083 1.00 0.00 C ATOM 1305 OE1 GLU A 90 11.885 8.628 5.728 1.00 0.00 O ATOM 1306 OE2 GLU A 90 10.602 10.380 5.994 1.00 0.00 O ATOM 0 H GLU A 90 8.854 5.039 4.843 1.00 0.00 H new ATOM 0 HA GLU A 90 8.016 6.492 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.891 6.749 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.726 7.998 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.925 8.898 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.104 7.657 7.434 1.00 0.00 H new ATOM 1313 N VAL A 91 6.245 6.535 4.426 1.00 0.00 N ATOM 1314 CA VAL A 91 4.935 6.790 3.866 1.00 0.00 C ATOM 1315 C VAL A 91 4.377 5.498 3.266 1.00 0.00 C ATOM 1316 O VAL A 91 5.071 4.781 2.539 1.00 0.00 O ATOM 1317 CB VAL A 91 4.985 7.913 2.801 1.00 0.00 C ATOM 1318 CG1 VAL A 91 6.058 7.631 1.761 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.628 8.101 2.139 1.00 0.00 C ATOM 0 H VAL A 91 6.845 5.966 3.828 1.00 0.00 H new ATOM 0 HA VAL A 91 4.275 7.130 4.664 1.00 0.00 H new ATOM 0 HB VAL A 91 5.243 8.842 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.072 8.435 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.031 7.569 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.842 6.686 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.693 8.896 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.329 7.173 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.889 8.370 2.894 1.00 0.00 H new ATOM 1329 N LEU A 92 3.140 5.186 3.609 1.00 0.00 N ATOM 1330 CA LEU A 92 2.493 3.978 3.130 1.00 0.00 C ATOM 1331 C LEU A 92 1.347 4.340 2.200 1.00 0.00 C ATOM 1332 O LEU A 92 0.421 5.051 2.590 1.00 0.00 O ATOM 1333 CB LEU A 92 1.973 3.148 4.306 1.00 0.00 C ATOM 1334 CG LEU A 92 1.322 1.814 3.931 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.341 0.870 3.314 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.674 1.178 5.149 1.00 0.00 C ATOM 0 H LEU A 92 2.560 5.758 4.223 1.00 0.00 H new ATOM 0 HA LEU A 92 3.223 3.383 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.803 2.950 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.247 3.745 4.857 1.00 0.00 H new ATOM 0 HG LEU A 92 0.547 2.009 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.855 -0.071 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.758 1.322 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.142 0.681 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.216 0.231 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.431 1.000 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.091 1.846 5.545 1.00 0.00 H new ATOM 1348 N LEU A 93 1.414 3.859 0.972 1.00 0.00 N ATOM 1349 CA LEU A 93 0.392 4.156 -0.013 1.00 0.00 C ATOM 1350 C LEU A 93 -0.561 2.981 -0.154 1.00 0.00 C ATOM 1351 O LEU A 93 -0.218 1.957 -0.745 1.00 0.00 O ATOM 1352 CB LEU A 93 1.027 4.485 -1.365 1.00 0.00 C ATOM 1353 CG LEU A 93 2.009 5.658 -1.356 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.582 5.877 -2.743 1.00 0.00 C ATOM 1355 CD2 LEU A 93 1.332 6.925 -0.857 1.00 0.00 C ATOM 0 H LEU A 93 2.167 3.260 0.633 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.170 5.026 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.548 3.599 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.232 4.703 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 93 2.825 5.416 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.279 6.715 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.106 4.978 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.773 6.096 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.049 7.746 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.496 7.172 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.965 6.766 0.157 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.746 3.124 0.411 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.754 2.085 0.327 1.00 0.00 C ATOM 1369 C VAL A 94 -3.711 2.385 -0.815 1.00 0.00 C ATOM 1370 O VAL A 94 -4.397 3.409 -0.806 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.548 1.951 1.646 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.583 0.839 1.546 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.606 1.702 2.815 1.00 0.00 C ATOM 0 H VAL A 94 -2.034 3.951 0.934 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.242 1.140 0.144 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.074 2.889 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.129 0.764 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.280 1.062 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.082 -0.107 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.184 1.610 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.049 0.781 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.910 2.536 2.905 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.723 1.509 -1.806 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.611 1.666 -2.932 1.00 0.00 C ATOM 1385 C GLY A 95 -5.762 0.690 -2.874 1.00 0.00 C ATOM 1386 O GLY A 95 -5.560 -0.517 -2.964 1.00 0.00 O ATOM 0 H GLY A 95 -3.125 0.683 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.998 2.685 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.055 1.519 -3.858 1.00 0.00 H new ATOM 1390 N THR A 96 -6.967 1.211 -2.710 1.00 0.00 N ATOM 1391 CA THR A 96 -8.156 0.383 -2.605 1.00 0.00 C ATOM 1392 C THR A 96 -8.595 -0.165 -3.960 1.00 0.00 C ATOM 1393 O THR A 96 -9.337 -1.149 -4.036 1.00 0.00 O ATOM 1394 CB THR A 96 -9.299 1.177 -1.961 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.236 2.548 -2.379 1.00 0.00 O ATOM 1396 CG2 THR A 96 -9.210 1.098 -0.446 1.00 0.00 C ATOM 0 H THR A 96 -7.147 2.213 -2.646 1.00 0.00 H new ATOM 0 HA THR A 96 -7.905 -0.469 -1.973 1.00 0.00 H new ATOM 0 HB THR A 96 -10.248 0.745 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.394 2.603 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.028 1.666 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.280 0.057 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.258 1.514 -0.115 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.156 0.490 -5.025 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.384 -0.015 -6.365 1.00 0.00 C ATOM 1406 C GLY A 97 -9.768 0.296 -6.898 1.00 0.00 C ATOM 1407 O GLY A 97 -9.910 0.935 -7.944 1.00 0.00 O ATOM 0 H GLY A 97 -7.642 1.370 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.640 0.411 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.236 -1.095 -6.368 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.788 -0.161 -6.187 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.165 0.017 -6.624 1.00 0.00 C ATOM 1413 C ARG A 98 -12.665 1.415 -6.266 1.00 0.00 C ATOM 1414 O ARG A 98 -13.125 2.161 -7.133 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.061 -1.054 -5.996 1.00 0.00 C ATOM 1416 CG ARG A 98 -12.570 -2.475 -6.244 1.00 0.00 C ATOM 1417 CD ARG A 98 -13.548 -3.508 -5.712 1.00 0.00 C ATOM 1418 NE ARG A 98 -13.031 -4.874 -5.827 1.00 0.00 N ATOM 1419 CZ ARG A 98 -13.731 -5.892 -6.331 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -14.933 -5.686 -6.853 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -13.224 -7.120 -6.321 1.00 0.00 N ATOM 0 H ARG A 98 -10.688 -0.659 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.203 -0.090 -7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.123 -0.881 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.071 -0.952 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.425 -2.628 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.600 -2.613 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.768 -3.292 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.488 -3.430 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.081 -5.057 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.327 -4.745 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.463 -6.468 -7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.298 -7.286 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.761 -7.897 -6.707 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.573 1.761 -4.990 1.00 0.00 N ATOM 1436 CA ARG A 99 -12.929 3.093 -4.519 1.00 0.00 C ATOM 1437 C ARG A 99 -12.277 3.360 -3.170 1.00 0.00 C ATOM 1438 O ARG A 99 -12.158 2.448 -2.347 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.449 3.268 -4.418 1.00 0.00 C ATOM 1440 CG ARG A 99 -14.853 4.572 -3.747 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.344 4.832 -3.835 1.00 0.00 C ATOM 1442 NE ARG A 99 -16.754 5.898 -2.923 1.00 0.00 N ATOM 1443 CZ ARG A 99 -16.941 7.169 -3.280 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -16.718 7.559 -4.529 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -17.328 8.055 -2.371 1.00 0.00 N ATOM 0 H ARG A 99 -12.251 1.131 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.560 3.816 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.881 3.231 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.869 2.432 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.553 4.546 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.315 5.398 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.608 5.104 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.889 3.918 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.908 5.652 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.401 6.884 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.864 8.533 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.481 7.762 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.473 9.029 -2.637 1.00 0.00 H new ATOM 1459 N GLN A 100 -11.857 4.609 -2.968 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.177 5.029 -1.754 1.00 0.00 C ATOM 1461 C GLN A 100 -11.959 4.656 -0.500 1.00 0.00 C ATOM 1462 O GLN A 100 -13.060 5.159 -0.263 1.00 0.00 O ATOM 1463 CB GLN A 100 -10.959 6.540 -1.770 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.183 7.048 -2.972 1.00 0.00 C ATOM 1465 CD GLN A 100 -9.934 8.542 -2.907 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -10.712 9.290 -2.315 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -8.852 8.989 -3.525 1.00 0.00 N ATOM 0 H GLN A 100 -11.982 5.358 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.220 4.508 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.930 7.035 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.429 6.828 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.228 6.525 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.734 6.813 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.232 8.336 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.638 9.986 -3.522 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.384 3.771 0.291 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.934 3.435 1.594 1.00 0.00 C ATOM 1478 C HIS A 101 -11.206 4.255 2.650 1.00 0.00 C ATOM 1479 O HIS A 101 -10.016 4.051 2.891 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.791 1.927 1.865 1.00 0.00 C ATOM 1481 CG HIS A 101 -12.313 1.464 3.203 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.302 0.143 3.589 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -12.828 2.149 4.254 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -12.783 0.038 4.812 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -13.108 1.241 5.245 1.00 0.00 N ATOM 0 H HIS A 101 -10.530 3.267 0.053 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.998 3.671 1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.314 1.381 1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.737 1.659 1.791 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -11.973 -0.635 3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.989 3.216 4.303 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.893 -0.881 5.368 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.920 5.186 3.263 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.327 6.079 4.246 1.00 0.00 C ATOM 1496 C LEU A 102 -10.980 5.324 5.524 1.00 0.00 C ATOM 1497 O LEU A 102 -11.847 5.063 6.365 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.273 7.243 4.558 1.00 0.00 C ATOM 1499 CG LEU A 102 -12.687 8.090 3.351 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -13.592 9.230 3.786 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -11.460 8.629 2.628 1.00 0.00 C ATOM 0 H LEU A 102 -12.914 5.343 3.096 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.407 6.482 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.172 6.843 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.794 7.893 5.290 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.241 7.455 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.876 9.821 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.487 8.824 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.063 9.863 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.775 9.228 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.878 9.248 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.847 7.797 2.281 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.718 4.945 5.645 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.226 4.282 6.841 1.00 0.00 C ATOM 1515 C LEU A 103 -9.053 5.310 7.950 1.00 0.00 C ATOM 1516 O LEU A 103 -8.511 6.393 7.718 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.895 3.584 6.552 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.889 2.666 5.323 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -6.513 2.048 5.132 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.947 1.580 5.450 1.00 0.00 C ATOM 0 H LEU A 103 -9.011 5.087 4.923 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.946 3.527 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.126 4.345 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.615 2.996 7.426 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.127 3.269 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.524 1.399 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.776 2.838 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.251 1.463 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.922 0.943 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.746 0.979 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.931 2.040 5.538 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.517 4.985 9.144 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.486 5.945 10.226 1.00 0.00 C ATOM 1534 C GLY A 104 -8.420 5.636 11.250 1.00 0.00 C ATOM 1535 O GLY A 104 -7.748 4.605 11.156 1.00 0.00 O ATOM 0 H GLY A 104 -9.914 4.077 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.314 6.941 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.459 5.965 10.716 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.242 6.523 12.248 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.258 6.343 13.321 1.00 0.00 C ATOM 1541 C PRO A 105 -7.343 4.964 13.967 1.00 0.00 C ATOM 1542 O PRO A 105 -6.327 4.395 14.353 1.00 0.00 O ATOM 1543 CB PRO A 105 -7.631 7.429 14.328 1.00 0.00 C ATOM 1544 CG PRO A 105 -8.262 8.497 13.506 1.00 0.00 C ATOM 1545 CD PRO A 105 -8.985 7.789 12.394 1.00 0.00 C ATOM 0 HA PRO A 105 -6.235 6.417 12.951 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.319 7.050 15.084 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.752 7.801 14.855 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.952 9.093 14.103 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.511 9.180 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.031 7.613 12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.971 8.371 11.472 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.557 4.431 14.062 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.781 3.097 14.615 1.00 0.00 C ATOM 1555 C GLU A 106 -7.845 2.068 13.979 1.00 0.00 C ATOM 1556 O GLU A 106 -7.245 1.245 14.672 1.00 0.00 O ATOM 1557 CB GLU A 106 -10.237 2.680 14.392 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.540 1.249 14.809 1.00 0.00 C ATOM 1559 CD GLU A 106 -11.934 0.810 14.418 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -12.159 0.528 13.222 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -12.809 0.735 15.310 1.00 0.00 O ATOM 0 H GLU A 106 -9.408 4.906 13.761 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.570 3.134 15.684 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.887 3.355 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.481 2.800 13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.811 0.580 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.424 1.157 15.889 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.700 2.145 12.664 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.944 1.151 11.919 1.00 0.00 C ATOM 1570 C GLN A 107 -5.501 1.590 11.671 1.00 0.00 C ATOM 1571 O GLN A 107 -4.580 0.778 11.733 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.644 0.868 10.589 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.066 0.353 10.757 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.809 0.224 9.442 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.572 0.979 8.500 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.728 -0.726 9.374 1.00 0.00 N ATOM 0 H GLN A 107 -8.098 2.889 12.090 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.905 0.242 12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.663 1.781 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.063 0.135 10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.039 -0.619 11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.616 1.027 11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.895 -1.332 10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.269 -0.852 8.519 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.299 2.876 11.404 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.986 3.353 10.967 1.00 0.00 C ATOM 1587 C VAL A 108 -3.086 3.805 12.124 1.00 0.00 C ATOM 1588 O VAL A 108 -1.881 3.965 11.936 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.110 4.502 9.945 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.835 4.030 8.693 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.818 5.702 10.556 1.00 0.00 C ATOM 0 H VAL A 108 -6.014 3.600 11.480 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.514 2.491 10.495 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.104 4.813 9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.912 4.855 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.278 3.211 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.834 3.686 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.892 6.497 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.818 5.410 10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.252 6.060 11.416 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.656 3.999 13.313 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.883 4.490 14.464 1.00 0.00 C ATOM 1603 C ARG A 109 -1.686 3.581 14.792 1.00 0.00 C ATOM 1604 O ARG A 109 -0.597 4.093 15.054 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.781 4.666 15.698 1.00 0.00 C ATOM 1606 CG ARG A 109 -3.137 5.441 16.844 1.00 0.00 C ATOM 1607 CD ARG A 109 -2.307 4.545 17.751 1.00 0.00 C ATOM 1608 NE ARG A 109 -1.542 5.318 18.728 1.00 0.00 N ATOM 1609 CZ ARG A 109 -1.465 5.017 20.025 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -2.138 3.986 20.518 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -0.714 5.752 20.831 1.00 0.00 N ATOM 0 H ARG A 109 -4.642 3.827 13.508 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.484 5.464 14.183 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.694 5.179 15.397 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.074 3.681 16.062 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.503 6.229 16.436 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.914 5.929 17.432 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.963 3.848 18.273 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.625 3.948 17.146 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.035 6.139 18.397 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.720 3.416 19.904 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.073 3.763 21.511 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.195 6.548 20.460 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -0.655 5.522 21.823 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.854 2.233 14.810 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.734 1.304 15.027 1.00 0.00 C ATOM 1627 C PRO A 110 0.492 1.626 14.167 1.00 0.00 C ATOM 1628 O PRO A 110 1.629 1.400 14.583 1.00 0.00 O ATOM 1629 CB PRO A 110 -1.322 -0.048 14.628 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.769 0.069 14.944 1.00 0.00 C ATOM 1631 CD PRO A 110 -3.137 1.503 14.674 1.00 0.00 C ATOM 0 HA PRO A 110 -0.368 1.350 16.053 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.162 -0.254 13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.859 -0.862 15.185 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.359 -0.608 14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.964 -0.195 15.983 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.562 1.625 13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.880 1.865 15.385 1.00 0.00 H new ATOM 1639 N LEU A 111 0.258 2.159 12.972 1.00 0.00 N ATOM 1640 CA LEU A 111 1.344 2.527 12.074 1.00 0.00 C ATOM 1641 C LEU A 111 1.743 3.987 12.276 1.00 0.00 C ATOM 1642 O LEU A 111 2.923 4.333 12.197 1.00 0.00 O ATOM 1643 CB LEU A 111 0.940 2.286 10.619 1.00 0.00 C ATOM 1644 CG LEU A 111 0.649 0.827 10.259 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.234 0.712 8.803 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.866 -0.045 10.532 1.00 0.00 C ATOM 0 H LEU A 111 -0.675 2.345 12.604 1.00 0.00 H new ATOM 0 HA LEU A 111 2.204 1.900 12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.054 2.882 10.401 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.737 2.652 9.972 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.173 0.478 10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.031 -0.332 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.665 1.305 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.038 1.080 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.639 -1.078 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.706 0.305 9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.125 0.013 11.589 1.00 0.00 H new ATOM 1658 N LEU A 112 0.756 4.837 12.549 1.00 0.00 N ATOM 1659 CA LEU A 112 1.006 6.254 12.813 1.00 0.00 C ATOM 1660 C LEU A 112 1.948 6.424 13.999 1.00 0.00 C ATOM 1661 O LEU A 112 2.801 7.312 14.006 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.303 6.999 13.091 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.291 7.058 11.925 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.542 7.817 12.337 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.650 7.708 10.707 1.00 0.00 C ATOM 0 H LEU A 112 -0.227 4.569 12.594 1.00 0.00 H new ATOM 0 HA LEU A 112 1.471 6.677 11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.797 6.524 13.939 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.063 8.019 13.392 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.571 6.039 11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.238 7.853 11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.014 7.311 13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.272 8.832 12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.371 7.739 9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.340 8.723 10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.221 7.128 10.401 1.00 0.00 H new ATOM 1677 N ALA A 113 1.798 5.554 14.993 1.00 0.00 N ATOM 1678 CA ALA A 113 2.644 5.583 16.181 1.00 0.00 C ATOM 1679 C ALA A 113 4.108 5.331 15.822 1.00 0.00 C ATOM 1680 O ALA A 113 5.017 5.775 16.522 1.00 0.00 O ATOM 1681 CB ALA A 113 2.163 4.554 17.194 1.00 0.00 C ATOM 0 H ALA A 113 1.094 4.816 14.999 1.00 0.00 H new ATOM 0 HA ALA A 113 2.573 6.576 16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.802 4.585 18.076 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.136 4.779 17.482 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.205 3.559 16.750 1.00 0.00 H new ATOM 1687 N MET A 114 4.327 4.630 14.717 1.00 0.00 N ATOM 1688 CA MET A 114 5.677 4.314 14.265 1.00 0.00 C ATOM 1689 C MET A 114 6.223 5.430 13.380 1.00 0.00 C ATOM 1690 O MET A 114 7.417 5.476 13.087 1.00 0.00 O ATOM 1691 CB MET A 114 5.687 2.992 13.493 1.00 0.00 C ATOM 1692 CG MET A 114 5.248 1.795 14.319 1.00 0.00 C ATOM 1693 SD MET A 114 5.222 0.268 13.360 1.00 0.00 S ATOM 1694 CE MET A 114 4.708 -0.906 14.611 1.00 0.00 C ATOM 0 H MET A 114 3.586 4.269 14.116 1.00 0.00 H new ATOM 0 HA MET A 114 6.314 4.218 15.144 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.032 3.083 12.627 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.693 2.811 13.114 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.922 1.676 15.168 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.254 1.982 14.725 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.645 -1.902 14.172 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.435 -0.913 15.424 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.731 -0.619 15.000 1.00 0.00 H new ATOM 1704 N GLY A 115 5.341 6.332 12.971 1.00 0.00 N ATOM 1705 CA GLY A 115 5.736 7.416 12.094 1.00 0.00 C ATOM 1706 C GLY A 115 5.411 7.121 10.644 1.00 0.00 C ATOM 1707 O GLY A 115 5.906 7.793 9.738 1.00 0.00 O ATOM 0 H GLY A 115 4.355 6.332 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.230 8.332 12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.807 7.593 12.197 1.00 0.00 H new ATOM 1711 N VAL A 116 4.576 6.115 10.425 1.00 0.00 N ATOM 1712 CA VAL A 116 4.196 5.710 9.081 1.00 0.00 C ATOM 1713 C VAL A 116 2.997 6.520 8.593 1.00 0.00 C ATOM 1714 O VAL A 116 1.878 6.335 9.070 1.00 0.00 O ATOM 1715 CB VAL A 116 3.851 4.203 9.026 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.503 3.776 7.607 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.998 3.364 9.579 1.00 0.00 C ATOM 0 H VAL A 116 4.147 5.562 11.167 1.00 0.00 H new ATOM 0 HA VAL A 116 5.050 5.899 8.430 1.00 0.00 H new ATOM 0 HB VAL A 116 2.975 4.035 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.264 2.713 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.642 4.345 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.353 3.964 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.733 2.308 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.896 3.540 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.186 3.643 10.616 1.00 0.00 H new ATOM 1727 N GLY A 117 3.242 7.429 7.656 1.00 0.00 N ATOM 1728 CA GLY A 117 2.166 8.226 7.095 1.00 0.00 C ATOM 1729 C GLY A 117 1.375 7.448 6.063 1.00 0.00 C ATOM 1730 O GLY A 117 1.890 7.137 4.991 1.00 0.00 O ATOM 0 H GLY A 117 4.167 7.629 7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.500 8.553 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.579 9.124 6.636 1.00 0.00 H new ATOM 1734 N VAL A 118 0.132 7.124 6.384 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.689 6.292 5.514 1.00 0.00 C ATOM 1736 C VAL A 118 -1.591 7.139 4.618 1.00 0.00 C ATOM 1737 O VAL A 118 -2.362 7.969 5.101 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.560 5.317 6.337 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.367 4.404 5.425 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.698 4.498 7.287 1.00 0.00 C ATOM 0 H VAL A 118 -0.332 7.424 7.241 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.006 5.720 4.886 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.259 5.908 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.971 3.728 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.019 5.006 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.689 3.824 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.330 3.818 7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.029 3.923 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.175 5.166 7.971 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.479 6.925 3.314 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.340 7.585 2.341 1.00 0.00 C ATOM 1752 C GLU A 119 -3.412 6.621 1.848 1.00 0.00 C ATOM 1753 O GLU A 119 -3.105 5.499 1.439 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.522 8.085 1.148 1.00 0.00 C ATOM 1755 CG GLU A 119 -0.591 9.243 1.466 1.00 0.00 C ATOM 1756 CD GLU A 119 -1.334 10.512 1.830 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.133 11.002 1.000 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -1.096 11.046 2.933 1.00 0.00 O ATOM 0 H GLU A 119 -0.793 6.293 2.902 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.813 8.437 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.931 7.257 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.206 8.392 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.063 8.961 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.048 9.436 0.604 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.662 7.056 1.893 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.770 6.244 1.411 1.00 0.00 C ATOM 1767 C ALA A 120 -6.187 6.686 0.012 1.00 0.00 C ATOM 1768 O ALA A 120 -6.850 7.710 -0.155 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.947 6.325 2.373 1.00 0.00 C ATOM 0 H ALA A 120 -4.935 7.968 2.259 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.441 5.206 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.767 5.712 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.641 5.961 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.277 7.360 2.458 1.00 0.00 H new ATOM 1775 N MET A 121 -5.777 5.922 -0.988 1.00 0.00 N ATOM 1776 CA MET A 121 -6.065 6.245 -2.380 1.00 0.00 C ATOM 1777 C MET A 121 -6.400 4.972 -3.144 1.00 0.00 C ATOM 1778 O MET A 121 -6.559 3.915 -2.547 1.00 0.00 O ATOM 1779 CB MET A 121 -4.866 6.945 -3.034 1.00 0.00 C ATOM 1780 CG MET A 121 -4.536 8.304 -2.432 1.00 0.00 C ATOM 1781 SD MET A 121 -3.106 9.086 -3.210 1.00 0.00 S ATOM 1782 CE MET A 121 -1.820 7.894 -2.841 1.00 0.00 C ATOM 0 H MET A 121 -5.238 5.065 -0.861 1.00 0.00 H new ATOM 0 HA MET A 121 -6.919 6.922 -2.410 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.992 6.300 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.068 7.070 -4.098 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.401 8.960 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.345 8.187 -1.365 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.864 8.264 -3.212 1.00 0.00 H new ATOM 0 HE2 MET A 121 -1.759 7.747 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 121 -2.054 6.945 -3.324 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.522 5.075 -4.459 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.749 3.898 -5.288 1.00 0.00 C ATOM 1794 C ASP A 122 -5.480 3.528 -6.035 1.00 0.00 C ATOM 1795 O ASP A 122 -4.508 4.284 -6.017 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.898 4.120 -6.272 1.00 0.00 C ATOM 1797 CG ASP A 122 -9.245 4.137 -5.583 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.634 3.094 -5.014 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.909 5.193 -5.600 1.00 0.00 O ATOM 0 H ASP A 122 -6.468 5.954 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.028 3.075 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.748 5.064 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.887 3.332 -7.025 1.00 0.00 H new ATOM 1804 N THR A 123 -5.505 2.379 -6.701 1.00 0.00 N ATOM 1805 CA THR A 123 -4.331 1.825 -7.370 1.00 0.00 C ATOM 1806 C THR A 123 -3.668 2.834 -8.314 1.00 0.00 C ATOM 1807 O THR A 123 -2.455 3.041 -8.253 1.00 0.00 O ATOM 1808 CB THR A 123 -4.717 0.550 -8.150 1.00 0.00 C ATOM 1809 OG1 THR A 123 -5.288 -0.407 -7.247 1.00 0.00 O ATOM 1810 CG2 THR A 123 -3.515 -0.066 -8.852 1.00 0.00 C ATOM 0 H THR A 123 -6.342 1.803 -6.793 1.00 0.00 H new ATOM 0 HA THR A 123 -3.605 1.578 -6.595 1.00 0.00 H new ATOM 0 HB THR A 123 -5.444 0.829 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 123 -5.709 -1.129 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.827 -0.961 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.097 0.653 -9.556 1.00 0.00 H new ATOM 0 HG23 THR A 123 -2.759 -0.332 -8.113 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.466 3.477 -9.158 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.941 4.423 -10.141 1.00 0.00 C ATOM 1820 C GLN A 124 -3.254 5.611 -9.463 1.00 0.00 C ATOM 1821 O GLN A 124 -2.116 5.957 -9.792 1.00 0.00 O ATOM 1822 CB GLN A 124 -5.068 4.916 -11.049 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.591 5.797 -12.189 1.00 0.00 C ATOM 1824 CD GLN A 124 -5.724 6.270 -13.077 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -6.308 7.329 -12.850 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -6.046 5.487 -14.094 1.00 0.00 N ATOM 0 H GLN A 124 -5.479 3.362 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 124 -3.195 3.903 -10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.593 4.055 -11.462 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.789 5.471 -10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.070 6.663 -11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.869 5.245 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.537 4.616 -14.248 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -6.803 5.754 -14.724 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.945 6.219 -8.505 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.422 7.384 -7.798 1.00 0.00 C ATOM 1837 C ALA A 125 -2.205 7.016 -6.955 1.00 0.00 C ATOM 1838 O ALA A 125 -1.253 7.793 -6.838 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.507 7.999 -6.925 1.00 0.00 C ATOM 0 H ALA A 125 -4.872 5.924 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.106 8.118 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.105 8.867 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.345 8.307 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.849 7.263 -6.197 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.239 5.824 -6.372 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.135 5.343 -5.560 1.00 0.00 C ATOM 1847 C ALA A 126 0.097 5.095 -6.419 1.00 0.00 C ATOM 1848 O ALA A 126 1.212 5.400 -6.009 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.531 4.075 -4.816 1.00 0.00 C ATOM 0 H ALA A 126 -3.021 5.174 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.891 6.111 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.691 3.730 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.382 4.284 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.804 3.302 -5.534 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.118 4.563 -7.619 1.00 0.00 N ATOM 1856 CA ALA A 127 0.972 4.259 -8.539 1.00 0.00 C ATOM 1857 C ALA A 127 1.766 5.513 -8.896 1.00 0.00 C ATOM 1858 O ALA A 127 2.995 5.525 -8.800 1.00 0.00 O ATOM 1859 CB ALA A 127 0.433 3.596 -9.798 1.00 0.00 C ATOM 0 H ALA A 127 -1.044 4.332 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 127 1.649 3.567 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.258 3.375 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.076 2.670 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.270 4.268 -10.290 1.00 0.00 H new ATOM 1865 N ARG A 128 1.061 6.571 -9.293 1.00 0.00 N ATOM 1866 CA ARG A 128 1.712 7.825 -9.667 1.00 0.00 C ATOM 1867 C ARG A 128 2.519 8.392 -8.506 1.00 0.00 C ATOM 1868 O ARG A 128 3.683 8.765 -8.668 1.00 0.00 O ATOM 1869 CB ARG A 128 0.688 8.862 -10.129 1.00 0.00 C ATOM 1870 CG ARG A 128 0.061 8.548 -11.473 1.00 0.00 C ATOM 1871 CD ARG A 128 -0.739 9.728 -11.997 1.00 0.00 C ATOM 1872 NE ARG A 128 -1.263 9.475 -13.336 1.00 0.00 N ATOM 1873 CZ ARG A 128 -1.049 10.266 -14.385 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -0.319 11.367 -14.266 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -1.566 9.944 -15.561 1.00 0.00 N ATOM 0 H ARG A 128 0.044 6.585 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 128 2.388 7.603 -10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.100 8.939 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.172 9.837 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.841 8.288 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -0.589 7.678 -11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.565 9.938 -11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.107 10.616 -12.016 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.829 8.638 -13.477 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.086 11.616 -13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.162 11.965 -15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.123 9.095 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.407 10.545 -16.370 1.00 0.00 H new ATOM 1889 N THR A 129 1.896 8.441 -7.337 1.00 0.00 N ATOM 1890 CA THR A 129 2.535 8.981 -6.147 1.00 0.00 C ATOM 1891 C THR A 129 3.709 8.099 -5.714 1.00 0.00 C ATOM 1892 O THR A 129 4.746 8.596 -5.267 1.00 0.00 O ATOM 1893 CB THR A 129 1.513 9.104 -5.002 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.323 9.741 -5.494 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.080 9.913 -3.843 1.00 0.00 C ATOM 0 H THR A 129 0.943 8.111 -7.188 1.00 0.00 H new ATOM 0 HA THR A 129 2.919 9.973 -6.385 1.00 0.00 H new ATOM 0 HB THR A 129 1.281 8.103 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.246 9.076 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.336 9.983 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 129 2.974 9.422 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.336 10.914 -4.189 1.00 0.00 H new ATOM 1903 N TYR A 130 3.542 6.791 -5.874 1.00 0.00 N ATOM 1904 CA TYR A 130 4.593 5.832 -5.562 1.00 0.00 C ATOM 1905 C TYR A 130 5.825 6.095 -6.414 1.00 0.00 C ATOM 1906 O TYR A 130 6.944 6.114 -5.907 1.00 0.00 O ATOM 1907 CB TYR A 130 4.083 4.405 -5.780 1.00 0.00 C ATOM 1908 CG TYR A 130 5.152 3.339 -5.715 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.845 3.082 -4.538 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.456 2.579 -6.836 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.816 2.099 -4.484 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.423 1.599 -6.790 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.099 1.359 -5.614 1.00 0.00 C ATOM 1914 OH TYR A 130 8.060 0.378 -5.571 1.00 0.00 O ATOM 0 H TYR A 130 2.681 6.369 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 130 4.872 5.947 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.324 4.186 -5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.594 4.352 -6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.622 3.659 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.926 2.759 -7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.349 1.912 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.650 1.021 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 130 8.294 0.109 -6.484 1.00 0.00 H new ATOM 1924 N ASN A 131 5.612 6.316 -7.706 1.00 0.00 N ATOM 1925 CA ASN A 131 6.709 6.612 -8.619 1.00 0.00 C ATOM 1926 C ASN A 131 7.465 7.856 -8.170 1.00 0.00 C ATOM 1927 O ASN A 131 8.692 7.891 -8.219 1.00 0.00 O ATOM 1928 CB ASN A 131 6.199 6.798 -10.051 1.00 0.00 C ATOM 1929 CG ASN A 131 5.674 5.514 -10.669 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.241 4.382 -10.273 1.00 0.00 O flip ATOM 1931 ND2 ASN A 131 4.768 5.537 -11.501 1.00 0.00 N flip ATOM 0 H ASN A 131 4.691 6.296 -8.144 1.00 0.00 H new ATOM 0 HA ASN A 131 7.391 5.762 -8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.406 7.546 -10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.007 7.188 -10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.356 6.427 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.429 4.666 -11.910 1.00 0.00 H new ATOM 1938 N ILE A 132 6.727 8.863 -7.709 1.00 0.00 N ATOM 1939 CA ILE A 132 7.333 10.102 -7.229 1.00 0.00 C ATOM 1940 C ILE A 132 8.230 9.833 -6.025 1.00 0.00 C ATOM 1941 O ILE A 132 9.411 10.174 -6.028 1.00 0.00 O ATOM 1942 CB ILE A 132 6.262 11.140 -6.825 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.333 11.442 -8.002 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.923 12.420 -6.327 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.193 12.373 -7.649 1.00 0.00 C ATOM 0 H ILE A 132 5.708 8.845 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 132 7.925 10.504 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 132 5.665 10.720 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.916 11.884 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.923 10.506 -8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.155 13.141 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.544 12.195 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.544 12.841 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.575 12.543 -8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.587 11.924 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.595 13.324 -7.299 1.00 0.00 H new ATOM 1957 N LEU A 133 7.661 9.198 -5.009 1.00 0.00 N ATOM 1958 CA LEU A 133 8.371 8.941 -3.762 1.00 0.00 C ATOM 1959 C LEU A 133 9.518 7.953 -3.968 1.00 0.00 C ATOM 1960 O LEU A 133 10.553 8.037 -3.302 1.00 0.00 O ATOM 1961 CB LEU A 133 7.390 8.418 -2.713 1.00 0.00 C ATOM 1962 CG LEU A 133 6.227 9.364 -2.402 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.210 8.685 -1.500 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.739 10.644 -1.757 1.00 0.00 C ATOM 0 H LEU A 133 6.703 8.849 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 133 8.806 9.877 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.985 7.466 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.936 8.219 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 133 5.735 9.622 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.392 9.374 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.819 7.797 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.689 8.396 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.899 11.305 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.256 10.402 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.429 11.143 -2.437 1.00 0.00 H new ATOM 1976 N MET A 134 9.336 7.026 -4.899 1.00 0.00 N ATOM 1977 CA MET A 134 10.374 6.058 -5.224 1.00 0.00 C ATOM 1978 C MET A 134 11.506 6.732 -5.997 1.00 0.00 C ATOM 1979 O MET A 134 12.678 6.405 -5.808 1.00 0.00 O ATOM 1980 CB MET A 134 9.792 4.899 -6.034 1.00 0.00 C ATOM 1981 CG MET A 134 10.798 3.803 -6.336 1.00 0.00 C ATOM 1982 SD MET A 134 10.082 2.436 -7.264 1.00 0.00 S ATOM 1983 CE MET A 134 9.527 3.275 -8.746 1.00 0.00 C ATOM 0 H MET A 134 8.479 6.924 -5.442 1.00 0.00 H new ATOM 0 HA MET A 134 10.778 5.659 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 134 8.953 4.470 -5.487 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.396 5.286 -6.973 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.629 4.225 -6.902 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.209 3.425 -5.400 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.455 3.124 -8.870 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.736 4.341 -8.660 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.052 2.871 -9.611 1.00 0.00 H new ATOM 1993 N ALA A 135 11.149 7.677 -6.865 1.00 0.00 N ATOM 1994 CA ALA A 135 12.142 8.463 -7.590 1.00 0.00 C ATOM 1995 C ALA A 135 12.881 9.385 -6.630 1.00 0.00 C ATOM 1996 O ALA A 135 14.092 9.570 -6.738 1.00 0.00 O ATOM 1997 CB ALA A 135 11.486 9.266 -8.705 1.00 0.00 C ATOM 0 H ALA A 135 10.181 7.916 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 135 12.861 7.781 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.245 9.844 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 135 10.997 8.587 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.745 9.943 -8.279 1.00 0.00 H new ATOM 2003 N GLU A 136 12.136 9.951 -5.688 1.00 0.00 N ATOM 2004 CA GLU A 136 12.709 10.753 -4.613 1.00 0.00 C ATOM 2005 C GLU A 136 13.712 9.926 -3.811 1.00 0.00 C ATOM 2006 O GLU A 136 14.754 10.427 -3.387 1.00 0.00 O ATOM 2007 CB GLU A 136 11.576 11.275 -3.715 1.00 0.00 C ATOM 2008 CG GLU A 136 12.029 11.910 -2.407 1.00 0.00 C ATOM 2009 CD GLU A 136 12.970 13.082 -2.597 1.00 0.00 C ATOM 2010 OE1 GLU A 136 12.744 13.900 -3.510 1.00 0.00 O ATOM 2011 OE2 GLU A 136 13.934 13.199 -1.812 1.00 0.00 O ATOM 0 H GLU A 136 11.120 9.868 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 136 13.245 11.604 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.998 12.009 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.904 10.448 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.152 12.245 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 136 12.523 11.153 -1.797 1.00 0.00 H new ATOM 2018 N GLY A 137 13.399 8.652 -3.632 1.00 0.00 N ATOM 2019 CA GLY A 137 14.277 7.768 -2.896 1.00 0.00 C ATOM 2020 C GLY A 137 13.962 7.779 -1.421 1.00 0.00 C ATOM 2021 O GLY A 137 14.862 7.810 -0.581 1.00 0.00 O ATOM 0 H GLY A 137 12.549 8.213 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.181 6.753 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.313 8.071 -3.050 1.00 0.00 H new ATOM 2025 N ARG A 138 12.676 7.772 -1.112 1.00 0.00 N ATOM 2026 CA ARG A 138 12.212 7.806 0.263 1.00 0.00 C ATOM 2027 C ARG A 138 11.562 6.470 0.607 1.00 0.00 C ATOM 2028 O ARG A 138 11.088 5.769 -0.288 1.00 0.00 O ATOM 2029 CB ARG A 138 11.217 8.960 0.436 1.00 0.00 C ATOM 2030 CG ARG A 138 10.903 9.307 1.881 1.00 0.00 C ATOM 2031 CD ARG A 138 9.992 10.522 1.968 1.00 0.00 C ATOM 2032 NE ARG A 138 9.809 10.969 3.347 1.00 0.00 N ATOM 2033 CZ ARG A 138 9.257 12.130 3.696 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.807 12.972 2.772 1.00 0.00 N ATOM 2035 NH2 ARG A 138 9.156 12.443 4.980 1.00 0.00 N ATOM 0 H ARG A 138 11.928 7.743 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 138 13.051 7.969 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.617 9.845 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.288 8.702 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.426 8.456 2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.829 9.504 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.413 11.335 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.022 10.280 1.533 1.00 0.00 H new ATOM 0 HE ARG A 138 10.125 10.350 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.882 12.732 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.386 13.858 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.499 11.797 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.735 13.330 5.257 1.00 0.00 H new ATOM 2049 N ARG A 139 11.567 6.104 1.885 1.00 0.00 N ATOM 2050 CA ARG A 139 10.946 4.856 2.323 1.00 0.00 C ATOM 2051 C ARG A 139 9.444 4.867 2.071 1.00 0.00 C ATOM 2052 O ARG A 139 8.671 5.420 2.855 1.00 0.00 O ATOM 2053 CB ARG A 139 11.230 4.594 3.805 1.00 0.00 C ATOM 2054 CG ARG A 139 12.621 4.048 4.063 1.00 0.00 C ATOM 2055 CD ARG A 139 12.782 2.658 3.470 1.00 0.00 C ATOM 2056 NE ARG A 139 14.168 2.200 3.510 1.00 0.00 N ATOM 2057 CZ ARG A 139 14.535 0.923 3.429 1.00 0.00 C ATOM 2058 NH1 ARG A 139 13.617 -0.035 3.421 1.00 0.00 N ATOM 2059 NH2 ARG A 139 15.820 0.606 3.379 1.00 0.00 N ATOM 0 H ARG A 139 11.992 6.651 2.634 1.00 0.00 H new ATOM 0 HA ARG A 139 11.385 4.049 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.103 5.523 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.493 3.889 4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.364 4.719 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.808 4.013 5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.153 1.956 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.432 2.662 2.438 1.00 0.00 H new ATOM 0 HE ARG A 139 14.901 2.903 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 139 12.628 0.206 3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 139 13.901 -1.013 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 139 16.528 1.340 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 139 16.102 -0.372 3.317 1.00 0.00 H new ATOM 2073 N VAL A 140 9.042 4.259 0.969 1.00 0.00 N ATOM 2074 CA VAL A 140 7.644 4.196 0.594 1.00 0.00 C ATOM 2075 C VAL A 140 7.261 2.770 0.219 1.00 0.00 C ATOM 2076 O VAL A 140 8.016 2.074 -0.459 1.00 0.00 O ATOM 2077 CB VAL A 140 7.329 5.153 -0.583 1.00 0.00 C ATOM 2078 CG1 VAL A 140 8.200 4.844 -1.795 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.855 5.091 -0.956 1.00 0.00 C ATOM 0 H VAL A 140 9.673 3.798 0.313 1.00 0.00 H new ATOM 0 HA VAL A 140 7.056 4.513 1.455 1.00 0.00 H new ATOM 0 HB VAL A 140 7.557 6.166 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.955 5.532 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 140 9.250 4.958 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 140 8.018 3.820 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.660 5.772 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.597 4.075 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.250 5.382 -0.097 1.00 0.00 H new ATOM 2089 N VAL A 141 6.110 2.332 0.698 1.00 0.00 N ATOM 2090 CA VAL A 141 5.572 1.032 0.334 1.00 0.00 C ATOM 2091 C VAL A 141 4.180 1.222 -0.246 1.00 0.00 C ATOM 2092 O VAL A 141 3.373 1.967 0.312 1.00 0.00 O ATOM 2093 CB VAL A 141 5.494 0.073 1.545 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.057 -1.315 1.102 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.826 0.007 2.280 1.00 0.00 C ATOM 0 H VAL A 141 5.526 2.862 1.345 1.00 0.00 H new ATOM 0 HA VAL A 141 6.242 0.583 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 141 4.748 0.466 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 141 5.008 -1.975 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 141 4.074 -1.255 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.776 -1.711 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.741 -0.675 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.599 -0.352 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.093 1.001 2.640 1.00 0.00 H new ATOM 2105 N VAL A 142 3.900 0.577 -1.365 1.00 0.00 N ATOM 2106 CA VAL A 142 2.611 0.734 -2.014 1.00 0.00 C ATOM 2107 C VAL A 142 1.843 -0.587 -2.037 1.00 0.00 C ATOM 2108 O VAL A 142 2.382 -1.633 -2.399 1.00 0.00 O ATOM 2109 CB VAL A 142 2.762 1.296 -3.450 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.493 0.319 -4.359 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.407 1.665 -4.032 1.00 0.00 C ATOM 0 H VAL A 142 4.543 -0.056 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 142 2.040 1.455 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 142 3.366 2.201 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.580 0.747 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.488 0.125 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.935 -0.616 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.539 2.057 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.773 0.779 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.937 2.424 -3.406 1.00 0.00 H new ATOM 2121 N ALA A 143 0.590 -0.530 -1.614 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.283 -1.690 -1.628 1.00 0.00 C ATOM 2123 C ALA A 143 -1.377 -1.500 -2.667 1.00 0.00 C ATOM 2124 O ALA A 143 -2.231 -0.630 -2.521 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.888 -1.917 -0.250 1.00 0.00 C ATOM 0 H ALA A 143 0.152 0.318 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 143 0.303 -2.571 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.540 -2.790 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.091 -2.082 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.467 -1.041 0.042 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.335 -2.299 -3.717 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.283 -2.168 -4.813 1.00 0.00 C ATOM 2133 C LEU A 144 -3.347 -3.256 -4.731 1.00 0.00 C ATOM 2134 O LEU A 144 -3.044 -4.409 -4.422 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.551 -2.234 -6.155 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.442 -1.194 -6.341 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.211 -1.343 -7.706 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -0.990 0.216 -6.162 1.00 0.00 C ATOM 0 H LEU A 144 -0.653 -3.048 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.777 -1.200 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.118 -3.228 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.280 -2.112 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 144 0.316 -1.366 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.996 -0.595 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.644 -2.339 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.538 -1.202 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.186 0.939 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.771 0.399 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.406 0.320 -5.160 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.588 -2.881 -5.011 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.722 -3.784 -4.857 1.00 0.00 C ATOM 2152 C LEU A 145 -6.470 -3.923 -6.186 1.00 0.00 C ATOM 2153 O LEU A 145 -6.739 -2.923 -6.858 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.652 -3.227 -3.767 1.00 0.00 C ATOM 2155 CG LEU A 145 -7.446 -4.247 -2.941 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -8.004 -3.578 -1.694 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -8.582 -4.850 -3.750 1.00 0.00 C ATOM 0 H LEU A 145 -4.836 -1.951 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.372 -4.773 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -6.051 -2.630 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.362 -2.549 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 145 -6.768 -5.051 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.567 -4.307 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.183 -3.188 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.662 -2.759 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.125 -5.569 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -9.261 -4.059 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -8.176 -5.355 -4.626 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.782 -5.167 -6.595 1.00 0.00 N ATOM 2170 CA PRO A 146 -7.567 -5.438 -7.807 1.00 0.00 C ATOM 2171 C PRO A 146 -8.889 -4.675 -7.821 1.00 0.00 C ATOM 2172 O PRO A 146 -9.624 -4.654 -6.831 1.00 0.00 O ATOM 2173 CB PRO A 146 -7.819 -6.942 -7.739 1.00 0.00 C ATOM 2174 CG PRO A 146 -6.697 -7.476 -6.925 1.00 0.00 C ATOM 2175 CD PRO A 146 -6.378 -6.409 -5.917 1.00 0.00 C ATOM 0 HA PRO A 146 -7.045 -5.122 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -8.782 -7.162 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -7.833 -7.387 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -6.979 -8.407 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -5.831 -7.695 -7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.928 -6.557 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -5.318 -6.401 -5.662 1.00 0.00 H new