USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 THR OG1 : rot -90:sc= -1.15 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.0285 K(o=-1.2,f=-2.1) USER MOD Set 2.1: A 58 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.58) USER MOD Set 2.2: A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 HIS : no HD1:sc= 0.887 K(o=2,f=-2.4) USER MOD Set 3.2: A 43 SER OG : rot -124:sc= 1.08 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 130 TYR OH : rot 127:sc= 0.194 USER MOD Set 4.3: A 131 ASN : amide:sc= -0.673 K(o=-0.75,f=-2.8!) USER MOD Set 4.4: A 134 MET CE :methyl -147:sc= -0.27 (180deg=-0.708) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.741 USER MOD Single : A 17 TYR OH : rot -15:sc= 0 USER MOD Single : A 21 TYR OH : rot -112:sc= 0.758 USER MOD Single : A 25 ASN : amide:sc= -0.252 K(o=-0.25,f=-1) USER MOD Single : A 26 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 101 HIS : no HE2:sc= 0.136 K(o=0.14,f=-2.9!) USER MOD Single : A 107 GLN : amide:sc= -0.484 K(o=-0.48,f=-4.3!) USER MOD Single : A 121 MET CE :methyl -168:sc= -0.282 (180deg=-0.751) USER MOD Single : A 123 THR OG1 : rot 170:sc= -3.04! USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 129 THR OG1 : rot 77:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.933 -1.220 -8.655 1.00 0.00 N ATOM 154 CA LEU A 11 13.636 -0.599 -8.426 1.00 0.00 C ATOM 155 C LEU A 11 12.524 -1.367 -9.132 1.00 0.00 C ATOM 156 O LEU A 11 12.522 -1.492 -10.355 1.00 0.00 O ATOM 157 CB LEU A 11 13.654 0.853 -8.909 1.00 0.00 C ATOM 158 CG LEU A 11 14.694 1.753 -8.236 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.638 3.157 -8.815 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.478 1.790 -6.730 1.00 0.00 C ATOM 0 HA LEU A 11 13.438 -0.620 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.834 0.859 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.666 1.284 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 11 15.683 1.338 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.384 3.783 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.843 3.118 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.646 3.579 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.227 2.435 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.483 2.179 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.569 0.782 -6.325 1.00 0.00 H new ATOM 172 N ASN A 12 11.589 -1.893 -8.353 1.00 0.00 N ATOM 173 CA ASN A 12 10.432 -2.588 -8.907 1.00 0.00 C ATOM 174 C ASN A 12 9.311 -1.597 -9.189 1.00 0.00 C ATOM 175 O ASN A 12 8.761 -0.985 -8.272 1.00 0.00 O ATOM 176 CB ASN A 12 9.942 -3.685 -7.955 1.00 0.00 C ATOM 177 CG ASN A 12 10.782 -4.954 -8.011 1.00 0.00 C ATOM 178 OD1 ASN A 12 12.066 -4.819 -8.310 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 10.277 -6.053 -7.779 1.00 0.00 N flip ATOM 0 H ASN A 12 11.608 -1.852 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 12 10.733 -3.060 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.947 -3.300 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.908 -3.931 -8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.285 -6.121 -7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.851 -6.896 -7.814 1.00 0.00 H new ATOM 186 N THR A 13 8.995 -1.427 -10.463 1.00 0.00 N ATOM 187 CA THR A 13 7.962 -0.496 -10.882 1.00 0.00 C ATOM 188 C THR A 13 6.807 -1.238 -11.548 1.00 0.00 C ATOM 189 O THR A 13 7.025 -2.231 -12.250 1.00 0.00 O ATOM 190 CB THR A 13 8.538 0.536 -11.876 1.00 0.00 C ATOM 191 OG1 THR A 13 9.749 1.089 -11.351 1.00 0.00 O ATOM 192 CG2 THR A 13 7.547 1.658 -12.149 1.00 0.00 C ATOM 0 H THR A 13 9.444 -1.927 -11.230 1.00 0.00 H new ATOM 0 HA THR A 13 7.595 0.019 -9.994 1.00 0.00 H new ATOM 0 HB THR A 13 8.739 0.021 -12.815 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.112 1.742 -11.985 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.984 2.367 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.634 1.241 -12.574 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.312 2.171 -11.216 1.00 0.00 H new ATOM 200 N VAL A 14 5.584 -0.773 -11.312 1.00 0.00 N ATOM 201 CA VAL A 14 4.419 -1.319 -11.994 1.00 0.00 C ATOM 202 C VAL A 14 4.573 -1.110 -13.496 1.00 0.00 C ATOM 203 O VAL A 14 4.621 0.024 -13.973 1.00 0.00 O ATOM 204 CB VAL A 14 3.106 -0.663 -11.513 1.00 0.00 C ATOM 205 CG1 VAL A 14 1.903 -1.282 -12.216 1.00 0.00 C ATOM 206 CG2 VAL A 14 2.966 -0.786 -10.002 1.00 0.00 C ATOM 0 H VAL A 14 5.376 -0.021 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 14 4.361 -2.382 -11.761 1.00 0.00 H new ATOM 0 HB VAL A 14 3.142 0.396 -11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.989 -0.805 -11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.995 -1.135 -13.292 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.863 -2.349 -11.997 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.035 -0.318 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.957 -1.839 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.806 -0.289 -9.517 1.00 0.00 H new ATOM 216 N THR A 15 4.673 -2.207 -14.223 1.00 0.00 N ATOM 217 CA THR A 15 4.979 -2.159 -15.639 1.00 0.00 C ATOM 218 C THR A 15 3.709 -2.002 -16.472 1.00 0.00 C ATOM 219 O THR A 15 3.649 -1.169 -17.377 1.00 0.00 O ATOM 220 CB THR A 15 5.738 -3.431 -16.061 1.00 0.00 C ATOM 221 OG1 THR A 15 6.716 -3.755 -15.056 1.00 0.00 O ATOM 222 CG2 THR A 15 6.434 -3.231 -17.397 1.00 0.00 C ATOM 0 H THR A 15 4.546 -3.149 -13.852 1.00 0.00 H new ATOM 0 HA THR A 15 5.611 -1.290 -15.820 1.00 0.00 H new ATOM 0 HB THR A 15 5.021 -4.245 -16.165 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.541 -4.060 -15.489 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.963 -4.144 -17.672 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.693 -2.996 -18.161 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.146 -2.410 -17.317 1.00 0.00 H new ATOM 230 N ALA A 16 2.693 -2.793 -16.152 1.00 0.00 N ATOM 231 CA ALA A 16 1.427 -2.732 -16.867 1.00 0.00 C ATOM 232 C ALA A 16 0.274 -3.131 -15.956 1.00 0.00 C ATOM 233 O ALA A 16 0.386 -4.073 -15.171 1.00 0.00 O ATOM 234 CB ALA A 16 1.468 -3.626 -18.095 1.00 0.00 C ATOM 0 H ALA A 16 2.722 -3.484 -15.402 1.00 0.00 H new ATOM 0 HA ALA A 16 1.266 -1.704 -17.191 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.514 -3.569 -18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.267 -3.295 -18.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.653 -4.656 -17.789 1.00 0.00 H new ATOM 240 N TYR A 17 -0.828 -2.406 -16.057 1.00 0.00 N ATOM 241 CA TYR A 17 -2.001 -2.675 -15.241 1.00 0.00 C ATOM 242 C TYR A 17 -3.250 -2.126 -15.920 1.00 0.00 C ATOM 243 O TYR A 17 -3.472 -0.916 -15.950 1.00 0.00 O ATOM 244 CB TYR A 17 -1.825 -2.060 -13.847 1.00 0.00 C ATOM 245 CG TYR A 17 -3.040 -2.180 -12.953 1.00 0.00 C ATOM 246 CD1 TYR A 17 -3.622 -3.413 -12.690 1.00 0.00 C ATOM 247 CD2 TYR A 17 -3.598 -1.052 -12.368 1.00 0.00 C ATOM 248 CE1 TYR A 17 -4.728 -3.518 -11.870 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.703 -1.148 -11.546 1.00 0.00 C ATOM 250 CZ TYR A 17 -5.265 -2.384 -11.300 1.00 0.00 C ATOM 251 OH TYR A 17 -6.369 -2.487 -10.482 1.00 0.00 O ATOM 0 H TYR A 17 -0.935 -1.622 -16.700 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.117 -3.753 -15.129 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.979 -2.540 -13.356 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.573 -1.005 -13.958 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.203 -4.304 -13.134 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.161 -0.083 -12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.170 -4.484 -11.676 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.125 -0.261 -11.098 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.783 -3.367 -10.600 1.00 0.00 H new ATOM 261 N GLY A 18 -4.041 -3.020 -16.493 1.00 0.00 N ATOM 262 CA GLY A 18 -5.267 -2.612 -17.153 1.00 0.00 C ATOM 263 C GLY A 18 -6.194 -3.775 -17.443 1.00 0.00 C ATOM 264 O GLY A 18 -7.413 -3.608 -17.483 1.00 0.00 O ATOM 0 H GLY A 18 -3.857 -4.023 -16.514 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.787 -1.887 -16.527 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.021 -2.108 -18.088 1.00 0.00 H new ATOM 268 N ASP A 19 -5.625 -4.957 -17.653 1.00 0.00 N ATOM 269 CA ASP A 19 -6.412 -6.141 -17.963 1.00 0.00 C ATOM 270 C ASP A 19 -7.144 -6.649 -16.730 1.00 0.00 C ATOM 271 O ASP A 19 -8.211 -7.251 -16.830 1.00 0.00 O ATOM 272 CB ASP A 19 -5.512 -7.251 -18.495 1.00 0.00 C ATOM 273 CG ASP A 19 -4.766 -6.871 -19.755 1.00 0.00 C ATOM 274 OD1 ASP A 19 -5.382 -6.890 -20.840 1.00 0.00 O ATOM 275 OD2 ASP A 19 -3.554 -6.580 -19.664 1.00 0.00 O ATOM 0 H ASP A 19 -4.619 -5.119 -17.614 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.143 -5.862 -18.722 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.792 -7.525 -17.724 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.118 -8.135 -18.693 1.00 0.00 H new ATOM 280 N GLY A 20 -6.558 -6.408 -15.566 1.00 0.00 N ATOM 281 CA GLY A 20 -7.113 -6.920 -14.331 1.00 0.00 C ATOM 282 C GLY A 20 -6.039 -7.509 -13.444 1.00 0.00 C ATOM 283 O GLY A 20 -6.267 -7.783 -12.269 1.00 0.00 O ATOM 0 H GLY A 20 -5.703 -5.863 -15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.625 -6.117 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.860 -7.682 -14.555 1.00 0.00 H new ATOM 287 N TYR A 21 -4.862 -7.699 -14.018 1.00 0.00 N ATOM 288 CA TYR A 21 -3.715 -8.189 -13.271 1.00 0.00 C ATOM 289 C TYR A 21 -2.674 -7.085 -13.164 1.00 0.00 C ATOM 290 O TYR A 21 -2.631 -6.183 -14.003 1.00 0.00 O ATOM 291 CB TYR A 21 -3.105 -9.425 -13.950 1.00 0.00 C ATOM 292 CG TYR A 21 -2.658 -9.187 -15.378 1.00 0.00 C ATOM 293 CD1 TYR A 21 -1.434 -8.585 -15.657 1.00 0.00 C ATOM 294 CD2 TYR A 21 -3.465 -9.550 -16.445 1.00 0.00 C ATOM 295 CE1 TYR A 21 -1.035 -8.349 -16.958 1.00 0.00 C ATOM 296 CE2 TYR A 21 -3.070 -9.323 -17.750 1.00 0.00 C ATOM 297 CZ TYR A 21 -1.856 -8.721 -17.999 1.00 0.00 C ATOM 298 OH TYR A 21 -1.472 -8.470 -19.297 1.00 0.00 O ATOM 0 H TYR A 21 -4.675 -7.520 -15.005 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.044 -8.480 -12.274 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.250 -9.764 -13.364 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.838 -10.231 -13.939 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.786 -8.298 -14.842 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.419 -10.018 -16.253 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.085 -7.876 -17.158 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.709 -9.616 -18.570 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.060 -7.790 -19.686 1.00 0.00 H new ATOM 308 N ILE A 22 -1.846 -7.157 -12.140 1.00 0.00 N ATOM 309 CA ILE A 22 -0.787 -6.180 -11.958 1.00 0.00 C ATOM 310 C ILE A 22 0.534 -6.759 -12.441 1.00 0.00 C ATOM 311 O ILE A 22 1.063 -7.699 -11.848 1.00 0.00 O ATOM 312 CB ILE A 22 -0.655 -5.748 -10.482 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.014 -5.294 -9.936 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.377 -4.632 -10.348 1.00 0.00 C ATOM 315 CD1 ILE A 22 -1.990 -4.918 -8.471 1.00 0.00 C ATOM 0 H ILE A 22 -1.885 -7.880 -11.422 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.044 -5.297 -12.544 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.317 -6.603 -9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.360 -4.438 -10.515 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.740 -6.094 -10.084 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.460 -4.337 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.345 -4.987 -10.703 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.064 -3.774 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.987 -4.608 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.676 -5.778 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.290 -4.097 -8.318 1.00 0.00 H new ATOM 327 N GLU A 23 1.052 -6.218 -13.531 1.00 0.00 N ATOM 328 CA GLU A 23 2.295 -6.705 -14.099 1.00 0.00 C ATOM 329 C GLU A 23 3.470 -5.891 -13.579 1.00 0.00 C ATOM 330 O GLU A 23 3.593 -4.697 -13.865 1.00 0.00 O ATOM 331 CB GLU A 23 2.249 -6.651 -15.627 1.00 0.00 C ATOM 332 CG GLU A 23 3.498 -7.204 -16.292 1.00 0.00 C ATOM 333 CD GLU A 23 3.442 -7.136 -17.805 1.00 0.00 C ATOM 334 OE1 GLU A 23 2.365 -6.809 -18.352 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.467 -7.426 -18.448 1.00 0.00 O ATOM 0 H GLU A 23 0.630 -5.441 -14.039 1.00 0.00 H new ATOM 0 HA GLU A 23 2.426 -7.743 -13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.382 -7.212 -15.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.107 -5.617 -15.942 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.367 -6.648 -15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.638 -8.241 -15.985 1.00 0.00 H new ATOM 342 N VAL A 24 4.314 -6.538 -12.797 1.00 0.00 N ATOM 343 CA VAL A 24 5.514 -5.911 -12.274 1.00 0.00 C ATOM 344 C VAL A 24 6.734 -6.705 -12.715 1.00 0.00 C ATOM 345 O VAL A 24 6.924 -7.844 -12.288 1.00 0.00 O ATOM 346 CB VAL A 24 5.489 -5.817 -10.731 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.742 -5.132 -10.207 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.244 -5.083 -10.255 1.00 0.00 C ATOM 0 H VAL A 24 4.188 -7.508 -12.507 1.00 0.00 H new ATOM 0 HA VAL A 24 5.560 -4.896 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 24 5.464 -6.832 -10.334 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.700 -5.079 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.621 -5.702 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.804 -4.124 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.248 -5.029 -9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.236 -4.075 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.356 -5.619 -10.589 1.00 0.00 H new ATOM 358 N ASN A 25 7.527 -6.112 -13.604 1.00 0.00 N ATOM 359 CA ASN A 25 8.740 -6.749 -14.117 1.00 0.00 C ATOM 360 C ASN A 25 8.378 -8.030 -14.873 1.00 0.00 C ATOM 361 O ASN A 25 8.991 -9.082 -14.679 1.00 0.00 O ATOM 362 CB ASN A 25 9.724 -7.047 -12.973 1.00 0.00 C ATOM 363 CG ASN A 25 11.086 -7.512 -13.465 1.00 0.00 C ATOM 364 OD1 ASN A 25 11.545 -7.116 -14.537 1.00 0.00 O ATOM 365 ND2 ASN A 25 11.739 -8.358 -12.684 1.00 0.00 N ATOM 0 H ASN A 25 7.350 -5.184 -13.987 1.00 0.00 H new ATOM 0 HA ASN A 25 9.230 -6.064 -14.809 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.850 -6.150 -12.367 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.297 -7.812 -12.325 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.656 -8.705 -12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.325 -8.662 -11.803 1.00 0.00 H new ATOM 372 N GLN A 26 7.348 -7.920 -15.719 1.00 0.00 N ATOM 373 CA GLN A 26 6.890 -9.018 -16.583 1.00 0.00 C ATOM 374 C GLN A 26 6.147 -10.098 -15.794 1.00 0.00 C ATOM 375 O GLN A 26 5.595 -11.034 -16.377 1.00 0.00 O ATOM 376 CB GLN A 26 8.061 -9.631 -17.359 1.00 0.00 C ATOM 377 CG GLN A 26 8.732 -8.650 -18.306 1.00 0.00 C ATOM 378 CD GLN A 26 10.047 -9.166 -18.853 1.00 0.00 C ATOM 379 OE1 GLN A 26 10.752 -9.932 -18.196 1.00 0.00 O ATOM 380 NE2 GLN A 26 10.386 -8.745 -20.059 1.00 0.00 N ATOM 0 H GLN A 26 6.805 -7.063 -15.825 1.00 0.00 H new ATOM 0 HA GLN A 26 6.186 -8.589 -17.296 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.800 -10.006 -16.651 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.702 -10.488 -17.929 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.058 -8.435 -19.136 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.905 -7.709 -17.784 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.772 -8.110 -20.569 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.262 -9.055 -20.480 1.00 0.00 H new ATOM 389 N VAL A 27 6.128 -9.970 -14.473 1.00 0.00 N ATOM 390 CA VAL A 27 5.402 -10.909 -13.632 1.00 0.00 C ATOM 391 C VAL A 27 3.967 -10.434 -13.450 1.00 0.00 C ATOM 392 O VAL A 27 3.721 -9.356 -12.910 1.00 0.00 O ATOM 393 CB VAL A 27 6.064 -11.083 -12.249 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.355 -12.167 -11.450 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.544 -11.404 -12.397 1.00 0.00 C ATOM 0 H VAL A 27 6.606 -9.227 -13.964 1.00 0.00 H new ATOM 0 HA VAL A 27 5.419 -11.877 -14.133 1.00 0.00 H new ATOM 0 HB VAL A 27 5.974 -10.143 -11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.836 -12.276 -10.478 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.310 -11.891 -11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.411 -13.112 -11.990 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.991 -11.523 -11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.661 -12.329 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.042 -10.591 -12.925 1.00 0.00 H new ATOM 405 N ARG A 28 3.026 -11.237 -13.916 1.00 0.00 N ATOM 406 CA ARG A 28 1.622 -10.868 -13.875 1.00 0.00 C ATOM 407 C ARG A 28 0.981 -11.365 -12.587 1.00 0.00 C ATOM 408 O ARG A 28 0.687 -12.553 -12.446 1.00 0.00 O ATOM 409 CB ARG A 28 0.896 -11.441 -15.094 1.00 0.00 C ATOM 410 CG ARG A 28 1.653 -11.208 -16.392 1.00 0.00 C ATOM 411 CD ARG A 28 0.882 -11.689 -17.611 1.00 0.00 C ATOM 412 NE ARG A 28 1.698 -11.596 -18.822 1.00 0.00 N ATOM 413 CZ ARG A 28 2.062 -10.445 -19.391 1.00 0.00 C ATOM 414 NH1 ARG A 28 1.578 -9.299 -18.937 1.00 0.00 N ATOM 415 NH2 ARG A 28 2.891 -10.444 -20.427 1.00 0.00 N ATOM 0 H ARG A 28 3.210 -12.152 -14.328 1.00 0.00 H new ATOM 0 HA ARG A 28 1.541 -9.781 -13.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.747 -12.511 -14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.093 -10.988 -15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.867 -10.144 -16.498 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.612 -11.723 -16.347 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.565 -12.721 -17.461 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.022 -11.093 -17.732 1.00 0.00 H new ATOM 0 HE ARG A 28 2.008 -12.464 -19.258 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.927 -9.296 -18.152 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.857 -8.420 -19.372 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.253 -11.325 -20.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.167 -9.562 -20.859 1.00 0.00 H new ATOM 429 N PHE A 29 0.791 -10.454 -11.642 1.00 0.00 N ATOM 430 CA PHE A 29 0.210 -10.796 -10.353 1.00 0.00 C ATOM 431 C PHE A 29 -1.308 -10.733 -10.412 1.00 0.00 C ATOM 432 O PHE A 29 -1.883 -9.728 -10.833 1.00 0.00 O ATOM 433 CB PHE A 29 0.726 -9.854 -9.259 1.00 0.00 C ATOM 434 CG PHE A 29 2.200 -9.977 -8.994 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.681 -10.957 -8.140 1.00 0.00 C ATOM 436 CD2 PHE A 29 3.103 -9.113 -9.593 1.00 0.00 C ATOM 437 CE1 PHE A 29 4.035 -11.072 -7.888 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.457 -9.222 -9.343 1.00 0.00 C ATOM 439 CZ PHE A 29 4.924 -10.204 -8.491 1.00 0.00 C ATOM 0 H PHE A 29 1.032 -9.468 -11.746 1.00 0.00 H new ATOM 0 HA PHE A 29 0.510 -11.816 -10.111 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.503 -8.826 -9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.183 -10.054 -8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.990 -11.638 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.744 -8.346 -10.263 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.397 -11.840 -7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.150 -8.540 -9.813 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.983 -10.293 -8.297 1.00 0.00 H new ATOM 449 N SER A 30 -1.949 -11.814 -9.997 1.00 0.00 N ATOM 450 CA SER A 30 -3.401 -11.881 -9.970 1.00 0.00 C ATOM 451 C SER A 30 -3.920 -11.756 -8.539 1.00 0.00 C ATOM 452 O SER A 30 -5.066 -12.093 -8.244 1.00 0.00 O ATOM 453 CB SER A 30 -3.872 -13.194 -10.602 1.00 0.00 C ATOM 454 OG SER A 30 -3.402 -13.305 -11.938 1.00 0.00 O ATOM 0 H SER A 30 -1.483 -12.661 -9.673 1.00 0.00 H new ATOM 0 HA SER A 30 -3.802 -11.048 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.511 -14.037 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.961 -13.239 -10.589 1.00 0.00 H new ATOM 0 HG SER A 30 -3.711 -14.151 -12.324 1.00 0.00 H new ATOM 460 N HIS A 31 -3.065 -11.263 -7.649 1.00 0.00 N ATOM 461 CA HIS A 31 -3.463 -11.001 -6.270 1.00 0.00 C ATOM 462 C HIS A 31 -3.350 -9.513 -6.002 1.00 0.00 C ATOM 463 O HIS A 31 -2.834 -8.768 -6.835 1.00 0.00 O ATOM 464 CB HIS A 31 -2.564 -11.715 -5.242 1.00 0.00 C ATOM 465 CG HIS A 31 -2.004 -13.041 -5.656 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.655 -13.306 -5.646 1.00 0.00 N ATOM 467 CD2 HIS A 31 -2.608 -14.188 -6.049 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.449 -14.549 -6.017 1.00 0.00 C ATOM 469 NE2 HIS A 31 -1.616 -15.116 -6.266 1.00 0.00 N ATOM 0 H HIS A 31 -2.092 -11.037 -7.858 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.482 -11.372 -6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.732 -11.054 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.138 -11.857 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.670 -14.345 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.515 -15.028 -6.104 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.758 -16.080 -6.568 1.00 0.00 H new ATOM 478 N ALA A 32 -3.821 -9.083 -4.846 1.00 0.00 N ATOM 479 CA ALA A 32 -3.482 -7.767 -4.346 1.00 0.00 C ATOM 480 C ALA A 32 -2.049 -7.828 -3.859 1.00 0.00 C ATOM 481 O ALA A 32 -1.656 -8.815 -3.244 1.00 0.00 O ATOM 482 CB ALA A 32 -4.423 -7.355 -3.227 1.00 0.00 C ATOM 0 H ALA A 32 -4.437 -9.624 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.584 -7.019 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.149 -6.363 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.447 -7.335 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.350 -8.071 -2.408 1.00 0.00 H new ATOM 488 N ILE A 33 -1.246 -6.823 -4.150 1.00 0.00 N ATOM 489 CA ILE A 33 0.170 -6.908 -3.820 1.00 0.00 C ATOM 490 C ILE A 33 0.693 -5.634 -3.182 1.00 0.00 C ATOM 491 O ILE A 33 0.257 -4.526 -3.513 1.00 0.00 O ATOM 492 CB ILE A 33 1.039 -7.260 -5.052 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.747 -6.300 -6.210 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.816 -8.711 -5.475 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.653 -6.498 -7.407 1.00 0.00 C ATOM 0 H ILE A 33 -1.536 -5.957 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 33 0.250 -7.717 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 33 2.087 -7.148 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.289 -6.428 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.848 -5.275 -5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.436 -8.937 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.085 -9.375 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.233 -8.858 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.387 -5.784 -8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.690 -6.341 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.535 -7.512 -7.789 1.00 0.00 H new ATOM 507 N ALA A 34 1.616 -5.813 -2.254 1.00 0.00 N ATOM 508 CA ALA A 34 2.286 -4.709 -1.593 1.00 0.00 C ATOM 509 C ALA A 34 3.790 -4.912 -1.664 1.00 0.00 C ATOM 510 O ALA A 34 4.296 -5.966 -1.274 1.00 0.00 O ATOM 511 CB ALA A 34 1.828 -4.604 -0.145 1.00 0.00 C ATOM 0 H ALA A 34 1.923 -6.733 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 34 2.030 -3.778 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.339 -3.771 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.751 -4.436 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.065 -5.529 0.380 1.00 0.00 H new ATOM 517 N PHE A 35 4.504 -3.923 -2.177 1.00 0.00 N ATOM 518 CA PHE A 35 5.945 -4.042 -2.339 1.00 0.00 C ATOM 519 C PHE A 35 6.632 -2.688 -2.202 1.00 0.00 C ATOM 520 O PHE A 35 5.993 -1.638 -2.295 1.00 0.00 O ATOM 521 CB PHE A 35 6.294 -4.689 -3.686 1.00 0.00 C ATOM 522 CG PHE A 35 5.759 -3.965 -4.895 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.470 -4.199 -5.349 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.551 -3.059 -5.584 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.982 -3.543 -6.464 1.00 0.00 C ATOM 526 CE2 PHE A 35 6.069 -2.402 -6.700 1.00 0.00 C ATOM 527 CZ PHE A 35 4.782 -2.643 -7.139 1.00 0.00 C ATOM 0 H PHE A 35 4.113 -3.034 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 35 6.313 -4.688 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.379 -4.755 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.911 -5.709 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.839 -4.902 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.557 -2.864 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.976 -3.735 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.698 -1.701 -7.228 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.402 -2.128 -8.009 1.00 0.00 H new ATOM 537 N ALA A 36 7.937 -2.736 -1.975 1.00 0.00 N ATOM 538 CA ALA A 36 8.737 -1.533 -1.802 1.00 0.00 C ATOM 539 C ALA A 36 10.078 -1.699 -2.516 1.00 0.00 C ATOM 540 O ALA A 36 10.458 -2.821 -2.848 1.00 0.00 O ATOM 541 CB ALA A 36 8.954 -1.268 -0.319 1.00 0.00 C ATOM 0 H ALA A 36 8.468 -3.604 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 36 8.212 -0.682 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.554 -0.366 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.990 -1.133 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.474 -2.114 0.130 1.00 0.00 H new ATOM 547 N PRO A 37 10.808 -0.589 -2.764 1.00 0.00 N ATOM 548 CA PRO A 37 12.136 -0.635 -3.399 1.00 0.00 C ATOM 549 C PRO A 37 13.068 -1.664 -2.758 1.00 0.00 C ATOM 550 O PRO A 37 13.854 -2.319 -3.443 1.00 0.00 O ATOM 551 CB PRO A 37 12.673 0.781 -3.183 1.00 0.00 C ATOM 552 CG PRO A 37 11.458 1.638 -3.115 1.00 0.00 C ATOM 553 CD PRO A 37 10.387 0.796 -2.472 1.00 0.00 C ATOM 0 HA PRO A 37 12.074 -0.935 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.257 0.848 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 37 13.327 1.085 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.649 2.538 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.154 1.962 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.325 0.978 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.403 1.012 -2.889 1.00 0.00 H new ATOM 561 N GLU A 38 12.977 -1.802 -1.442 1.00 0.00 N ATOM 562 CA GLU A 38 13.755 -2.802 -0.723 1.00 0.00 C ATOM 563 C GLU A 38 12.841 -3.698 0.101 1.00 0.00 C ATOM 564 O GLU A 38 13.221 -4.186 1.163 1.00 0.00 O ATOM 565 CB GLU A 38 14.796 -2.143 0.183 1.00 0.00 C ATOM 566 CG GLU A 38 15.921 -1.464 -0.578 1.00 0.00 C ATOM 567 CD GLU A 38 17.163 -1.290 0.267 1.00 0.00 C ATOM 568 OE1 GLU A 38 17.876 -2.294 0.490 1.00 0.00 O ATOM 569 OE2 GLU A 38 17.434 -0.159 0.719 1.00 0.00 O ATOM 0 H GLU A 38 12.371 -1.233 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 38 14.278 -3.411 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.301 -1.407 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.220 -2.898 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.165 -2.053 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.583 -0.489 -0.928 1.00 0.00 H new ATOM 576 N GLY A 39 11.642 -3.929 -0.406 1.00 0.00 N ATOM 577 CA GLY A 39 10.691 -4.758 0.301 1.00 0.00 C ATOM 578 C GLY A 39 10.227 -5.928 -0.541 1.00 0.00 C ATOM 579 O GLY A 39 10.240 -5.847 -1.769 1.00 0.00 O ATOM 0 H GLY A 39 11.310 -3.557 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.145 -5.129 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.830 -4.156 0.592 1.00 0.00 H new ATOM 583 N PRO A 40 9.833 -7.042 0.088 1.00 0.00 N ATOM 584 CA PRO A 40 9.311 -8.209 -0.624 1.00 0.00 C ATOM 585 C PRO A 40 7.972 -7.907 -1.285 1.00 0.00 C ATOM 586 O PRO A 40 7.189 -7.106 -0.774 1.00 0.00 O ATOM 587 CB PRO A 40 9.135 -9.269 0.473 1.00 0.00 C ATOM 588 CG PRO A 40 9.899 -8.756 1.649 1.00 0.00 C ATOM 589 CD PRO A 40 9.867 -7.261 1.541 1.00 0.00 C ATOM 0 HA PRO A 40 9.977 -8.528 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.082 -9.408 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.517 -10.237 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.448 -9.090 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.924 -9.126 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.992 -6.838 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.744 -6.803 1.999 1.00 0.00 H new ATOM 597 N VAL A 41 7.717 -8.534 -2.424 1.00 0.00 N ATOM 598 CA VAL A 41 6.440 -8.368 -3.099 1.00 0.00 C ATOM 599 C VAL A 41 5.403 -9.259 -2.432 1.00 0.00 C ATOM 600 O VAL A 41 5.223 -10.417 -2.811 1.00 0.00 O ATOM 601 CB VAL A 41 6.527 -8.701 -4.605 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.219 -8.362 -5.306 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.688 -7.962 -5.254 1.00 0.00 C ATOM 0 H VAL A 41 8.372 -9.157 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 41 6.151 -7.320 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 41 6.704 -9.772 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.301 -8.604 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.408 -8.941 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.010 -7.298 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.731 -8.211 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.545 -6.888 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.621 -8.257 -4.774 1.00 0.00 H new ATOM 613 N ALA A 42 4.755 -8.721 -1.415 1.00 0.00 N ATOM 614 CA ALA A 42 3.830 -9.490 -0.606 1.00 0.00 C ATOM 615 C ALA A 42 2.469 -9.603 -1.276 1.00 0.00 C ATOM 616 O ALA A 42 1.856 -8.597 -1.636 1.00 0.00 O ATOM 617 CB ALA A 42 3.687 -8.860 0.773 1.00 0.00 C ATOM 0 H ALA A 42 4.854 -7.747 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 42 4.235 -10.496 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.990 -9.447 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.659 -8.839 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.310 -7.842 0.671 1.00 0.00 H new ATOM 623 N SER A 43 2.017 -10.834 -1.458 1.00 0.00 N ATOM 624 CA SER A 43 0.683 -11.088 -1.968 1.00 0.00 C ATOM 625 C SER A 43 -0.333 -10.994 -0.833 1.00 0.00 C ATOM 626 O SER A 43 -0.235 -11.702 0.172 1.00 0.00 O ATOM 627 CB SER A 43 0.622 -12.457 -2.644 1.00 0.00 C ATOM 628 OG SER A 43 1.459 -12.499 -3.790 1.00 0.00 O ATOM 0 H SER A 43 2.559 -11.675 -1.258 1.00 0.00 H new ATOM 0 HA SER A 43 0.438 -10.333 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.928 -13.229 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.406 -12.678 -2.932 1.00 0.00 H new ATOM 0 HG SER A 43 0.930 -12.763 -4.572 1.00 0.00 H new ATOM 634 N TRP A 44 -1.290 -10.104 -1.002 1.00 0.00 N ATOM 635 CA TRP A 44 -2.281 -9.815 0.017 1.00 0.00 C ATOM 636 C TRP A 44 -3.607 -10.475 -0.357 1.00 0.00 C ATOM 637 O TRP A 44 -4.156 -10.213 -1.428 1.00 0.00 O ATOM 638 CB TRP A 44 -2.444 -8.295 0.120 1.00 0.00 C ATOM 639 CG TRP A 44 -2.773 -7.784 1.490 1.00 0.00 C ATOM 640 CD1 TRP A 44 -2.630 -8.440 2.679 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.273 -6.480 1.808 1.00 0.00 C ATOM 642 NE1 TRP A 44 -3.025 -7.627 3.715 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.423 -6.418 3.204 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.615 -5.359 1.043 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.897 -5.278 3.851 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.085 -4.231 1.688 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.221 -4.198 3.079 1.00 0.00 C ATOM 0 H TRP A 44 -1.403 -9.557 -1.855 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.962 -10.210 0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.521 -7.822 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.230 -7.982 -0.567 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.261 -9.449 2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.022 -7.881 4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.513 -5.375 -0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.004 -5.249 4.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.352 -3.360 1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.590 -3.300 3.553 1.00 0.00 H new ATOM 658 N PRO A 45 -4.136 -11.349 0.512 1.00 0.00 N ATOM 659 CA PRO A 45 -5.387 -12.073 0.251 1.00 0.00 C ATOM 660 C PRO A 45 -6.633 -11.210 0.469 1.00 0.00 C ATOM 661 O PRO A 45 -7.753 -11.720 0.538 1.00 0.00 O ATOM 662 CB PRO A 45 -5.342 -13.212 1.270 1.00 0.00 C ATOM 663 CG PRO A 45 -4.559 -12.663 2.411 1.00 0.00 C ATOM 664 CD PRO A 45 -3.548 -11.718 1.816 1.00 0.00 C ATOM 0 HA PRO A 45 -5.458 -12.401 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.345 -13.505 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.866 -14.099 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.210 -12.143 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.065 -13.462 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.397 -10.843 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.576 -12.196 1.696 1.00 0.00 H new ATOM 672 N VAL A 46 -6.434 -9.905 0.570 1.00 0.00 N ATOM 673 CA VAL A 46 -7.531 -8.979 0.799 1.00 0.00 C ATOM 674 C VAL A 46 -8.017 -8.395 -0.522 1.00 0.00 C ATOM 675 O VAL A 46 -7.295 -7.661 -1.189 1.00 0.00 O ATOM 676 CB VAL A 46 -7.109 -7.838 1.747 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.277 -6.910 2.036 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.538 -8.403 3.038 1.00 0.00 C ATOM 0 H VAL A 46 -5.518 -9.462 0.496 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.343 -9.535 1.268 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.332 -7.255 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.952 -6.114 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.635 -6.475 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.083 -7.474 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.245 -7.584 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.293 -9.014 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.666 -9.017 2.812 1.00 0.00 H new ATOM 688 N GLN A 47 -9.237 -8.748 -0.902 1.00 0.00 N ATOM 689 CA GLN A 47 -9.821 -8.259 -2.146 1.00 0.00 C ATOM 690 C GLN A 47 -10.588 -6.963 -1.912 1.00 0.00 C ATOM 691 O GLN A 47 -10.695 -6.118 -2.801 1.00 0.00 O ATOM 692 CB GLN A 47 -10.770 -9.305 -2.736 1.00 0.00 C ATOM 693 CG GLN A 47 -10.107 -10.632 -3.065 1.00 0.00 C ATOM 694 CD GLN A 47 -11.095 -11.654 -3.593 1.00 0.00 C ATOM 695 OE1 GLN A 47 -12.272 -11.645 -3.230 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.622 -12.542 -4.456 1.00 0.00 N ATOM 0 H GLN A 47 -9.843 -9.371 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.007 -8.069 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.582 -9.482 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.219 -8.901 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.324 -10.471 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.624 -11.026 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.640 -12.514 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.240 -13.253 -4.846 1.00 0.00 H new ATOM 705 N ARG A 48 -11.118 -6.814 -0.708 1.00 0.00 N ATOM 706 CA ARG A 48 -11.992 -5.697 -0.397 1.00 0.00 C ATOM 707 C ARG A 48 -11.334 -4.773 0.618 1.00 0.00 C ATOM 708 O ARG A 48 -10.922 -5.212 1.690 1.00 0.00 O ATOM 709 CB ARG A 48 -13.318 -6.224 0.153 1.00 0.00 C ATOM 710 CG ARG A 48 -13.902 -7.347 -0.686 1.00 0.00 C ATOM 711 CD ARG A 48 -14.970 -8.114 0.069 1.00 0.00 C ATOM 712 NE ARG A 48 -15.231 -9.413 -0.546 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.253 -10.562 0.125 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.063 -10.574 1.439 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.449 -11.699 -0.528 1.00 0.00 N ATOM 0 H ARG A 48 -10.957 -7.454 0.070 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.179 -5.129 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.167 -6.580 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.035 -5.405 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.328 -6.934 -1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.106 -8.030 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.655 -8.256 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.890 -7.530 0.093 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.407 -9.441 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.899 -9.700 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.081 -11.457 1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.582 -11.690 -1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.467 -12.583 -0.019 1.00 0.00 H new ATOM 729 N PRO A 49 -11.243 -3.474 0.299 1.00 0.00 N ATOM 730 CA PRO A 49 -10.611 -2.476 1.176 1.00 0.00 C ATOM 731 C PRO A 49 -11.360 -2.272 2.496 1.00 0.00 C ATOM 732 O PRO A 49 -10.941 -1.487 3.342 1.00 0.00 O ATOM 733 CB PRO A 49 -10.641 -1.190 0.342 1.00 0.00 C ATOM 734 CG PRO A 49 -11.714 -1.404 -0.668 1.00 0.00 C ATOM 735 CD PRO A 49 -11.730 -2.876 -0.957 1.00 0.00 C ATOM 0 HA PRO A 49 -9.610 -2.789 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.854 -0.322 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.679 -1.009 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.679 -1.072 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.515 -0.832 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.732 -3.226 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.085 -3.128 -1.799 1.00 0.00 H new ATOM 743 N ALA A 50 -12.469 -2.979 2.659 1.00 0.00 N ATOM 744 CA ALA A 50 -13.248 -2.914 3.887 1.00 0.00 C ATOM 745 C ALA A 50 -12.860 -4.043 4.835 1.00 0.00 C ATOM 746 O ALA A 50 -13.181 -4.012 6.023 1.00 0.00 O ATOM 747 CB ALA A 50 -14.730 -2.981 3.570 1.00 0.00 C ATOM 0 H ALA A 50 -12.851 -3.607 1.952 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.034 -1.965 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.303 -2.932 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.003 -2.143 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.950 -3.917 3.057 1.00 0.00 H new ATOM 753 N ASP A 51 -12.158 -5.035 4.302 1.00 0.00 N ATOM 754 CA ASP A 51 -11.742 -6.189 5.092 1.00 0.00 C ATOM 755 C ASP A 51 -10.451 -5.876 5.830 1.00 0.00 C ATOM 756 O ASP A 51 -9.999 -6.648 6.675 1.00 0.00 O ATOM 757 CB ASP A 51 -11.531 -7.420 4.201 1.00 0.00 C ATOM 758 CG ASP A 51 -12.782 -7.850 3.458 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.901 -7.555 3.930 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.652 -8.508 2.404 1.00 0.00 O ATOM 0 H ASP A 51 -11.864 -5.065 3.326 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.533 -6.408 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.744 -7.205 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.180 -8.249 4.816 1.00 0.00 H new ATOM 765 N ILE A 52 -9.872 -4.727 5.508 1.00 0.00 N ATOM 766 CA ILE A 52 -8.583 -4.328 6.049 1.00 0.00 C ATOM 767 C ILE A 52 -8.678 -4.000 7.539 1.00 0.00 C ATOM 768 O ILE A 52 -9.563 -3.260 7.975 1.00 0.00 O ATOM 769 CB ILE A 52 -8.013 -3.110 5.290 1.00 0.00 C ATOM 770 CG1 ILE A 52 -7.920 -3.414 3.791 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.646 -2.731 5.840 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.414 -2.250 2.962 1.00 0.00 C ATOM 0 H ILE A 52 -10.282 -4.048 4.866 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.909 -5.175 5.920 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.688 -2.266 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.259 -4.268 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.905 -3.706 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.260 -1.871 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.736 -2.479 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.962 -3.571 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.375 -2.541 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.087 -1.400 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.415 -1.971 3.298 1.00 0.00 H new ATOM 784 N THR A 53 -7.774 -4.580 8.313 1.00 0.00 N ATOM 785 CA THR A 53 -7.663 -4.286 9.728 1.00 0.00 C ATOM 786 C THR A 53 -6.366 -3.535 9.996 1.00 0.00 C ATOM 787 O THR A 53 -5.583 -3.292 9.074 1.00 0.00 O ATOM 788 CB THR A 53 -7.669 -5.579 10.564 1.00 0.00 C ATOM 789 OG1 THR A 53 -6.643 -6.462 10.086 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.021 -6.274 10.497 1.00 0.00 C ATOM 0 H THR A 53 -7.099 -5.266 7.976 1.00 0.00 H new ATOM 0 HA THR A 53 -8.520 -3.676 10.014 1.00 0.00 H new ATOM 0 HB THR A 53 -7.477 -5.317 11.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.645 -7.285 10.619 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.993 -7.183 11.097 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.792 -5.608 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.248 -6.529 9.462 1.00 0.00 H new ATOM 798 N ALA A 54 -6.125 -3.191 11.252 1.00 0.00 N ATOM 799 CA ALA A 54 -4.872 -2.560 11.631 1.00 0.00 C ATOM 800 C ALA A 54 -3.736 -3.563 11.485 1.00 0.00 C ATOM 801 O ALA A 54 -2.622 -3.214 11.098 1.00 0.00 O ATOM 802 CB ALA A 54 -4.950 -2.033 13.055 1.00 0.00 C ATOM 0 H ALA A 54 -6.778 -3.338 12.022 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.682 -1.712 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.003 -1.564 13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.752 -1.298 13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.151 -2.858 13.738 1.00 0.00 H new ATOM 808 N SER A 55 -4.047 -4.819 11.778 1.00 0.00 N ATOM 809 CA SER A 55 -3.094 -5.907 11.637 1.00 0.00 C ATOM 810 C SER A 55 -2.722 -6.105 10.169 1.00 0.00 C ATOM 811 O SER A 55 -1.556 -6.314 9.832 1.00 0.00 O ATOM 812 CB SER A 55 -3.693 -7.194 12.200 1.00 0.00 C ATOM 813 OG SER A 55 -4.261 -6.974 13.482 1.00 0.00 O ATOM 0 H SER A 55 -4.964 -5.109 12.119 1.00 0.00 H new ATOM 0 HA SER A 55 -2.191 -5.656 12.193 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.457 -7.571 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.920 -7.960 12.268 1.00 0.00 H new ATOM 0 HG SER A 55 -4.639 -7.812 13.820 1.00 0.00 H new ATOM 819 N LEU A 56 -3.724 -6.026 9.297 1.00 0.00 N ATOM 820 CA LEU A 56 -3.501 -6.172 7.865 1.00 0.00 C ATOM 821 C LEU A 56 -2.646 -5.033 7.325 1.00 0.00 C ATOM 822 O LEU A 56 -1.814 -5.243 6.444 1.00 0.00 O ATOM 823 CB LEU A 56 -4.829 -6.235 7.109 1.00 0.00 C ATOM 824 CG LEU A 56 -5.623 -7.526 7.304 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.924 -7.478 6.524 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.797 -8.725 6.876 1.00 0.00 C ATOM 0 H LEU A 56 -4.696 -5.862 9.558 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.967 -7.109 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.448 -5.395 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.631 -6.106 6.045 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.860 -7.625 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.474 -8.407 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.526 -6.638 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.708 -7.354 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.377 -9.637 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.532 -8.627 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.888 -8.774 7.476 1.00 0.00 H new ATOM 838 N LEU A 57 -2.847 -3.835 7.859 1.00 0.00 N ATOM 839 CA LEU A 57 -2.047 -2.683 7.464 1.00 0.00 C ATOM 840 C LEU A 57 -0.580 -2.896 7.824 1.00 0.00 C ATOM 841 O LEU A 57 0.312 -2.509 7.072 1.00 0.00 O ATOM 842 CB LEU A 57 -2.571 -1.404 8.120 1.00 0.00 C ATOM 843 CG LEU A 57 -3.907 -0.894 7.576 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.357 0.339 8.343 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.789 -0.584 6.090 1.00 0.00 C ATOM 0 H LEU A 57 -3.556 -3.636 8.565 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.128 -2.574 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.676 -1.580 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.824 -0.620 7.998 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.657 -1.674 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.309 0.689 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.476 0.088 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.609 1.125 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.747 -0.222 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.028 0.181 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.508 -1.489 5.551 1.00 0.00 H new ATOM 857 N GLN A 58 -0.337 -3.527 8.967 1.00 0.00 N ATOM 858 CA GLN A 58 1.022 -3.832 9.397 1.00 0.00 C ATOM 859 C GLN A 58 1.668 -4.842 8.451 1.00 0.00 C ATOM 860 O GLN A 58 2.841 -4.717 8.098 1.00 0.00 O ATOM 861 CB GLN A 58 1.027 -4.369 10.830 1.00 0.00 C ATOM 862 CG GLN A 58 0.466 -3.385 11.843 1.00 0.00 C ATOM 863 CD GLN A 58 0.472 -3.928 13.257 1.00 0.00 C ATOM 864 OE1 GLN A 58 0.365 -5.134 13.475 1.00 0.00 O ATOM 865 NE2 GLN A 58 0.597 -3.039 14.230 1.00 0.00 N ATOM 0 H GLN A 58 -1.063 -3.837 9.612 1.00 0.00 H new ATOM 0 HA GLN A 58 1.603 -2.910 9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.445 -5.290 10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.048 -4.626 11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.049 -2.465 11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.555 -3.125 11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.683 -2.047 14.007 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.607 -3.346 15.203 1.00 0.00 H new ATOM 874 N GLN A 59 0.891 -5.835 8.031 1.00 0.00 N ATOM 875 CA GLN A 59 1.373 -6.831 7.083 1.00 0.00 C ATOM 876 C GLN A 59 1.636 -6.198 5.717 1.00 0.00 C ATOM 877 O GLN A 59 2.636 -6.499 5.069 1.00 0.00 O ATOM 878 CB GLN A 59 0.372 -7.984 6.947 1.00 0.00 C ATOM 879 CG GLN A 59 0.295 -8.878 8.175 1.00 0.00 C ATOM 880 CD GLN A 59 -0.706 -10.008 8.013 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.718 -9.865 7.325 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.426 -11.146 8.631 1.00 0.00 N ATOM 0 H GLN A 59 -0.074 -5.971 8.332 1.00 0.00 H new ATOM 0 HA GLN A 59 2.312 -7.231 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.617 -7.572 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.646 -8.591 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.281 -9.297 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.021 -8.276 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.422 -11.226 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.058 -11.942 8.546 1.00 0.00 H new ATOM 891 N ALA A 60 0.745 -5.303 5.301 1.00 0.00 N ATOM 892 CA ALA A 60 0.875 -4.625 4.016 1.00 0.00 C ATOM 893 C ALA A 60 2.052 -3.654 4.014 1.00 0.00 C ATOM 894 O ALA A 60 2.623 -3.359 2.968 1.00 0.00 O ATOM 895 CB ALA A 60 -0.411 -3.890 3.674 1.00 0.00 C ATOM 0 H ALA A 60 -0.078 -5.030 5.838 1.00 0.00 H new ATOM 0 HA ALA A 60 1.065 -5.384 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.299 -3.389 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.234 -4.603 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.624 -3.150 4.446 1.00 0.00 H new ATOM 901 N ALA A 61 2.408 -3.161 5.194 1.00 0.00 N ATOM 902 CA ALA A 61 3.533 -2.244 5.332 1.00 0.00 C ATOM 903 C ALA A 61 4.854 -3.003 5.392 1.00 0.00 C ATOM 904 O ALA A 61 5.924 -2.401 5.475 1.00 0.00 O ATOM 905 CB ALA A 61 3.362 -1.380 6.574 1.00 0.00 C ATOM 0 H ALA A 61 1.934 -3.381 6.070 1.00 0.00 H new ATOM 0 HA ALA A 61 3.553 -1.598 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.209 -0.700 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.441 -0.803 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.313 -2.018 7.457 1.00 0.00 H new ATOM 911 N GLY A 62 4.769 -4.329 5.354 1.00 0.00 N ATOM 912 CA GLY A 62 5.957 -5.156 5.418 1.00 0.00 C ATOM 913 C GLY A 62 6.569 -5.178 6.802 1.00 0.00 C ATOM 914 O GLY A 62 7.765 -5.422 6.960 1.00 0.00 O ATOM 0 H GLY A 62 3.893 -4.846 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.705 -6.173 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.693 -4.787 4.704 1.00 0.00 H new ATOM 918 N LEU A 63 5.743 -4.943 7.814 1.00 0.00 N ATOM 919 CA LEU A 63 6.218 -4.878 9.186 1.00 0.00 C ATOM 920 C LEU A 63 6.268 -6.263 9.804 1.00 0.00 C ATOM 921 O LEU A 63 5.535 -6.583 10.744 1.00 0.00 O ATOM 922 CB LEU A 63 5.338 -3.952 10.015 1.00 0.00 C ATOM 923 CG LEU A 63 5.315 -2.504 9.540 1.00 0.00 C ATOM 924 CD1 LEU A 63 4.353 -1.700 10.385 1.00 0.00 C ATOM 925 CD2 LEU A 63 6.710 -1.898 9.596 1.00 0.00 C ATOM 0 H LEU A 63 4.740 -4.794 7.708 1.00 0.00 H new ATOM 0 HA LEU A 63 7.230 -4.473 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.319 -4.339 10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.681 -3.976 11.049 1.00 0.00 H new ATOM 0 HG LEU A 63 4.978 -2.481 8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.342 -0.666 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.352 -2.122 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.671 -1.731 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.672 -0.864 9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.078 -1.927 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.381 -2.469 8.954 1.00 0.00 H new ATOM 1274 N ALA A 88 11.726 2.190 9.460 1.00 0.00 N ATOM 1275 CA ALA A 88 10.333 1.872 9.179 1.00 0.00 C ATOM 1276 C ALA A 88 9.839 2.667 7.972 1.00 0.00 C ATOM 1277 O ALA A 88 10.305 3.782 7.726 1.00 0.00 O ATOM 1278 CB ALA A 88 9.470 2.160 10.402 1.00 0.00 C ATOM 0 HA ALA A 88 10.256 0.810 8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.431 1.918 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.812 1.553 11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.549 3.215 10.663 1.00 0.00 H new ATOM 1284 N PRO A 89 8.907 2.095 7.189 1.00 0.00 N ATOM 1285 CA PRO A 89 8.339 2.764 6.013 1.00 0.00 C ATOM 1286 C PRO A 89 7.712 4.112 6.360 1.00 0.00 C ATOM 1287 O PRO A 89 6.828 4.195 7.210 1.00 0.00 O ATOM 1288 CB PRO A 89 7.265 1.788 5.524 1.00 0.00 C ATOM 1289 CG PRO A 89 7.675 0.463 6.068 1.00 0.00 C ATOM 1290 CD PRO A 89 8.339 0.749 7.384 1.00 0.00 C ATOM 0 HA PRO A 89 9.102 2.985 5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.277 2.075 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.214 1.770 4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.812 -0.190 6.199 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.358 -0.045 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.626 0.728 8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.112 0.015 7.613 1.00 0.00 H new ATOM 1298 N GLU A 90 8.176 5.160 5.691 1.00 0.00 N ATOM 1299 CA GLU A 90 7.682 6.508 5.931 1.00 0.00 C ATOM 1300 C GLU A 90 6.220 6.620 5.537 1.00 0.00 C ATOM 1301 O GLU A 90 5.388 7.095 6.310 1.00 0.00 O ATOM 1302 CB GLU A 90 8.486 7.521 5.126 1.00 0.00 C ATOM 1303 CG GLU A 90 9.960 7.553 5.467 1.00 0.00 C ATOM 1304 CD GLU A 90 10.735 8.423 4.507 1.00 0.00 C ATOM 1305 OE1 GLU A 90 10.251 9.525 4.180 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.819 7.996 4.054 1.00 0.00 O ATOM 0 H GLU A 90 8.899 5.100 4.974 1.00 0.00 H new ATOM 0 HA GLU A 90 7.789 6.717 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.374 7.296 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.065 8.513 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.091 7.926 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.361 6.540 5.445 1.00 0.00 H new ATOM 1313 N VAL A 91 5.913 6.180 4.331 1.00 0.00 N ATOM 1314 CA VAL A 91 4.566 6.302 3.811 1.00 0.00 C ATOM 1315 C VAL A 91 4.106 5.009 3.142 1.00 0.00 C ATOM 1316 O VAL A 91 4.822 4.415 2.331 1.00 0.00 O ATOM 1317 CB VAL A 91 4.454 7.497 2.832 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.508 7.415 1.740 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.060 7.578 2.228 1.00 0.00 C ATOM 0 H VAL A 91 6.576 5.736 3.696 1.00 0.00 H new ATOM 0 HA VAL A 91 3.905 6.492 4.657 1.00 0.00 H new ATOM 0 HB VAL A 91 4.632 8.409 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.404 8.267 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.500 7.427 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.377 6.491 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.008 8.425 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.846 6.659 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.326 7.708 3.023 1.00 0.00 H new ATOM 1329 N LEU A 92 2.918 4.569 3.521 1.00 0.00 N ATOM 1330 CA LEU A 92 2.299 3.392 2.942 1.00 0.00 C ATOM 1331 C LEU A 92 1.146 3.814 2.043 1.00 0.00 C ATOM 1332 O LEU A 92 0.142 4.349 2.518 1.00 0.00 O ATOM 1333 CB LEU A 92 1.797 2.459 4.049 1.00 0.00 C ATOM 1334 CG LEU A 92 1.045 1.212 3.572 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.957 0.308 2.756 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.467 0.455 4.759 1.00 0.00 C ATOM 0 H LEU A 92 2.355 5.021 4.242 1.00 0.00 H new ATOM 0 HA LEU A 92 3.037 2.854 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.651 2.140 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.141 3.027 4.709 1.00 0.00 H new ATOM 0 HG LEU A 92 0.224 1.533 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.401 -0.570 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.323 0.851 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.802 -0.006 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.064 -0.428 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.275 0.150 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.224 1.101 5.301 1.00 0.00 H new ATOM 1348 N LEU A 93 1.296 3.586 0.751 1.00 0.00 N ATOM 1349 CA LEU A 93 0.284 3.979 -0.212 1.00 0.00 C ATOM 1350 C LEU A 93 -0.676 2.831 -0.475 1.00 0.00 C ATOM 1351 O LEU A 93 -0.376 1.922 -1.249 1.00 0.00 O ATOM 1352 CB LEU A 93 0.929 4.434 -1.524 1.00 0.00 C ATOM 1353 CG LEU A 93 1.803 5.686 -1.426 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.427 6.005 -2.774 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.991 6.869 -0.925 1.00 0.00 C ATOM 0 H LEU A 93 2.112 3.129 0.343 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.274 4.815 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.537 3.617 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.139 4.619 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 93 2.602 5.490 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.045 6.898 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.044 5.167 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.640 6.179 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.631 7.749 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.170 7.065 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.589 6.642 0.062 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.815 2.864 0.193 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.836 1.853 -0.002 1.00 0.00 C ATOM 1369 C VAL A 94 -3.809 2.300 -1.081 1.00 0.00 C ATOM 1370 O VAL A 94 -4.624 3.203 -0.872 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.610 1.550 1.303 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.714 0.527 1.056 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.659 1.055 2.384 1.00 0.00 C ATOM 0 H VAL A 94 -2.056 3.582 0.876 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.333 0.936 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.074 2.475 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.243 0.331 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.413 0.918 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.275 -0.400 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.220 0.847 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.166 0.144 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.909 1.820 2.587 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.691 1.691 -2.246 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.611 1.966 -3.319 1.00 0.00 C ATOM 1385 C GLY A 95 -5.857 1.129 -3.180 1.00 0.00 C ATOM 1386 O GLY A 95 -5.814 -0.086 -3.381 1.00 0.00 O ATOM 0 H GLY A 95 -2.968 1.006 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.875 3.024 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.133 1.759 -4.277 1.00 0.00 H new ATOM 1390 N THR A 96 -6.964 1.770 -2.828 1.00 0.00 N ATOM 1391 CA THR A 96 -8.211 1.063 -2.573 1.00 0.00 C ATOM 1392 C THR A 96 -8.718 0.341 -3.821 1.00 0.00 C ATOM 1393 O THR A 96 -9.568 -0.547 -3.731 1.00 0.00 O ATOM 1394 CB THR A 96 -9.291 2.019 -2.031 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.286 3.246 -2.772 1.00 0.00 O ATOM 1396 CG2 THR A 96 -9.058 2.310 -0.555 1.00 0.00 C ATOM 0 H THR A 96 -7.023 2.782 -2.712 1.00 0.00 H new ATOM 0 HA THR A 96 -8.002 0.310 -1.813 1.00 0.00 H new ATOM 0 HB THR A 96 -10.261 1.536 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.674 3.882 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.831 2.987 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.096 1.379 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.080 2.773 -0.425 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.193 0.742 -4.977 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.440 0.025 -6.211 1.00 0.00 C ATOM 1406 C GLY A 97 -9.883 0.060 -6.660 1.00 0.00 C ATOM 1407 O GLY A 97 -10.305 0.981 -7.361 1.00 0.00 O ATOM 0 H GLY A 97 -7.594 1.562 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.815 0.448 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.134 -1.013 -6.084 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.633 -0.947 -6.244 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.006 -1.140 -6.686 1.00 0.00 C ATOM 1413 C ARG A 98 -12.884 0.061 -6.338 1.00 0.00 C ATOM 1414 O ARG A 98 -13.572 0.601 -7.201 1.00 0.00 O ATOM 1415 CB ARG A 98 -12.572 -2.418 -6.065 1.00 0.00 C ATOM 1416 CG ARG A 98 -11.731 -3.647 -6.371 1.00 0.00 C ATOM 1417 CD ARG A 98 -12.293 -4.895 -5.715 1.00 0.00 C ATOM 1418 NE ARG A 98 -11.451 -6.062 -5.968 1.00 0.00 N ATOM 1419 CZ ARG A 98 -11.890 -7.318 -5.954 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -13.164 -7.586 -5.695 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -11.057 -8.316 -6.205 1.00 0.00 N ATOM 0 H ARG A 98 -10.306 -1.657 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.005 -1.236 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.641 -2.291 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.586 -2.577 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.683 -3.794 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.710 -3.484 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.379 -4.734 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.299 -5.083 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.463 -5.904 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.817 -6.826 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.490 -8.552 -5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.077 -8.123 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.396 -9.278 -6.194 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.853 0.483 -5.080 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.648 1.626 -4.646 1.00 0.00 C ATOM 1437 C ARG A 99 -12.911 2.440 -3.592 1.00 0.00 C ATOM 1438 O ARG A 99 -12.345 1.886 -2.643 1.00 0.00 O ATOM 1439 CB ARG A 99 -15.014 1.178 -4.114 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.974 0.755 -5.212 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.352 0.430 -4.670 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.281 0.090 -5.745 1.00 0.00 N ATOM 1443 CZ ARG A 99 -19.427 -0.559 -5.566 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.807 -0.918 -4.347 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -20.192 -0.842 -6.612 1.00 0.00 N ATOM 0 H ARG A 99 -12.290 0.054 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.810 2.261 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.873 0.347 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -15.460 1.993 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.054 1.553 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.573 -0.117 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.282 -0.403 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.736 1.284 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.034 0.369 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -19.219 -0.696 -3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -20.687 -1.416 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.900 -0.562 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -21.072 -1.340 -6.480 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.928 3.757 -3.773 1.00 0.00 N ATOM 1460 CA GLN A 100 -12.225 4.682 -2.891 1.00 0.00 C ATOM 1461 C GLN A 100 -12.897 4.743 -1.523 1.00 0.00 C ATOM 1462 O GLN A 100 -14.022 5.224 -1.389 1.00 0.00 O ATOM 1463 CB GLN A 100 -12.192 6.077 -3.524 1.00 0.00 C ATOM 1464 CG GLN A 100 -11.425 7.120 -2.719 1.00 0.00 C ATOM 1465 CD GLN A 100 -9.940 6.827 -2.628 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -9.168 7.216 -3.501 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -9.520 6.177 -1.553 1.00 0.00 N ATOM 0 H GLN A 100 -13.430 4.213 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.205 4.324 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.745 6.001 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.216 6.424 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.569 8.100 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.841 7.172 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.191 5.869 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.526 5.984 -1.429 1.00 0.00 H new ATOM 1476 N HIS A 101 -12.204 4.238 -0.517 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.706 4.263 0.850 1.00 0.00 C ATOM 1478 C HIS A 101 -11.853 5.176 1.705 1.00 0.00 C ATOM 1479 O HIS A 101 -10.650 5.303 1.478 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.701 2.859 1.465 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.793 1.969 0.968 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -13.711 1.264 -0.210 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.997 1.660 1.505 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -14.816 0.561 -0.376 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -15.614 0.784 0.651 1.00 0.00 N ATOM 0 H HIS A 101 -11.287 3.803 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.730 4.634 0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.740 2.387 1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.785 2.949 2.548 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -12.920 1.282 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.397 2.035 2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.031 -0.088 -1.212 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.479 5.815 2.677 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.751 6.595 3.661 1.00 0.00 C ATOM 1496 C LEU A 102 -11.603 5.766 4.927 1.00 0.00 C ATOM 1497 O LEU A 102 -12.575 5.543 5.649 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.473 7.912 3.962 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.746 8.844 4.936 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -10.403 9.274 4.365 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -12.606 10.056 5.253 1.00 0.00 C ATOM 0 H LEU A 102 -13.491 5.809 2.806 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.766 6.846 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.631 8.444 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.458 7.684 4.369 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.564 8.299 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.902 9.936 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.784 8.394 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.560 9.801 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.075 10.708 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.819 10.601 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.542 9.730 5.707 1.00 0.00 H new ATOM 1513 N LEU A 103 -10.392 5.285 5.170 1.00 0.00 N ATOM 1514 CA LEU A 103 -10.134 4.387 6.289 1.00 0.00 C ATOM 1515 C LEU A 103 -10.255 5.128 7.621 1.00 0.00 C ATOM 1516 O LEU A 103 -10.327 6.358 7.652 1.00 0.00 O ATOM 1517 CB LEU A 103 -8.749 3.748 6.147 1.00 0.00 C ATOM 1518 CG LEU A 103 -8.494 3.037 4.811 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -7.128 2.369 4.814 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -9.591 2.020 4.513 1.00 0.00 C ATOM 0 H LEU A 103 -9.570 5.502 4.606 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.884 3.596 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.993 4.522 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.613 3.029 6.955 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.509 3.787 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.965 1.870 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.355 3.122 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.084 1.635 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.385 1.531 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.619 1.273 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.554 2.528 4.459 1.00 0.00 H new ATOM 1532 N GLY A 104 -10.250 4.382 8.715 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.513 4.978 10.009 1.00 0.00 C ATOM 1534 C GLY A 104 -9.265 5.110 10.857 1.00 0.00 C ATOM 1535 O GLY A 104 -8.361 4.277 10.769 1.00 0.00 O ATOM 0 H GLY A 104 -10.069 3.378 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.957 5.963 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.246 4.372 10.541 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.197 6.154 11.704 1.00 0.00 N ATOM 1540 CA PRO A 105 -8.040 6.417 12.571 1.00 0.00 C ATOM 1541 C PRO A 105 -7.717 5.242 13.491 1.00 0.00 C ATOM 1542 O PRO A 105 -6.578 5.076 13.926 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.470 7.637 13.390 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.520 8.294 12.563 1.00 0.00 C ATOM 1545 CD PRO A 105 -10.246 7.178 11.871 1.00 0.00 C ATOM 0 HA PRO A 105 -7.132 6.578 11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.860 7.343 14.365 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.631 8.308 13.572 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.199 8.878 13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.078 8.981 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.080 6.808 12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.656 7.496 10.912 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.726 4.425 13.766 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.564 3.231 14.595 1.00 0.00 C ATOM 1555 C GLU A 106 -7.481 2.311 14.034 1.00 0.00 C ATOM 1556 O GLU A 106 -6.775 1.630 14.776 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.885 2.465 14.664 1.00 0.00 C ATOM 1558 CG GLU A 106 -11.032 3.261 15.262 1.00 0.00 C ATOM 1559 CD GLU A 106 -10.765 3.672 16.692 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -10.303 2.824 17.481 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.015 4.844 17.037 1.00 0.00 O ATOM 0 H GLU A 106 -9.676 4.568 13.424 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.265 3.553 15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.162 2.148 13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.738 1.560 15.254 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.207 4.151 14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.944 2.665 15.222 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.351 2.316 12.716 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.463 1.398 12.021 1.00 0.00 C ATOM 1570 C GLN A 107 -5.056 1.972 11.873 1.00 0.00 C ATOM 1571 O GLN A 107 -4.085 1.230 11.738 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.046 1.090 10.642 1.00 0.00 C ATOM 1573 CG GLN A 107 -8.419 0.443 10.695 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.173 0.559 9.384 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.019 1.532 8.647 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -9.996 -0.432 9.084 1.00 0.00 N ATOM 0 H GLN A 107 -7.856 2.954 12.101 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.383 0.485 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.111 2.015 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.363 0.431 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.310 -0.610 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.005 0.908 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.096 -1.222 9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.530 -0.406 8.215 1.00 0.00 H new ATOM 1585 N VAL A 108 -4.942 3.294 11.921 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.684 3.956 11.587 1.00 0.00 C ATOM 1587 C VAL A 108 -2.809 4.222 12.815 1.00 0.00 C ATOM 1588 O VAL A 108 -1.594 4.378 12.683 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.923 5.285 10.834 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.752 5.051 9.581 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.594 6.314 11.731 1.00 0.00 C ATOM 0 H VAL A 108 -5.698 3.926 12.186 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.152 3.262 10.936 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.951 5.679 10.539 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.909 5.999 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.226 4.362 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.716 4.625 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.749 7.237 11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.556 5.929 12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.959 6.514 12.594 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.415 4.255 14.002 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.690 4.586 15.227 1.00 0.00 C ATOM 1603 C ARG A 109 -1.448 3.707 15.444 1.00 0.00 C ATOM 1604 O ARG A 109 -0.370 4.235 15.723 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.607 4.490 16.444 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.795 5.434 16.405 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.506 5.491 17.747 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.699 4.161 18.328 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.863 3.518 18.345 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.943 4.085 17.827 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -6.949 2.316 18.899 1.00 0.00 N ATOM 0 H ARG A 109 -4.406 4.056 14.140 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.346 5.613 15.108 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.973 3.467 16.529 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.024 4.695 17.341 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.458 6.433 16.128 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.495 5.108 15.635 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.928 6.106 18.437 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.475 5.975 17.623 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.891 3.699 18.745 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.882 5.016 17.414 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.835 3.591 17.841 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.122 1.885 19.312 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.842 1.823 18.912 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.559 2.358 15.338 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.408 1.464 15.534 1.00 0.00 C ATOM 1627 C PRO A 110 0.766 1.802 14.616 1.00 0.00 C ATOM 1628 O PRO A 110 1.927 1.679 15.007 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.957 0.067 15.208 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.251 0.301 14.504 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.785 1.593 15.049 1.00 0.00 C ATOM 0 HA PRO A 110 -0.011 1.550 16.545 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.263 -0.490 14.579 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.104 -0.518 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.104 0.362 13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.948 -0.517 14.685 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.420 2.105 14.326 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.385 1.436 15.946 1.00 0.00 H new ATOM 1639 N LEU A 111 0.463 2.251 13.405 1.00 0.00 N ATOM 1640 CA LEU A 111 1.496 2.565 12.430 1.00 0.00 C ATOM 1641 C LEU A 111 2.076 3.952 12.685 1.00 0.00 C ATOM 1642 O LEU A 111 3.283 4.166 12.546 1.00 0.00 O ATOM 1643 CB LEU A 111 0.939 2.468 11.008 1.00 0.00 C ATOM 1644 CG LEU A 111 0.365 1.100 10.632 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.049 1.074 9.172 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.376 0.002 10.914 1.00 0.00 C ATOM 0 H LEU A 111 -0.490 2.406 13.076 1.00 0.00 H new ATOM 0 HA LEU A 111 2.299 1.835 12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.158 3.219 10.887 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.733 2.718 10.305 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.520 0.923 11.243 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.454 0.092 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.809 1.835 8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.819 1.276 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.950 -0.963 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.279 0.179 10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.626 0.001 11.975 1.00 0.00 H new ATOM 1658 N LEU A 112 1.221 4.885 13.083 1.00 0.00 N ATOM 1659 CA LEU A 112 1.654 6.244 13.391 1.00 0.00 C ATOM 1660 C LEU A 112 2.587 6.249 14.597 1.00 0.00 C ATOM 1661 O LEU A 112 3.509 7.060 14.680 1.00 0.00 O ATOM 1662 CB LEU A 112 0.447 7.147 13.659 1.00 0.00 C ATOM 1663 CG LEU A 112 -0.520 7.311 12.483 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -1.685 8.202 12.875 1.00 0.00 C ATOM 1665 CD2 LEU A 112 0.199 7.881 11.270 1.00 0.00 C ATOM 0 H LEU A 112 0.220 4.726 13.201 1.00 0.00 H new ATOM 0 HA LEU A 112 2.195 6.631 12.528 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.105 6.746 14.509 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.809 8.133 13.951 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.908 6.327 12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.363 8.308 12.028 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.219 7.755 13.713 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.311 9.184 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.507 7.989 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.617 8.856 11.520 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.002 7.207 10.973 1.00 0.00 H new ATOM 1677 N ALA A 113 2.349 5.325 15.521 1.00 0.00 N ATOM 1678 CA ALA A 113 3.176 5.203 16.716 1.00 0.00 C ATOM 1679 C ALA A 113 4.518 4.547 16.395 1.00 0.00 C ATOM 1680 O ALA A 113 5.420 4.511 17.231 1.00 0.00 O ATOM 1681 CB ALA A 113 2.443 4.414 17.787 1.00 0.00 C ATOM 0 H ALA A 113 1.588 4.648 15.465 1.00 0.00 H new ATOM 0 HA ALA A 113 3.375 6.207 17.092 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.073 4.331 18.673 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.517 4.927 18.047 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.213 3.417 17.411 1.00 0.00 H new ATOM 1687 N MET A 114 4.635 4.015 15.186 1.00 0.00 N ATOM 1688 CA MET A 114 5.894 3.447 14.716 1.00 0.00 C ATOM 1689 C MET A 114 6.637 4.471 13.878 1.00 0.00 C ATOM 1690 O MET A 114 7.845 4.662 14.025 1.00 0.00 O ATOM 1691 CB MET A 114 5.645 2.196 13.870 1.00 0.00 C ATOM 1692 CG MET A 114 5.025 1.041 14.630 1.00 0.00 C ATOM 1693 SD MET A 114 4.700 -0.373 13.558 1.00 0.00 S ATOM 1694 CE MET A 114 3.977 -1.528 14.716 1.00 0.00 C ATOM 0 H MET A 114 3.872 3.964 14.511 1.00 0.00 H new ATOM 0 HA MET A 114 6.490 3.173 15.586 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.993 2.459 13.037 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.592 1.867 13.442 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.692 0.739 15.438 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.093 1.368 15.091 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.723 -2.453 14.197 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.692 -1.742 15.511 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.074 -1.094 15.147 1.00 0.00 H new ATOM 1704 N GLY A 115 5.894 5.139 13.009 1.00 0.00 N ATOM 1705 CA GLY A 115 6.486 6.087 12.094 1.00 0.00 C ATOM 1706 C GLY A 115 6.008 5.884 10.670 1.00 0.00 C ATOM 1707 O GLY A 115 6.550 6.476 9.735 1.00 0.00 O ATOM 0 H GLY A 115 4.883 5.039 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.244 7.100 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.571 5.993 12.128 1.00 0.00 H new ATOM 1711 N VAL A 116 4.986 5.052 10.501 1.00 0.00 N ATOM 1712 CA VAL A 116 4.444 4.753 9.184 1.00 0.00 C ATOM 1713 C VAL A 116 3.200 5.597 8.914 1.00 0.00 C ATOM 1714 O VAL A 116 2.261 5.602 9.710 1.00 0.00 O ATOM 1715 CB VAL A 116 4.076 3.256 9.056 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.626 2.922 7.641 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.248 2.377 9.472 1.00 0.00 C ATOM 0 H VAL A 116 4.515 4.571 11.267 1.00 0.00 H new ATOM 0 HA VAL A 116 5.215 4.991 8.452 1.00 0.00 H new ATOM 0 HB VAL A 116 3.242 3.055 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.374 1.863 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.750 3.519 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.432 3.144 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.969 1.328 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.105 2.585 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.511 2.588 10.509 1.00 0.00 H new ATOM 1727 N GLY A 117 3.204 6.314 7.800 1.00 0.00 N ATOM 1728 CA GLY A 117 2.056 7.120 7.430 1.00 0.00 C ATOM 1729 C GLY A 117 1.137 6.383 6.480 1.00 0.00 C ATOM 1730 O GLY A 117 1.572 5.918 5.428 1.00 0.00 O ATOM 0 H GLY A 117 3.983 6.353 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.504 7.400 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.396 8.045 6.964 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.128 6.266 6.849 1.00 0.00 N ATOM 1735 CA VAL A 118 -1.089 5.519 6.048 1.00 0.00 C ATOM 1736 C VAL A 118 -1.834 6.440 5.090 1.00 0.00 C ATOM 1737 O VAL A 118 -2.569 7.330 5.519 1.00 0.00 O ATOM 1738 CB VAL A 118 -2.119 4.790 6.937 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -3.003 3.876 6.100 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -1.420 4.010 8.039 1.00 0.00 C ATOM 0 H VAL A 118 -0.515 6.678 7.698 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.521 4.782 5.480 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.757 5.539 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.721 3.372 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.537 4.467 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.385 3.133 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.164 3.504 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.753 3.271 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.842 4.695 8.659 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.632 6.225 3.798 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.327 6.989 2.774 1.00 0.00 C ATOM 1752 C GLU A 119 -3.293 6.083 2.018 1.00 0.00 C ATOM 1753 O GLU A 119 -2.904 5.018 1.540 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.323 7.598 1.790 1.00 0.00 C ATOM 1755 CG GLU A 119 -0.298 8.519 2.434 1.00 0.00 C ATOM 1756 CD GLU A 119 -0.892 9.820 2.929 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.209 10.689 2.092 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -1.011 9.997 4.160 1.00 0.00 O ATOM 0 H GLU A 119 -0.988 5.523 3.433 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.883 7.792 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.799 6.791 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.869 8.156 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.172 8.001 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.488 8.738 1.712 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.545 6.499 1.920 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.546 5.746 1.177 1.00 0.00 C ATOM 1767 C ALA A 120 -5.884 6.488 -0.108 1.00 0.00 C ATOM 1768 O ALA A 120 -6.587 7.498 -0.081 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.793 5.532 2.021 1.00 0.00 C ATOM 0 H ALA A 120 -4.895 7.357 2.347 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.143 4.765 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.528 4.968 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.532 4.977 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.214 6.498 2.299 1.00 0.00 H new ATOM 1775 N MET A 121 -5.384 5.993 -1.227 1.00 0.00 N ATOM 1776 CA MET A 121 -5.448 6.744 -2.470 1.00 0.00 C ATOM 1777 C MET A 121 -6.014 5.890 -3.608 1.00 0.00 C ATOM 1778 O MET A 121 -6.173 4.675 -3.466 1.00 0.00 O ATOM 1779 CB MET A 121 -4.043 7.247 -2.820 1.00 0.00 C ATOM 1780 CG MET A 121 -4.018 8.409 -3.799 1.00 0.00 C ATOM 1781 SD MET A 121 -2.342 8.943 -4.202 1.00 0.00 S ATOM 1782 CE MET A 121 -1.722 9.397 -2.584 1.00 0.00 C ATOM 0 H MET A 121 -4.932 5.081 -1.301 1.00 0.00 H new ATOM 0 HA MET A 121 -6.120 7.592 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.540 7.550 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 121 -3.469 6.421 -3.240 1.00 0.00 H new ATOM 0 HG2 MET A 121 -4.533 8.118 -4.715 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.570 9.248 -3.375 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.784 9.941 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.452 10.030 -2.079 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.552 8.497 -1.994 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.331 6.545 -4.723 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.821 5.871 -5.924 1.00 0.00 C ATOM 1794 C ASP A 122 -5.765 4.923 -6.486 1.00 0.00 C ATOM 1795 O ASP A 122 -4.571 5.108 -6.254 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.214 6.911 -6.982 1.00 0.00 C ATOM 1797 CG ASP A 122 -7.409 6.305 -8.359 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -8.447 5.656 -8.586 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -6.507 6.460 -9.213 1.00 0.00 O ATOM 0 H ASP A 122 -6.256 7.558 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.698 5.282 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.135 7.405 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.442 7.679 -7.034 1.00 0.00 H new ATOM 1804 N THR A 123 -6.214 3.917 -7.227 1.00 0.00 N ATOM 1805 CA THR A 123 -5.337 2.903 -7.793 1.00 0.00 C ATOM 1806 C THR A 123 -4.212 3.522 -8.622 1.00 0.00 C ATOM 1807 O THR A 123 -3.035 3.236 -8.400 1.00 0.00 O ATOM 1808 CB THR A 123 -6.140 1.949 -8.688 1.00 0.00 C ATOM 1809 OG1 THR A 123 -7.497 1.905 -8.237 1.00 0.00 O ATOM 1810 CG2 THR A 123 -5.547 0.551 -8.652 1.00 0.00 C ATOM 0 H THR A 123 -7.200 3.782 -7.452 1.00 0.00 H new ATOM 0 HA THR A 123 -4.895 2.359 -6.958 1.00 0.00 H new ATOM 0 HB THR A 123 -6.101 2.316 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.045 1.429 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.132 -0.109 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.517 0.583 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.566 0.174 -7.630 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.577 4.383 -9.565 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.598 4.988 -10.457 1.00 0.00 C ATOM 1820 C GLN A 124 -2.853 6.105 -9.747 1.00 0.00 C ATOM 1821 O GLN A 124 -1.650 6.278 -9.936 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.267 5.534 -11.720 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.836 4.459 -12.629 1.00 0.00 C ATOM 1824 CD GLN A 124 -5.353 5.024 -13.939 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.809 6.166 -13.998 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -5.282 4.233 -14.998 1.00 0.00 N ATOM 0 H GLN A 124 -5.540 4.676 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.889 4.213 -10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.069 6.213 -11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.539 6.121 -12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.065 3.716 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.646 3.943 -12.114 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.897 3.293 -14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -5.612 4.564 -15.905 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.575 6.854 -8.925 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.983 7.950 -8.173 1.00 0.00 C ATOM 1837 C ALA A 125 -1.883 7.446 -7.241 1.00 0.00 C ATOM 1838 O ALA A 125 -0.791 8.016 -7.194 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.052 8.695 -7.389 1.00 0.00 C ATOM 0 H ALA A 125 -4.573 6.722 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.529 8.641 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.592 9.512 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.794 9.098 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.537 8.010 -6.694 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.166 6.368 -6.518 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.192 5.784 -5.603 1.00 0.00 C ATOM 1847 C ALA A 126 -0.004 5.220 -6.369 1.00 0.00 C ATOM 1848 O ALA A 126 1.146 5.431 -5.989 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.837 4.699 -4.752 1.00 0.00 C ATOM 0 H ALA A 126 -3.062 5.881 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.833 6.573 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.093 4.276 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.652 5.129 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.228 3.913 -5.399 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.295 4.513 -7.458 1.00 0.00 N ATOM 1856 CA ALA A 127 0.744 3.933 -8.299 1.00 0.00 C ATOM 1857 C ALA A 127 1.664 5.021 -8.848 1.00 0.00 C ATOM 1858 O ALA A 127 2.886 4.869 -8.858 1.00 0.00 O ATOM 1859 CB ALA A 127 0.119 3.137 -9.437 1.00 0.00 C ATOM 0 H ALA A 127 -1.246 4.329 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 127 1.343 3.257 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.907 2.709 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.495 2.335 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.503 3.796 -10.043 1.00 0.00 H new ATOM 1865 N ARG A 128 1.067 6.123 -9.290 1.00 0.00 N ATOM 1866 CA ARG A 128 1.822 7.248 -9.821 1.00 0.00 C ATOM 1867 C ARG A 128 2.693 7.869 -8.736 1.00 0.00 C ATOM 1868 O ARG A 128 3.897 8.048 -8.919 1.00 0.00 O ATOM 1869 CB ARG A 128 0.881 8.313 -10.387 1.00 0.00 C ATOM 1870 CG ARG A 128 1.613 9.428 -11.116 1.00 0.00 C ATOM 1871 CD ARG A 128 0.762 10.679 -11.235 1.00 0.00 C ATOM 1872 NE ARG A 128 -0.508 10.437 -11.913 1.00 0.00 N ATOM 1873 CZ ARG A 128 -1.005 11.239 -12.851 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -0.284 12.260 -13.301 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -2.209 11.001 -13.355 1.00 0.00 N ATOM 0 H ARG A 128 0.056 6.259 -9.290 1.00 0.00 H new ATOM 0 HA ARG A 128 2.459 6.873 -10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.177 7.840 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.296 8.742 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.535 9.665 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.897 9.086 -12.111 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.567 11.076 -10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.319 11.442 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.043 9.608 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.650 12.429 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.664 12.875 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.752 10.204 -13.023 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.591 11.615 -14.074 1.00 0.00 H new ATOM 1889 N THR A 129 2.071 8.190 -7.604 1.00 0.00 N ATOM 1890 CA THR A 129 2.768 8.816 -6.488 1.00 0.00 C ATOM 1891 C THR A 129 3.917 7.934 -5.998 1.00 0.00 C ATOM 1892 O THR A 129 4.983 8.432 -5.632 1.00 0.00 O ATOM 1893 CB THR A 129 1.792 9.106 -5.329 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.677 9.866 -5.819 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.476 9.877 -4.208 1.00 0.00 C ATOM 0 H THR A 129 1.078 8.025 -7.437 1.00 0.00 H new ATOM 0 HA THR A 129 3.183 9.760 -6.841 1.00 0.00 H new ATOM 0 HB THR A 129 1.449 8.152 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 129 0.068 9.275 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.761 10.065 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.310 9.292 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.847 10.827 -4.593 1.00 0.00 H new ATOM 1903 N TYR A 130 3.696 6.625 -6.016 1.00 0.00 N ATOM 1904 CA TYR A 130 4.723 5.660 -5.643 1.00 0.00 C ATOM 1905 C TYR A 130 5.964 5.817 -6.519 1.00 0.00 C ATOM 1906 O TYR A 130 7.086 5.855 -6.015 1.00 0.00 O ATOM 1907 CB TYR A 130 4.164 4.238 -5.751 1.00 0.00 C ATOM 1908 CG TYR A 130 5.202 3.146 -5.607 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.936 2.999 -4.436 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.441 2.257 -6.647 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.879 1.996 -4.307 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.380 1.253 -6.526 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.099 1.128 -5.356 1.00 0.00 C ATOM 1914 OH TYR A 130 8.036 0.128 -5.234 1.00 0.00 O ATOM 0 H TYR A 130 2.807 6.205 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 130 5.018 5.848 -4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.401 4.101 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.669 4.127 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.767 3.679 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.882 2.353 -7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.440 1.893 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.551 0.568 -7.344 1.00 0.00 H new ATOM 0 HH TYR A 130 7.626 -0.733 -5.459 1.00 0.00 H new ATOM 1924 N ASN A 131 5.754 5.928 -7.827 1.00 0.00 N ATOM 1925 CA ASN A 131 6.858 6.094 -8.771 1.00 0.00 C ATOM 1926 C ASN A 131 7.582 7.413 -8.523 1.00 0.00 C ATOM 1927 O ASN A 131 8.805 7.495 -8.632 1.00 0.00 O ATOM 1928 CB ASN A 131 6.355 6.048 -10.218 1.00 0.00 C ATOM 1929 CG ASN A 131 5.711 4.723 -10.582 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.051 3.677 -10.033 1.00 0.00 O ATOM 1931 ND2 ASN A 131 4.778 4.762 -11.522 1.00 0.00 N ATOM 0 H ASN A 131 4.830 5.906 -8.259 1.00 0.00 H new ATOM 0 HA ASN A 131 7.554 5.269 -8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.633 6.850 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.190 6.237 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.313 3.903 -11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.525 5.651 -11.953 1.00 0.00 H new ATOM 1938 N ILE A 132 6.817 8.439 -8.178 1.00 0.00 N ATOM 1939 CA ILE A 132 7.377 9.759 -7.909 1.00 0.00 C ATOM 1940 C ILE A 132 8.246 9.729 -6.654 1.00 0.00 C ATOM 1941 O ILE A 132 9.371 10.231 -6.649 1.00 0.00 O ATOM 1942 CB ILE A 132 6.261 10.813 -7.748 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.402 10.856 -9.014 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.853 12.187 -7.455 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.171 11.725 -8.890 1.00 0.00 C ATOM 0 H ILE A 132 5.804 8.384 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 132 7.996 10.037 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 132 5.632 10.531 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.010 11.221 -9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.094 9.841 -9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.048 12.914 -7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.432 12.145 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.503 12.486 -8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.615 11.704 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.540 11.349 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.470 12.750 -8.668 1.00 0.00 H new ATOM 1957 N LEU A 133 7.726 9.117 -5.596 1.00 0.00 N ATOM 1958 CA LEU A 133 8.459 9.005 -4.340 1.00 0.00 C ATOM 1959 C LEU A 133 9.650 8.061 -4.491 1.00 0.00 C ATOM 1960 O LEU A 133 10.626 8.151 -3.745 1.00 0.00 O ATOM 1961 CB LEU A 133 7.534 8.518 -3.221 1.00 0.00 C ATOM 1962 CG LEU A 133 6.361 9.447 -2.895 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.487 8.842 -1.811 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.864 10.818 -2.468 1.00 0.00 C ATOM 0 H LEU A 133 6.799 8.691 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 133 8.835 9.994 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.137 7.541 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.127 8.376 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 133 5.760 9.567 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.659 9.516 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.095 7.884 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.079 8.691 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.015 11.463 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.490 10.716 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.448 11.259 -3.276 1.00 0.00 H new ATOM 1976 N MET A 134 9.558 7.160 -5.462 1.00 0.00 N ATOM 1977 CA MET A 134 10.651 6.249 -5.775 1.00 0.00 C ATOM 1978 C MET A 134 11.853 7.030 -6.291 1.00 0.00 C ATOM 1979 O MET A 134 12.980 6.826 -5.843 1.00 0.00 O ATOM 1980 CB MET A 134 10.209 5.228 -6.826 1.00 0.00 C ATOM 1981 CG MET A 134 11.248 4.156 -7.118 1.00 0.00 C ATOM 1982 SD MET A 134 10.805 3.120 -8.527 1.00 0.00 S ATOM 1983 CE MET A 134 9.174 2.562 -8.047 1.00 0.00 C ATOM 0 H MET A 134 8.732 7.041 -6.049 1.00 0.00 H new ATOM 0 HA MET A 134 10.932 5.720 -4.864 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.291 4.748 -6.488 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.973 5.753 -7.752 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.210 4.631 -7.310 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.373 3.528 -6.236 1.00 0.00 H new ATOM 0 HE1 MET A 134 9.008 1.554 -8.426 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.096 2.558 -6.960 1.00 0.00 H new ATOM 0 HE3 MET A 134 8.423 3.234 -8.462 1.00 0.00 H new ATOM 1993 N ALA A 135 11.597 7.943 -7.224 1.00 0.00 N ATOM 1994 CA ALA A 135 12.647 8.781 -7.794 1.00 0.00 C ATOM 1995 C ALA A 135 13.144 9.796 -6.770 1.00 0.00 C ATOM 1996 O ALA A 135 14.257 10.315 -6.878 1.00 0.00 O ATOM 1997 CB ALA A 135 12.139 9.486 -9.043 1.00 0.00 C ATOM 0 H ALA A 135 10.667 8.122 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 135 13.485 8.142 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.932 10.108 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.836 8.744 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.285 10.112 -8.785 1.00 0.00 H new ATOM 2003 N GLU A 136 12.306 10.068 -5.776 1.00 0.00 N ATOM 2004 CA GLU A 136 12.659 10.968 -4.686 1.00 0.00 C ATOM 2005 C GLU A 136 13.578 10.253 -3.691 1.00 0.00 C ATOM 2006 O GLU A 136 14.180 10.881 -2.816 1.00 0.00 O ATOM 2007 CB GLU A 136 11.381 11.462 -3.990 1.00 0.00 C ATOM 2008 CG GLU A 136 11.617 12.519 -2.921 1.00 0.00 C ATOM 2009 CD GLU A 136 10.328 13.064 -2.337 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.742 13.988 -2.939 1.00 0.00 O ATOM 2011 OE2 GLU A 136 9.898 12.579 -1.269 1.00 0.00 O ATOM 0 H GLU A 136 11.368 9.673 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 136 13.194 11.829 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.706 11.868 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.876 10.609 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.220 12.091 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 136 12.192 13.340 -3.349 1.00 0.00 H new ATOM 2018 N GLY A 137 13.688 8.936 -3.841 1.00 0.00 N ATOM 2019 CA GLY A 137 14.520 8.148 -2.952 1.00 0.00 C ATOM 2020 C GLY A 137 13.931 8.060 -1.562 1.00 0.00 C ATOM 2021 O GLY A 137 14.656 7.992 -0.570 1.00 0.00 O ATOM 0 H GLY A 137 13.213 8.399 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.639 7.144 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.515 8.590 -2.898 1.00 0.00 H new ATOM 2025 N ARG A 138 12.610 8.060 -1.494 1.00 0.00 N ATOM 2026 CA ARG A 138 11.915 8.061 -0.222 1.00 0.00 C ATOM 2027 C ARG A 138 11.423 6.659 0.123 1.00 0.00 C ATOM 2028 O ARG A 138 11.135 5.855 -0.767 1.00 0.00 O ATOM 2029 CB ARG A 138 10.745 9.044 -0.274 1.00 0.00 C ATOM 2030 CG ARG A 138 10.089 9.281 1.070 1.00 0.00 C ATOM 2031 CD ARG A 138 9.002 10.332 0.977 1.00 0.00 C ATOM 2032 NE ARG A 138 8.396 10.606 2.277 1.00 0.00 N ATOM 2033 CZ ARG A 138 7.267 11.293 2.435 1.00 0.00 C ATOM 2034 NH1 ARG A 138 6.634 11.793 1.377 1.00 0.00 N ATOM 2035 NH2 ARG A 138 6.772 11.494 3.648 1.00 0.00 N ATOM 0 H ARG A 138 11.997 8.059 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 138 12.608 8.376 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.099 9.996 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.997 8.668 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.664 8.347 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.841 9.596 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.421 11.253 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.233 9.998 0.281 1.00 0.00 H new ATOM 0 HE ARG A 138 8.864 10.251 3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.014 11.650 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.769 12.319 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.257 11.122 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 138 5.907 12.021 3.765 1.00 0.00 H new ATOM 2049 N ARG A 139 11.335 6.365 1.414 1.00 0.00 N ATOM 2050 CA ARG A 139 10.890 5.057 1.870 1.00 0.00 C ATOM 2051 C ARG A 139 9.371 4.939 1.789 1.00 0.00 C ATOM 2052 O ARG A 139 8.646 5.289 2.726 1.00 0.00 O ATOM 2053 CB ARG A 139 11.389 4.796 3.290 1.00 0.00 C ATOM 2054 CG ARG A 139 12.893 4.587 3.360 1.00 0.00 C ATOM 2055 CD ARG A 139 13.417 4.719 4.778 1.00 0.00 C ATOM 2056 NE ARG A 139 13.352 6.101 5.255 1.00 0.00 N ATOM 2057 CZ ARG A 139 14.132 6.595 6.214 1.00 0.00 C ATOM 2058 NH1 ARG A 139 15.071 5.839 6.765 1.00 0.00 N ATOM 2059 NH2 ARG A 139 13.990 7.855 6.600 1.00 0.00 N ATOM 0 H ARG A 139 11.567 7.017 2.164 1.00 0.00 H new ATOM 0 HA ARG A 139 11.314 4.298 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.114 5.637 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.886 3.916 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.141 3.599 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.391 5.315 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.836 4.078 5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 139 14.448 4.369 4.818 1.00 0.00 H new ATOM 0 HE ARG A 139 12.667 6.724 4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 139 15.198 4.876 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.667 6.221 7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 139 13.283 8.446 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 139 14.588 8.234 7.335 1.00 0.00 H new ATOM 2073 N VAL A 140 8.906 4.461 0.647 1.00 0.00 N ATOM 2074 CA VAL A 140 7.485 4.309 0.394 1.00 0.00 C ATOM 2075 C VAL A 140 7.156 2.863 0.031 1.00 0.00 C ATOM 2076 O VAL A 140 7.898 2.209 -0.704 1.00 0.00 O ATOM 2077 CB VAL A 140 7.019 5.260 -0.738 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.843 5.053 -2.002 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.536 5.077 -1.031 1.00 0.00 C ATOM 0 H VAL A 140 9.501 4.169 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 140 6.952 4.572 1.308 1.00 0.00 H new ATOM 0 HB VAL A 140 7.175 6.283 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.494 5.733 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.893 5.254 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.732 4.024 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.236 5.756 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.351 4.049 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.958 5.295 -0.133 1.00 0.00 H new ATOM 2089 N VAL A 141 6.062 2.363 0.584 1.00 0.00 N ATOM 2090 CA VAL A 141 5.571 1.035 0.254 1.00 0.00 C ATOM 2091 C VAL A 141 4.206 1.164 -0.405 1.00 0.00 C ATOM 2092 O VAL A 141 3.354 1.909 0.078 1.00 0.00 O ATOM 2093 CB VAL A 141 5.451 0.138 1.509 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.056 -1.282 1.129 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.749 0.137 2.302 1.00 0.00 C ATOM 0 H VAL A 141 5.494 2.862 1.269 1.00 0.00 H new ATOM 0 HA VAL A 141 6.285 0.566 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 141 4.665 0.552 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.979 -1.891 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 141 4.094 -1.267 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.812 -1.706 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.639 -0.501 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.557 -0.242 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.982 1.153 2.619 1.00 0.00 H new ATOM 2105 N VAL A 142 4.000 0.466 -1.510 1.00 0.00 N ATOM 2106 CA VAL A 142 2.742 0.570 -2.232 1.00 0.00 C ATOM 2107 C VAL A 142 1.940 -0.724 -2.118 1.00 0.00 C ATOM 2108 O VAL A 142 2.485 -1.820 -2.248 1.00 0.00 O ATOM 2109 CB VAL A 142 2.966 0.928 -3.720 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.698 -0.185 -4.454 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.648 1.253 -4.407 1.00 0.00 C ATOM 0 H VAL A 142 4.680 -0.172 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 142 2.173 1.378 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 142 3.595 1.818 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.839 0.099 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.669 -0.351 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.111 -1.102 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.834 1.501 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.986 0.389 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.179 2.102 -3.910 1.00 0.00 H new ATOM 2121 N ALA A 143 0.652 -0.583 -1.850 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.250 -1.718 -1.780 1.00 0.00 C ATOM 2123 C ALA A 143 -1.446 -1.477 -2.687 1.00 0.00 C ATOM 2124 O ALA A 143 -2.240 -0.572 -2.447 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.707 -1.949 -0.346 1.00 0.00 C ATOM 0 H ALA A 143 0.205 0.317 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 143 0.277 -2.611 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.383 -2.804 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 143 0.160 -2.147 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.226 -1.062 0.018 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.564 -2.271 -3.737 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.630 -2.080 -4.708 1.00 0.00 C ATOM 2133 C LEU A 144 -3.650 -3.205 -4.633 1.00 0.00 C ATOM 2134 O LEU A 144 -3.290 -4.387 -4.647 1.00 0.00 O ATOM 2135 CB LEU A 144 -2.056 -1.983 -6.124 1.00 0.00 C ATOM 2136 CG LEU A 144 -1.146 -0.778 -6.381 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.602 -0.812 -7.801 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.898 0.523 -6.131 1.00 0.00 C ATOM 0 H LEU A 144 -0.939 -3.051 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.136 -1.145 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.494 -2.893 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.884 -1.950 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.306 -0.830 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.042 0.052 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -0.027 -1.726 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -1.431 -0.786 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -1.236 1.368 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.758 0.581 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.240 0.553 -5.096 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.919 -2.821 -4.537 1.00 0.00 N ATOM 2151 CA LEU A 145 -6.023 -3.771 -4.509 1.00 0.00 C ATOM 2152 C LEU A 145 -6.734 -3.802 -5.863 1.00 0.00 C ATOM 2153 O LEU A 145 -7.551 -2.931 -6.160 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.027 -3.381 -3.417 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.457 -3.289 -2.000 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.489 -2.715 -1.046 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.000 -4.654 -1.519 1.00 0.00 C ATOM 0 H LEU A 145 -5.209 -1.845 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.619 -4.760 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.464 -2.417 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.838 -4.109 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.595 -2.622 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.065 -2.657 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.775 -1.717 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.369 -3.358 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -5.598 -4.568 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -6.847 -5.341 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.227 -5.035 -2.186 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.418 -4.790 -6.712 1.00 0.00 N ATOM 2170 CA PRO A 146 -7.040 -4.926 -8.025 1.00 0.00 C ATOM 2171 C PRO A 146 -8.375 -5.664 -7.958 1.00 0.00 C ATOM 2172 O PRO A 146 -8.787 -6.139 -6.894 1.00 0.00 O ATOM 2173 CB PRO A 146 -6.014 -5.744 -8.798 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.379 -6.617 -7.768 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.426 -5.853 -6.466 1.00 0.00 C ATOM 0 HA PRO A 146 -7.274 -3.963 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.487 -6.335 -9.582 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.278 -5.102 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -5.912 -7.564 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.351 -6.854 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -5.726 -6.495 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.451 -5.438 -6.211 1.00 0.00 H new