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 121 MET CE :methyl -155:sc= -0.794 (180deg=-1.93) USER MOD Set 1.2: A 129 THR OG1 : rot 86:sc= 1.3 USER MOD Set 2.1: A 31 HIS : no HE2:sc= 0.727 K(o=1.7,f=-3.4!) USER MOD Set 2.2: A 43 SER OG : rot -111:sc= 0.953 USER MOD Set 3.1: A 13 THR OG1 : rot -70:sc= 1.21 USER MOD Set 3.2: A 134 MET CE :methyl 137:sc= -0.437 (180deg=-1.52!) USER MOD Single : A 12 ASN : amide:sc= -1.5! C(o=-1.5!,f=-1.9!) USER MOD Single : A 15 THR OG1 : rot 52:sc= -0.077! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 25 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.046) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.45 F(o=-1.1,f=-0.45) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 96 THR OG1 : rot 70:sc= -2.66! USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 107 GLN : amide:sc= 0.977 K(o=0.98,f=-4.7!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -130:sc= -1.01 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 130 TYR OH : rot -130:sc= -0.158 USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 13.896 -1.965 -7.274 1.00 0.00 N ATOM 154 CA LEU A 11 13.072 -0.768 -7.388 1.00 0.00 C ATOM 155 C LEU A 11 11.607 -1.120 -7.168 1.00 0.00 C ATOM 156 O LEU A 11 10.856 -0.337 -6.591 1.00 0.00 O ATOM 157 CB LEU A 11 13.241 -0.118 -8.768 1.00 0.00 C ATOM 158 CG LEU A 11 14.568 0.607 -9.007 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.669 1.066 -10.453 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.704 1.795 -8.065 1.00 0.00 C ATOM 0 HA LEU A 11 13.395 -0.059 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.129 -0.891 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.429 0.594 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 11 15.382 -0.090 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.618 1.580 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.614 0.201 -11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.848 1.747 -10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.653 2.298 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.884 2.492 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.672 1.446 -7.033 1.00 0.00 H new ATOM 172 N ASN A 12 11.219 -2.306 -7.645 1.00 0.00 N ATOM 173 CA ASN A 12 9.846 -2.806 -7.508 1.00 0.00 C ATOM 174 C ASN A 12 8.858 -1.920 -8.261 1.00 0.00 C ATOM 175 O ASN A 12 7.667 -1.905 -7.960 1.00 0.00 O ATOM 176 CB ASN A 12 9.438 -2.916 -6.031 1.00 0.00 C ATOM 177 CG ASN A 12 10.190 -4.003 -5.285 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.350 -4.294 -5.575 1.00 0.00 O ATOM 179 ND2 ASN A 12 9.527 -4.622 -4.320 1.00 0.00 N ATOM 0 H ASN A 12 11.844 -2.945 -8.135 1.00 0.00 H new ATOM 0 HA ASN A 12 9.820 -3.803 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.613 -1.959 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.368 -3.115 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.977 -5.367 -3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.566 -4.353 -4.108 1.00 0.00 H new ATOM 186 N THR A 13 9.360 -1.207 -9.260 1.00 0.00 N ATOM 187 CA THR A 13 8.536 -0.320 -10.065 1.00 0.00 C ATOM 188 C THR A 13 7.442 -1.096 -10.799 1.00 0.00 C ATOM 189 O THR A 13 7.678 -2.201 -11.293 1.00 0.00 O ATOM 190 CB THR A 13 9.395 0.417 -11.105 1.00 0.00 C ATOM 191 OG1 THR A 13 10.643 0.809 -10.518 1.00 0.00 O ATOM 192 CG2 THR A 13 8.672 1.647 -11.634 1.00 0.00 C ATOM 0 H THR A 13 10.343 -1.227 -9.533 1.00 0.00 H new ATOM 0 HA THR A 13 8.075 0.398 -9.387 1.00 0.00 H new ATOM 0 HB THR A 13 9.579 -0.262 -11.937 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.488 1.525 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.301 2.151 -12.368 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.736 1.345 -12.104 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.461 2.328 -10.809 1.00 0.00 H new ATOM 200 N VAL A 14 6.248 -0.519 -10.853 1.00 0.00 N ATOM 201 CA VAL A 14 5.159 -1.096 -11.626 1.00 0.00 C ATOM 202 C VAL A 14 5.507 -1.055 -13.110 1.00 0.00 C ATOM 203 O VAL A 14 5.452 0.003 -13.742 1.00 0.00 O ATOM 204 CB VAL A 14 3.833 -0.345 -11.384 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.703 -0.971 -12.185 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.494 -0.323 -9.900 1.00 0.00 C ATOM 0 H VAL A 14 6.011 0.348 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 14 5.026 -2.128 -11.303 1.00 0.00 H new ATOM 0 HB VAL A 14 3.957 0.684 -11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.778 -0.425 -11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.942 -0.927 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.577 -2.011 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.556 0.211 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.393 -1.345 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.290 0.181 -9.352 1.00 0.00 H new ATOM 216 N THR A 15 5.896 -2.200 -13.652 1.00 0.00 N ATOM 217 CA THR A 15 6.318 -2.286 -15.040 1.00 0.00 C ATOM 218 C THR A 15 5.148 -2.106 -16.003 1.00 0.00 C ATOM 219 O THR A 15 5.308 -1.527 -17.078 1.00 0.00 O ATOM 220 CB THR A 15 7.039 -3.619 -15.315 1.00 0.00 C ATOM 221 OG1 THR A 15 6.543 -4.640 -14.435 1.00 0.00 O ATOM 222 CG2 THR A 15 8.541 -3.468 -15.127 1.00 0.00 C ATOM 0 H THR A 15 5.928 -3.086 -13.147 1.00 0.00 H new ATOM 0 HA THR A 15 7.018 -1.468 -15.213 1.00 0.00 H new ATOM 0 HB THR A 15 6.843 -3.906 -16.348 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.565 -4.672 -14.490 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.030 -4.421 -15.326 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.920 -2.714 -15.817 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.750 -3.160 -14.103 1.00 0.00 H new ATOM 230 N ALA A 16 3.972 -2.588 -15.616 1.00 0.00 N ATOM 231 CA ALA A 16 2.784 -2.438 -16.445 1.00 0.00 C ATOM 232 C ALA A 16 1.516 -2.474 -15.602 1.00 0.00 C ATOM 233 O ALA A 16 1.462 -3.134 -14.562 1.00 0.00 O ATOM 234 CB ALA A 16 2.735 -3.517 -17.516 1.00 0.00 C ATOM 0 H ALA A 16 3.817 -3.083 -14.738 1.00 0.00 H new ATOM 0 HA ALA A 16 2.841 -1.465 -16.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.840 -3.386 -18.124 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.618 -3.441 -18.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.712 -4.499 -17.043 1.00 0.00 H new ATOM 240 N TYR A 17 0.501 -1.758 -16.056 1.00 0.00 N ATOM 241 CA TYR A 17 -0.786 -1.725 -15.381 1.00 0.00 C ATOM 242 C TYR A 17 -1.859 -2.234 -16.332 1.00 0.00 C ATOM 243 O TYR A 17 -1.915 -1.810 -17.487 1.00 0.00 O ATOM 244 CB TYR A 17 -1.108 -0.297 -14.925 1.00 0.00 C ATOM 245 CG TYR A 17 -2.356 -0.182 -14.072 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.298 -0.385 -12.699 1.00 0.00 C ATOM 247 CD2 TYR A 17 -3.586 0.135 -14.637 1.00 0.00 C ATOM 248 CE1 TYR A 17 -3.429 -0.273 -11.914 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.722 0.247 -13.857 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.637 0.041 -12.496 1.00 0.00 C ATOM 251 OH TYR A 17 -5.763 0.157 -11.711 1.00 0.00 O ATOM 0 H TYR A 17 0.545 -1.186 -16.899 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.753 -2.364 -14.499 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.260 0.092 -14.362 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.224 0.336 -15.805 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.354 -0.634 -12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.655 0.296 -15.703 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.366 -0.431 -10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.670 0.494 -14.311 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.532 0.384 -12.274 1.00 0.00 H new ATOM 261 N GLY A 18 -2.702 -3.139 -15.858 1.00 0.00 N ATOM 262 CA GLY A 18 -3.701 -3.725 -16.723 1.00 0.00 C ATOM 263 C GLY A 18 -5.070 -3.770 -16.085 1.00 0.00 C ATOM 264 O GLY A 18 -5.243 -3.360 -14.938 1.00 0.00 O ATOM 0 H GLY A 18 -2.712 -3.476 -14.895 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.755 -3.153 -17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.396 -4.737 -16.991 1.00 0.00 H new ATOM 268 N ASP A 19 -6.038 -4.276 -16.835 1.00 0.00 N ATOM 269 CA ASP A 19 -7.411 -4.368 -16.374 1.00 0.00 C ATOM 270 C ASP A 19 -7.552 -5.396 -15.258 1.00 0.00 C ATOM 271 O ASP A 19 -7.608 -6.602 -15.516 1.00 0.00 O ATOM 272 CB ASP A 19 -8.324 -4.748 -17.541 1.00 0.00 C ATOM 273 CG ASP A 19 -8.333 -3.713 -18.647 1.00 0.00 C ATOM 274 OD1 ASP A 19 -7.396 -3.712 -19.479 1.00 0.00 O ATOM 275 OD2 ASP A 19 -9.281 -2.908 -18.707 1.00 0.00 O ATOM 0 H ASP A 19 -5.892 -4.633 -17.779 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.702 -3.394 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.002 -5.706 -17.950 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.340 -4.885 -17.171 1.00 0.00 H new ATOM 280 N GLY A 20 -7.582 -4.917 -14.022 1.00 0.00 N ATOM 281 CA GLY A 20 -7.807 -5.794 -12.891 1.00 0.00 C ATOM 282 C GLY A 20 -6.552 -6.494 -12.417 1.00 0.00 C ATOM 283 O GLY A 20 -6.630 -7.472 -11.672 1.00 0.00 O ATOM 0 H GLY A 20 -7.454 -3.934 -13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.224 -5.214 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.551 -6.542 -13.163 1.00 0.00 H new ATOM 287 N TYR A 21 -5.391 -6.009 -12.842 1.00 0.00 N ATOM 288 CA TYR A 21 -4.133 -6.608 -12.422 1.00 0.00 C ATOM 289 C TYR A 21 -2.983 -5.620 -12.552 1.00 0.00 C ATOM 290 O TYR A 21 -3.012 -4.712 -13.386 1.00 0.00 O ATOM 291 CB TYR A 21 -3.825 -7.874 -13.238 1.00 0.00 C ATOM 292 CG TYR A 21 -3.430 -7.617 -14.679 1.00 0.00 C ATOM 293 CD1 TYR A 21 -2.109 -7.342 -15.015 1.00 0.00 C ATOM 294 CD2 TYR A 21 -4.371 -7.652 -15.699 1.00 0.00 C ATOM 295 CE1 TYR A 21 -1.738 -7.112 -16.323 1.00 0.00 C ATOM 296 CE2 TYR A 21 -4.005 -7.423 -17.013 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.689 -7.150 -17.317 1.00 0.00 C ATOM 298 OH TYR A 21 -2.312 -6.930 -18.621 1.00 0.00 O ATOM 0 H TYR A 21 -5.296 -5.211 -13.470 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.239 -6.883 -11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.020 -8.420 -12.746 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.702 -8.521 -13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.360 -7.308 -14.238 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.404 -7.861 -15.463 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.707 -6.903 -16.566 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.747 -7.458 -17.797 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.098 -6.991 -19.203 1.00 0.00 H new ATOM 308 N ILE A 22 -1.973 -5.804 -11.719 1.00 0.00 N ATOM 309 CA ILE A 22 -0.748 -5.030 -11.808 1.00 0.00 C ATOM 310 C ILE A 22 0.396 -5.954 -12.210 1.00 0.00 C ATOM 311 O ILE A 22 0.681 -6.931 -11.519 1.00 0.00 O ATOM 312 CB ILE A 22 -0.404 -4.316 -10.472 1.00 0.00 C ATOM 313 CG1 ILE A 22 -1.399 -3.185 -10.168 1.00 0.00 C ATOM 314 CG2 ILE A 22 1.011 -3.763 -10.505 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.752 -3.655 -9.678 1.00 0.00 C ATOM 0 H ILE A 22 -1.979 -6.491 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.894 -4.254 -12.559 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.476 -5.059 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.963 -2.527 -9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.540 -2.590 -11.070 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.230 -3.267 -9.559 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.717 -4.579 -10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.102 -3.045 -11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.390 -2.792 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.214 -4.288 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.628 -4.224 -8.757 1.00 0.00 H new ATOM 327 N GLU A 23 1.035 -5.661 -13.332 1.00 0.00 N ATOM 328 CA GLU A 23 2.088 -6.522 -13.846 1.00 0.00 C ATOM 329 C GLU A 23 3.457 -5.997 -13.441 1.00 0.00 C ATOM 330 O GLU A 23 3.901 -4.945 -13.909 1.00 0.00 O ATOM 331 CB GLU A 23 2.004 -6.638 -15.370 1.00 0.00 C ATOM 332 CG GLU A 23 3.078 -7.535 -15.965 1.00 0.00 C ATOM 333 CD GLU A 23 3.048 -7.569 -17.479 1.00 0.00 C ATOM 334 OE1 GLU A 23 3.670 -6.684 -18.110 1.00 0.00 O ATOM 335 OE2 GLU A 23 2.419 -8.484 -18.041 1.00 0.00 O ATOM 0 H GLU A 23 0.844 -4.837 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 23 1.949 -7.513 -13.414 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.023 -7.026 -15.644 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.087 -5.643 -15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.057 -7.189 -15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.952 -8.547 -15.582 1.00 0.00 H new ATOM 342 N VAL A 24 4.115 -6.729 -12.560 1.00 0.00 N ATOM 343 CA VAL A 24 5.458 -6.383 -12.133 1.00 0.00 C ATOM 344 C VAL A 24 6.410 -7.522 -12.474 1.00 0.00 C ATOM 345 O VAL A 24 6.212 -8.651 -12.030 1.00 0.00 O ATOM 346 CB VAL A 24 5.527 -6.086 -10.617 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.937 -5.682 -10.206 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.529 -5.002 -10.234 1.00 0.00 C ATOM 0 H VAL A 24 3.738 -7.571 -12.125 1.00 0.00 H new ATOM 0 HA VAL A 24 5.750 -5.475 -12.661 1.00 0.00 H new ATOM 0 HB VAL A 24 5.265 -6.999 -10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.960 -5.478 -9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.629 -6.492 -10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.233 -4.786 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.595 -4.809 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.757 -4.088 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.520 -5.332 -10.482 1.00 0.00 H new ATOM 358 N ASN A 25 7.410 -7.220 -13.299 1.00 0.00 N ATOM 359 CA ASN A 25 8.429 -8.200 -13.689 1.00 0.00 C ATOM 360 C ASN A 25 7.786 -9.350 -14.470 1.00 0.00 C ATOM 361 O ASN A 25 8.102 -10.519 -14.259 1.00 0.00 O ATOM 362 CB ASN A 25 9.168 -8.729 -12.444 1.00 0.00 C ATOM 363 CG ASN A 25 10.509 -9.373 -12.766 1.00 0.00 C ATOM 364 OD1 ASN A 25 11.536 -8.695 -12.813 1.00 0.00 O ATOM 365 ND2 ASN A 25 10.517 -10.681 -12.972 1.00 0.00 N ATOM 0 H ASN A 25 7.539 -6.298 -13.715 1.00 0.00 H new ATOM 0 HA ASN A 25 9.158 -7.711 -14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.326 -7.906 -11.747 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.535 -9.458 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.394 -11.160 -13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.646 -11.210 -12.925 1.00 0.00 H new ATOM 372 N GLN A 26 6.869 -8.990 -15.377 1.00 0.00 N ATOM 373 CA GLN A 26 6.167 -9.958 -16.228 1.00 0.00 C ATOM 374 C GLN A 26 5.240 -10.869 -15.427 1.00 0.00 C ATOM 375 O GLN A 26 4.717 -11.854 -15.954 1.00 0.00 O ATOM 376 CB GLN A 26 7.161 -10.786 -17.049 1.00 0.00 C ATOM 377 CG GLN A 26 7.697 -10.043 -18.260 1.00 0.00 C ATOM 378 CD GLN A 26 6.617 -9.784 -19.291 1.00 0.00 C ATOM 379 OE1 GLN A 26 5.911 -8.673 -19.146 1.00 0.00 O flip ATOM 380 NE2 GLN A 26 6.410 -10.585 -20.203 1.00 0.00 N flip ATOM 0 H GLN A 26 6.594 -8.022 -15.541 1.00 0.00 H new ATOM 0 HA GLN A 26 5.542 -9.384 -16.912 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.995 -11.079 -16.411 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.675 -11.704 -17.379 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.129 -9.094 -17.941 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.501 -10.622 -18.714 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.977 -11.429 -20.279 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.671 -10.404 -20.883 1.00 0.00 H new ATOM 389 N VAL A 27 5.025 -10.534 -14.167 1.00 0.00 N ATOM 390 CA VAL A 27 4.091 -11.266 -13.335 1.00 0.00 C ATOM 391 C VAL A 27 2.833 -10.437 -13.125 1.00 0.00 C ATOM 392 O VAL A 27 2.885 -9.356 -12.537 1.00 0.00 O ATOM 393 CB VAL A 27 4.705 -11.624 -11.962 1.00 0.00 C ATOM 394 CG1 VAL A 27 3.742 -12.476 -11.149 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.037 -12.338 -12.138 1.00 0.00 C ATOM 0 H VAL A 27 5.488 -9.756 -13.697 1.00 0.00 H new ATOM 0 HA VAL A 27 3.847 -12.196 -13.849 1.00 0.00 H new ATOM 0 HB VAL A 27 4.885 -10.697 -11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.193 -12.717 -10.186 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.816 -11.925 -10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.526 -13.398 -11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.452 -12.581 -11.160 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.886 -13.256 -12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.729 -11.689 -12.675 1.00 0.00 H new ATOM 405 N ARG A 28 1.711 -10.926 -13.631 1.00 0.00 N ATOM 406 CA ARG A 28 0.447 -10.225 -13.480 1.00 0.00 C ATOM 407 C ARG A 28 -0.151 -10.529 -12.116 1.00 0.00 C ATOM 408 O ARG A 28 -0.705 -11.608 -11.892 1.00 0.00 O ATOM 409 CB ARG A 28 -0.541 -10.627 -14.580 1.00 0.00 C ATOM 410 CG ARG A 28 0.033 -10.562 -15.987 1.00 0.00 C ATOM 411 CD ARG A 28 -1.053 -10.750 -17.035 1.00 0.00 C ATOM 412 NE ARG A 28 -0.505 -11.077 -18.351 1.00 0.00 N ATOM 413 CZ ARG A 28 -0.158 -10.174 -19.271 1.00 0.00 C ATOM 414 NH1 ARG A 28 -0.287 -8.880 -19.020 1.00 0.00 N ATOM 415 NH2 ARG A 28 0.314 -10.571 -20.449 1.00 0.00 N ATOM 0 H ARG A 28 1.651 -11.803 -14.148 1.00 0.00 H new ATOM 0 HA ARG A 28 0.638 -9.155 -13.566 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.888 -11.642 -14.388 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.413 -9.976 -14.525 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.525 -9.601 -16.138 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.795 -11.332 -16.107 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.728 -11.545 -16.717 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.646 -9.839 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.379 -12.063 -18.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.653 -8.569 -18.120 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.020 -8.194 -19.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.411 -11.566 -20.650 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.579 -9.880 -21.151 1.00 0.00 H new ATOM 429 N PHE A 29 -0.016 -9.593 -11.195 1.00 0.00 N ATOM 430 CA PHE A 29 -0.543 -9.772 -9.857 1.00 0.00 C ATOM 431 C PHE A 29 -2.028 -9.447 -9.819 1.00 0.00 C ATOM 432 O PHE A 29 -2.423 -8.301 -9.597 1.00 0.00 O ATOM 433 CB PHE A 29 0.210 -8.903 -8.847 1.00 0.00 C ATOM 434 CG PHE A 29 1.640 -9.311 -8.638 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.968 -10.258 -7.682 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.657 -8.745 -9.390 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.282 -10.632 -7.478 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.973 -9.118 -9.191 1.00 0.00 C ATOM 439 CZ PHE A 29 4.285 -10.062 -8.235 1.00 0.00 C ATOM 0 H PHE A 29 0.454 -8.701 -11.350 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.403 -10.817 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.184 -7.867 -9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.311 -8.940 -7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.187 -10.710 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.419 -8.005 -10.139 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.524 -11.370 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.757 -8.670 -9.784 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.313 -10.355 -8.079 1.00 0.00 H new ATOM 449 N SER A 30 -2.846 -10.454 -10.070 1.00 0.00 N ATOM 450 CA SER A 30 -4.287 -10.313 -9.970 1.00 0.00 C ATOM 451 C SER A 30 -4.739 -10.570 -8.535 1.00 0.00 C ATOM 452 O SER A 30 -5.612 -11.394 -8.284 1.00 0.00 O ATOM 453 CB SER A 30 -4.977 -11.285 -10.928 1.00 0.00 C ATOM 454 OG SER A 30 -4.515 -11.102 -12.256 1.00 0.00 O ATOM 0 H SER A 30 -2.533 -11.385 -10.347 1.00 0.00 H new ATOM 0 HA SER A 30 -4.564 -9.296 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.787 -12.310 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.056 -11.134 -10.890 1.00 0.00 H new ATOM 0 HG SER A 30 -4.969 -11.735 -12.850 1.00 0.00 H new ATOM 460 N HIS A 31 -4.110 -9.870 -7.599 1.00 0.00 N ATOM 461 CA HIS A 31 -4.448 -9.965 -6.183 1.00 0.00 C ATOM 462 C HIS A 31 -3.754 -8.840 -5.433 1.00 0.00 C ATOM 463 O HIS A 31 -2.751 -8.311 -5.914 1.00 0.00 O ATOM 464 CB HIS A 31 -4.056 -11.333 -5.592 1.00 0.00 C ATOM 465 CG HIS A 31 -2.593 -11.663 -5.667 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.062 -12.512 -6.612 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.555 -11.271 -4.893 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.762 -12.627 -6.417 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.424 -11.885 -5.378 1.00 0.00 N ATOM 0 H HIS A 31 -3.350 -9.220 -7.800 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.529 -9.871 -6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.366 -11.363 -4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.615 -12.110 -6.113 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.591 -12.979 -7.348 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.605 -10.599 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.087 -13.228 -7.008 1.00 0.00 H new ATOM 478 N ALA A 32 -4.290 -8.476 -4.274 1.00 0.00 N ATOM 479 CA ALA A 32 -3.744 -7.378 -3.484 1.00 0.00 C ATOM 480 C ALA A 32 -2.271 -7.612 -3.154 1.00 0.00 C ATOM 481 O ALA A 32 -1.887 -8.694 -2.703 1.00 0.00 O ATOM 482 CB ALA A 32 -4.561 -7.191 -2.217 1.00 0.00 C ATOM 0 H ALA A 32 -5.105 -8.927 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.805 -6.465 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.145 -6.369 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.594 -6.963 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.531 -8.106 -1.626 1.00 0.00 H new ATOM 488 N ILE A 33 -1.452 -6.599 -3.406 1.00 0.00 N ATOM 489 CA ILE A 33 -0.012 -6.694 -3.203 1.00 0.00 C ATOM 490 C ILE A 33 0.541 -5.428 -2.562 1.00 0.00 C ATOM 491 O ILE A 33 0.178 -4.314 -2.941 1.00 0.00 O ATOM 492 CB ILE A 33 0.738 -6.945 -4.530 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.270 -5.956 -5.606 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.541 -8.379 -4.990 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.028 -6.067 -6.911 1.00 0.00 C ATOM 0 H ILE A 33 -1.765 -5.693 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 33 0.149 -7.541 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 33 1.803 -6.786 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.791 -6.118 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.373 -4.941 -5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.076 -8.538 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.926 -9.061 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.521 -8.569 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.640 -5.336 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.086 -5.875 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.905 -7.070 -7.319 1.00 0.00 H new ATOM 507 N ALA A 34 1.410 -5.610 -1.585 1.00 0.00 N ATOM 508 CA ALA A 34 2.084 -4.501 -0.933 1.00 0.00 C ATOM 509 C ALA A 34 3.593 -4.650 -1.085 1.00 0.00 C ATOM 510 O ALA A 34 4.183 -5.595 -0.564 1.00 0.00 O ATOM 511 CB ALA A 34 1.690 -4.441 0.532 1.00 0.00 C ATOM 0 H ALA A 34 1.668 -6.527 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 34 1.781 -3.567 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.201 -3.606 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.612 -4.302 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.974 -5.371 1.024 1.00 0.00 H new ATOM 517 N PHE A 35 4.215 -3.730 -1.807 1.00 0.00 N ATOM 518 CA PHE A 35 5.634 -3.850 -2.114 1.00 0.00 C ATOM 519 C PHE A 35 6.353 -2.510 -2.000 1.00 0.00 C ATOM 520 O PHE A 35 5.752 -1.447 -2.176 1.00 0.00 O ATOM 521 CB PHE A 35 5.834 -4.450 -3.513 1.00 0.00 C ATOM 522 CG PHE A 35 5.087 -3.737 -4.609 1.00 0.00 C ATOM 523 CD1 PHE A 35 3.773 -4.068 -4.899 1.00 0.00 C ATOM 524 CD2 PHE A 35 5.702 -2.742 -5.352 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.087 -3.418 -5.908 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.019 -2.091 -6.363 1.00 0.00 C ATOM 527 CZ PHE A 35 3.711 -2.430 -6.641 1.00 0.00 C ATOM 0 H PHE A 35 3.765 -2.898 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 35 6.073 -4.522 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.898 -4.441 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.520 -5.494 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.279 -4.842 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.726 -2.472 -5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.062 -3.684 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.510 -1.317 -6.935 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.177 -1.923 -7.431 1.00 0.00 H new ATOM 537 N ALA A 36 7.644 -2.581 -1.703 1.00 0.00 N ATOM 538 CA ALA A 36 8.474 -1.396 -1.539 1.00 0.00 C ATOM 539 C ALA A 36 9.841 -1.621 -2.174 1.00 0.00 C ATOM 540 O ALA A 36 10.285 -2.758 -2.274 1.00 0.00 O ATOM 541 CB ALA A 36 8.625 -1.073 -0.063 1.00 0.00 C ATOM 0 H ALA A 36 8.144 -3.460 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 36 7.994 -0.554 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.247 -0.185 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.643 -0.887 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.094 -1.914 0.447 1.00 0.00 H new ATOM 547 N PRO A 37 10.536 -0.546 -2.588 1.00 0.00 N ATOM 548 CA PRO A 37 11.852 -0.652 -3.246 1.00 0.00 C ATOM 549 C PRO A 37 12.911 -1.315 -2.363 1.00 0.00 C ATOM 550 O PRO A 37 13.983 -1.698 -2.840 1.00 0.00 O ATOM 551 CB PRO A 37 12.235 0.808 -3.526 1.00 0.00 C ATOM 552 CG PRO A 37 10.951 1.562 -3.483 1.00 0.00 C ATOM 553 CD PRO A 37 10.096 0.854 -2.471 1.00 0.00 C ATOM 0 HA PRO A 37 11.799 -1.277 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.936 1.181 -2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.719 0.909 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.117 2.601 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.471 1.573 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.254 1.244 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.034 0.963 -2.692 1.00 0.00 H new ATOM 561 N GLU A 38 12.614 -1.443 -1.074 1.00 0.00 N ATOM 562 CA GLU A 38 13.532 -2.070 -0.135 1.00 0.00 C ATOM 563 C GLU A 38 12.872 -3.257 0.561 1.00 0.00 C ATOM 564 O GLU A 38 13.297 -3.674 1.641 1.00 0.00 O ATOM 565 CB GLU A 38 14.010 -1.055 0.906 1.00 0.00 C ATOM 566 CG GLU A 38 14.702 0.154 0.303 1.00 0.00 C ATOM 567 CD GLU A 38 15.571 0.881 1.304 1.00 0.00 C ATOM 568 OE1 GLU A 38 16.756 0.503 1.432 1.00 0.00 O ATOM 569 OE2 GLU A 38 15.083 1.821 1.960 1.00 0.00 O ATOM 0 H GLU A 38 11.741 -1.119 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 38 14.392 -2.432 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.155 -0.719 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.695 -1.549 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.314 -0.165 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.952 0.841 -0.089 1.00 0.00 H new ATOM 576 N GLY A 39 11.843 -3.810 -0.067 1.00 0.00 N ATOM 577 CA GLY A 39 11.131 -4.926 0.521 1.00 0.00 C ATOM 578 C GLY A 39 10.548 -5.853 -0.526 1.00 0.00 C ATOM 579 O GLY A 39 10.531 -5.519 -1.711 1.00 0.00 O ATOM 0 H GLY A 39 11.489 -3.505 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.809 -5.488 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.329 -4.549 1.156 1.00 0.00 H new ATOM 583 N PRO A 40 10.066 -7.032 -0.121 1.00 0.00 N ATOM 584 CA PRO A 40 9.461 -7.994 -1.042 1.00 0.00 C ATOM 585 C PRO A 40 8.026 -7.616 -1.406 1.00 0.00 C ATOM 586 O PRO A 40 7.455 -6.679 -0.841 1.00 0.00 O ATOM 587 CB PRO A 40 9.488 -9.296 -0.244 1.00 0.00 C ATOM 588 CG PRO A 40 9.391 -8.867 1.180 1.00 0.00 C ATOM 589 CD PRO A 40 10.077 -7.528 1.269 1.00 0.00 C ATOM 0 HA PRO A 40 9.990 -8.049 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.658 -9.947 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.406 -9.855 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.350 -8.791 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.869 -9.593 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.547 -6.851 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.093 -7.624 1.651 1.00 0.00 H new ATOM 597 N VAL A 41 7.452 -8.334 -2.356 1.00 0.00 N ATOM 598 CA VAL A 41 6.071 -8.113 -2.746 1.00 0.00 C ATOM 599 C VAL A 41 5.143 -8.943 -1.866 1.00 0.00 C ATOM 600 O VAL A 41 4.929 -10.131 -2.115 1.00 0.00 O ATOM 601 CB VAL A 41 5.829 -8.467 -4.231 1.00 0.00 C ATOM 602 CG1 VAL A 41 4.399 -8.147 -4.637 1.00 0.00 C ATOM 603 CG2 VAL A 41 6.817 -7.731 -5.124 1.00 0.00 C ATOM 0 H VAL A 41 7.923 -9.077 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 41 5.858 -7.052 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 41 5.985 -9.539 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.252 -8.404 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.708 -8.724 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.210 -7.083 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.631 -7.993 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.695 -6.656 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.834 -8.016 -4.854 1.00 0.00 H new ATOM 613 N ALA A 42 4.617 -8.320 -0.823 1.00 0.00 N ATOM 614 CA ALA A 42 3.732 -9.004 0.103 1.00 0.00 C ATOM 615 C ALA A 42 2.364 -9.205 -0.525 1.00 0.00 C ATOM 616 O ALA A 42 1.616 -8.248 -0.733 1.00 0.00 O ATOM 617 CB ALA A 42 3.614 -8.220 1.403 1.00 0.00 C ATOM 0 H ALA A 42 4.789 -7.340 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 42 4.155 -9.983 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.947 -8.746 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.599 -8.123 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.211 -7.229 1.195 1.00 0.00 H new ATOM 623 N SER A 43 2.050 -10.446 -0.850 1.00 0.00 N ATOM 624 CA SER A 43 0.772 -10.770 -1.451 1.00 0.00 C ATOM 625 C SER A 43 -0.287 -10.984 -0.377 1.00 0.00 C ATOM 626 O SER A 43 -0.068 -11.703 0.598 1.00 0.00 O ATOM 627 CB SER A 43 0.903 -12.008 -2.336 1.00 0.00 C ATOM 628 OG SER A 43 1.774 -11.755 -3.430 1.00 0.00 O ATOM 0 H SER A 43 2.665 -11.247 -0.707 1.00 0.00 H new ATOM 0 HA SER A 43 0.458 -9.932 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.284 -12.843 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.079 -12.301 -2.707 1.00 0.00 H new ATOM 0 HG SER A 43 1.258 -11.746 -4.263 1.00 0.00 H new ATOM 634 N TRP A 44 -1.424 -10.338 -0.565 1.00 0.00 N ATOM 635 CA TRP A 44 -2.541 -10.447 0.356 1.00 0.00 C ATOM 636 C TRP A 44 -3.564 -11.453 -0.157 1.00 0.00 C ATOM 637 O TRP A 44 -3.777 -11.566 -1.364 1.00 0.00 O ATOM 638 CB TRP A 44 -3.243 -9.095 0.492 1.00 0.00 C ATOM 639 CG TRP A 44 -2.605 -8.113 1.424 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.427 -8.233 2.104 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.149 -6.842 1.777 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.208 -7.102 2.861 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.255 -6.233 2.671 1.00 0.00 C ATOM 644 CE3 TRP A 44 -4.312 -6.162 1.410 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -2.497 -4.968 3.211 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.553 -4.916 1.943 1.00 0.00 C ATOM 647 CH2 TRP A 44 -3.650 -4.328 2.832 1.00 0.00 C ATOM 0 H TRP A 44 -1.599 -9.723 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.147 -10.773 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.305 -8.640 -0.496 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.265 -9.271 0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.766 -9.086 2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.401 -6.937 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.012 -6.607 0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.803 -4.511 3.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.453 -4.385 1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.864 -3.347 3.230 1.00 0.00 H new ATOM 658 N PRO A 45 -4.221 -12.185 0.756 1.00 0.00 N ATOM 659 CA PRO A 45 -5.390 -13.004 0.438 1.00 0.00 C ATOM 660 C PRO A 45 -6.648 -12.137 0.400 1.00 0.00 C ATOM 661 O PRO A 45 -7.732 -12.556 0.798 1.00 0.00 O ATOM 662 CB PRO A 45 -5.462 -14.010 1.601 1.00 0.00 C ATOM 663 CG PRO A 45 -4.307 -13.695 2.504 1.00 0.00 C ATOM 664 CD PRO A 45 -3.871 -12.295 2.173 1.00 0.00 C ATOM 0 HA PRO A 45 -5.318 -13.490 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.408 -13.920 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.400 -15.034 1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.602 -13.772 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.491 -14.401 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.391 -11.553 2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.804 -12.151 2.340 1.00 0.00 H new ATOM 672 N VAL A 46 -6.477 -10.924 -0.105 1.00 0.00 N ATOM 673 CA VAL A 46 -7.508 -9.905 -0.061 1.00 0.00 C ATOM 674 C VAL A 46 -8.089 -9.656 -1.449 1.00 0.00 C ATOM 675 O VAL A 46 -7.361 -9.348 -2.395 1.00 0.00 O ATOM 676 CB VAL A 46 -6.932 -8.595 0.526 1.00 0.00 C ATOM 677 CG1 VAL A 46 -7.885 -7.424 0.355 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.596 -8.786 1.997 1.00 0.00 C ATOM 0 H VAL A 46 -5.615 -10.621 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.314 -10.258 0.583 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.024 -8.360 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.438 -6.526 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.078 -7.264 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.823 -7.641 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.191 -7.858 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.499 -9.057 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.857 -9.580 2.101 1.00 0.00 H new ATOM 688 N GLN A 47 -9.399 -9.819 -1.561 1.00 0.00 N ATOM 689 CA GLN A 47 -10.099 -9.604 -2.822 1.00 0.00 C ATOM 690 C GLN A 47 -11.130 -8.495 -2.688 1.00 0.00 C ATOM 691 O GLN A 47 -11.719 -8.053 -3.676 1.00 0.00 O ATOM 692 CB GLN A 47 -10.789 -10.891 -3.273 1.00 0.00 C ATOM 693 CG GLN A 47 -9.830 -11.948 -3.786 1.00 0.00 C ATOM 694 CD GLN A 47 -10.524 -13.246 -4.145 1.00 0.00 C ATOM 695 OE1 GLN A 47 -11.507 -13.637 -3.511 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.052 -13.891 -5.194 1.00 0.00 N ATOM 0 H GLN A 47 -10.003 -10.101 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.362 -9.309 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.355 -11.302 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.507 -10.652 -4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.310 -11.565 -4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.073 -12.144 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.236 -13.531 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.503 -14.749 -5.510 1.00 0.00 H new ATOM 705 N ARG A 48 -11.369 -8.063 -1.460 1.00 0.00 N ATOM 706 CA ARG A 48 -12.316 -6.995 -1.203 1.00 0.00 C ATOM 707 C ARG A 48 -11.612 -5.855 -0.477 1.00 0.00 C ATOM 708 O ARG A 48 -10.823 -6.090 0.436 1.00 0.00 O ATOM 709 CB ARG A 48 -13.507 -7.485 -0.355 1.00 0.00 C ATOM 710 CG ARG A 48 -14.381 -8.555 -1.013 1.00 0.00 C ATOM 711 CD ARG A 48 -13.730 -9.933 -0.991 1.00 0.00 C ATOM 712 NE ARG A 48 -13.239 -10.288 0.341 1.00 0.00 N ATOM 713 CZ ARG A 48 -13.421 -11.470 0.926 1.00 0.00 C ATOM 714 NH1 ARG A 48 -14.070 -12.442 0.296 1.00 0.00 N ATOM 715 NH2 ARG A 48 -12.944 -11.679 2.147 1.00 0.00 N ATOM 0 H ARG A 48 -10.918 -8.438 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.703 -6.649 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.124 -7.880 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.134 -6.628 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.341 -8.602 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.585 -8.269 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.452 -10.680 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.902 -9.954 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.720 -9.579 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.434 -12.286 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.205 -13.344 0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.441 -10.936 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.080 -12.583 2.600 1.00 0.00 H new ATOM 729 N PRO A 49 -11.888 -4.602 -0.860 1.00 0.00 N ATOM 730 CA PRO A 49 -11.310 -3.427 -0.192 1.00 0.00 C ATOM 731 C PRO A 49 -11.788 -3.293 1.254 1.00 0.00 C ATOM 732 O PRO A 49 -11.338 -2.420 1.992 1.00 0.00 O ATOM 733 CB PRO A 49 -11.807 -2.248 -1.030 1.00 0.00 C ATOM 734 CG PRO A 49 -13.002 -2.759 -1.759 1.00 0.00 C ATOM 735 CD PRO A 49 -12.762 -4.226 -1.983 1.00 0.00 C ATOM 0 HA PRO A 49 -10.223 -3.489 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.065 -1.398 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.039 -1.907 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.910 -2.597 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.132 -2.237 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.694 -4.792 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.284 -4.413 -2.945 1.00 0.00 H new ATOM 743 N ALA A 50 -12.711 -4.160 1.643 1.00 0.00 N ATOM 744 CA ALA A 50 -13.240 -4.168 2.995 1.00 0.00 C ATOM 745 C ALA A 50 -12.506 -5.178 3.877 1.00 0.00 C ATOM 746 O ALA A 50 -12.881 -5.396 5.030 1.00 0.00 O ATOM 747 CB ALA A 50 -14.727 -4.472 2.967 1.00 0.00 C ATOM 0 H ALA A 50 -13.111 -4.873 1.033 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.084 -3.179 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.117 -4.476 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.243 -3.709 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.890 -5.449 2.512 1.00 0.00 H new ATOM 753 N ASP A 51 -11.469 -5.809 3.330 1.00 0.00 N ATOM 754 CA ASP A 51 -10.680 -6.780 4.090 1.00 0.00 C ATOM 755 C ASP A 51 -9.523 -6.101 4.799 1.00 0.00 C ATOM 756 O ASP A 51 -8.868 -6.705 5.646 1.00 0.00 O ATOM 757 CB ASP A 51 -10.122 -7.884 3.188 1.00 0.00 C ATOM 758 CG ASP A 51 -11.191 -8.781 2.604 1.00 0.00 C ATOM 759 OD1 ASP A 51 -11.958 -9.387 3.384 1.00 0.00 O ATOM 760 OD2 ASP A 51 -11.257 -8.900 1.364 1.00 0.00 O ATOM 0 H ASP A 51 -11.156 -5.668 2.370 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.352 -7.226 4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.557 -7.428 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.422 -8.492 3.761 1.00 0.00 H new ATOM 765 N ILE A 52 -9.280 -4.847 4.443 1.00 0.00 N ATOM 766 CA ILE A 52 -8.146 -4.102 4.977 1.00 0.00 C ATOM 767 C ILE A 52 -8.269 -3.925 6.487 1.00 0.00 C ATOM 768 O ILE A 52 -9.085 -3.140 6.972 1.00 0.00 O ATOM 769 CB ILE A 52 -8.013 -2.717 4.308 1.00 0.00 C ATOM 770 CG1 ILE A 52 -7.948 -2.870 2.784 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.775 -1.994 4.826 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.911 -1.553 2.039 1.00 0.00 C ATOM 0 H ILE A 52 -9.855 -4.322 3.784 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.251 -4.684 4.756 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.890 -2.121 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.062 -3.449 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.813 -3.442 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.695 -1.019 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.856 -1.861 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.887 -2.584 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.866 -1.743 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.809 -0.980 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.031 -0.987 2.345 1.00 0.00 H new ATOM 784 N THR A 53 -7.472 -4.681 7.222 1.00 0.00 N ATOM 785 CA THR A 53 -7.446 -4.589 8.667 1.00 0.00 C ATOM 786 C THR A 53 -6.127 -3.996 9.135 1.00 0.00 C ATOM 787 O THR A 53 -5.167 -3.918 8.364 1.00 0.00 O ATOM 788 CB THR A 53 -7.622 -5.973 9.318 1.00 0.00 C ATOM 789 OG1 THR A 53 -6.596 -6.859 8.850 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.991 -6.558 9.001 1.00 0.00 C ATOM 0 H THR A 53 -6.829 -5.371 6.834 1.00 0.00 H new ATOM 0 HA THR A 53 -8.273 -3.945 8.967 1.00 0.00 H new ATOM 0 HB THR A 53 -7.543 -5.857 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.708 -7.739 9.267 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.087 -7.535 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.767 -5.894 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.100 -6.664 7.922 1.00 0.00 H new ATOM 798 N ALA A 54 -6.075 -3.593 10.397 1.00 0.00 N ATOM 799 CA ALA A 54 -4.841 -3.095 10.987 1.00 0.00 C ATOM 800 C ALA A 54 -3.784 -4.192 10.999 1.00 0.00 C ATOM 801 O ALA A 54 -2.592 -3.919 10.864 1.00 0.00 O ATOM 802 CB ALA A 54 -5.094 -2.581 12.395 1.00 0.00 C ATOM 0 H ALA A 54 -6.873 -3.601 11.032 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.474 -2.266 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.161 -2.213 12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.822 -1.771 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.481 -3.391 13.014 1.00 0.00 H new ATOM 808 N SER A 55 -4.239 -5.433 11.141 1.00 0.00 N ATOM 809 CA SER A 55 -3.356 -6.590 11.133 1.00 0.00 C ATOM 810 C SER A 55 -2.604 -6.683 9.807 1.00 0.00 C ATOM 811 O SER A 55 -1.384 -6.847 9.780 1.00 0.00 O ATOM 812 CB SER A 55 -4.181 -7.856 11.353 1.00 0.00 C ATOM 813 OG SER A 55 -5.106 -7.680 12.416 1.00 0.00 O ATOM 0 H SER A 55 -5.225 -5.662 11.264 1.00 0.00 H new ATOM 0 HA SER A 55 -2.626 -6.484 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.716 -8.109 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.519 -8.692 11.577 1.00 0.00 H new ATOM 0 HG SER A 55 -5.625 -8.503 12.538 1.00 0.00 H new ATOM 819 N LEU A 56 -3.344 -6.554 8.709 1.00 0.00 N ATOM 820 CA LEU A 56 -2.757 -6.624 7.376 1.00 0.00 C ATOM 821 C LEU A 56 -1.794 -5.468 7.147 1.00 0.00 C ATOM 822 O LEU A 56 -0.774 -5.622 6.476 1.00 0.00 O ATOM 823 CB LEU A 56 -3.853 -6.604 6.309 1.00 0.00 C ATOM 824 CG LEU A 56 -4.797 -7.805 6.320 1.00 0.00 C ATOM 825 CD1 LEU A 56 -5.868 -7.645 5.256 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.022 -9.095 6.103 1.00 0.00 C ATOM 0 H LEU A 56 -4.352 -6.400 8.717 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.203 -7.560 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.444 -5.697 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.381 -6.543 5.328 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.281 -7.854 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.533 -8.509 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.443 -6.740 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.398 -7.572 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.711 -9.940 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.512 -9.055 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.287 -9.216 6.899 1.00 0.00 H new ATOM 838 N LEU A 57 -2.117 -4.316 7.723 1.00 0.00 N ATOM 839 CA LEU A 57 -1.278 -3.131 7.593 1.00 0.00 C ATOM 840 C LEU A 57 0.075 -3.348 8.265 1.00 0.00 C ATOM 841 O LEU A 57 1.108 -2.924 7.749 1.00 0.00 O ATOM 842 CB LEU A 57 -1.979 -1.912 8.196 1.00 0.00 C ATOM 843 CG LEU A 57 -3.288 -1.509 7.515 1.00 0.00 C ATOM 844 CD1 LEU A 57 -3.919 -0.328 8.233 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.048 -1.171 6.050 1.00 0.00 C ATOM 0 H LEU A 57 -2.956 -4.177 8.286 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.109 -2.949 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.183 -2.114 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.294 -1.065 8.161 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.975 -2.354 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.849 -0.054 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.127 -0.600 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.234 0.519 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.991 -0.887 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.343 -0.342 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.638 -2.041 5.538 1.00 0.00 H new ATOM 857 N GLN A 58 0.063 -4.024 9.409 1.00 0.00 N ATOM 858 CA GLN A 58 1.292 -4.329 10.137 1.00 0.00 C ATOM 859 C GLN A 58 2.169 -5.280 9.327 1.00 0.00 C ATOM 860 O GLN A 58 3.393 -5.145 9.293 1.00 0.00 O ATOM 861 CB GLN A 58 0.965 -4.955 11.493 1.00 0.00 C ATOM 862 CG GLN A 58 0.123 -4.064 12.391 1.00 0.00 C ATOM 863 CD GLN A 58 -0.314 -4.761 13.664 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.485 -5.980 13.697 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.504 -3.992 14.723 1.00 0.00 N ATOM 0 H GLN A 58 -0.786 -4.372 9.854 1.00 0.00 H new ATOM 0 HA GLN A 58 1.835 -3.398 10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.437 -5.895 11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.896 -5.196 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.693 -3.171 12.648 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.759 -3.732 11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.352 -2.986 14.656 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.803 -4.405 15.606 1.00 0.00 H new ATOM 874 N GLN A 59 1.531 -6.237 8.669 1.00 0.00 N ATOM 875 CA GLN A 59 2.246 -7.210 7.854 1.00 0.00 C ATOM 876 C GLN A 59 2.779 -6.556 6.585 1.00 0.00 C ATOM 877 O GLN A 59 3.900 -6.833 6.159 1.00 0.00 O ATOM 878 CB GLN A 59 1.332 -8.382 7.504 1.00 0.00 C ATOM 879 CG GLN A 59 0.771 -9.084 8.729 1.00 0.00 C ATOM 880 CD GLN A 59 -0.178 -10.212 8.381 1.00 0.00 C ATOM 881 OE1 GLN A 59 -0.846 -10.187 7.346 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.243 -11.208 9.245 1.00 0.00 N ATOM 0 H GLN A 59 0.519 -6.361 8.683 1.00 0.00 H new ATOM 0 HA GLN A 59 3.092 -7.587 8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.507 -8.021 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.887 -9.101 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.595 -9.480 9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.250 -8.357 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.328 -11.188 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.864 -11.997 9.068 1.00 0.00 H new ATOM 891 N ALA A 60 1.976 -5.670 6.004 1.00 0.00 N ATOM 892 CA ALA A 60 2.369 -4.935 4.805 1.00 0.00 C ATOM 893 C ALA A 60 3.480 -3.939 5.118 1.00 0.00 C ATOM 894 O ALA A 60 4.166 -3.455 4.221 1.00 0.00 O ATOM 895 CB ALA A 60 1.168 -4.218 4.209 1.00 0.00 C ATOM 0 H ALA A 60 1.043 -5.442 6.347 1.00 0.00 H new ATOM 0 HA ALA A 60 2.749 -5.650 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.475 -3.674 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.403 -4.948 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.763 -3.517 4.939 1.00 0.00 H new ATOM 901 N ALA A 61 3.643 -3.635 6.399 1.00 0.00 N ATOM 902 CA ALA A 61 4.709 -2.755 6.850 1.00 0.00 C ATOM 903 C ALA A 61 6.045 -3.493 6.881 1.00 0.00 C ATOM 904 O ALA A 61 7.090 -2.893 7.110 1.00 0.00 O ATOM 905 CB ALA A 61 4.382 -2.190 8.225 1.00 0.00 C ATOM 0 H ALA A 61 3.046 -3.988 7.147 1.00 0.00 H new ATOM 0 HA ALA A 61 4.793 -1.929 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.189 -1.533 8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.452 -1.624 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.271 -3.008 8.937 1.00 0.00 H new ATOM 911 N GLY A 62 5.998 -4.799 6.654 1.00 0.00 N ATOM 912 CA GLY A 62 7.208 -5.597 6.656 1.00 0.00 C ATOM 913 C GLY A 62 7.548 -6.116 8.038 1.00 0.00 C ATOM 914 O GLY A 62 8.562 -6.786 8.225 1.00 0.00 O ATOM 0 H GLY A 62 5.142 -5.321 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.088 -6.438 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.037 -4.998 6.281 1.00 0.00 H new ATOM 918 N LEU A 63 6.682 -5.831 9.004 1.00 0.00 N ATOM 919 CA LEU A 63 6.902 -6.251 10.385 1.00 0.00 C ATOM 920 C LEU A 63 6.713 -7.759 10.533 1.00 0.00 C ATOM 921 O LEU A 63 6.927 -8.322 11.604 1.00 0.00 O ATOM 922 CB LEU A 63 5.947 -5.505 11.323 1.00 0.00 C ATOM 923 CG LEU A 63 6.063 -3.978 11.294 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.005 -3.350 12.186 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.453 -3.539 11.726 1.00 0.00 C ATOM 0 H LEU A 63 5.818 -5.309 8.856 1.00 0.00 H new ATOM 0 HA LEU A 63 7.929 -6.007 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.924 -5.780 11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.124 -5.847 12.343 1.00 0.00 H new ATOM 0 HG LEU A 63 5.899 -3.639 10.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.100 -2.265 12.155 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.014 -3.638 11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.140 -3.697 13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.516 -2.451 11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.646 -3.888 12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.195 -3.962 11.049 1.00 0.00 H new ATOM 1274 N ALA A 88 9.656 -0.892 7.810 1.00 0.00 N ATOM 1275 CA ALA A 88 8.790 0.039 8.516 1.00 0.00 C ATOM 1276 C ALA A 88 8.599 1.274 7.647 1.00 0.00 C ATOM 1277 O ALA A 88 9.404 2.207 7.694 1.00 0.00 O ATOM 1278 CB ALA A 88 9.358 0.421 9.877 1.00 0.00 C ATOM 0 HA ALA A 88 7.830 -0.442 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.681 1.118 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.469 -0.474 10.489 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.332 0.893 9.745 1.00 0.00 H new ATOM 1284 N PRO A 89 7.553 1.257 6.805 1.00 0.00 N ATOM 1285 CA PRO A 89 7.286 2.298 5.809 1.00 0.00 C ATOM 1286 C PRO A 89 7.335 3.707 6.370 1.00 0.00 C ATOM 1287 O PRO A 89 6.815 3.980 7.448 1.00 0.00 O ATOM 1288 CB PRO A 89 5.862 1.992 5.320 1.00 0.00 C ATOM 1289 CG PRO A 89 5.333 0.938 6.233 1.00 0.00 C ATOM 1290 CD PRO A 89 6.530 0.211 6.762 1.00 0.00 C ATOM 0 HA PRO A 89 8.046 2.278 5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.238 2.885 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.870 1.645 4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.755 1.379 7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.668 0.258 5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.343 -0.212 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.822 -0.614 6.112 1.00 0.00 H new ATOM 1298 N GLU A 90 7.970 4.594 5.625 1.00 0.00 N ATOM 1299 CA GLU A 90 7.964 6.003 5.957 1.00 0.00 C ATOM 1300 C GLU A 90 6.625 6.587 5.533 1.00 0.00 C ATOM 1301 O GLU A 90 5.964 7.305 6.285 1.00 0.00 O ATOM 1302 CB GLU A 90 9.111 6.705 5.236 1.00 0.00 C ATOM 1303 CG GLU A 90 9.381 8.115 5.722 1.00 0.00 C ATOM 1304 CD GLU A 90 10.506 8.766 4.950 1.00 0.00 C ATOM 1305 OE1 GLU A 90 11.602 8.172 4.883 1.00 0.00 O ATOM 1306 OE2 GLU A 90 10.287 9.858 4.388 1.00 0.00 O ATOM 0 H GLU A 90 8.497 4.360 4.784 1.00 0.00 H new ATOM 0 HA GLU A 90 8.100 6.144 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.018 6.112 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.889 6.737 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.476 8.714 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.632 8.093 6.782 1.00 0.00 H new ATOM 1313 N VAL A 91 6.227 6.247 4.316 1.00 0.00 N ATOM 1314 CA VAL A 91 4.912 6.595 3.814 1.00 0.00 C ATOM 1315 C VAL A 91 4.260 5.364 3.185 1.00 0.00 C ATOM 1316 O VAL A 91 4.900 4.620 2.436 1.00 0.00 O ATOM 1317 CB VAL A 91 4.978 7.762 2.797 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.883 7.423 1.625 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.587 8.140 2.306 1.00 0.00 C ATOM 0 H VAL A 91 6.804 5.726 3.655 1.00 0.00 H new ATOM 0 HA VAL A 91 4.304 6.935 4.653 1.00 0.00 H new ATOM 0 HB VAL A 91 5.404 8.622 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.908 8.262 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.891 7.224 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.501 6.539 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.663 8.961 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.126 7.280 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.974 8.450 3.152 1.00 0.00 H new ATOM 1329 N LEU A 92 3.002 5.135 3.520 1.00 0.00 N ATOM 1330 CA LEU A 92 2.284 3.968 3.035 1.00 0.00 C ATOM 1331 C LEU A 92 1.115 4.397 2.161 1.00 0.00 C ATOM 1332 O LEU A 92 0.223 5.110 2.614 1.00 0.00 O ATOM 1333 CB LEU A 92 1.785 3.124 4.213 1.00 0.00 C ATOM 1334 CG LEU A 92 1.042 1.838 3.835 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.956 0.888 3.078 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.486 1.159 5.077 1.00 0.00 C ATOM 0 H LEU A 92 2.455 5.744 4.128 1.00 0.00 H new ATOM 0 HA LEU A 92 2.964 3.362 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.640 2.860 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.124 3.739 4.824 1.00 0.00 H new ATOM 0 HG LEU A 92 0.211 2.106 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.407 -0.018 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.308 1.371 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.810 0.629 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.038 0.248 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.304 0.909 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.207 1.833 5.581 1.00 0.00 H new ATOM 1348 N LEU A 93 1.133 3.973 0.911 1.00 0.00 N ATOM 1349 CA LEU A 93 0.074 4.307 -0.025 1.00 0.00 C ATOM 1350 C LEU A 93 -0.860 3.121 -0.207 1.00 0.00 C ATOM 1351 O LEU A 93 -0.511 2.138 -0.861 1.00 0.00 O ATOM 1352 CB LEU A 93 0.660 4.720 -1.379 1.00 0.00 C ATOM 1353 CG LEU A 93 1.638 5.899 -1.338 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.148 6.210 -2.735 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.981 7.128 -0.726 1.00 0.00 C ATOM 0 H LEU A 93 1.874 3.393 0.518 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.490 5.146 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.171 3.860 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.161 4.974 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 93 2.484 5.619 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.842 7.050 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.661 5.337 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.308 6.467 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.695 7.951 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.114 7.412 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.662 6.902 0.292 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.036 3.205 0.387 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.014 2.138 0.290 1.00 0.00 C ATOM 1369 C VAL A 94 -3.996 2.421 -0.836 1.00 0.00 C ATOM 1370 O VAL A 94 -4.695 3.435 -0.822 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.790 1.951 1.613 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.790 0.810 1.496 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.828 1.699 2.766 1.00 0.00 C ATOM 0 H VAL A 94 -2.338 4.005 0.944 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.469 1.218 0.080 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.341 2.869 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.325 0.697 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.501 1.030 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.261 -0.115 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.393 1.570 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.248 0.798 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.153 2.549 2.869 1.00 0.00 H new ATOM 1383 N GLY A 95 -4.020 1.539 -1.821 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.967 1.655 -2.902 1.00 0.00 C ATOM 1385 C GLY A 95 -6.202 0.829 -2.635 1.00 0.00 C ATOM 1386 O GLY A 95 -6.120 -0.391 -2.506 1.00 0.00 O ATOM 0 H GLY A 95 -3.393 0.738 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.247 2.700 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.502 1.329 -3.833 1.00 0.00 H new ATOM 1390 N THR A 96 -7.346 1.489 -2.544 1.00 0.00 N ATOM 1391 CA THR A 96 -8.592 0.818 -2.210 1.00 0.00 C ATOM 1392 C THR A 96 -9.116 -0.052 -3.355 1.00 0.00 C ATOM 1393 O THR A 96 -10.119 -0.752 -3.200 1.00 0.00 O ATOM 1394 CB THR A 96 -9.658 1.841 -1.794 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.477 3.059 -2.525 1.00 0.00 O ATOM 1396 CG2 THR A 96 -9.577 2.125 -0.302 1.00 0.00 C ATOM 0 H THR A 96 -7.437 2.493 -2.698 1.00 0.00 H new ATOM 0 HA THR A 96 -8.379 0.155 -1.372 1.00 0.00 H new ATOM 0 HB THR A 96 -10.640 1.424 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.713 2.915 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.341 2.853 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.740 1.201 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.592 2.525 -0.061 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.444 0.008 -4.498 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.758 -0.877 -5.605 1.00 0.00 C ATOM 1406 C GLY A 97 -10.049 -0.525 -6.313 1.00 0.00 C ATOM 1407 O GLY A 97 -10.026 0.109 -7.365 1.00 0.00 O ATOM 0 H GLY A 97 -7.681 0.660 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.940 -0.850 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.823 -1.900 -5.235 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.168 -0.947 -5.731 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.486 -0.726 -6.319 1.00 0.00 C ATOM 1413 C ARG A 98 -12.718 0.758 -6.585 1.00 0.00 C ATOM 1414 O ARG A 98 -13.028 1.164 -7.704 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.581 -1.253 -5.385 1.00 0.00 C ATOM 1416 CG ARG A 98 -14.974 -1.085 -5.960 1.00 0.00 C ATOM 1417 CD ARG A 98 -16.070 -1.326 -4.935 1.00 0.00 C ATOM 1418 NE ARG A 98 -16.104 -2.707 -4.454 1.00 0.00 N ATOM 1419 CZ ARG A 98 -16.989 -3.619 -4.860 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -17.826 -3.352 -5.864 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -17.018 -4.812 -4.281 1.00 0.00 N ATOM 0 H ARG A 98 -11.187 -1.449 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.527 -1.266 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.402 -2.309 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.521 -0.730 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.076 -0.078 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.104 -1.776 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.923 -0.655 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -17.035 -1.076 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.407 -2.990 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.793 -2.444 -6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.499 -4.056 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.365 -5.029 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.693 -5.512 -4.589 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.578 1.550 -5.531 1.00 0.00 N ATOM 1436 CA ARG A 99 -12.699 2.994 -5.615 1.00 0.00 C ATOM 1437 C ARG A 99 -12.292 3.596 -4.275 1.00 0.00 C ATOM 1438 O ARG A 99 -12.415 2.938 -3.234 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.118 3.417 -6.023 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.204 3.064 -5.024 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.587 3.278 -5.624 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.611 3.433 -4.594 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.738 2.717 -4.530 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.004 1.779 -5.436 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -19.611 2.957 -3.564 1.00 0.00 N ATOM 0 H ARG A 99 -12.377 1.206 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.034 3.370 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.128 4.495 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.359 2.952 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.095 2.025 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.093 3.676 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.574 4.164 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.840 2.432 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.455 4.137 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.344 1.598 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.868 1.241 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.422 3.684 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.473 2.414 -3.509 1.00 0.00 H new ATOM 1459 N GLN A 100 -11.803 4.827 -4.315 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.148 5.456 -3.172 1.00 0.00 C ATOM 1461 C GLN A 100 -12.055 5.527 -1.951 1.00 0.00 C ATOM 1462 O GLN A 100 -13.191 6.001 -2.025 1.00 0.00 O ATOM 1463 CB GLN A 100 -10.670 6.857 -3.551 1.00 0.00 C ATOM 1464 CG GLN A 100 -9.664 7.445 -2.575 1.00 0.00 C ATOM 1465 CD GLN A 100 -9.201 8.830 -2.981 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -9.189 9.176 -4.164 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -8.796 9.626 -2.004 1.00 0.00 N ATOM 0 H GLN A 100 -11.848 5.421 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.294 4.834 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.222 6.822 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.532 7.521 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.111 7.492 -1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.801 6.783 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.822 9.301 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.458 10.564 -2.218 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.541 5.049 -0.828 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.247 5.123 0.442 1.00 0.00 C ATOM 1478 C HIS A 101 -11.346 5.754 1.491 1.00 0.00 C ATOM 1479 O HIS A 101 -10.126 5.597 1.440 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.684 3.735 0.925 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.662 3.040 0.030 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -13.590 1.692 -0.249 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.751 3.501 -0.628 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -14.591 1.356 -1.041 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -15.313 2.434 -1.286 1.00 0.00 N ATOM 0 H HIS A 101 -10.627 4.601 -0.771 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.139 5.732 0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.799 3.107 1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.126 3.833 1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.111 4.519 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.787 0.365 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -16.150 2.469 -1.868 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.940 6.469 2.428 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.187 7.074 3.515 1.00 0.00 C ATOM 1496 C LEU A 102 -11.066 6.095 4.678 1.00 0.00 C ATOM 1497 O LEU A 102 -12.068 5.562 5.157 1.00 0.00 O ATOM 1498 CB LEU A 102 -11.867 8.364 3.981 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.164 9.092 5.130 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -9.761 9.515 4.721 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -11.978 10.298 5.570 1.00 0.00 C ATOM 0 H LEU A 102 -12.944 6.646 2.460 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.188 7.318 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.941 9.044 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.885 8.128 4.290 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.080 8.405 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.280 10.030 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.178 8.633 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.819 10.185 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.465 10.805 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.092 10.985 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.961 9.970 5.907 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.838 5.854 5.117 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.592 4.950 6.232 1.00 0.00 C ATOM 1515 C LEU A 103 -9.860 5.655 7.558 1.00 0.00 C ATOM 1516 O LEU A 103 -10.082 6.870 7.591 1.00 0.00 O ATOM 1517 CB LEU A 103 -8.155 4.420 6.187 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.777 3.674 4.904 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -6.344 3.171 4.983 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.738 2.519 4.646 1.00 0.00 C ATOM 0 H LEU A 103 -8.997 6.272 4.718 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.273 4.103 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.471 5.259 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.004 3.752 7.035 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.852 4.371 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.092 2.643 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.668 4.016 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.243 2.492 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.450 2.004 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.700 1.821 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.752 2.906 4.541 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.843 4.902 8.645 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.163 5.464 9.940 1.00 0.00 C ATOM 1534 C GLY A 104 -8.942 5.645 10.818 1.00 0.00 C ATOM 1535 O GLY A 104 -7.935 4.956 10.637 1.00 0.00 O ATOM 0 H GLY A 104 -9.613 3.908 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.652 6.428 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.877 4.814 10.447 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.016 6.564 11.796 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.887 6.898 12.673 1.00 0.00 C ATOM 1541 C PRO A 105 -7.406 5.711 13.503 1.00 0.00 C ATOM 1542 O PRO A 105 -6.218 5.590 13.794 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.447 7.989 13.595 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.651 8.515 12.891 1.00 0.00 C ATOM 1545 CD PRO A 105 -10.213 7.358 12.118 1.00 0.00 C ATOM 0 HA PRO A 105 -7.019 7.210 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.708 7.583 14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.713 8.777 13.763 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.381 8.902 13.602 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.387 9.337 12.226 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.929 6.787 12.709 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.733 7.688 11.219 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.327 4.828 13.873 1.00 0.00 N ATOM 1554 CA GLU A 106 -7.991 3.692 14.719 1.00 0.00 C ATOM 1555 C GLU A 106 -7.396 2.557 13.888 1.00 0.00 C ATOM 1556 O GLU A 106 -6.626 1.738 14.391 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.232 3.213 15.480 1.00 0.00 C ATOM 1558 CG GLU A 106 -8.971 2.047 16.419 1.00 0.00 C ATOM 1559 CD GLU A 106 -10.194 1.668 17.225 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -11.212 1.274 16.622 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -10.140 1.759 18.468 1.00 0.00 O ATOM 0 H GLU A 106 -9.309 4.878 13.601 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.241 4.009 15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.636 4.046 16.055 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.997 2.922 14.760 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.640 1.185 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.158 2.306 17.098 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.737 2.527 12.608 1.00 0.00 N ATOM 1569 CA GLN A 107 -7.244 1.487 11.710 1.00 0.00 C ATOM 1570 C GLN A 107 -5.745 1.639 11.472 1.00 0.00 C ATOM 1571 O GLN A 107 -4.993 0.668 11.525 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.994 1.538 10.379 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.495 1.342 10.522 1.00 0.00 C ATOM 1574 CD GLN A 107 -10.229 1.457 9.201 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.800 2.176 8.299 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -11.346 0.759 9.081 1.00 0.00 N ATOM 0 H GLN A 107 -8.353 3.209 12.166 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.421 0.520 12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.805 2.499 9.901 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.596 0.769 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.689 0.361 10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.889 2.083 11.218 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.668 0.175 9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.886 0.805 8.217 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.312 2.869 11.229 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.903 3.153 10.974 1.00 0.00 C ATOM 1587 C VAL A 108 -3.209 3.647 12.242 1.00 0.00 C ATOM 1588 O VAL A 108 -2.062 4.093 12.205 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.739 4.203 9.855 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.314 3.682 8.548 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.402 5.519 10.242 1.00 0.00 C ATOM 0 H VAL A 108 -5.917 3.690 11.203 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.437 2.222 10.652 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.674 4.388 9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.190 4.435 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.791 2.771 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.374 3.466 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.272 6.242 9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.466 5.354 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.943 5.904 11.153 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.914 3.522 13.364 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.461 4.047 14.653 1.00 0.00 C ATOM 1603 C ARG A 109 -2.063 3.536 15.038 1.00 0.00 C ATOM 1604 O ARG A 109 -1.174 4.344 15.316 1.00 0.00 O ATOM 1605 CB ARG A 109 -4.479 3.691 15.740 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.402 4.556 16.985 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.518 4.202 17.952 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.663 5.182 19.026 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.809 5.807 19.302 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.883 5.580 18.554 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -6.883 6.657 20.315 1.00 0.00 N ATOM 0 H ARG A 109 -4.819 3.053 13.407 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.385 5.130 14.560 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.482 3.770 15.320 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.335 2.650 16.028 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.436 4.419 17.470 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.473 5.608 16.708 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.458 4.127 17.405 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.321 3.221 18.384 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.845 5.400 19.595 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.831 4.929 17.771 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.760 6.057 18.763 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.060 6.838 20.890 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.763 7.131 20.520 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.828 2.199 15.055 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.529 1.641 15.456 1.00 0.00 C ATOM 1627 C PRO A 110 0.615 2.129 14.573 1.00 0.00 C ATOM 1628 O PRO A 110 1.727 2.352 15.054 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.710 0.126 15.300 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.179 -0.093 15.331 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.788 1.131 14.708 1.00 0.00 C ATOM 0 HA PRO A 110 -0.262 1.947 16.468 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.278 -0.228 14.364 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.214 -0.415 16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.452 -0.991 14.777 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.533 -0.229 16.353 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.897 1.022 13.629 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.781 1.336 15.109 1.00 0.00 H new ATOM 1639 N LEU A 111 0.333 2.314 13.290 1.00 0.00 N ATOM 1640 CA LEU A 111 1.356 2.714 12.331 1.00 0.00 C ATOM 1641 C LEU A 111 1.709 4.188 12.489 1.00 0.00 C ATOM 1642 O LEU A 111 2.870 4.570 12.351 1.00 0.00 O ATOM 1643 CB LEU A 111 0.895 2.428 10.901 1.00 0.00 C ATOM 1644 CG LEU A 111 0.683 0.949 10.570 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.287 0.784 9.113 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.942 0.149 10.870 1.00 0.00 C ATOM 0 H LEU A 111 -0.597 2.193 12.888 1.00 0.00 H new ATOM 0 HA LEU A 111 2.252 2.126 12.533 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.039 2.961 10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.632 2.837 10.210 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.125 0.569 11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.140 -0.273 8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.640 1.326 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.076 1.181 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.772 -0.900 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.767 0.531 10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.189 0.243 11.927 1.00 0.00 H new ATOM 1658 N LEU A 112 0.707 5.008 12.794 1.00 0.00 N ATOM 1659 CA LEU A 112 0.927 6.437 13.008 1.00 0.00 C ATOM 1660 C LEU A 112 1.936 6.659 14.127 1.00 0.00 C ATOM 1661 O LEU A 112 2.840 7.487 14.007 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.386 7.144 13.346 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.438 7.139 12.235 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.700 7.849 12.700 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.890 7.795 10.975 1.00 0.00 C ATOM 0 H LEU A 112 -0.263 4.710 12.898 1.00 0.00 H new ATOM 0 HA LEU A 112 1.323 6.859 12.084 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.815 6.674 14.231 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.165 8.178 13.609 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.688 6.104 12.000 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.440 7.838 11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.104 7.338 13.574 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.462 8.881 12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.653 7.782 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.612 8.826 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.012 7.247 10.632 1.00 0.00 H new ATOM 1677 N ALA A 113 1.792 5.890 15.201 1.00 0.00 N ATOM 1678 CA ALA A 113 2.686 5.990 16.349 1.00 0.00 C ATOM 1679 C ALA A 113 4.095 5.509 16.003 1.00 0.00 C ATOM 1680 O ALA A 113 5.075 5.929 16.619 1.00 0.00 O ATOM 1681 CB ALA A 113 2.126 5.195 17.516 1.00 0.00 C ATOM 0 H ALA A 113 1.060 5.187 15.300 1.00 0.00 H new ATOM 0 HA ALA A 113 2.755 7.040 16.633 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.801 5.276 18.368 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.147 5.590 17.789 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.028 4.148 17.229 1.00 0.00 H new ATOM 1687 N MET A 114 4.195 4.636 15.008 1.00 0.00 N ATOM 1688 CA MET A 114 5.486 4.106 14.580 1.00 0.00 C ATOM 1689 C MET A 114 6.194 5.091 13.657 1.00 0.00 C ATOM 1690 O MET A 114 7.420 5.061 13.520 1.00 0.00 O ATOM 1691 CB MET A 114 5.310 2.761 13.868 1.00 0.00 C ATOM 1692 CG MET A 114 4.793 1.652 14.769 1.00 0.00 C ATOM 1693 SD MET A 114 4.490 0.116 13.875 1.00 0.00 S ATOM 1694 CE MET A 114 3.937 -0.944 15.208 1.00 0.00 C ATOM 0 H MET A 114 3.398 4.279 14.481 1.00 0.00 H new ATOM 0 HA MET A 114 6.098 3.956 15.469 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.620 2.890 13.034 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.268 2.456 13.446 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.516 1.469 15.564 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.869 1.978 15.247 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.709 -1.935 14.815 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.723 -1.024 15.959 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.042 -0.520 15.663 1.00 0.00 H new ATOM 1704 N GLY A 115 5.416 5.969 13.036 1.00 0.00 N ATOM 1705 CA GLY A 115 5.976 6.945 12.122 1.00 0.00 C ATOM 1706 C GLY A 115 5.635 6.634 10.682 1.00 0.00 C ATOM 1707 O GLY A 115 6.270 7.142 9.761 1.00 0.00 O ATOM 0 H GLY A 115 4.404 6.022 13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.602 7.937 12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.059 6.973 12.240 1.00 0.00 H new ATOM 1711 N VAL A 116 4.629 5.791 10.489 1.00 0.00 N ATOM 1712 CA VAL A 116 4.205 5.400 9.154 1.00 0.00 C ATOM 1713 C VAL A 116 3.079 6.305 8.667 1.00 0.00 C ATOM 1714 O VAL A 116 1.953 6.235 9.170 1.00 0.00 O ATOM 1715 CB VAL A 116 3.723 3.933 9.121 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.361 3.519 7.703 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.779 3.003 9.701 1.00 0.00 C ATOM 0 H VAL A 116 4.091 5.365 11.243 1.00 0.00 H new ATOM 0 HA VAL A 116 5.069 5.499 8.497 1.00 0.00 H new ATOM 0 HB VAL A 116 2.828 3.855 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.024 2.482 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.563 4.161 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.236 3.617 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.417 1.975 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.696 3.084 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.982 3.282 10.735 1.00 0.00 H new ATOM 1727 N GLY A 117 3.385 7.162 7.702 1.00 0.00 N ATOM 1728 CA GLY A 117 2.376 8.044 7.145 1.00 0.00 C ATOM 1729 C GLY A 117 1.486 7.335 6.144 1.00 0.00 C ATOM 1730 O GLY A 117 1.753 7.358 4.941 1.00 0.00 O ATOM 0 H GLY A 117 4.314 7.263 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.764 8.448 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.863 8.890 6.660 1.00 0.00 H new ATOM 1734 N VAL A 118 0.433 6.699 6.638 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.475 5.937 5.788 1.00 0.00 C ATOM 1736 C VAL A 118 -1.502 6.846 5.119 1.00 0.00 C ATOM 1737 O VAL A 118 -2.202 7.606 5.790 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.222 4.853 6.593 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.042 3.965 5.669 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.248 4.024 7.414 1.00 0.00 C ATOM 0 H VAL A 118 0.185 6.695 7.627 1.00 0.00 H new ATOM 0 HA VAL A 118 0.139 5.460 5.024 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.906 5.351 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.560 3.208 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.773 4.572 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.381 3.478 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.797 3.266 7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.466 3.538 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.286 4.672 8.109 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.586 6.764 3.797 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.582 7.508 3.041 1.00 0.00 C ATOM 1752 C GLU A 119 -3.350 6.566 2.121 1.00 0.00 C ATOM 1753 O GLU A 119 -2.790 5.596 1.606 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.928 8.631 2.231 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.165 9.625 3.092 1.00 0.00 C ATOM 1756 CD GLU A 119 -0.841 10.911 2.365 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.751 11.751 2.206 1.00 0.00 O ATOM 1758 OE2 GLU A 119 0.329 11.102 1.975 1.00 0.00 O ATOM 0 H GLU A 119 -0.971 6.185 3.224 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.280 7.962 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.246 8.194 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.698 9.162 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.754 9.855 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.238 9.164 3.434 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.629 6.851 1.924 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.491 5.995 1.121 1.00 0.00 C ATOM 1767 C ALA A 120 -5.897 6.682 -0.175 1.00 0.00 C ATOM 1768 O ALA A 120 -6.386 7.815 -0.163 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.724 5.593 1.915 1.00 0.00 C ATOM 0 H ALA A 120 -5.095 7.672 2.311 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.928 5.098 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.359 4.953 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.419 5.051 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.279 6.486 2.203 1.00 0.00 H new ATOM 1775 N MET A 121 -5.693 5.989 -1.287 1.00 0.00 N ATOM 1776 CA MET A 121 -6.032 6.509 -2.607 1.00 0.00 C ATOM 1777 C MET A 121 -6.469 5.368 -3.518 1.00 0.00 C ATOM 1778 O MET A 121 -6.588 4.225 -3.078 1.00 0.00 O ATOM 1779 CB MET A 121 -4.833 7.236 -3.234 1.00 0.00 C ATOM 1780 CG MET A 121 -4.491 8.564 -2.574 1.00 0.00 C ATOM 1781 SD MET A 121 -3.055 9.365 -3.321 1.00 0.00 S ATOM 1782 CE MET A 121 -1.779 8.153 -2.990 1.00 0.00 C ATOM 0 H MET A 121 -5.289 5.053 -1.301 1.00 0.00 H new ATOM 0 HA MET A 121 -6.850 7.221 -2.493 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.961 6.584 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.041 7.411 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.350 9.231 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.299 8.399 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.806 8.645 -2.970 1.00 0.00 H new ATOM 0 HE2 MET A 121 -1.967 7.681 -2.025 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.786 7.394 -3.772 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.713 5.678 -4.782 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.042 4.651 -5.759 1.00 0.00 C ATOM 1794 C ASP A 122 -5.781 4.018 -6.314 1.00 0.00 C ATOM 1795 O ASP A 122 -4.690 4.578 -6.191 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.870 5.224 -6.910 1.00 0.00 C ATOM 1797 CG ASP A 122 -9.355 5.127 -6.658 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.829 4.023 -6.344 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -10.061 6.147 -6.812 1.00 0.00 O ATOM 0 H ASP A 122 -6.690 6.627 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.633 3.892 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.598 6.268 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.625 4.692 -7.829 1.00 0.00 H new ATOM 1804 N THR A 123 -5.938 2.855 -6.935 1.00 0.00 N ATOM 1805 CA THR A 123 -4.823 2.140 -7.542 1.00 0.00 C ATOM 1806 C THR A 123 -4.112 3.022 -8.572 1.00 0.00 C ATOM 1807 O THR A 123 -2.884 3.027 -8.663 1.00 0.00 O ATOM 1808 CB THR A 123 -5.323 0.849 -8.220 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.260 0.188 -7.360 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.171 -0.093 -8.526 1.00 0.00 C ATOM 0 H THR A 123 -6.837 2.383 -7.032 1.00 0.00 H new ATOM 0 HA THR A 123 -4.115 1.881 -6.754 1.00 0.00 H new ATOM 0 HB THR A 123 -5.804 1.122 -9.159 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.012 -0.756 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.555 -0.994 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.466 0.400 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.664 -0.361 -7.599 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.904 3.783 -9.321 1.00 0.00 N ATOM 1819 CA GLN A 124 -4.386 4.703 -10.329 1.00 0.00 C ATOM 1820 C GLN A 124 -3.429 5.720 -9.706 1.00 0.00 C ATOM 1821 O GLN A 124 -2.287 5.875 -10.148 1.00 0.00 O ATOM 1822 CB GLN A 124 -5.560 5.424 -11.002 1.00 0.00 C ATOM 1823 CG GLN A 124 -5.153 6.455 -12.046 1.00 0.00 C ATOM 1824 CD GLN A 124 -6.352 7.169 -12.641 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -7.441 6.604 -12.736 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -6.171 8.420 -13.037 1.00 0.00 N ATOM 0 H GLN A 124 -5.921 3.780 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 124 -3.828 4.133 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -6.203 4.682 -11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -6.155 5.918 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.485 7.186 -11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.593 5.963 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.254 8.857 -12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -6.948 8.946 -13.436 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.900 6.399 -8.667 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.118 7.438 -8.014 1.00 0.00 C ATOM 1837 C ALA A 125 -1.934 6.845 -7.265 1.00 0.00 C ATOM 1838 O ALA A 125 -0.829 7.384 -7.313 1.00 0.00 O ATOM 1839 CB ALA A 125 -3.996 8.244 -7.068 1.00 0.00 C ATOM 0 H ALA A 125 -4.822 6.247 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.729 8.103 -8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.398 9.018 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.806 8.709 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.414 7.584 -6.308 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.170 5.723 -6.590 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.133 5.063 -5.805 1.00 0.00 C ATOM 1847 C ALA A 126 0.047 4.650 -6.680 1.00 0.00 C ATOM 1848 O ALA A 126 1.201 4.861 -6.312 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.706 3.855 -5.079 1.00 0.00 C ATOM 0 H ALA A 126 -3.074 5.251 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.767 5.776 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.920 3.373 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.505 4.177 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.104 3.148 -5.807 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.249 4.080 -7.845 1.00 0.00 N ATOM 1856 CA ALA A 127 0.790 3.632 -8.769 1.00 0.00 C ATOM 1857 C ALA A 127 1.637 4.804 -9.259 1.00 0.00 C ATOM 1858 O ALA A 127 2.868 4.743 -9.238 1.00 0.00 O ATOM 1859 CB ALA A 127 0.169 2.897 -9.948 1.00 0.00 C ATOM 0 H ALA A 127 -1.201 3.917 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 127 1.445 2.946 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.956 2.569 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.383 2.029 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.511 3.565 -10.476 1.00 0.00 H new ATOM 1865 N ARG A 128 0.972 5.876 -9.683 1.00 0.00 N ATOM 1866 CA ARG A 128 1.674 7.057 -10.184 1.00 0.00 C ATOM 1867 C ARG A 128 2.524 7.694 -9.089 1.00 0.00 C ATOM 1868 O ARG A 128 3.685 8.038 -9.312 1.00 0.00 O ATOM 1869 CB ARG A 128 0.686 8.087 -10.739 1.00 0.00 C ATOM 1870 CG ARG A 128 -0.091 7.607 -11.955 1.00 0.00 C ATOM 1871 CD ARG A 128 -0.946 8.722 -12.540 1.00 0.00 C ATOM 1872 NE ARG A 128 -0.132 9.857 -12.974 1.00 0.00 N ATOM 1873 CZ ARG A 128 -0.594 11.094 -13.156 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -1.887 11.356 -13.007 1.00 0.00 N ATOM 1875 NH2 ARG A 128 0.239 12.068 -13.504 1.00 0.00 N ATOM 0 H ARG A 128 -0.045 5.952 -9.690 1.00 0.00 H new ATOM 0 HA ARG A 128 2.330 6.730 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.020 8.358 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.232 8.993 -11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.603 7.243 -12.712 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -0.727 6.767 -11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.516 8.338 -13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.668 9.056 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 128 0.859 9.690 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.533 10.609 -12.752 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.235 12.305 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.231 11.869 -13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.113 13.015 -13.644 1.00 0.00 H new ATOM 1889 N THR A 129 1.943 7.834 -7.903 1.00 0.00 N ATOM 1890 CA THR A 129 2.632 8.453 -6.778 1.00 0.00 C ATOM 1891 C THR A 129 3.819 7.599 -6.333 1.00 0.00 C ATOM 1892 O THR A 129 4.848 8.123 -5.898 1.00 0.00 O ATOM 1893 CB THR A 129 1.669 8.663 -5.591 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.480 9.322 -6.042 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.319 9.496 -4.498 1.00 0.00 C ATOM 0 H THR A 129 0.993 7.526 -7.696 1.00 0.00 H new ATOM 0 HA THR A 129 2.999 9.424 -7.109 1.00 0.00 H new ATOM 0 HB THR A 129 1.420 7.684 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.157 8.656 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.617 9.628 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.212 8.987 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.595 10.471 -4.899 1.00 0.00 H new ATOM 1903 N TYR A 130 3.672 6.285 -6.467 1.00 0.00 N ATOM 1904 CA TYR A 130 4.728 5.348 -6.106 1.00 0.00 C ATOM 1905 C TYR A 130 5.984 5.620 -6.925 1.00 0.00 C ATOM 1906 O TYR A 130 7.075 5.745 -6.372 1.00 0.00 O ATOM 1907 CB TYR A 130 4.253 3.910 -6.324 1.00 0.00 C ATOM 1908 CG TYR A 130 5.225 2.853 -5.849 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.460 2.659 -4.495 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.889 2.035 -6.755 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.330 1.680 -4.057 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.764 1.058 -6.323 1.00 0.00 C ATOM 1913 CZ TYR A 130 6.977 0.883 -4.974 1.00 0.00 C ATOM 1914 OH TYR A 130 7.833 -0.098 -4.536 1.00 0.00 O ATOM 0 H TYR A 130 2.825 5.843 -6.826 1.00 0.00 H new ATOM 0 HA TYR A 130 4.968 5.483 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.303 3.772 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 130 4.063 3.760 -7.387 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.955 3.283 -3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.718 2.165 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.502 1.540 -3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.278 0.435 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 130 8.685 -0.027 -5.015 1.00 0.00 H new ATOM 1924 N ASN A 131 5.818 5.729 -8.241 1.00 0.00 N ATOM 1925 CA ASN A 131 6.938 6.023 -9.134 1.00 0.00 C ATOM 1926 C ASN A 131 7.596 7.346 -8.766 1.00 0.00 C ATOM 1927 O ASN A 131 8.823 7.463 -8.768 1.00 0.00 O ATOM 1928 CB ASN A 131 6.484 6.070 -10.599 1.00 0.00 C ATOM 1929 CG ASN A 131 6.252 4.695 -11.199 1.00 0.00 C ATOM 1930 OD1 ASN A 131 5.860 3.752 -10.513 1.00 0.00 O ATOM 1931 ND2 ASN A 131 6.507 4.573 -12.494 1.00 0.00 N ATOM 0 H ASN A 131 4.921 5.619 -8.713 1.00 0.00 H new ATOM 0 HA ASN A 131 7.664 5.218 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.563 6.649 -10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.236 6.594 -11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 131 6.380 3.673 -12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 131 6.831 5.379 -13.028 1.00 0.00 H new ATOM 1938 N ILE A 132 6.775 8.338 -8.437 1.00 0.00 N ATOM 1939 CA ILE A 132 7.273 9.661 -8.079 1.00 0.00 C ATOM 1940 C ILE A 132 8.127 9.596 -6.814 1.00 0.00 C ATOM 1941 O ILE A 132 9.275 10.039 -6.806 1.00 0.00 O ATOM 1942 CB ILE A 132 6.119 10.665 -7.865 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.274 10.785 -9.136 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.667 12.029 -7.460 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.064 11.684 -8.984 1.00 0.00 C ATOM 0 H ILE A 132 5.759 8.250 -8.411 1.00 0.00 H new ATOM 0 HA ILE A 132 7.885 10.007 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 132 5.484 10.295 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.900 11.167 -9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.941 9.791 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.840 12.724 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.230 11.934 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.323 12.405 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.516 11.719 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.415 11.292 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.389 12.689 -8.716 1.00 0.00 H new ATOM 1957 N LEU A 133 7.572 9.018 -5.755 1.00 0.00 N ATOM 1958 CA LEU A 133 8.269 8.939 -4.473 1.00 0.00 C ATOM 1959 C LEU A 133 9.457 7.986 -4.548 1.00 0.00 C ATOM 1960 O LEU A 133 10.405 8.097 -3.767 1.00 0.00 O ATOM 1961 CB LEU A 133 7.310 8.519 -3.354 1.00 0.00 C ATOM 1962 CG LEU A 133 6.535 9.665 -2.685 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.705 10.439 -3.696 1.00 0.00 C ATOM 1964 CD2 LEU A 133 5.648 9.126 -1.576 1.00 0.00 C ATOM 0 H LEU A 133 6.643 8.597 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 133 8.650 9.934 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.592 7.807 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.880 7.993 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 133 7.263 10.353 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 133 5.170 11.242 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 133 6.361 10.863 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.988 9.767 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.105 9.949 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 133 4.937 8.412 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.264 8.629 -0.827 1.00 0.00 H new ATOM 1976 N MET A 134 9.407 7.053 -5.489 1.00 0.00 N ATOM 1977 CA MET A 134 10.534 6.167 -5.742 1.00 0.00 C ATOM 1978 C MET A 134 11.707 6.966 -6.300 1.00 0.00 C ATOM 1979 O MET A 134 12.851 6.785 -5.886 1.00 0.00 O ATOM 1980 CB MET A 134 10.138 5.064 -6.727 1.00 0.00 C ATOM 1981 CG MET A 134 11.266 4.099 -7.056 1.00 0.00 C ATOM 1982 SD MET A 134 10.851 2.987 -8.415 1.00 0.00 S ATOM 1983 CE MET A 134 10.587 4.167 -9.737 1.00 0.00 C ATOM 0 H MET A 134 8.598 6.890 -6.089 1.00 0.00 H new ATOM 0 HA MET A 134 10.831 5.703 -4.801 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.302 4.502 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.785 5.524 -7.650 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.160 4.666 -7.315 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.506 3.511 -6.170 1.00 0.00 H new ATOM 0 HE1 MET A 134 11.056 3.801 -10.650 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.517 4.293 -9.904 1.00 0.00 H new ATOM 0 HE3 MET A 134 11.027 5.126 -9.462 1.00 0.00 H new ATOM 1993 N ALA A 135 11.405 7.870 -7.228 1.00 0.00 N ATOM 1994 CA ALA A 135 12.418 8.725 -7.839 1.00 0.00 C ATOM 1995 C ALA A 135 12.962 9.726 -6.826 1.00 0.00 C ATOM 1996 O ALA A 135 14.074 10.232 -6.970 1.00 0.00 O ATOM 1997 CB ALA A 135 11.840 9.449 -9.046 1.00 0.00 C ATOM 0 H ALA A 135 10.459 8.030 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 135 13.243 8.096 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.607 10.083 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.501 8.718 -9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.997 10.065 -8.732 1.00 0.00 H new ATOM 2003 N GLU A 136 12.167 10.000 -5.798 1.00 0.00 N ATOM 2004 CA GLU A 136 12.583 10.872 -4.705 1.00 0.00 C ATOM 2005 C GLU A 136 13.659 10.199 -3.854 1.00 0.00 C ATOM 2006 O GLU A 136 14.357 10.856 -3.082 1.00 0.00 O ATOM 2007 CB GLU A 136 11.383 11.217 -3.818 1.00 0.00 C ATOM 2008 CG GLU A 136 10.319 12.061 -4.498 1.00 0.00 C ATOM 2009 CD GLU A 136 10.774 13.482 -4.749 1.00 0.00 C ATOM 2010 OE1 GLU A 136 11.214 14.145 -3.789 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.671 13.955 -5.899 1.00 0.00 O ATOM 0 H GLU A 136 11.223 9.627 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 136 12.992 11.784 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.926 10.291 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.740 11.747 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.045 11.599 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.422 12.075 -3.879 1.00 0.00 H new ATOM 2018 N GLY A 137 13.788 8.885 -4.004 1.00 0.00 N ATOM 2019 CA GLY A 137 14.691 8.128 -3.162 1.00 0.00 C ATOM 2020 C GLY A 137 14.155 8.024 -1.752 1.00 0.00 C ATOM 2021 O GLY A 137 14.909 8.089 -0.779 1.00 0.00 O ATOM 0 H GLY A 137 13.282 8.332 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.830 7.130 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.670 8.607 -3.149 1.00 0.00 H new ATOM 2025 N ARG A 138 12.844 7.870 -1.652 1.00 0.00 N ATOM 2026 CA ARG A 138 12.162 7.865 -0.371 1.00 0.00 C ATOM 2027 C ARG A 138 11.530 6.498 -0.119 1.00 0.00 C ATOM 2028 O ARG A 138 11.178 5.790 -1.062 1.00 0.00 O ATOM 2029 CB ARG A 138 11.095 8.960 -0.371 1.00 0.00 C ATOM 2030 CG ARG A 138 10.540 9.287 1.001 1.00 0.00 C ATOM 2031 CD ARG A 138 9.594 10.472 0.933 1.00 0.00 C ATOM 2032 NE ARG A 138 9.245 10.966 2.259 1.00 0.00 N ATOM 2033 CZ ARG A 138 8.582 12.096 2.482 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.219 12.869 1.465 1.00 0.00 N ATOM 2035 NH2 ARG A 138 8.300 12.465 3.726 1.00 0.00 N ATOM 0 H ARG A 138 12.226 7.746 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 138 12.877 8.061 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.520 9.866 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.274 8.652 -1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.015 8.420 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.359 9.509 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.057 11.273 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.687 10.182 0.403 1.00 0.00 H new ATOM 0 HE ARG A 138 9.527 10.410 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.449 12.596 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.710 13.736 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.592 11.881 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.791 13.332 3.898 1.00 0.00 H new ATOM 2049 N ARG A 139 11.386 6.131 1.148 1.00 0.00 N ATOM 2050 CA ARG A 139 10.847 4.823 1.497 1.00 0.00 C ATOM 2051 C ARG A 139 9.326 4.815 1.397 1.00 0.00 C ATOM 2052 O ARG A 139 8.615 5.035 2.388 1.00 0.00 O ATOM 2053 CB ARG A 139 11.284 4.409 2.899 1.00 0.00 C ATOM 2054 CG ARG A 139 12.792 4.389 3.084 1.00 0.00 C ATOM 2055 CD ARG A 139 13.170 3.929 4.480 1.00 0.00 C ATOM 2056 NE ARG A 139 12.405 4.634 5.510 1.00 0.00 N ATOM 2057 CZ ARG A 139 11.814 4.023 6.534 1.00 0.00 C ATOM 2058 NH1 ARG A 139 11.980 2.719 6.713 1.00 0.00 N ATOM 2059 NH2 ARG A 139 11.067 4.718 7.386 1.00 0.00 N ATOM 0 H ARG A 139 11.633 6.716 1.946 1.00 0.00 H new ATOM 0 HA ARG A 139 11.244 4.101 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.846 5.095 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.886 3.418 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.242 3.726 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.196 5.386 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.997 2.857 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 139 14.235 4.094 4.641 1.00 0.00 H new ATOM 0 HE ARG A 139 12.320 5.648 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 139 12.560 2.185 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 139 11.527 2.250 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 139 10.945 5.722 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 139 10.615 4.247 8.170 1.00 0.00 H new ATOM 2073 N VAL A 140 8.839 4.589 0.190 1.00 0.00 N ATOM 2074 CA VAL A 140 7.414 4.511 -0.061 1.00 0.00 C ATOM 2075 C VAL A 140 6.984 3.059 -0.239 1.00 0.00 C ATOM 2076 O VAL A 140 7.611 2.297 -0.976 1.00 0.00 O ATOM 2077 CB VAL A 140 7.015 5.343 -1.307 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.814 4.921 -2.534 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.520 5.235 -1.578 1.00 0.00 C ATOM 0 H VAL A 140 9.418 4.455 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 140 6.900 4.930 0.804 1.00 0.00 H new ATOM 0 HB VAL A 140 7.251 6.386 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.511 5.523 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.877 5.069 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.627 3.868 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.266 5.827 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.257 4.192 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.966 5.608 -0.716 1.00 0.00 H new ATOM 2089 N VAL A 141 5.941 2.668 0.471 1.00 0.00 N ATOM 2090 CA VAL A 141 5.376 1.338 0.320 1.00 0.00 C ATOM 2091 C VAL A 141 3.966 1.461 -0.231 1.00 0.00 C ATOM 2092 O VAL A 141 3.164 2.237 0.287 1.00 0.00 O ATOM 2093 CB VAL A 141 5.339 0.571 1.659 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.913 -0.875 1.443 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.690 0.635 2.358 1.00 0.00 C ATOM 0 H VAL A 141 5.467 3.253 1.159 1.00 0.00 H new ATOM 0 HA VAL A 141 6.010 0.776 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 141 4.601 1.051 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.894 -1.396 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.918 -0.899 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.621 -1.367 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.639 0.087 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.452 0.188 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.948 1.675 2.557 1.00 0.00 H new ATOM 2105 N VAL A 142 3.667 0.724 -1.283 1.00 0.00 N ATOM 2106 CA VAL A 142 2.358 0.813 -1.904 1.00 0.00 C ATOM 2107 C VAL A 142 1.610 -0.509 -1.784 1.00 0.00 C ATOM 2108 O VAL A 142 2.196 -1.584 -1.929 1.00 0.00 O ATOM 2109 CB VAL A 142 2.459 1.237 -3.388 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.086 0.143 -4.240 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.095 1.633 -3.931 1.00 0.00 C ATOM 0 H VAL A 142 4.306 0.062 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 142 1.799 1.582 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 142 3.113 2.108 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.141 0.476 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.090 -0.073 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.477 -0.759 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.191 1.927 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.413 0.786 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.702 2.470 -3.353 1.00 0.00 H new ATOM 2121 N ALA A 143 0.326 -0.417 -1.486 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.533 -1.583 -1.420 1.00 0.00 C ATOM 2123 C ALA A 143 -1.636 -1.466 -2.459 1.00 0.00 C ATOM 2124 O ALA A 143 -2.564 -0.679 -2.302 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.120 -1.738 -0.024 1.00 0.00 C ATOM 0 H ALA A 143 -0.147 0.464 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 143 0.059 -2.473 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.762 -2.619 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.313 -1.853 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.706 -0.853 0.224 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.519 -2.233 -3.525 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.480 -2.181 -4.613 1.00 0.00 C ATOM 2133 C LEU A 144 -3.454 -3.340 -4.491 1.00 0.00 C ATOM 2134 O LEU A 144 -3.042 -4.479 -4.278 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.755 -2.224 -5.959 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.721 -1.115 -6.167 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.014 -1.305 -7.480 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.388 0.251 -6.130 1.00 0.00 C ATOM 0 H LEU A 144 -0.763 -2.904 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.038 -1.247 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.257 -3.189 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.496 -2.165 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 144 0.004 -1.171 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.744 -0.506 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.527 -2.267 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.700 -1.279 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.637 1.027 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.136 0.312 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.870 0.394 -5.163 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.742 -3.050 -4.620 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.771 -4.054 -4.387 1.00 0.00 C ATOM 2152 C LEU A 145 -6.607 -4.293 -5.646 1.00 0.00 C ATOM 2153 O LEU A 145 -7.630 -3.641 -5.851 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.669 -3.605 -3.225 1.00 0.00 C ATOM 2155 CG LEU A 145 -7.274 -4.720 -2.363 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.964 -4.119 -1.149 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -8.258 -5.570 -3.153 1.00 0.00 C ATOM 0 H LEU A 145 -5.098 -2.131 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.287 -4.996 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -6.088 -2.949 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.484 -3.008 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 145 -6.461 -5.369 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.391 -4.917 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.238 -3.561 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.758 -3.448 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.665 -6.349 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -9.069 -4.941 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -7.745 -6.030 -3.998 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.157 -5.199 -6.527 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.932 -5.637 -7.676 1.00 0.00 C ATOM 2171 C PRO A 146 -7.756 -6.884 -7.352 1.00 0.00 C ATOM 2172 O PRO A 146 -8.023 -7.163 -6.182 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.845 -5.946 -8.702 1.00 0.00 C ATOM 2174 CG PRO A 146 -4.658 -6.378 -7.900 1.00 0.00 C ATOM 2175 CD PRO A 146 -4.843 -5.850 -6.494 1.00 0.00 C ATOM 0 HA PRO A 146 -7.659 -4.900 -8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.163 -6.731 -9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.614 -5.069 -9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -4.574 -7.465 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -3.738 -5.990 -8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -4.815 -6.654 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.056 -5.146 -6.226 1.00 0.00 H new