USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 44 ASN : amide:sc= -7.5! C(o=-9.4!,f=-10!) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.87! K(o=-9.4!,f=-7.6) USER MOD Single : A 17 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.44) USER MOD Single : A 18 GLN : amide:sc= -0.0264 K(o=-0.026,f=-2.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 23 GLN : amide:sc= -9.71! C(o=-9.7!,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot -18:sc= -0.0842! USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.097 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 159:sc= -0.945 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.46) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -5.83! C(o=-5.8!,f=-4.7!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 55:sc= -1.82! USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -20.657 -29.944 -15.860 1.00 0.00 N ATOM 251 CA GLN A 17 -22.093 -29.793 -15.652 1.00 0.00 C ATOM 252 C GLN A 17 -22.523 -30.504 -14.374 1.00 0.00 C ATOM 253 O GLN A 17 -23.561 -30.184 -13.794 1.00 0.00 O ATOM 254 CB GLN A 17 -22.861 -30.372 -16.843 1.00 0.00 C ATOM 255 CG GLN A 17 -23.415 -29.232 -17.701 1.00 0.00 C ATOM 256 CD GLN A 17 -22.276 -28.339 -18.182 1.00 0.00 C ATOM 257 OE1 GLN A 17 -21.999 -27.304 -17.576 1.00 0.00 O ATOM 258 NE2 GLN A 17 -21.595 -28.680 -19.243 1.00 0.00 N ATOM 0 HA GLN A 17 -22.318 -28.730 -15.560 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -22.203 -31.003 -17.440 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -23.676 -31.004 -16.490 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -23.955 -29.639 -18.556 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -24.129 -28.645 -17.123 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -21.826 -29.538 -19.743 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -20.832 -28.088 -19.571 1.00 0.00 H new ATOM 267 N GLN A 18 -21.716 -31.467 -13.939 1.00 0.00 N ATOM 268 CA GLN A 18 -22.021 -32.216 -12.727 1.00 0.00 C ATOM 269 C GLN A 18 -22.215 -31.270 -11.549 1.00 0.00 C ATOM 270 O GLN A 18 -23.150 -31.423 -10.764 1.00 0.00 O ATOM 271 CB GLN A 18 -20.884 -33.189 -12.411 1.00 0.00 C ATOM 272 CG GLN A 18 -21.321 -34.616 -12.745 1.00 0.00 C ATOM 273 CD GLN A 18 -22.117 -35.201 -11.583 1.00 0.00 C ATOM 274 OE1 GLN A 18 -22.715 -34.459 -10.804 1.00 0.00 O ATOM 275 NE2 GLN A 18 -22.160 -36.495 -11.419 1.00 0.00 N ATOM 0 H GLN A 18 -20.852 -31.745 -14.405 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.943 -32.773 -12.892 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.996 -32.926 -12.986 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.614 -33.118 -11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.928 -34.617 -13.650 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.447 -35.235 -12.947 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.664 -37.108 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.690 -36.894 -10.644 1.00 0.00 H new ATOM 284 N THR A 19 -21.318 -30.298 -11.426 1.00 0.00 N ATOM 285 CA THR A 19 -21.397 -29.340 -10.331 1.00 0.00 C ATOM 286 C THR A 19 -22.599 -28.423 -10.506 1.00 0.00 C ATOM 287 O THR A 19 -23.331 -28.145 -9.556 1.00 0.00 O ATOM 288 CB THR A 19 -20.096 -28.525 -10.256 1.00 0.00 C ATOM 289 OG1 THR A 19 -19.655 -28.474 -8.906 1.00 0.00 O ATOM 290 CG2 THR A 19 -20.321 -27.100 -10.771 1.00 0.00 C ATOM 0 H THR A 19 -20.535 -30.154 -12.064 1.00 0.00 H new ATOM 0 HA THR A 19 -21.524 -29.884 -9.395 1.00 0.00 H new ATOM 0 HB THR A 19 -19.342 -29.006 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.824 -27.957 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.388 -26.539 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 19 -20.655 -27.136 -11.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 -21.080 -26.609 -10.162 1.00 0.00 H new ATOM 298 N PHE A 20 -22.790 -27.968 -11.727 1.00 0.00 N ATOM 299 CA PHE A 20 -23.904 -27.082 -12.049 1.00 0.00 C ATOM 300 C PHE A 20 -25.217 -27.669 -11.537 1.00 0.00 C ATOM 301 O PHE A 20 -25.923 -27.047 -10.738 1.00 0.00 O ATOM 302 CB PHE A 20 -23.982 -26.887 -13.565 1.00 0.00 C ATOM 303 CG PHE A 20 -25.087 -25.917 -13.902 1.00 0.00 C ATOM 304 CD1 PHE A 20 -26.413 -26.361 -13.960 1.00 0.00 C ATOM 305 CD2 PHE A 20 -24.786 -24.575 -14.158 1.00 0.00 C ATOM 306 CE1 PHE A 20 -27.438 -25.462 -14.277 1.00 0.00 C ATOM 307 CE2 PHE A 20 -25.811 -23.677 -14.475 1.00 0.00 C ATOM 308 CZ PHE A 20 -27.136 -24.120 -14.534 1.00 0.00 C ATOM 0 H PHE A 20 -22.189 -28.195 -12.520 1.00 0.00 H new ATOM 0 HA PHE A 20 -23.740 -26.119 -11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -23.030 -26.512 -13.942 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -24.164 -27.844 -14.055 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -26.645 -27.397 -13.760 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -23.763 -24.232 -14.111 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -28.461 -25.804 -14.323 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.579 -22.641 -14.674 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.927 -23.426 -14.778 1.00 0.00 H new ATOM 318 N LEU A 21 -25.535 -28.873 -11.997 1.00 0.00 N ATOM 319 CA LEU A 21 -26.760 -29.539 -11.575 1.00 0.00 C ATOM 320 C LEU A 21 -26.703 -29.838 -10.082 1.00 0.00 C ATOM 321 O LEU A 21 -27.681 -29.641 -9.363 1.00 0.00 O ATOM 322 CB LEU A 21 -26.952 -30.838 -12.360 1.00 0.00 C ATOM 323 CG LEU A 21 -26.749 -30.571 -13.855 1.00 0.00 C ATOM 324 CD1 LEU A 21 -26.532 -31.896 -14.590 1.00 0.00 C ATOM 325 CD2 LEU A 21 -27.988 -29.874 -14.424 1.00 0.00 C ATOM 0 H LEU A 21 -24.967 -29.404 -12.657 1.00 0.00 H new ATOM 0 HA LEU A 21 -27.605 -28.879 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -26.243 -31.591 -12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -27.951 -31.237 -12.184 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.876 -29.933 -13.990 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.388 -31.703 -15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.650 -32.394 -14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -27.404 -32.536 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -27.843 -29.684 -15.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -28.861 -30.512 -14.285 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -28.144 -28.928 -13.905 1.00 0.00 H new ATOM 337 N ASN A 22 -25.547 -30.299 -9.619 1.00 0.00 N ATOM 338 CA ASN A 22 -25.381 -30.602 -8.205 1.00 0.00 C ATOM 339 C ASN A 22 -25.866 -29.422 -7.370 1.00 0.00 C ATOM 340 O ASN A 22 -26.529 -29.601 -6.349 1.00 0.00 O ATOM 341 CB ASN A 22 -23.910 -30.883 -7.897 1.00 0.00 C ATOM 342 CG ASN A 22 -23.724 -31.125 -6.403 1.00 0.00 C ATOM 343 OD1 ASN A 22 -22.867 -30.503 -5.775 1.00 0.00 O ATOM 344 ND2 ASN A 22 -24.480 -31.997 -5.794 1.00 0.00 N ATOM 0 H ASN A 22 -24.722 -30.469 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 22 -25.968 -31.487 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -23.573 -31.754 -8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -23.296 -30.041 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -24.362 -32.165 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -25.189 -32.511 -6.317 1.00 0.00 H new ATOM 351 N GLN A 23 -25.536 -28.215 -7.822 1.00 0.00 N ATOM 352 CA GLN A 23 -25.953 -27.008 -7.114 1.00 0.00 C ATOM 353 C GLN A 23 -27.473 -26.940 -7.046 1.00 0.00 C ATOM 354 O GLN A 23 -28.045 -26.677 -5.988 1.00 0.00 O ATOM 355 CB GLN A 23 -25.415 -25.754 -7.815 1.00 0.00 C ATOM 356 CG GLN A 23 -24.261 -25.167 -6.999 1.00 0.00 C ATOM 357 CD GLN A 23 -23.212 -26.242 -6.731 1.00 0.00 C ATOM 358 OE1 GLN A 23 -22.373 -26.083 -5.843 1.00 0.00 O ATOM 359 NE2 GLN A 23 -23.207 -27.330 -7.448 1.00 0.00 N ATOM 0 H GLN A 23 -24.987 -28.047 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 23 -25.546 -27.048 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -25.073 -26.004 -8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.210 -25.016 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.810 -24.334 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -24.637 -24.770 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.902 -27.460 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.508 -28.052 -7.274 1.00 0.00 H new ATOM 368 N LEU A 24 -28.126 -27.188 -8.178 1.00 0.00 N ATOM 369 CA LEU A 24 -29.584 -27.159 -8.213 1.00 0.00 C ATOM 370 C LEU A 24 -30.149 -28.016 -7.082 1.00 0.00 C ATOM 371 O LEU A 24 -30.885 -27.536 -6.228 1.00 0.00 O ATOM 372 CB LEU A 24 -30.100 -27.687 -9.554 1.00 0.00 C ATOM 373 CG LEU A 24 -29.953 -26.616 -10.637 1.00 0.00 C ATOM 374 CD1 LEU A 24 -30.271 -27.226 -12.006 1.00 0.00 C ATOM 375 CD2 LEU A 24 -30.932 -25.476 -10.355 1.00 0.00 C ATOM 0 H LEU A 24 -27.678 -27.407 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -29.910 -26.126 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -29.545 -28.581 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.146 -27.978 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -28.932 -26.235 -10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -30.166 -26.463 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -29.580 -28.044 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -31.293 -27.605 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -30.831 -24.711 -11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -31.951 -25.862 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -30.713 -25.041 -9.380 1.00 0.00 H new ATOM 387 N ARG A 25 -29.781 -29.288 -7.072 1.00 0.00 N ATOM 388 CA ARG A 25 -30.243 -30.199 -6.036 1.00 0.00 C ATOM 389 C ARG A 25 -29.791 -29.700 -4.675 1.00 0.00 C ATOM 390 O ARG A 25 -30.290 -30.136 -3.638 1.00 0.00 O ATOM 391 CB ARG A 25 -29.676 -31.602 -6.279 1.00 0.00 C ATOM 392 CG ARG A 25 -30.215 -32.565 -5.217 1.00 0.00 C ATOM 393 CD ARG A 25 -29.193 -32.714 -4.088 1.00 0.00 C ATOM 394 NE ARG A 25 -28.350 -33.886 -4.318 1.00 0.00 N ATOM 395 CZ ARG A 25 -28.333 -34.916 -3.471 1.00 0.00 C ATOM 396 NH1 ARG A 25 -29.080 -34.907 -2.398 1.00 0.00 N ATOM 397 NH2 ARG A 25 -27.565 -35.943 -3.715 1.00 0.00 N ATOM 0 H ARG A 25 -29.166 -29.712 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 25 -31.332 -30.243 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -29.953 -31.950 -7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -28.587 -31.577 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -31.159 -32.191 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -30.421 -33.537 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -28.574 -31.819 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -29.708 -32.810 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 25 -27.759 -33.917 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -29.683 -34.108 -2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -29.060 -35.699 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -26.981 -35.956 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.549 -36.733 -3.070 1.00 0.00 H new ATOM 411 N GLU A 26 -28.812 -28.805 -4.693 1.00 0.00 N ATOM 412 CA GLU A 26 -28.258 -28.275 -3.459 1.00 0.00 C ATOM 413 C GLU A 26 -29.139 -27.193 -2.833 1.00 0.00 C ATOM 414 O GLU A 26 -29.402 -27.228 -1.630 1.00 0.00 O ATOM 415 CB GLU A 26 -26.863 -27.706 -3.718 1.00 0.00 C ATOM 416 CG GLU A 26 -26.054 -27.733 -2.419 1.00 0.00 C ATOM 417 CD GLU A 26 -24.769 -26.931 -2.587 1.00 0.00 C ATOM 418 OE1 GLU A 26 -24.325 -26.789 -3.714 1.00 0.00 O ATOM 419 OE2 GLU A 26 -24.246 -26.470 -1.585 1.00 0.00 O ATOM 0 H GLU A 26 -28.389 -28.434 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 26 -28.206 -29.104 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -26.357 -28.290 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -26.938 -26.685 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -26.647 -27.319 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -25.817 -28.762 -2.150 1.00 0.00 H new ATOM 426 N ILE A 27 -29.568 -26.213 -3.628 1.00 0.00 N ATOM 427 CA ILE A 27 -30.381 -25.125 -3.084 1.00 0.00 C ATOM 428 C ILE A 27 -31.865 -25.423 -3.138 1.00 0.00 C ATOM 429 O ILE A 27 -32.586 -25.182 -2.170 1.00 0.00 O ATOM 430 CB ILE A 27 -30.090 -23.797 -3.810 1.00 0.00 C ATOM 431 CG1 ILE A 27 -30.914 -23.629 -5.088 1.00 0.00 C ATOM 432 CG2 ILE A 27 -28.635 -23.751 -4.210 1.00 0.00 C ATOM 433 CD1 ILE A 27 -30.335 -24.521 -6.186 1.00 0.00 C ATOM 0 H ILE A 27 -29.373 -26.149 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 27 -30.100 -25.031 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.351 -23.000 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -31.955 -23.893 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -30.902 -22.587 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.428 -22.812 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.010 -23.823 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -28.414 -24.585 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -30.921 -24.403 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.301 -24.235 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.370 -25.562 -5.865 1.00 0.00 H new ATOM 445 N THR A 28 -32.335 -25.896 -4.276 1.00 0.00 N ATOM 446 CA THR A 28 -33.750 -26.148 -4.415 1.00 0.00 C ATOM 447 C THR A 28 -34.116 -27.554 -3.934 1.00 0.00 C ATOM 448 O THR A 28 -35.290 -27.921 -3.894 1.00 0.00 O ATOM 449 CB THR A 28 -34.180 -25.908 -5.861 1.00 0.00 C ATOM 450 OG1 THR A 28 -35.522 -26.335 -6.040 1.00 0.00 O ATOM 451 CG2 THR A 28 -33.266 -26.667 -6.812 1.00 0.00 C ATOM 0 H THR A 28 -31.771 -26.109 -5.099 1.00 0.00 H new ATOM 0 HA THR A 28 -34.295 -25.451 -3.779 1.00 0.00 H new ATOM 0 HB THR A 28 -34.110 -24.842 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 28 -35.776 -26.933 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 28 -33.582 -26.489 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 28 -32.240 -26.323 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 28 -33.321 -27.734 -6.595 1.00 0.00 H new ATOM 459 N GLY A 29 -33.100 -28.316 -3.535 1.00 0.00 N ATOM 460 CA GLY A 29 -33.311 -29.666 -3.015 1.00 0.00 C ATOM 461 C GLY A 29 -34.006 -30.582 -4.019 1.00 0.00 C ATOM 462 O GLY A 29 -34.759 -31.475 -3.628 1.00 0.00 O ATOM 0 H GLY A 29 -32.123 -28.023 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -32.350 -30.099 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -33.909 -29.611 -2.105 1.00 0.00 H new ATOM 466 N ILE A 30 -33.751 -30.373 -5.303 1.00 0.00 N ATOM 467 CA ILE A 30 -34.366 -31.214 -6.326 1.00 0.00 C ATOM 468 C ILE A 30 -33.481 -32.424 -6.619 1.00 0.00 C ATOM 469 O ILE A 30 -32.283 -32.282 -6.866 1.00 0.00 O ATOM 470 CB ILE A 30 -34.587 -30.406 -7.604 1.00 0.00 C ATOM 471 CG1 ILE A 30 -35.565 -29.263 -7.320 1.00 0.00 C ATOM 472 CG2 ILE A 30 -35.165 -31.314 -8.689 1.00 0.00 C ATOM 473 CD1 ILE A 30 -36.867 -29.834 -6.753 1.00 0.00 C ATOM 0 H ILE A 30 -33.134 -29.643 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 30 -35.330 -31.566 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 30 -33.636 -29.996 -7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.125 -28.561 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -35.767 -28.707 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -35.322 -30.737 -9.600 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -34.469 -32.128 -8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -36.116 -31.725 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -37.563 -29.020 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -37.309 -30.519 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -36.657 -30.370 -5.828 1.00 0.00 H new ATOM 485 N ASN A 31 -34.075 -33.615 -6.573 1.00 0.00 N ATOM 486 CA ASN A 31 -33.324 -34.846 -6.820 1.00 0.00 C ATOM 487 C ASN A 31 -33.421 -35.271 -8.284 1.00 0.00 C ATOM 488 O ASN A 31 -32.413 -35.591 -8.912 1.00 0.00 O ATOM 489 CB ASN A 31 -33.858 -35.971 -5.926 1.00 0.00 C ATOM 490 CG ASN A 31 -32.797 -36.386 -4.910 1.00 0.00 C ATOM 491 OD1 ASN A 31 -31.827 -37.058 -5.265 1.00 0.00 O ATOM 492 ND2 ASN A 31 -32.925 -36.027 -3.663 1.00 0.00 N ATOM 0 H ASN A 31 -35.065 -33.754 -6.369 1.00 0.00 H new ATOM 0 HA ASN A 31 -32.277 -34.653 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -34.757 -35.638 -5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -34.141 -36.828 -6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -32.221 -36.302 -2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -33.729 -35.471 -3.372 1.00 0.00 H new ATOM 499 N ASP A 32 -34.638 -35.279 -8.819 1.00 0.00 N ATOM 500 CA ASP A 32 -34.844 -35.675 -10.207 1.00 0.00 C ATOM 501 C ASP A 32 -33.748 -35.097 -11.098 1.00 0.00 C ATOM 502 O ASP A 32 -33.804 -33.933 -11.494 1.00 0.00 O ATOM 503 CB ASP A 32 -36.211 -35.188 -10.690 1.00 0.00 C ATOM 504 CG ASP A 32 -36.873 -36.261 -11.548 1.00 0.00 C ATOM 505 OD1 ASP A 32 -36.509 -36.373 -12.707 1.00 0.00 O ATOM 506 OD2 ASP A 32 -37.734 -36.955 -11.033 1.00 0.00 O ATOM 0 H ASP A 32 -35.488 -35.019 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 32 -34.805 -36.763 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -36.845 -34.952 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -36.097 -34.270 -11.266 1.00 0.00 H new ATOM 511 N THR A 33 -32.749 -35.919 -11.399 1.00 0.00 N ATOM 512 CA THR A 33 -31.632 -35.487 -12.234 1.00 0.00 C ATOM 513 C THR A 33 -32.100 -35.112 -13.638 1.00 0.00 C ATOM 514 O THR A 33 -31.423 -34.365 -14.344 1.00 0.00 O ATOM 515 CB THR A 33 -30.592 -36.607 -12.327 1.00 0.00 C ATOM 516 OG1 THR A 33 -30.872 -37.594 -11.344 1.00 0.00 O ATOM 517 CG2 THR A 33 -29.193 -36.031 -12.091 1.00 0.00 C ATOM 0 H THR A 33 -32.689 -36.886 -11.079 1.00 0.00 H new ATOM 0 HA THR A 33 -31.189 -34.604 -11.773 1.00 0.00 H new ATOM 0 HB THR A 33 -30.633 -37.058 -13.318 1.00 0.00 H new ATOM 0 HG1 THR A 33 -30.208 -38.312 -11.403 1.00 0.00 H new ATOM 0 HG21 THR A 33 -28.455 -36.830 -12.158 1.00 0.00 H new ATOM 0 HG22 THR A 33 -28.979 -35.275 -12.846 1.00 0.00 H new ATOM 0 HG23 THR A 33 -29.149 -35.578 -11.101 1.00 0.00 H new ATOM 525 N GLN A 34 -33.253 -35.634 -14.043 1.00 0.00 N ATOM 526 CA GLN A 34 -33.782 -35.338 -15.372 1.00 0.00 C ATOM 527 C GLN A 34 -34.403 -33.946 -15.408 1.00 0.00 C ATOM 528 O GLN A 34 -34.251 -33.215 -16.386 1.00 0.00 O ATOM 529 CB GLN A 34 -34.842 -36.375 -15.766 1.00 0.00 C ATOM 530 CG GLN A 34 -34.213 -37.527 -16.564 1.00 0.00 C ATOM 531 CD GLN A 34 -35.182 -37.993 -17.645 1.00 0.00 C ATOM 532 OE1 GLN A 34 -36.120 -38.738 -17.360 1.00 0.00 O ATOM 533 NE2 GLN A 34 -35.011 -37.595 -18.877 1.00 0.00 N ATOM 0 H GLN A 34 -33.833 -36.256 -13.480 1.00 0.00 H new ATOM 0 HA GLN A 34 -32.954 -35.377 -16.080 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -35.322 -36.768 -14.870 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -35.620 -35.897 -16.361 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -33.277 -37.200 -17.017 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -33.972 -38.355 -15.897 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -34.233 -36.978 -19.110 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -35.655 -37.901 -19.606 1.00 0.00 H new ATOM 542 N ILE A 35 -35.106 -33.582 -14.342 1.00 0.00 N ATOM 543 CA ILE A 35 -35.741 -32.272 -14.281 1.00 0.00 C ATOM 544 C ILE A 35 -34.693 -31.182 -14.085 1.00 0.00 C ATOM 545 O ILE A 35 -34.935 -30.015 -14.389 1.00 0.00 O ATOM 546 CB ILE A 35 -36.749 -32.227 -13.132 1.00 0.00 C ATOM 547 CG1 ILE A 35 -37.749 -33.377 -13.293 1.00 0.00 C ATOM 548 CG2 ILE A 35 -37.496 -30.891 -13.159 1.00 0.00 C ATOM 549 CD1 ILE A 35 -38.341 -33.343 -14.704 1.00 0.00 C ATOM 0 H ILE A 35 -35.249 -34.167 -13.519 1.00 0.00 H new ATOM 0 HA ILE A 35 -36.262 -32.098 -15.222 1.00 0.00 H new ATOM 0 HB ILE A 35 -36.226 -32.328 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -37.253 -34.332 -13.118 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -38.543 -33.289 -12.551 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -38.214 -30.859 -12.340 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -36.784 -30.073 -13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -38.023 -30.788 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -39.053 -34.161 -14.820 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -38.851 -32.393 -14.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -37.541 -33.451 -15.437 1.00 0.00 H new ATOM 561 N LEU A 36 -33.527 -31.571 -13.577 1.00 0.00 N ATOM 562 CA LEU A 36 -32.454 -30.611 -13.350 1.00 0.00 C ATOM 563 C LEU A 36 -31.788 -30.244 -14.667 1.00 0.00 C ATOM 564 O LEU A 36 -31.846 -29.094 -15.103 1.00 0.00 O ATOM 565 CB LEU A 36 -31.416 -31.202 -12.395 1.00 0.00 C ATOM 566 CG LEU A 36 -32.031 -31.345 -11.005 1.00 0.00 C ATOM 567 CD1 LEU A 36 -31.022 -31.999 -10.063 1.00 0.00 C ATOM 568 CD2 LEU A 36 -32.397 -29.961 -10.467 1.00 0.00 C ATOM 0 H LEU A 36 -33.303 -32.532 -13.318 1.00 0.00 H new ATOM 0 HA LEU A 36 -32.880 -29.712 -12.905 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -31.082 -32.174 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -30.537 -30.559 -12.352 1.00 0.00 H new ATOM 0 HG LEU A 36 -32.926 -31.964 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -31.463 -32.100 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -30.755 -32.985 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -30.127 -31.379 -10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -32.836 -30.061 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -31.500 -29.345 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -33.116 -29.489 -11.136 1.00 0.00 H new ATOM 580 N GLN A 37 -31.170 -31.229 -15.310 1.00 0.00 N ATOM 581 CA GLN A 37 -30.521 -30.982 -16.587 1.00 0.00 C ATOM 582 C GLN A 37 -31.487 -30.236 -17.493 1.00 0.00 C ATOM 583 O GLN A 37 -31.080 -29.493 -18.387 1.00 0.00 O ATOM 584 CB GLN A 37 -30.105 -32.305 -17.234 1.00 0.00 C ATOM 585 CG GLN A 37 -31.330 -33.208 -17.384 1.00 0.00 C ATOM 586 CD GLN A 37 -31.599 -33.477 -18.861 1.00 0.00 C ATOM 587 OE1 GLN A 37 -32.700 -33.224 -19.348 1.00 0.00 O ATOM 588 NE2 GLN A 37 -30.650 -33.979 -19.604 1.00 0.00 N ATOM 0 H GLN A 37 -31.106 -32.190 -14.973 1.00 0.00 H new ATOM 0 HA GLN A 37 -29.625 -30.381 -16.432 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -29.655 -32.119 -18.209 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -29.349 -32.799 -16.623 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -31.166 -34.149 -16.858 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -32.199 -32.735 -16.927 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -29.739 -34.187 -19.196 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -30.820 -34.163 -20.593 1.00 0.00 H new ATOM 597 N GLN A 38 -32.777 -30.429 -17.231 1.00 0.00 N ATOM 598 CA GLN A 38 -33.815 -29.760 -17.999 1.00 0.00 C ATOM 599 C GLN A 38 -33.873 -28.288 -17.608 1.00 0.00 C ATOM 600 O GLN A 38 -34.081 -27.417 -18.451 1.00 0.00 O ATOM 601 CB GLN A 38 -35.171 -30.416 -17.735 1.00 0.00 C ATOM 602 CG GLN A 38 -36.262 -29.657 -18.492 1.00 0.00 C ATOM 603 CD GLN A 38 -37.604 -30.361 -18.320 1.00 0.00 C ATOM 604 OE1 GLN A 38 -38.448 -30.313 -19.216 1.00 0.00 O ATOM 605 NE2 GLN A 38 -37.855 -31.013 -17.219 1.00 0.00 N ATOM 0 H GLN A 38 -33.125 -31.042 -16.494 1.00 0.00 H new ATOM 0 HA GLN A 38 -33.581 -29.845 -19.060 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -35.151 -31.458 -18.053 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -35.386 -30.413 -16.666 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -36.329 -28.634 -18.121 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -36.007 -29.597 -19.550 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -37.155 -31.052 -16.478 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -38.751 -31.484 -17.099 1.00 0.00 H new ATOM 614 N ALA A 39 -33.673 -28.019 -16.318 1.00 0.00 N ATOM 615 CA ALA A 39 -33.690 -26.646 -15.829 1.00 0.00 C ATOM 616 C ALA A 39 -32.600 -25.840 -16.522 1.00 0.00 C ATOM 617 O ALA A 39 -32.822 -24.705 -16.932 1.00 0.00 O ATOM 618 CB ALA A 39 -33.478 -26.615 -14.313 1.00 0.00 C ATOM 0 H ALA A 39 -33.500 -28.725 -15.603 1.00 0.00 H new ATOM 0 HA ALA A 39 -34.662 -26.206 -16.053 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -33.493 -25.582 -13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -34.274 -27.175 -13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.515 -27.065 -14.071 1.00 0.00 H new ATOM 624 N LEU A 40 -31.424 -26.446 -16.660 1.00 0.00 N ATOM 625 CA LEU A 40 -30.301 -25.786 -17.314 1.00 0.00 C ATOM 626 C LEU A 40 -30.589 -25.596 -18.803 1.00 0.00 C ATOM 627 O LEU A 40 -30.207 -24.586 -19.395 1.00 0.00 O ATOM 628 CB LEU A 40 -29.020 -26.616 -17.106 1.00 0.00 C ATOM 629 CG LEU A 40 -28.347 -26.937 -18.447 1.00 0.00 C ATOM 630 CD1 LEU A 40 -27.903 -25.638 -19.125 1.00 0.00 C ATOM 631 CD2 LEU A 40 -27.125 -27.825 -18.197 1.00 0.00 C ATOM 0 H LEU A 40 -31.225 -27.390 -16.328 1.00 0.00 H new ATOM 0 HA LEU A 40 -30.156 -24.801 -16.870 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -28.326 -26.067 -16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -29.264 -27.543 -16.587 1.00 0.00 H new ATOM 0 HG LEU A 40 -29.054 -27.457 -19.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -27.425 -25.869 -20.077 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -28.772 -25.003 -19.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -27.195 -25.115 -18.482 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -26.643 -28.056 -19.147 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -26.421 -27.301 -17.551 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -27.440 -28.751 -17.715 1.00 0.00 H new ATOM 643 N LYS A 41 -31.271 -26.568 -19.402 1.00 0.00 N ATOM 644 CA LYS A 41 -31.604 -26.488 -20.818 1.00 0.00 C ATOM 645 C LYS A 41 -32.316 -25.174 -21.113 1.00 0.00 C ATOM 646 O LYS A 41 -32.051 -24.528 -22.127 1.00 0.00 O ATOM 647 CB LYS A 41 -32.498 -27.667 -21.220 1.00 0.00 C ATOM 648 CG LYS A 41 -31.625 -28.846 -21.658 1.00 0.00 C ATOM 649 CD LYS A 41 -31.268 -28.700 -23.140 1.00 0.00 C ATOM 650 CE LYS A 41 -30.745 -30.035 -23.673 1.00 0.00 C ATOM 651 NZ LYS A 41 -31.836 -30.739 -24.404 1.00 0.00 N ATOM 0 H LYS A 41 -31.601 -27.412 -18.933 1.00 0.00 H new ATOM 0 HA LYS A 41 -30.682 -26.531 -21.397 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -33.129 -27.960 -20.381 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -33.163 -27.372 -22.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -30.717 -28.882 -21.057 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -32.154 -29.784 -21.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -32.145 -28.388 -23.707 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -30.513 -27.924 -23.268 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -29.897 -29.867 -24.337 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -30.387 -30.653 -22.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -31.481 -31.647 -24.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -32.632 -30.912 -23.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -32.157 -30.150 -25.199 1.00 0.00 H new ATOM 665 N ASP A 42 -33.217 -24.780 -20.217 1.00 0.00 N ATOM 666 CA ASP A 42 -33.952 -23.538 -20.392 1.00 0.00 C ATOM 667 C ASP A 42 -33.170 -22.366 -19.800 1.00 0.00 C ATOM 668 O ASP A 42 -33.359 -21.217 -20.199 1.00 0.00 O ATOM 669 CB ASP A 42 -35.327 -23.640 -19.726 1.00 0.00 C ATOM 670 CG ASP A 42 -35.165 -23.903 -18.234 1.00 0.00 C ATOM 671 OD1 ASP A 42 -34.329 -23.254 -17.628 1.00 0.00 O ATOM 672 OD2 ASP A 42 -35.881 -24.747 -17.720 1.00 0.00 O ATOM 0 H ASP A 42 -33.452 -25.299 -19.371 1.00 0.00 H new ATOM 0 HA ASP A 42 -34.087 -23.364 -21.459 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -35.885 -22.717 -19.882 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -35.904 -24.443 -20.185 1.00 0.00 H new ATOM 677 N SER A 43 -32.291 -22.669 -18.847 1.00 0.00 N ATOM 678 CA SER A 43 -31.483 -21.636 -18.204 1.00 0.00 C ATOM 679 C SER A 43 -30.331 -21.212 -19.109 1.00 0.00 C ATOM 680 O SER A 43 -29.615 -20.257 -18.813 1.00 0.00 O ATOM 681 CB SER A 43 -30.925 -22.160 -16.883 1.00 0.00 C ATOM 682 OG SER A 43 -29.533 -22.411 -17.029 1.00 0.00 O ATOM 0 H SER A 43 -32.121 -23.615 -18.505 1.00 0.00 H new ATOM 0 HA SER A 43 -32.119 -20.771 -18.015 1.00 0.00 H new ATOM 0 HB2 SER A 43 -31.094 -21.432 -16.089 1.00 0.00 H new ATOM 0 HB3 SER A 43 -31.443 -23.074 -16.593 1.00 0.00 H new ATOM 0 HG SER A 43 -29.108 -22.418 -16.146 1.00 0.00 H new ATOM 688 N ASN A 44 -30.161 -21.928 -20.212 1.00 0.00 N ATOM 689 CA ASN A 44 -29.096 -21.619 -21.159 1.00 0.00 C ATOM 690 C ASN A 44 -27.727 -21.639 -20.478 1.00 0.00 C ATOM 691 O ASN A 44 -26.788 -20.994 -20.942 1.00 0.00 O ATOM 692 CB ASN A 44 -29.344 -20.245 -21.791 1.00 0.00 C ATOM 693 CG ASN A 44 -28.792 -19.140 -20.895 1.00 0.00 C ATOM 694 OD1 ASN A 44 -29.544 -18.502 -20.158 1.00 0.00 O ATOM 695 ND2 ASN A 44 -27.515 -18.869 -20.917 1.00 0.00 N ATOM 0 H ASN A 44 -30.743 -22.724 -20.473 1.00 0.00 H new ATOM 0 HA ASN A 44 -29.100 -22.384 -21.936 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -28.870 -20.198 -22.771 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -30.413 -20.096 -21.946 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -27.140 -18.129 -20.324 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -26.892 -19.398 -21.528 1.00 0.00 H new ATOM 702 N GLY A 45 -27.613 -22.389 -19.385 1.00 0.00 N ATOM 703 CA GLY A 45 -26.344 -22.481 -18.667 1.00 0.00 C ATOM 704 C GLY A 45 -26.354 -21.621 -17.409 1.00 0.00 C ATOM 705 O GLY A 45 -25.416 -21.659 -16.614 1.00 0.00 O ATOM 0 H GLY A 45 -28.373 -22.936 -18.981 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.151 -23.519 -18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.531 -22.164 -19.320 1.00 0.00 H new ATOM 709 N ASN A 46 -27.423 -20.853 -17.230 1.00 0.00 N ATOM 710 CA ASN A 46 -27.554 -19.994 -16.056 1.00 0.00 C ATOM 711 C ASN A 46 -28.123 -20.802 -14.886 1.00 0.00 C ATOM 712 O ASN A 46 -29.097 -21.536 -15.047 1.00 0.00 O ATOM 713 CB ASN A 46 -28.460 -18.805 -16.389 1.00 0.00 C ATOM 714 CG ASN A 46 -27.706 -17.797 -17.251 1.00 0.00 C ATOM 715 OD1 ASN A 46 -28.310 -16.875 -17.800 1.00 0.00 O ATOM 716 ND2 ASN A 46 -26.414 -17.915 -17.405 1.00 0.00 N ATOM 0 H ASN A 46 -28.209 -20.807 -17.879 1.00 0.00 H new ATOM 0 HA ASN A 46 -26.574 -19.613 -15.767 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -29.350 -19.152 -16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -28.799 -18.327 -15.470 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.905 -17.243 -17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -25.914 -18.679 -16.950 1.00 0.00 H new ATOM 723 N LEU A 47 -27.489 -20.692 -13.718 1.00 0.00 N ATOM 724 CA LEU A 47 -27.929 -21.457 -12.548 1.00 0.00 C ATOM 725 C LEU A 47 -29.075 -20.764 -11.827 1.00 0.00 C ATOM 726 O LEU A 47 -30.188 -21.288 -11.782 1.00 0.00 O ATOM 727 CB LEU A 47 -26.756 -21.638 -11.582 1.00 0.00 C ATOM 728 CG LEU A 47 -27.264 -22.208 -10.256 1.00 0.00 C ATOM 729 CD1 LEU A 47 -28.164 -23.415 -10.527 1.00 0.00 C ATOM 730 CD2 LEU A 47 -26.074 -22.644 -9.399 1.00 0.00 C ATOM 0 H LEU A 47 -26.681 -20.091 -13.556 1.00 0.00 H new ATOM 0 HA LEU A 47 -28.283 -22.428 -12.895 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -26.014 -22.308 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -26.261 -20.682 -11.412 1.00 0.00 H new ATOM 0 HG LEU A 47 -27.833 -21.443 -9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -28.525 -23.819 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -29.013 -23.106 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -27.596 -24.181 -11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -26.435 -23.050 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -25.505 -23.408 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.433 -21.785 -9.203 1.00 0.00 H new ATOM 742 N GLU A 48 -28.818 -19.583 -11.282 1.00 0.00 N ATOM 743 CA GLU A 48 -29.867 -18.852 -10.598 1.00 0.00 C ATOM 744 C GLU A 48 -31.133 -18.964 -11.424 1.00 0.00 C ATOM 745 O GLU A 48 -32.246 -18.790 -10.930 1.00 0.00 O ATOM 746 CB GLU A 48 -29.477 -17.385 -10.425 1.00 0.00 C ATOM 747 CG GLU A 48 -29.592 -17.009 -8.949 1.00 0.00 C ATOM 748 CD GLU A 48 -29.177 -15.556 -8.746 1.00 0.00 C ATOM 749 OE1 GLU A 48 -28.948 -14.883 -9.737 1.00 0.00 O ATOM 750 OE2 GLU A 48 -29.094 -15.139 -7.603 1.00 0.00 O ATOM 0 H GLU A 48 -27.909 -19.120 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 48 -30.025 -19.272 -9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -28.458 -17.223 -10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -30.127 -16.750 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -30.617 -17.154 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -28.960 -17.663 -8.348 1.00 0.00 H new ATOM 757 N LEU A 49 -30.925 -19.270 -12.696 1.00 0.00 N ATOM 758 CA LEU A 49 -32.013 -19.430 -13.637 1.00 0.00 C ATOM 759 C LEU A 49 -32.507 -20.864 -13.614 1.00 0.00 C ATOM 760 O LEU A 49 -33.706 -21.109 -13.555 1.00 0.00 O ATOM 761 CB LEU A 49 -31.525 -19.075 -15.034 1.00 0.00 C ATOM 762 CG LEU A 49 -31.384 -17.560 -15.137 1.00 0.00 C ATOM 763 CD1 LEU A 49 -32.774 -16.931 -15.205 1.00 0.00 C ATOM 764 CD2 LEU A 49 -30.647 -17.034 -13.899 1.00 0.00 C ATOM 0 H LEU A 49 -29.999 -19.413 -13.100 1.00 0.00 H new ATOM 0 HA LEU A 49 -32.834 -18.769 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -30.568 -19.557 -15.233 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -32.228 -19.440 -15.783 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.820 -17.302 -16.034 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -32.680 -15.848 -15.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -33.302 -17.310 -16.080 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -33.333 -17.186 -14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.544 -15.951 -13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -31.214 -17.287 -13.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.658 -17.489 -13.843 1.00 0.00 H new ATOM 776 N ALA A 50 -31.569 -21.809 -13.640 1.00 0.00 N ATOM 777 CA ALA A 50 -31.932 -23.218 -13.597 1.00 0.00 C ATOM 778 C ALA A 50 -32.795 -23.471 -12.370 1.00 0.00 C ATOM 779 O ALA A 50 -33.902 -23.999 -12.475 1.00 0.00 O ATOM 780 CB ALA A 50 -30.675 -24.090 -13.541 1.00 0.00 C ATOM 0 H ALA A 50 -30.567 -21.626 -13.690 1.00 0.00 H new ATOM 0 HA ALA A 50 -32.489 -23.475 -14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -30.962 -25.141 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -30.066 -23.907 -14.426 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -30.101 -23.844 -12.648 1.00 0.00 H new ATOM 786 N VAL A 51 -32.294 -23.060 -11.206 1.00 0.00 N ATOM 787 CA VAL A 51 -33.044 -23.218 -9.975 1.00 0.00 C ATOM 788 C VAL A 51 -34.378 -22.523 -10.113 1.00 0.00 C ATOM 789 O VAL A 51 -35.436 -23.150 -10.074 1.00 0.00 O ATOM 790 CB VAL A 51 -32.278 -22.594 -8.816 1.00 0.00 C ATOM 791 CG1 VAL A 51 -31.900 -21.151 -9.143 1.00 0.00 C ATOM 792 CG2 VAL A 51 -33.151 -22.615 -7.566 1.00 0.00 C ATOM 0 H VAL A 51 -31.380 -22.620 -11.096 1.00 0.00 H new ATOM 0 HA VAL A 51 -33.193 -24.280 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 51 -31.367 -23.168 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -31.353 -20.719 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -31.272 -21.132 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -32.804 -20.570 -9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -32.606 -22.169 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -34.063 -22.046 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -33.409 -23.645 -7.320 1.00 0.00 H new ATOM 802 N ALA A 52 -34.307 -21.217 -10.295 1.00 0.00 N ATOM 803 CA ALA A 52 -35.497 -20.419 -10.464 1.00 0.00 C ATOM 804 C ALA A 52 -36.434 -21.116 -11.441 1.00 0.00 C ATOM 805 O ALA A 52 -37.650 -21.075 -11.287 1.00 0.00 O ATOM 806 CB ALA A 52 -35.099 -19.047 -10.990 1.00 0.00 C ATOM 0 H ALA A 52 -33.434 -20.690 -10.329 1.00 0.00 H new ATOM 0 HA ALA A 52 -36.013 -20.299 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -35.991 -18.435 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -34.430 -18.564 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -34.591 -19.158 -11.948 1.00 0.00 H new ATOM 812 N PHE A 53 -35.846 -21.775 -12.434 1.00 0.00 N ATOM 813 CA PHE A 53 -36.630 -22.503 -13.426 1.00 0.00 C ATOM 814 C PHE A 53 -37.380 -23.652 -12.762 1.00 0.00 C ATOM 815 O PHE A 53 -38.459 -24.044 -13.206 1.00 0.00 O ATOM 816 CB PHE A 53 -35.716 -23.057 -14.526 1.00 0.00 C ATOM 817 CG PHE A 53 -35.978 -22.322 -15.822 1.00 0.00 C ATOM 818 CD1 PHE A 53 -37.126 -22.613 -16.569 1.00 0.00 C ATOM 819 CD2 PHE A 53 -35.074 -21.353 -16.278 1.00 0.00 C ATOM 820 CE1 PHE A 53 -37.372 -21.935 -17.769 1.00 0.00 C ATOM 821 CE2 PHE A 53 -35.320 -20.677 -17.479 1.00 0.00 C ATOM 822 CZ PHE A 53 -36.469 -20.967 -18.225 1.00 0.00 C ATOM 0 H PHE A 53 -34.837 -21.820 -12.573 1.00 0.00 H new ATOM 0 HA PHE A 53 -37.347 -21.814 -13.872 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -34.671 -22.943 -14.236 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -35.895 -24.124 -14.659 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -37.822 -23.361 -16.219 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -34.188 -21.128 -15.703 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -38.259 -22.159 -18.343 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -34.623 -19.931 -17.831 1.00 0.00 H new ATOM 0 HZ PHE A 53 -36.658 -20.445 -19.151 1.00 0.00 H new ATOM 832 N LEU A 54 -36.792 -24.193 -11.700 1.00 0.00 N ATOM 833 CA LEU A 54 -37.400 -25.303 -10.980 1.00 0.00 C ATOM 834 C LEU A 54 -38.353 -24.807 -9.893 1.00 0.00 C ATOM 835 O LEU A 54 -39.451 -25.338 -9.732 1.00 0.00 O ATOM 836 CB LEU A 54 -36.304 -26.167 -10.358 1.00 0.00 C ATOM 837 CG LEU A 54 -35.428 -26.744 -11.485 1.00 0.00 C ATOM 838 CD1 LEU A 54 -33.996 -26.963 -10.987 1.00 0.00 C ATOM 839 CD2 LEU A 54 -36.004 -28.081 -11.961 1.00 0.00 C ATOM 0 H LEU A 54 -35.898 -23.881 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 54 -37.980 -25.895 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -35.697 -25.573 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -36.746 -26.974 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 54 -35.417 -26.034 -12.312 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.388 -27.371 -11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -33.575 -26.012 -10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.005 -27.662 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -35.379 -28.483 -12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -36.027 -28.784 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -37.016 -27.928 -12.335 1.00 0.00 H new ATOM 851 N THR A 55 -37.927 -23.792 -9.146 1.00 0.00 N ATOM 852 CA THR A 55 -38.757 -23.248 -8.075 1.00 0.00 C ATOM 853 C THR A 55 -39.698 -22.170 -8.606 1.00 0.00 C ATOM 854 O THR A 55 -40.789 -21.979 -8.070 1.00 0.00 O ATOM 855 CB THR A 55 -37.873 -22.664 -6.969 1.00 0.00 C ATOM 856 OG1 THR A 55 -38.694 -22.167 -5.921 1.00 0.00 O ATOM 857 CG2 THR A 55 -37.024 -21.529 -7.537 1.00 0.00 C ATOM 0 H THR A 55 -37.023 -23.334 -9.260 1.00 0.00 H new ATOM 0 HA THR A 55 -39.358 -24.060 -7.667 1.00 0.00 H new ATOM 0 HB THR A 55 -37.218 -23.443 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 55 -38.129 -21.794 -5.212 1.00 0.00 H new ATOM 0 HG21 THR A 55 -36.396 -21.115 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 55 -36.394 -21.913 -8.339 1.00 0.00 H new ATOM 0 HG23 THR A 55 -37.676 -20.748 -7.929 1.00 0.00 H new ATOM 1533 N ASP A 101 37.960 -6.123 -4.364 1.00 0.00 N ATOM 1534 CA ASP A 101 38.260 -5.635 -3.023 1.00 0.00 C ATOM 1535 C ASP A 101 39.586 -6.200 -2.526 1.00 0.00 C ATOM 1536 O ASP A 101 40.443 -5.460 -2.043 1.00 0.00 O ATOM 1537 CB ASP A 101 37.141 -6.035 -2.060 1.00 0.00 C ATOM 1538 CG ASP A 101 37.540 -5.694 -0.629 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.451 -6.328 -0.122 1.00 0.00 O ATOM 1540 OD2 ASP A 101 36.928 -4.805 -0.060 1.00 0.00 O ATOM 0 HA ASP A 101 38.336 -4.548 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.220 -5.515 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 101 36.940 -7.103 -2.146 1.00 0.00 H new ATOM 1545 N LEU A 102 39.750 -7.515 -2.640 1.00 0.00 N ATOM 1546 CA LEU A 102 40.980 -8.156 -2.191 1.00 0.00 C ATOM 1547 C LEU A 102 42.128 -7.817 -3.116 1.00 0.00 C ATOM 1548 O LEU A 102 43.169 -7.322 -2.684 1.00 0.00 O ATOM 1549 CB LEU A 102 40.798 -9.671 -2.120 1.00 0.00 C ATOM 1550 CG LEU A 102 42.044 -10.302 -1.500 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.739 -10.729 -0.063 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.457 -11.526 -2.318 1.00 0.00 C ATOM 0 H LEU A 102 39.056 -8.150 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 102 41.213 -7.781 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 102 39.918 -9.915 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.630 -10.076 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 102 42.856 -9.575 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.628 -11.179 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.445 -9.857 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 102 40.927 -11.456 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 102 43.346 -11.976 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.645 -12.253 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 102 42.675 -11.223 -3.342 1.00 0.00 H new ATOM 1564 N GLN A 103 41.924 -8.065 -4.391 1.00 0.00 N ATOM 1565 CA GLN A 103 42.944 -7.759 -5.376 1.00 0.00 C ATOM 1566 C GLN A 103 43.513 -6.390 -5.063 1.00 0.00 C ATOM 1567 O GLN A 103 44.600 -6.024 -5.512 1.00 0.00 O ATOM 1568 CB GLN A 103 42.321 -7.736 -6.767 1.00 0.00 C ATOM 1569 CG GLN A 103 43.363 -8.139 -7.813 1.00 0.00 C ATOM 1570 CD GLN A 103 43.857 -9.555 -7.542 1.00 0.00 C ATOM 1571 OE1 GLN A 103 43.086 -10.511 -7.626 1.00 0.00 O ATOM 1572 NE2 GLN A 103 45.106 -9.749 -7.220 1.00 0.00 N ATOM 0 H GLN A 103 41.070 -8.474 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 103 43.730 -8.514 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.472 -8.418 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.939 -6.739 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.929 -8.082 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 103 44.201 -7.442 -7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 103 45.744 -8.956 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 103 45.445 -10.694 -7.038 1.00 0.00 H new ATOM 1581 N ARG A 104 42.748 -5.644 -4.279 1.00 0.00 N ATOM 1582 CA ARG A 104 43.146 -4.300 -3.883 1.00 0.00 C ATOM 1583 C ARG A 104 44.019 -4.345 -2.635 1.00 0.00 C ATOM 1584 O ARG A 104 44.984 -3.592 -2.519 1.00 0.00 O ATOM 1585 CB ARG A 104 41.903 -3.446 -3.611 1.00 0.00 C ATOM 1586 CG ARG A 104 41.843 -2.293 -4.615 1.00 0.00 C ATOM 1587 CD ARG A 104 40.574 -1.473 -4.375 1.00 0.00 C ATOM 1588 NE ARG A 104 40.815 -0.452 -3.363 1.00 0.00 N ATOM 1589 CZ ARG A 104 40.153 0.701 -3.383 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.285 0.938 -4.328 1.00 0.00 N ATOM 1591 NH2 ARG A 104 40.375 1.598 -2.460 1.00 0.00 N ATOM 0 H ARG A 104 41.849 -5.946 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 104 43.720 -3.857 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 104 41.004 -4.058 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.933 -3.055 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.724 -1.659 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.850 -2.682 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.255 -1.004 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 104 39.764 -2.129 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 104 41.502 -0.625 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.115 0.239 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 104 38.777 1.822 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.056 1.414 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 104 39.867 2.482 -2.476 1.00 0.00 H new ATOM 1605 N ALA A 105 43.677 -5.231 -1.704 1.00 0.00 N ATOM 1606 CA ALA A 105 44.446 -5.356 -0.472 1.00 0.00 C ATOM 1607 C ALA A 105 45.921 -5.590 -0.787 1.00 0.00 C ATOM 1608 O ALA A 105 46.786 -4.816 -0.373 1.00 0.00 O ATOM 1609 CB ALA A 105 43.909 -6.519 0.365 1.00 0.00 C ATOM 0 H ALA A 105 42.882 -5.866 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 105 44.348 -4.429 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.490 -6.605 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.863 -6.337 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 105 43.991 -7.445 -0.204 1.00 0.00 H new ATOM 1615 N ILE A 106 46.200 -6.654 -1.532 1.00 0.00 N ATOM 1616 CA ILE A 106 47.573 -6.970 -1.902 1.00 0.00 C ATOM 1617 C ILE A 106 48.137 -5.870 -2.768 1.00 0.00 C ATOM 1618 O ILE A 106 49.157 -5.257 -2.454 1.00 0.00 O ATOM 1619 CB ILE A 106 47.637 -8.293 -2.668 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.353 -9.089 -2.434 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.836 -9.107 -2.180 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.323 -8.723 -3.502 1.00 0.00 C ATOM 0 H ILE A 106 45.501 -7.306 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 106 48.160 -7.060 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 106 47.744 -8.087 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.564 -10.158 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.956 -8.875 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.882 -10.050 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.753 -8.543 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.729 -9.309 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.408 -9.291 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.104 -7.657 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 106 45.722 -8.960 -4.488 1.00 0.00 H new ATOM 1634 N ALA A 107 47.448 -5.633 -3.857 1.00 0.00 N ATOM 1635 CA ALA A 107 47.852 -4.600 -4.801 1.00 0.00 C ATOM 1636 C ALA A 107 48.254 -3.334 -4.053 1.00 0.00 C ATOM 1637 O ALA A 107 49.225 -2.669 -4.413 1.00 0.00 O ATOM 1638 CB ALA A 107 46.705 -4.286 -5.764 1.00 0.00 C ATOM 0 H ALA A 107 46.602 -6.138 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 107 48.706 -4.965 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 107 47.020 -3.512 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.436 -5.187 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.842 -3.935 -5.199 1.00 0.00 H new ATOM 1644 N LEU A 108 47.508 -3.012 -3.000 1.00 0.00 N ATOM 1645 CA LEU A 108 47.804 -1.828 -2.200 1.00 0.00 C ATOM 1646 C LEU A 108 49.211 -1.927 -1.628 1.00 0.00 C ATOM 1647 O LEU A 108 49.974 -0.961 -1.662 1.00 0.00 O ATOM 1648 CB LEU A 108 46.793 -1.696 -1.054 1.00 0.00 C ATOM 1649 CG LEU A 108 45.866 -0.501 -1.302 1.00 0.00 C ATOM 1650 CD1 LEU A 108 44.500 -0.776 -0.673 1.00 0.00 C ATOM 1651 CD2 LEU A 108 46.474 0.751 -0.667 1.00 0.00 C ATOM 0 H LEU A 108 46.701 -3.549 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 108 47.734 -0.948 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.205 -2.610 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.319 -1.568 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 108 45.748 -0.348 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 108 43.841 0.074 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 108 44.067 -1.670 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 108 44.617 -0.928 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 108 45.817 1.603 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 108 46.589 0.596 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 108 47.449 0.948 -1.112 1.00 0.00 H new ATOM 1663 N SER A 109 49.555 -3.103 -1.114 1.00 0.00 N ATOM 1664 CA SER A 109 50.884 -3.305 -0.555 1.00 0.00 C ATOM 1665 C SER A 109 51.914 -3.269 -1.671 1.00 0.00 C ATOM 1666 O SER A 109 52.917 -2.562 -1.582 1.00 0.00 O ATOM 1667 CB SER A 109 50.953 -4.642 0.185 1.00 0.00 C ATOM 1668 OG SER A 109 52.305 -5.075 0.247 1.00 0.00 O ATOM 0 H SER A 109 48.943 -3.918 -1.073 1.00 0.00 H new ATOM 0 HA SER A 109 51.097 -2.507 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 109 50.547 -4.535 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 109 50.344 -5.386 -0.328 1.00 0.00 H new ATOM 0 HG SER A 109 52.353 -5.931 0.722 1.00 0.00 H new ATOM 1674 N LEU A 110 51.643 -4.011 -2.735 1.00 0.00 N ATOM 1675 CA LEU A 110 52.537 -4.030 -3.880 1.00 0.00 C ATOM 1676 C LEU A 110 52.820 -2.598 -4.311 1.00 0.00 C ATOM 1677 O LEU A 110 53.768 -2.328 -5.048 1.00 0.00 O ATOM 1678 CB LEU A 110 51.888 -4.795 -5.037 1.00 0.00 C ATOM 1679 CG LEU A 110 52.887 -5.790 -5.636 1.00 0.00 C ATOM 1680 CD1 LEU A 110 52.133 -6.831 -6.469 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.879 -5.043 -6.534 1.00 0.00 C ATOM 0 H LEU A 110 50.818 -4.603 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 110 53.468 -4.526 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 110 51.004 -5.324 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.555 -4.096 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 110 53.428 -6.288 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 110 52.843 -7.539 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 110 51.427 -7.364 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 110 51.592 -6.331 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 110 54.589 -5.752 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.338 -4.544 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 110 54.416 -4.301 -5.944 1.00 0.00 H new ATOM 1693 N ALA A 111 51.971 -1.686 -3.846 1.00 0.00 N ATOM 1694 CA ALA A 111 52.113 -0.273 -4.187 1.00 0.00 C ATOM 1695 C ALA A 111 53.179 0.393 -3.326 1.00 0.00 C ATOM 1696 O ALA A 111 54.163 0.926 -3.844 1.00 0.00 O ATOM 1697 CB ALA A 111 50.781 0.444 -3.983 1.00 0.00 C ATOM 0 H ALA A 111 51.182 -1.898 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 111 52.416 -0.205 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 111 50.892 1.498 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.023 -0.007 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.475 0.354 -2.941 1.00 0.00 H new ATOM 1703 N GLU A 112 52.986 0.355 -2.012 1.00 0.00 N ATOM 1704 CA GLU A 112 53.953 0.958 -1.106 1.00 0.00 C ATOM 1705 C GLU A 112 55.352 0.529 -1.513 1.00 0.00 C ATOM 1706 O GLU A 112 56.335 1.228 -1.260 1.00 0.00 O ATOM 1707 CB GLU A 112 53.675 0.522 0.334 1.00 0.00 C ATOM 1708 CG GLU A 112 52.230 0.863 0.702 1.00 0.00 C ATOM 1709 CD GLU A 112 52.109 1.047 2.211 1.00 0.00 C ATOM 1710 OE1 GLU A 112 52.390 2.138 2.679 1.00 0.00 O ATOM 1711 OE2 GLU A 112 51.736 0.095 2.875 1.00 0.00 O ATOM 0 H GLU A 112 52.183 -0.079 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 112 53.870 2.043 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.845 -0.549 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.363 1.023 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.920 1.774 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.563 0.068 0.369 1.00 0.00 H new ATOM 1718 N SER A 113 55.428 -0.625 -2.162 1.00 0.00 N ATOM 1719 CA SER A 113 56.704 -1.147 -2.626 1.00 0.00 C ATOM 1720 C SER A 113 56.978 -0.660 -4.040 1.00 0.00 C ATOM 1721 O SER A 113 58.092 -0.250 -4.362 1.00 0.00 O ATOM 1722 CB SER A 113 56.694 -2.675 -2.595 1.00 0.00 C ATOM 1723 OG SER A 113 57.905 -3.163 -3.159 1.00 0.00 O ATOM 0 H SER A 113 54.624 -1.215 -2.378 1.00 0.00 H new ATOM 0 HA SER A 113 57.492 -0.788 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.588 -3.029 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 113 55.839 -3.056 -3.154 1.00 0.00 H new ATOM 0 HG SER A 113 57.903 -4.143 -3.140 1.00 0.00 H new ATOM 1902 N GLU A 125 78.977 9.208 -11.529 1.00 0.00 N ATOM 1903 CA GLU A 125 79.663 10.435 -11.918 1.00 0.00 C ATOM 1904 C GLU A 125 81.055 10.480 -11.299 1.00 0.00 C ATOM 1905 O GLU A 125 82.022 10.877 -11.950 1.00 0.00 O ATOM 1906 CB GLU A 125 78.859 11.656 -11.465 1.00 0.00 C ATOM 1907 CG GLU A 125 78.125 11.334 -10.162 1.00 0.00 C ATOM 1908 CD GLU A 125 78.097 12.568 -9.266 1.00 0.00 C ATOM 1909 OE1 GLU A 125 77.729 13.623 -9.755 1.00 0.00 O ATOM 1910 OE2 GLU A 125 78.444 12.439 -8.104 1.00 0.00 O ATOM 0 HA GLU A 125 79.755 10.451 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 125 79.524 12.507 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 125 78.143 11.939 -12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 125 77.108 11.007 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 125 78.622 10.511 -9.648 1.00 0.00 H new ATOM 1917 N GLU A 126 81.150 10.063 -10.041 1.00 0.00 N ATOM 1918 CA GLU A 126 82.431 10.052 -9.344 1.00 0.00 C ATOM 1919 C GLU A 126 83.443 9.213 -10.115 1.00 0.00 C ATOM 1920 O GLU A 126 84.617 9.573 -10.215 1.00 0.00 O ATOM 1921 CB GLU A 126 82.254 9.475 -7.938 1.00 0.00 C ATOM 1922 CG GLU A 126 80.997 8.605 -7.899 1.00 0.00 C ATOM 1923 CD GLU A 126 81.076 7.626 -6.735 1.00 0.00 C ATOM 1924 OE1 GLU A 126 81.557 8.020 -5.685 1.00 0.00 O ATOM 1925 OE2 GLU A 126 80.656 6.493 -6.909 1.00 0.00 O ATOM 0 H GLU A 126 80.361 9.730 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 126 82.798 11.076 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 126 83.127 8.883 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 126 82.174 10.282 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 126 80.113 9.234 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 126 80.893 8.060 -8.837 1.00 0.00 H new ATOM 1932 N GLN A 127 82.979 8.096 -10.663 1.00 0.00 N ATOM 1933 CA GLN A 127 83.848 7.212 -11.429 1.00 0.00 C ATOM 1934 C GLN A 127 84.210 7.865 -12.761 1.00 0.00 C ATOM 1935 O GLN A 127 85.326 7.710 -13.258 1.00 0.00 O ATOM 1936 CB GLN A 127 83.146 5.860 -11.653 1.00 0.00 C ATOM 1937 CG GLN A 127 83.096 5.511 -13.146 1.00 0.00 C ATOM 1938 CD GLN A 127 84.509 5.360 -13.697 1.00 0.00 C ATOM 1939 OE1 GLN A 127 84.733 5.544 -14.893 1.00 0.00 O ATOM 1940 NE2 GLN A 127 85.482 5.039 -12.890 1.00 0.00 N ATOM 0 H GLN A 127 82.011 7.782 -10.592 1.00 0.00 H new ATOM 0 HA GLN A 127 84.769 7.036 -10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 127 83.674 5.077 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 127 82.134 5.900 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 127 82.540 4.585 -13.292 1.00 0.00 H new ATOM 0 HG3 GLN A 127 82.566 6.291 -13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 127 85.294 4.887 -11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 127 86.431 4.940 -13.250 1.00 0.00 H new ATOM 1949 N ALA A 128 83.258 8.597 -13.330 1.00 0.00 N ATOM 1950 CA ALA A 128 83.483 9.273 -14.601 1.00 0.00 C ATOM 1951 C ALA A 128 84.455 10.433 -14.420 1.00 0.00 C ATOM 1952 O ALA A 128 85.600 10.372 -14.869 1.00 0.00 O ATOM 1953 CB ALA A 128 82.157 9.799 -15.156 1.00 0.00 C ATOM 0 H ALA A 128 82.329 8.736 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 128 83.911 8.557 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA A 128 82.335 10.303 -16.106 1.00 0.00 H new ATOM 0 HB2 ALA A 128 81.471 8.966 -15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 128 81.720 10.503 -14.448 1.00 0.00 H new ATOM 1959 N ILE A 129 83.991 11.487 -13.757 1.00 0.00 N ATOM 1960 CA ILE A 129 84.829 12.656 -13.518 1.00 0.00 C ATOM 1961 C ILE A 129 86.218 12.229 -13.059 1.00 0.00 C ATOM 1962 O ILE A 129 87.224 12.819 -13.457 1.00 0.00 O ATOM 1963 CB ILE A 129 84.184 13.546 -12.455 1.00 0.00 C ATOM 1964 CG1 ILE A 129 82.755 13.891 -12.884 1.00 0.00 C ATOM 1965 CG2 ILE A 129 84.995 14.833 -12.305 1.00 0.00 C ATOM 1966 CD1 ILE A 129 82.258 15.100 -12.090 1.00 0.00 C ATOM 0 H ILE A 129 83.046 11.556 -13.378 1.00 0.00 H new ATOM 0 HA ILE A 129 84.924 13.215 -14.449 1.00 0.00 H new ATOM 0 HB ILE A 129 84.163 13.019 -11.501 1.00 0.00 H new ATOM 0 HG12 ILE A 129 82.728 14.108 -13.952 1.00 0.00 H new ATOM 0 HG13 ILE A 129 82.098 13.038 -12.716 1.00 0.00 H new ATOM 0 HG21 ILE A 129 84.535 15.467 -11.547 1.00 0.00 H new ATOM 0 HG22 ILE A 129 86.013 14.588 -12.004 1.00 0.00 H new ATOM 0 HG23 ILE A 129 85.016 15.363 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 129 81.241 15.344 -12.397 1.00 0.00 H new ATOM 0 HD12 ILE A 129 82.270 14.866 -11.025 1.00 0.00 H new ATOM 0 HD13 ILE A 129 82.909 15.953 -12.281 1.00 0.00 H new ATOM 1978 N SER A 130 86.269 11.196 -12.224 1.00 0.00 N ATOM 1979 CA SER A 130 87.541 10.694 -11.721 1.00 0.00 C ATOM 1980 C SER A 130 88.467 10.336 -12.879 1.00 0.00 C ATOM 1981 O SER A 130 89.580 10.853 -12.979 1.00 0.00 O ATOM 1982 CB SER A 130 87.306 9.461 -10.848 1.00 0.00 C ATOM 1983 OG SER A 130 88.505 8.699 -10.777 1.00 0.00 O ATOM 0 H SER A 130 85.449 10.693 -11.884 1.00 0.00 H new ATOM 0 HA SER A 130 88.011 11.475 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 130 86.994 9.763 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 130 86.501 8.855 -11.264 1.00 0.00 H new ATOM 0 HG SER A 130 88.358 7.909 -10.217 1.00 0.00 H new ATOM 1989 N ARG A 131 87.996 9.454 -13.755 1.00 0.00 N ATOM 1990 CA ARG A 131 88.789 9.042 -14.908 1.00 0.00 C ATOM 1991 C ARG A 131 89.274 10.267 -15.673 1.00 0.00 C ATOM 1992 O ARG A 131 90.465 10.408 -15.952 1.00 0.00 O ATOM 1993 CB ARG A 131 87.947 8.156 -15.830 1.00 0.00 C ATOM 1994 CG ARG A 131 88.560 8.137 -17.233 1.00 0.00 C ATOM 1995 CD ARG A 131 87.804 7.130 -18.102 1.00 0.00 C ATOM 1996 NE ARG A 131 87.982 7.446 -19.515 1.00 0.00 N ATOM 1997 CZ ARG A 131 87.068 8.139 -20.190 1.00 0.00 C ATOM 1998 NH1 ARG A 131 85.991 8.565 -19.587 1.00 0.00 N ATOM 1999 NH2 ARG A 131 87.250 8.395 -21.456 1.00 0.00 N ATOM 0 H ARG A 131 87.078 9.014 -13.690 1.00 0.00 H new ATOM 0 HA ARG A 131 89.653 8.476 -14.558 1.00 0.00 H new ATOM 0 HB2 ARG A 131 87.898 7.143 -15.431 1.00 0.00 H new ATOM 0 HB3 ARG A 131 86.924 8.531 -15.875 1.00 0.00 H new ATOM 0 HG2 ARG A 131 88.508 9.130 -17.679 1.00 0.00 H new ATOM 0 HG3 ARG A 131 89.615 7.867 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 131 88.165 6.122 -17.900 1.00 0.00 H new ATOM 0 HD3 ARG A 131 86.744 7.146 -17.850 1.00 0.00 H new ATOM 0 HE ARG A 131 88.824 7.129 -19.995 1.00 0.00 H new ATOM 0 HH11 ARG A 131 85.849 8.367 -18.597 1.00 0.00 H new ATOM 0 HH12 ARG A 131 85.292 9.096 -20.106 1.00 0.00 H new ATOM 0 HH21 ARG A 131 88.092 8.064 -21.927 1.00 0.00 H new ATOM 0 HH22 ARG A 131 86.550 8.926 -21.975 1.00 0.00 H new ATOM 2013 N VAL A 132 88.342 11.154 -16.004 1.00 0.00 N ATOM 2014 CA VAL A 132 88.682 12.371 -16.731 1.00 0.00 C ATOM 2015 C VAL A 132 89.888 13.046 -16.090 1.00 0.00 C ATOM 2016 O VAL A 132 90.983 13.043 -16.652 1.00 0.00 O ATOM 2017 CB VAL A 132 87.493 13.332 -16.725 1.00 0.00 C ATOM 2018 CG1 VAL A 132 87.959 14.726 -17.152 1.00 0.00 C ATOM 2019 CG2 VAL A 132 86.427 12.832 -17.702 1.00 0.00 C ATOM 0 H VAL A 132 87.351 11.054 -15.782 1.00 0.00 H new ATOM 0 HA VAL A 132 88.926 12.107 -17.760 1.00 0.00 H new ATOM 0 HB VAL A 132 87.073 13.381 -15.720 1.00 0.00 H new ATOM 0 HG11 VAL A 132 87.111 15.410 -17.147 1.00 0.00 H new ATOM 0 HG12 VAL A 132 88.718 15.085 -16.457 1.00 0.00 H new ATOM 0 HG13 VAL A 132 88.380 14.677 -18.156 1.00 0.00 H new ATOM 0 HG21 VAL A 132 85.579 13.517 -17.698 1.00 0.00 H new ATOM 0 HG22 VAL A 132 86.848 12.782 -18.706 1.00 0.00 H new ATOM 0 HG23 VAL A 132 86.093 11.840 -17.399 1.00 0.00 H new ATOM 2029 N LEU A 133 89.681 13.620 -14.910 1.00 0.00 N ATOM 2030 CA LEU A 133 90.761 14.294 -14.199 1.00 0.00 C ATOM 2031 C LEU A 133 92.100 13.646 -14.533 1.00 0.00 C ATOM 2032 O LEU A 133 92.944 14.248 -15.198 1.00 0.00 O ATOM 2033 CB LEU A 133 90.521 14.222 -12.690 1.00 0.00 C ATOM 2034 CG LEU A 133 90.709 15.608 -12.073 1.00 0.00 C ATOM 2035 CD1 LEU A 133 92.126 16.108 -12.361 1.00 0.00 C ATOM 2036 CD2 LEU A 133 89.692 16.578 -12.682 1.00 0.00 C ATOM 0 H LEU A 133 88.782 13.632 -14.428 1.00 0.00 H new ATOM 0 HA LEU A 133 90.783 15.338 -14.512 1.00 0.00 H new ATOM 0 HB2 LEU A 133 89.514 13.857 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 133 91.213 13.514 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 133 90.557 15.550 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 133 92.260 17.096 -11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 133 92.850 15.417 -11.929 1.00 0.00 H new ATOM 0 HD13 LEU A 133 92.279 16.167 -13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 133 89.825 17.567 -12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 133 89.845 16.636 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 133 88.682 16.222 -12.477 1.00 0.00 H new ATOM 2048 N GLU A 134 92.287 12.417 -14.066 1.00 0.00 N ATOM 2049 CA GLU A 134 93.526 11.694 -14.319 1.00 0.00 C ATOM 2050 C GLU A 134 93.900 11.765 -15.795 1.00 0.00 C ATOM 2051 O GLU A 134 94.966 12.267 -16.152 1.00 0.00 O ATOM 2052 CB GLU A 134 93.366 10.230 -13.904 1.00 0.00 C ATOM 2053 CG GLU A 134 94.743 9.570 -13.823 1.00 0.00 C ATOM 2054 CD GLU A 134 94.618 8.177 -13.215 1.00 0.00 C ATOM 2055 OE1 GLU A 134 93.754 7.437 -13.654 1.00 0.00 O ATOM 2056 OE2 GLU A 134 95.388 7.872 -12.320 1.00 0.00 O ATOM 0 H GLU A 134 91.601 11.903 -13.513 1.00 0.00 H new ATOM 0 HA GLU A 134 94.320 12.157 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 134 92.863 10.167 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 134 92.740 9.703 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 134 95.183 9.503 -14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 134 95.413 10.181 -13.219 1.00 0.00 H new ATOM 2063 N ALA A 135 93.017 11.260 -16.651 1.00 0.00 N ATOM 2064 CA ALA A 135 93.265 11.272 -18.087 1.00 0.00 C ATOM 2065 C ALA A 135 93.505 12.696 -18.581 1.00 0.00 C ATOM 2066 O ALA A 135 93.657 12.929 -19.780 1.00 0.00 O ATOM 2067 CB ALA A 135 92.073 10.664 -18.829 1.00 0.00 C ATOM 0 H ALA A 135 92.129 10.840 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 135 94.157 10.678 -18.286 1.00 0.00 H new ATOM 0 HB1 ALA A 135 92.267 10.677 -19.902 1.00 0.00 H new ATOM 0 HB2 ALA A 135 91.925 9.636 -18.499 1.00 0.00 H new ATOM 0 HB3 ALA A 135 91.176 11.246 -18.615 1.00 0.00 H new ATOM 2073 N SER A 136 93.537 13.646 -17.651 1.00 0.00 N ATOM 2074 CA SER A 136 93.760 15.042 -18.008 1.00 0.00 C ATOM 2075 C SER A 136 95.095 15.532 -17.456 1.00 0.00 C ATOM 2076 O SER A 136 95.668 16.497 -17.963 1.00 0.00 O ATOM 2077 CB SER A 136 92.629 15.911 -17.457 1.00 0.00 C ATOM 2078 OG SER A 136 91.476 15.108 -17.248 1.00 0.00 O ATOM 0 H SER A 136 93.412 13.476 -16.653 1.00 0.00 H new ATOM 0 HA SER A 136 93.780 15.118 -19.095 1.00 0.00 H new ATOM 0 HB2 SER A 136 92.936 16.376 -16.520 1.00 0.00 H new ATOM 0 HB3 SER A 136 92.402 16.718 -18.154 1.00 0.00 H new ATOM 0 HG SER A 136 91.707 14.347 -16.675 1.00 0.00 H new