USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 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 139 MET CE :methyl 153:sc= -12.5! (180deg=-16.2!) USER MOD Set 1.2: A 146 THR OG1 : rot 177:sc= -2.25! USER MOD Single : A 118 THR OG1 : rot 27:sc=-0.00542 USER MOD Single : A 120 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.23) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl -168:sc= -2.32 (180deg=-2.6) USER MOD Single : A 126 LYS NZ :NH3+ -170:sc= -0.0123 (180deg=-0.191) USER MOD Single : A 131 THR OG1 : rot -28:sc= 0.211 USER MOD Single : A 132 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.73) USER MOD Single : A 133 TYR OH : rot 88:sc= -6.26! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.909 K(o=-0.91,f=0) USER MOD Single : A 150 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -155:sc= 0 (180deg=-0.675) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 HIS : no HE2:sc= 0.479 K(o=0.48,f=-3.1!) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 185 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.8!) USER MOD Single : A 186 MET CE :methyl -160:sc= -0.124 (180deg=-0.73) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc=-0.00966 X(o=-0.0097,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.314 8.507 -8.303 1.00 0.27 N ATOM 468 CA THR A 118 4.346 9.473 -8.079 1.00 0.26 C ATOM 469 C THR A 118 3.993 10.299 -6.867 1.00 0.25 C ATOM 470 O THR A 118 3.154 11.200 -6.925 1.00 0.32 O ATOM 471 CB THR A 118 4.533 10.374 -9.299 1.00 0.30 C ATOM 472 OG1 THR A 118 5.091 9.630 -10.389 1.00 0.32 O ATOM 473 CG2 THR A 118 5.384 11.609 -9.002 1.00 0.32 C ATOM 0 HA THR A 118 5.287 8.951 -7.908 1.00 0.26 H new ATOM 0 HB THR A 118 3.543 10.736 -9.578 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.847 8.685 -10.299 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.481 12.210 -9.906 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.906 12.202 -8.222 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.373 11.297 -8.665 1.00 0.32 H new ATOM 481 N ILE A 119 4.595 9.948 -5.755 1.00 0.19 N ATOM 482 CA ILE A 119 4.305 10.598 -4.523 1.00 0.18 C ATOM 483 C ILE A 119 5.580 11.011 -3.817 1.00 0.19 C ATOM 484 O ILE A 119 6.662 10.529 -4.107 1.00 0.20 O ATOM 485 CB ILE A 119 3.594 9.660 -3.582 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.599 8.738 -2.996 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.535 8.858 -4.243 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.114 8.199 -1.739 1.00 0.17 C ATOM 0 H ILE A 119 5.293 9.207 -5.691 1.00 0.19 H new ATOM 0 HA ILE A 119 3.689 11.464 -4.764 1.00 0.18 H new ATOM 0 HB ILE A 119 3.104 10.267 -2.821 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.807 7.925 -3.692 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.538 9.267 -2.835 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.063 8.204 -3.510 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.786 9.525 -4.669 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.977 8.255 -5.036 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.861 7.524 -1.320 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.929 9.015 -1.040 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.187 7.652 -1.911 1.00 0.17 H new ATOM 500 N SER A 120 5.400 11.763 -2.784 1.00 0.21 N ATOM 501 CA SER A 120 6.501 12.384 -2.092 1.00 0.28 C ATOM 502 C SER A 120 6.476 11.975 -0.628 1.00 0.28 C ATOM 503 O SER A 120 5.576 11.247 -0.202 1.00 0.25 O ATOM 504 CB SER A 120 6.425 13.907 -2.242 1.00 0.36 C ATOM 505 OG SER A 120 7.599 14.537 -1.759 1.00 1.29 O ATOM 0 H SER A 120 4.484 11.971 -2.386 1.00 0.21 H new ATOM 0 HA SER A 120 7.442 12.051 -2.529 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.279 14.163 -3.291 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.559 14.284 -1.698 1.00 0.36 H new ATOM 0 HG SER A 120 7.519 15.507 -1.871 1.00 1.29 H new ATOM 511 N LYS A 121 7.441 12.451 0.134 1.00 0.35 N ATOM 512 CA LYS A 121 7.565 12.075 1.543 1.00 0.40 C ATOM 513 C LYS A 121 6.290 12.400 2.318 1.00 0.36 C ATOM 514 O LYS A 121 5.815 11.601 3.119 1.00 0.38 O ATOM 515 CB LYS A 121 8.763 12.773 2.191 1.00 0.50 C ATOM 516 CG LYS A 121 10.121 12.220 1.761 1.00 1.34 C ATOM 517 CD LYS A 121 10.440 12.535 0.307 1.00 1.71 C ATOM 518 CE LYS A 121 11.773 11.939 -0.111 1.00 2.46 C ATOM 519 NZ LYS A 121 12.151 12.334 -1.492 1.00 3.26 N ATOM 0 H LYS A 121 8.156 13.101 -0.193 1.00 0.35 H new ATOM 0 HA LYS A 121 7.724 10.997 1.580 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.724 13.835 1.950 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.676 12.688 3.274 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.899 12.637 2.400 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.134 11.140 1.907 1.00 1.34 H new ATOM 0 HD2 LYS A 121 9.649 12.145 -0.333 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.462 13.615 0.164 1.00 1.71 H new ATOM 0 HE2 LYS A 121 12.548 12.262 0.584 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.720 10.852 -0.046 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 13.032 11.852 -1.762 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 11.393 12.063 -2.150 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 12.293 13.363 -1.532 1.00 3.26 H new ATOM 533 N ASN A 122 5.734 13.569 2.071 1.00 0.37 N ATOM 534 CA ASN A 122 4.511 13.984 2.731 1.00 0.37 C ATOM 535 C ASN A 122 3.308 13.424 2.019 1.00 0.30 C ATOM 536 O ASN A 122 2.221 13.353 2.589 1.00 0.29 O ATOM 537 CB ASN A 122 4.425 15.508 2.811 1.00 0.48 C ATOM 538 CG ASN A 122 5.350 16.092 3.858 1.00 1.22 C ATOM 539 OD1 ASN A 122 6.507 16.407 3.577 1.00 2.17 O ATOM 540 ND2 ASN A 122 4.846 16.248 5.074 1.00 1.64 N ATOM 0 H ASN A 122 6.112 14.252 1.414 1.00 0.37 H new ATOM 0 HA ASN A 122 4.525 13.590 3.747 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.670 15.933 1.838 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.399 15.798 3.036 1.00 0.48 H new ATOM 0 HD21 ASN A 122 5.422 16.642 5.818 1.00 1.64 H new ATOM 0 HD22 ASN A 122 3.882 15.974 5.266 1.00 1.64 H new ATOM 547 N GLU A 123 3.499 12.998 0.781 1.00 0.27 N ATOM 548 CA GLU A 123 2.410 12.488 0.022 1.00 0.25 C ATOM 549 C GLU A 123 2.010 11.135 0.501 1.00 0.21 C ATOM 550 O GLU A 123 0.910 10.711 0.299 1.00 0.26 O ATOM 551 CB GLU A 123 2.695 12.477 -1.449 1.00 0.27 C ATOM 552 CG GLU A 123 1.825 13.460 -2.172 1.00 0.30 C ATOM 553 CD GLU A 123 2.007 13.424 -3.670 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.140 13.648 -4.136 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.010 13.195 -4.388 1.00 0.50 O ATOM 0 H GLU A 123 4.398 13.002 0.298 1.00 0.27 H new ATOM 0 HA GLU A 123 1.571 13.167 0.176 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.744 12.718 -1.622 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.528 11.476 -1.848 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.781 13.256 -1.934 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.044 14.464 -1.810 1.00 0.30 H new ATOM 562 N MET A 124 2.888 10.465 1.159 1.00 0.19 N ATOM 563 CA MET A 124 2.516 9.205 1.748 1.00 0.20 C ATOM 564 C MET A 124 1.956 9.434 3.123 1.00 0.17 C ATOM 565 O MET A 124 1.118 8.680 3.598 1.00 0.16 O ATOM 566 CB MET A 124 3.678 8.219 1.772 1.00 0.27 C ATOM 567 CG MET A 124 4.901 8.681 2.558 1.00 1.21 C ATOM 568 SD MET A 124 4.692 8.552 4.345 1.00 2.28 S ATOM 569 CE MET A 124 6.312 9.051 4.907 1.00 3.06 C ATOM 0 H MET A 124 3.856 10.752 1.308 1.00 0.19 H new ATOM 0 HA MET A 124 1.744 8.752 1.126 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.327 7.278 2.195 1.00 0.27 H new ATOM 0 HB3 MET A 124 3.981 8.013 0.745 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.764 8.087 2.256 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.121 9.717 2.299 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.415 8.823 5.968 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.074 8.513 4.344 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.436 10.123 4.753 1.00 3.06 H new ATOM 579 N VAL A 125 2.398 10.519 3.721 1.00 0.20 N ATOM 580 CA VAL A 125 2.032 10.865 5.072 1.00 0.22 C ATOM 581 C VAL A 125 0.550 11.112 5.200 1.00 0.21 C ATOM 582 O VAL A 125 -0.047 10.935 6.251 1.00 0.23 O ATOM 583 CB VAL A 125 2.804 12.110 5.509 1.00 0.29 C ATOM 584 CG1 VAL A 125 1.993 12.948 6.481 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.136 11.698 6.101 1.00 0.32 C ATOM 0 H VAL A 125 3.026 11.189 3.278 1.00 0.20 H new ATOM 0 HA VAL A 125 2.287 10.024 5.717 1.00 0.22 H new ATOM 0 HB VAL A 125 2.991 12.736 4.636 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.569 13.826 6.773 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.066 13.265 6.003 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.761 12.356 7.366 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.686 12.586 6.412 1.00 0.32 H new ATOM 0 HG22 VAL A 125 3.967 11.055 6.964 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.715 11.157 5.353 1.00 0.32 H new ATOM 595 N LYS A 126 -0.012 11.583 4.141 1.00 0.20 N ATOM 596 CA LYS A 126 -1.438 11.687 4.030 1.00 0.20 C ATOM 597 C LYS A 126 -2.026 10.337 3.697 1.00 0.16 C ATOM 598 O LYS A 126 -3.034 9.957 4.249 1.00 0.19 O ATOM 599 CB LYS A 126 -1.742 12.656 2.923 1.00 0.24 C ATOM 600 CG LYS A 126 -1.178 12.143 1.620 1.00 0.32 C ATOM 601 CD LYS A 126 -0.434 13.142 0.819 1.00 0.39 C ATOM 602 CE LYS A 126 -1.272 14.334 0.477 1.00 0.59 C ATOM 603 NZ LYS A 126 -2.480 13.962 -0.310 1.00 1.51 N ATOM 0 H LYS A 126 0.500 11.910 3.321 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.868 12.031 4.971 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.820 12.793 2.834 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.315 13.632 3.155 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.514 11.305 1.834 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.998 11.754 1.016 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.446 13.467 1.374 1.00 0.39 H new ATOM 0 HD3 LYS A 126 -0.078 12.676 -0.099 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -1.578 14.837 1.394 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -0.674 15.046 -0.092 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -2.939 14.823 -0.669 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -2.201 13.359 -1.110 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -3.145 13.443 0.299 1.00 1.51 H new ATOM 617 N LEU A 127 -1.371 9.623 2.796 1.00 0.15 N ATOM 618 CA LEU A 127 -1.888 8.395 2.265 1.00 0.19 C ATOM 619 C LEU A 127 -2.102 7.343 3.272 1.00 0.20 C ATOM 620 O LEU A 127 -3.071 6.636 3.139 1.00 0.24 O ATOM 621 CB LEU A 127 -1.041 7.895 1.148 1.00 0.25 C ATOM 622 CG LEU A 127 -1.625 8.313 -0.187 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.598 8.997 -1.081 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.284 7.130 -0.856 1.00 0.40 C ATOM 0 H LEU A 127 -0.462 9.890 2.417 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.878 8.641 1.881 1.00 0.19 H new ATOM 0 HB2 LEU A 127 -0.029 8.286 1.248 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.969 6.808 1.196 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.393 9.065 -0.003 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -1.066 9.277 -2.025 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.221 9.891 -0.584 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.229 8.313 -1.275 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.701 7.440 -1.814 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.545 6.345 -1.018 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -3.083 6.750 -0.219 1.00 0.40 H new ATOM 636 N LEU A 128 -1.272 7.207 4.280 1.00 0.18 N ATOM 637 CA LEU A 128 -1.622 6.225 5.261 1.00 0.24 C ATOM 638 C LEU A 128 -2.917 6.639 5.958 1.00 0.26 C ATOM 639 O LEU A 128 -3.821 5.829 6.149 1.00 0.32 O ATOM 640 CB LEU A 128 -0.510 5.871 6.280 1.00 0.28 C ATOM 641 CG LEU A 128 0.426 6.957 6.790 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.615 7.082 5.904 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.261 8.256 6.862 1.00 0.21 C ATOM 0 H LEU A 128 -0.408 7.727 4.434 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.769 5.294 4.713 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.996 5.427 7.149 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.108 5.095 5.829 1.00 0.28 H new ATOM 0 HG LEU A 128 0.747 6.669 7.791 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.272 7.864 6.285 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.153 6.134 5.881 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.292 7.340 4.895 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.431 9.014 7.229 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.613 8.537 5.869 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.111 8.181 7.541 1.00 0.21 H new ATOM 655 N GLU A 129 -3.033 7.927 6.241 1.00 0.23 N ATOM 656 CA GLU A 129 -4.215 8.482 6.861 1.00 0.28 C ATOM 657 C GLU A 129 -5.370 8.313 5.901 1.00 0.25 C ATOM 658 O GLU A 129 -6.536 8.177 6.275 1.00 0.31 O ATOM 659 CB GLU A 129 -4.013 9.975 7.085 1.00 0.32 C ATOM 660 CG GLU A 129 -2.656 10.322 7.647 1.00 0.44 C ATOM 661 CD GLU A 129 -2.522 11.799 7.958 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.626 12.620 7.021 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.281 12.149 9.131 1.00 2.23 O ATOM 0 H GLU A 129 -2.306 8.615 6.045 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.408 7.981 7.810 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.150 10.498 6.138 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.783 10.340 7.765 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.483 9.745 8.555 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.885 10.032 6.933 1.00 0.44 H new ATOM 670 N ALA A 130 -4.985 8.314 4.644 1.00 0.21 N ATOM 671 CA ALA A 130 -5.885 8.380 3.543 1.00 0.25 C ATOM 672 C ALA A 130 -6.243 6.986 3.052 1.00 0.28 C ATOM 673 O ALA A 130 -7.117 6.820 2.208 1.00 0.33 O ATOM 674 CB ALA A 130 -5.224 9.185 2.429 1.00 0.26 C ATOM 0 H ALA A 130 -4.005 8.267 4.365 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.810 8.865 3.855 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.899 9.247 1.575 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -5.001 10.189 2.789 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.299 8.695 2.125 1.00 0.26 H new ATOM 680 N THR A 131 -5.561 5.988 3.597 1.00 0.26 N ATOM 681 CA THR A 131 -5.699 4.627 3.131 1.00 0.29 C ATOM 682 C THR A 131 -6.141 3.732 4.276 1.00 0.29 C ATOM 683 O THR A 131 -6.352 2.528 4.114 1.00 0.33 O ATOM 684 CB THR A 131 -4.382 4.116 2.517 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.598 2.885 1.817 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.344 3.920 3.597 1.00 0.28 C ATOM 0 H THR A 131 -4.903 6.103 4.368 1.00 0.26 H new ATOM 0 HA THR A 131 -6.459 4.603 2.350 1.00 0.29 H new ATOM 0 HB THR A 131 -4.021 4.861 1.808 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.351 2.406 2.222 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.418 3.559 3.150 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.158 4.869 4.100 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.706 3.191 4.322 1.00 0.28 H new ATOM 694 N GLN A 132 -6.265 4.367 5.435 1.00 0.25 N ATOM 695 CA GLN A 132 -6.595 3.712 6.691 1.00 0.25 C ATOM 696 C GLN A 132 -5.444 2.862 7.202 1.00 0.21 C ATOM 697 O GLN A 132 -5.576 1.660 7.430 1.00 0.23 O ATOM 698 CB GLN A 132 -7.874 2.886 6.605 1.00 0.32 C ATOM 699 CG GLN A 132 -9.131 3.726 6.483 1.00 0.41 C ATOM 700 CD GLN A 132 -9.251 4.739 7.604 1.00 1.38 C ATOM 701 OE1 GLN A 132 -8.792 5.874 7.482 1.00 2.19 O ATOM 702 NE2 GLN A 132 -9.849 4.333 8.708 1.00 2.15 N ATOM 0 H GLN A 132 -6.136 5.374 5.528 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.774 4.512 7.409 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.808 2.218 5.746 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -7.951 2.258 7.492 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.128 4.245 5.525 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -10.004 3.074 6.489 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.216 3.383 8.769 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -9.944 4.969 9.500 1.00 2.15 H new ATOM 711 N TYR A 133 -4.320 3.515 7.379 1.00 0.17 N ATOM 712 CA TYR A 133 -3.132 2.909 7.884 1.00 0.15 C ATOM 713 C TYR A 133 -2.379 3.979 8.619 1.00 0.15 C ATOM 714 O TYR A 133 -2.441 5.143 8.274 1.00 0.18 O ATOM 715 CB TYR A 133 -2.287 2.256 6.780 1.00 0.16 C ATOM 716 CG TYR A 133 -0.795 2.574 6.811 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.085 2.408 7.987 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.090 3.056 5.698 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.249 2.702 8.058 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.233 3.328 5.768 1.00 0.25 C ATOM 721 CZ TYR A 133 1.909 3.144 6.791 1.00 0.19 C ATOM 722 OH TYR A 133 3.224 3.455 7.012 1.00 0.27 O ATOM 0 H TYR A 133 -4.214 4.507 7.167 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.384 2.088 8.555 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.410 1.175 6.845 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.685 2.564 5.813 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.594 2.039 8.865 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.614 3.213 4.767 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.799 2.619 8.984 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.724 3.724 4.891 1.00 0.25 H new ATOM 0 HH TYR A 133 3.772 2.648 6.916 1.00 0.27 H new ATOM 732 N ARG A 134 -1.729 3.599 9.671 1.00 0.15 N ATOM 733 CA ARG A 134 -1.019 4.531 10.484 1.00 0.18 C ATOM 734 C ARG A 134 0.180 3.801 11.032 1.00 0.19 C ATOM 735 O ARG A 134 0.192 2.573 10.969 1.00 0.18 O ATOM 736 CB ARG A 134 -1.928 5.000 11.601 1.00 0.18 C ATOM 737 CG ARG A 134 -3.381 5.124 11.174 1.00 0.22 C ATOM 738 CD ARG A 134 -4.068 3.775 11.181 1.00 0.25 C ATOM 739 NE ARG A 134 -4.596 3.418 12.496 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.551 2.191 13.010 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.041 1.191 12.303 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.029 1.962 14.225 1.00 0.49 N ATOM 0 H ARG A 134 -1.676 2.632 9.991 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.699 5.408 9.922 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.859 4.302 12.435 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.578 5.966 11.964 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.904 5.805 11.845 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.434 5.557 10.175 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.883 3.783 10.457 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.362 3.010 10.858 1.00 0.25 H new ATOM 0 HE ARG A 134 -5.026 4.155 13.055 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -3.682 1.362 11.364 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.008 0.252 12.699 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.432 2.726 14.767 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -4.994 1.021 14.618 1.00 0.49 H new ATOM 756 N GLN A 135 1.170 4.517 11.544 1.00 0.22 N ATOM 757 CA GLN A 135 2.395 3.884 12.019 1.00 0.25 C ATOM 758 C GLN A 135 2.134 2.691 12.887 1.00 0.24 C ATOM 759 O GLN A 135 1.072 2.538 13.505 1.00 0.30 O ATOM 760 CB GLN A 135 3.251 4.845 12.820 1.00 0.35 C ATOM 761 CG GLN A 135 2.925 4.826 14.293 1.00 0.88 C ATOM 762 CD GLN A 135 3.300 6.107 15.003 1.00 1.36 C ATOM 763 OE1 GLN A 135 4.409 6.249 15.511 1.00 1.87 O ATOM 764 NE2 GLN A 135 2.372 7.051 15.043 1.00 1.96 N ATOM 0 H GLN A 135 1.151 5.532 11.642 1.00 0.22 H new ATOM 0 HA GLN A 135 2.915 3.570 11.114 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.302 4.591 12.681 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.114 5.855 12.435 1.00 0.35 H new ATOM 0 HG2 GLN A 135 1.857 4.647 14.420 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.446 3.992 14.763 1.00 0.88 H new ATOM 0 HE21 GLN A 135 1.463 6.892 14.608 1.00 1.96 H new ATOM 0 HE22 GLN A 135 2.566 7.937 15.509 1.00 1.96 H new ATOM 773 N VAL A 136 3.151 1.879 12.975 1.00 0.23 N ATOM 774 CA VAL A 136 3.021 0.629 13.630 1.00 0.24 C ATOM 775 C VAL A 136 4.334 0.194 14.267 1.00 0.27 C ATOM 776 O VAL A 136 5.416 0.523 13.785 1.00 0.27 O ATOM 777 CB VAL A 136 2.506 -0.442 12.634 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.868 -1.849 13.051 1.00 0.23 C ATOM 779 CG2 VAL A 136 1.013 -0.331 12.455 1.00 0.20 C ATOM 0 H VAL A 136 4.078 2.071 12.596 1.00 0.23 H new ATOM 0 HA VAL A 136 2.293 0.739 14.434 1.00 0.24 H new ATOM 0 HB VAL A 136 3.003 -0.244 11.684 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.482 -2.557 12.317 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.952 -1.943 13.111 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.431 -2.063 14.026 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.673 -1.092 11.752 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.519 -0.478 13.416 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.765 0.657 12.068 1.00 0.20 H new ATOM 789 N SER A 137 4.215 -0.524 15.364 1.00 0.31 N ATOM 790 CA SER A 137 5.346 -1.139 16.027 1.00 0.35 C ATOM 791 C SER A 137 6.054 -2.121 15.122 1.00 0.33 C ATOM 792 O SER A 137 7.272 -2.090 14.955 1.00 0.35 O ATOM 793 CB SER A 137 4.808 -1.903 17.208 1.00 0.39 C ATOM 794 OG SER A 137 4.534 -1.053 18.309 1.00 0.73 O ATOM 0 H SER A 137 3.322 -0.699 15.825 1.00 0.31 H new ATOM 0 HA SER A 137 6.055 -0.363 16.315 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.897 -2.425 16.917 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.529 -2.663 17.507 1.00 0.39 H new ATOM 0 HG SER A 137 4.185 -1.585 19.054 1.00 0.73 H new ATOM 800 N LYS A 138 5.258 -2.979 14.541 1.00 0.30 N ATOM 801 CA LYS A 138 5.737 -4.033 13.694 1.00 0.30 C ATOM 802 C LYS A 138 4.627 -4.467 12.786 1.00 0.27 C ATOM 803 O LYS A 138 3.585 -4.955 13.226 1.00 0.28 O ATOM 804 CB LYS A 138 6.202 -5.183 14.530 1.00 0.35 C ATOM 805 CG LYS A 138 5.168 -5.602 15.529 1.00 0.37 C ATOM 806 CD LYS A 138 5.597 -6.837 16.294 1.00 0.43 C ATOM 807 CE LYS A 138 5.939 -7.970 15.343 1.00 0.44 C ATOM 808 NZ LYS A 138 6.409 -9.183 16.060 1.00 0.51 N ATOM 0 H LYS A 138 4.244 -2.963 14.646 1.00 0.30 H new ATOM 0 HA LYS A 138 6.577 -3.677 13.097 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.445 -6.026 13.884 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.119 -4.906 15.051 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.986 -4.786 16.228 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.226 -5.800 15.017 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.462 -6.603 16.914 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.798 -7.149 16.966 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.061 -8.220 14.748 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.711 -7.639 14.649 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.631 -9.930 15.371 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.262 -8.953 16.608 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.663 -9.516 16.704 1.00 0.51 H new ATOM 822 N MET A 139 4.829 -4.250 11.530 1.00 0.25 N ATOM 823 CA MET A 139 3.770 -4.396 10.588 1.00 0.25 C ATOM 824 C MET A 139 3.480 -5.855 10.300 1.00 0.26 C ATOM 825 O MET A 139 4.253 -6.582 9.673 1.00 0.30 O ATOM 826 CB MET A 139 4.097 -3.607 9.329 1.00 0.33 C ATOM 827 CG MET A 139 4.939 -4.352 8.314 1.00 0.70 C ATOM 828 SD MET A 139 4.117 -4.617 6.740 1.00 2.16 S ATOM 829 CE MET A 139 3.236 -3.090 6.565 1.00 2.71 C ATOM 0 H MET A 139 5.724 -3.969 11.129 1.00 0.25 H new ATOM 0 HA MET A 139 2.854 -3.987 11.014 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.164 -3.304 8.854 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.620 -2.694 9.615 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.860 -3.795 8.142 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.223 -5.318 8.731 1.00 0.70 H new ATOM 0 HE1 MET A 139 3.081 -2.879 5.507 1.00 2.71 H new ATOM 0 HE2 MET A 139 2.271 -3.168 7.065 1.00 2.71 H new ATOM 0 HE3 MET A 139 3.814 -2.283 7.015 1.00 2.71 H new ATOM 839 N THR A 140 2.402 -6.303 10.872 1.00 0.25 N ATOM 840 CA THR A 140 1.750 -7.471 10.376 1.00 0.26 C ATOM 841 C THR A 140 0.305 -7.452 10.815 1.00 0.27 C ATOM 842 O THR A 140 -0.062 -7.929 11.893 1.00 0.30 O ATOM 843 CB THR A 140 2.471 -8.714 10.915 1.00 0.31 C ATOM 844 OG1 THR A 140 1.751 -9.914 10.601 1.00 0.35 O ATOM 845 CG2 THR A 140 2.701 -8.587 12.420 1.00 0.34 C ATOM 0 H THR A 140 1.957 -5.874 11.684 1.00 0.25 H new ATOM 0 HA THR A 140 1.783 -7.495 9.287 1.00 0.26 H new ATOM 0 HB THR A 140 3.442 -8.781 10.424 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.235 -10.688 10.956 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.213 -9.477 12.786 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.312 -7.707 12.622 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.742 -8.486 12.927 1.00 0.34 H new ATOM 853 N ARG A 141 -0.516 -6.929 9.927 1.00 0.25 N ATOM 854 CA ARG A 141 -1.953 -6.961 10.035 1.00 0.28 C ATOM 855 C ARG A 141 -2.521 -6.922 8.645 1.00 0.30 C ATOM 856 O ARG A 141 -1.799 -6.607 7.710 1.00 0.45 O ATOM 857 CB ARG A 141 -2.429 -5.755 10.835 1.00 0.30 C ATOM 858 CG ARG A 141 -1.721 -5.676 12.150 1.00 0.38 C ATOM 859 CD ARG A 141 -0.816 -4.476 12.242 1.00 1.01 C ATOM 860 NE ARG A 141 -1.463 -3.358 12.929 1.00 1.20 N ATOM 861 CZ ARG A 141 -1.101 -2.885 14.121 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.104 -3.441 14.800 1.00 2.38 N ATOM 863 NH2 ARG A 141 -1.760 -1.863 14.644 1.00 1.97 N ATOM 0 H ARG A 141 -0.187 -6.456 9.085 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.283 -7.865 10.547 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.251 -4.842 10.266 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.504 -5.824 11.000 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -2.456 -5.636 12.954 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.135 -6.583 12.299 1.00 0.38 H new ATOM 0 HD2 ARG A 141 0.097 -4.749 12.772 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.522 -4.165 11.240 1.00 1.01 H new ATOM 0 HE ARG A 141 -2.249 -2.907 12.461 1.00 1.20 H new ATOM 0 HH11 ARG A 141 0.395 -4.240 14.410 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.162 -3.069 15.711 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -2.538 -1.444 14.135 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -1.490 -1.495 15.556 1.00 1.97 H new ATOM 877 N PRO A 142 -3.794 -7.212 8.447 1.00 0.36 N ATOM 878 CA PRO A 142 -4.407 -6.869 7.199 1.00 0.39 C ATOM 879 C PRO A 142 -4.801 -5.400 7.206 1.00 0.32 C ATOM 880 O PRO A 142 -5.694 -4.986 7.947 1.00 0.37 O ATOM 881 CB PRO A 142 -5.647 -7.761 7.126 1.00 0.53 C ATOM 882 CG PRO A 142 -5.684 -8.547 8.408 1.00 0.79 C ATOM 883 CD PRO A 142 -4.712 -7.896 9.356 1.00 0.55 C ATOM 0 HA PRO A 142 -3.745 -7.016 6.345 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.550 -7.161 7.012 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.596 -8.427 6.264 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.689 -8.550 8.829 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -5.410 -9.587 8.230 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -5.209 -7.199 10.031 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.197 -8.629 9.977 1.00 0.55 H new ATOM 891 N GLY A 143 -4.117 -4.617 6.396 1.00 0.27 N ATOM 892 CA GLY A 143 -4.513 -3.232 6.195 1.00 0.27 C ATOM 893 C GLY A 143 -3.929 -2.257 7.212 1.00 0.26 C ATOM 894 O GLY A 143 -4.362 -1.107 7.282 1.00 0.38 O ATOM 0 H GLY A 143 -3.293 -4.909 5.870 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.209 -2.921 5.195 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.601 -3.169 6.232 1.00 0.27 H new ATOM 898 N GLU A 144 -2.950 -2.692 8.002 1.00 0.17 N ATOM 899 CA GLU A 144 -2.268 -1.788 8.924 1.00 0.14 C ATOM 900 C GLU A 144 -0.784 -1.921 8.716 1.00 0.11 C ATOM 901 O GLU A 144 -0.259 -3.035 8.693 1.00 0.12 O ATOM 902 CB GLU A 144 -2.621 -2.110 10.368 1.00 0.18 C ATOM 903 CG GLU A 144 -4.106 -1.989 10.677 1.00 0.40 C ATOM 904 CD GLU A 144 -4.400 -2.162 12.149 1.00 0.84 C ATOM 905 OE1 GLU A 144 -3.903 -1.359 12.961 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.153 -3.095 12.497 1.00 1.44 O ATOM 0 H GLU A 144 -2.614 -3.655 8.023 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.588 -0.765 8.724 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.293 -3.124 10.595 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.066 -1.441 11.026 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.465 -1.013 10.349 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.656 -2.739 10.108 1.00 0.40 H new ATOM 913 N PHE A 145 -0.091 -0.804 8.588 1.00 0.10 N ATOM 914 CA PHE A 145 1.265 -0.858 8.074 1.00 0.10 C ATOM 915 C PHE A 145 2.206 -0.080 8.962 1.00 0.09 C ATOM 916 O PHE A 145 1.777 0.595 9.882 1.00 0.10 O ATOM 917 CB PHE A 145 1.343 -0.316 6.632 1.00 0.16 C ATOM 918 CG PHE A 145 0.211 -0.727 5.701 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.325 -2.001 5.762 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.314 0.152 4.775 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.348 -2.389 4.920 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.340 -0.227 3.929 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.866 -1.458 3.994 1.00 0.27 C ATOM 0 H PHE A 145 -0.432 0.127 8.825 1.00 0.10 H new ATOM 0 HA PHE A 145 1.567 -1.905 8.065 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.373 0.773 6.676 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.285 -0.644 6.193 1.00 0.16 H new ATOM 0 HD1 PHE A 145 0.064 -2.705 6.482 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.084 1.154 4.710 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.747 -3.392 4.969 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.723 0.478 3.206 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.681 -1.736 3.342 1.00 0.27 H new ATOM 933 N THR A 146 3.486 -0.149 8.666 1.00 0.09 N ATOM 934 CA THR A 146 4.464 0.539 9.448 1.00 0.12 C ATOM 935 C THR A 146 5.049 1.653 8.626 1.00 0.12 C ATOM 936 O THR A 146 5.351 1.476 7.443 1.00 0.15 O ATOM 937 CB THR A 146 5.597 -0.379 9.898 1.00 0.15 C ATOM 938 OG1 THR A 146 5.991 -1.241 8.829 1.00 0.16 O ATOM 939 CG2 THR A 146 5.205 -1.194 11.098 1.00 0.19 C ATOM 0 H THR A 146 3.865 -0.681 7.883 1.00 0.09 H new ATOM 0 HA THR A 146 3.965 0.920 10.339 1.00 0.12 H new ATOM 0 HB THR A 146 6.440 0.251 10.181 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.755 -1.786 9.113 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.037 -1.835 11.390 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.953 -0.528 11.924 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.340 -1.810 10.852 1.00 0.19 H new ATOM 947 N VAL A 147 5.224 2.785 9.243 1.00 0.14 N ATOM 948 CA VAL A 147 5.549 3.972 8.489 1.00 0.15 C ATOM 949 C VAL A 147 6.978 4.472 8.729 1.00 0.23 C ATOM 950 O VAL A 147 7.533 4.337 9.824 1.00 0.29 O ATOM 951 CB VAL A 147 4.509 5.065 8.774 1.00 0.28 C ATOM 952 CG1 VAL A 147 4.755 5.748 10.096 1.00 0.86 C ATOM 953 CG2 VAL A 147 4.455 6.038 7.623 1.00 0.73 C ATOM 0 H VAL A 147 5.150 2.917 10.252 1.00 0.14 H new ATOM 0 HA VAL A 147 5.513 3.708 7.432 1.00 0.15 H new ATOM 0 HB VAL A 147 3.530 4.595 8.862 1.00 0.28 H new ATOM 0 HG11 VAL A 147 3.996 6.514 10.257 1.00 0.86 H new ATOM 0 HG12 VAL A 147 4.705 5.013 10.900 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.742 6.211 10.088 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.715 6.810 7.834 1.00 0.73 H new ATOM 0 HG22 VAL A 147 5.433 6.500 7.491 1.00 0.73 H new ATOM 0 HG23 VAL A 147 4.178 5.508 6.712 1.00 0.73 H new ATOM 963 N GLN A 148 7.569 5.035 7.677 1.00 0.37 N ATOM 964 CA GLN A 148 8.936 5.540 7.709 1.00 0.51 C ATOM 965 C GLN A 148 9.079 6.635 6.640 1.00 0.58 C ATOM 966 O GLN A 148 8.141 6.862 5.884 1.00 1.16 O ATOM 967 CB GLN A 148 9.914 4.384 7.472 1.00 0.57 C ATOM 968 CG GLN A 148 11.358 4.686 7.834 1.00 1.20 C ATOM 969 CD GLN A 148 12.258 3.475 7.673 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.242 3.321 8.392 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.930 2.611 6.725 1.00 2.15 N ATOM 0 H GLN A 148 7.109 5.153 6.775 1.00 0.37 H new ATOM 0 HA GLN A 148 9.167 5.973 8.682 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.582 3.522 8.050 1.00 0.57 H new ATOM 0 HB3 GLN A 148 9.870 4.099 6.421 1.00 0.57 H new ATOM 0 HG2 GLN A 148 11.726 5.496 7.204 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.406 5.037 8.865 1.00 1.20 H new ATOM 0 HE21 GLN A 148 11.104 2.775 6.149 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.503 1.781 6.571 1.00 2.15 H new ATOM 980 N ALA A 149 10.236 7.300 6.577 1.00 0.40 N ATOM 981 CA ALA A 149 10.412 8.501 5.745 1.00 0.39 C ATOM 982 C ALA A 149 10.278 8.240 4.238 1.00 0.31 C ATOM 983 O ALA A 149 9.227 8.484 3.651 1.00 0.37 O ATOM 984 CB ALA A 149 11.753 9.152 6.041 1.00 0.49 C ATOM 0 H ALA A 149 11.072 7.027 7.095 1.00 0.40 H new ATOM 0 HA ALA A 149 9.597 9.174 6.012 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.872 10.039 5.419 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.795 9.437 7.092 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.555 8.447 5.824 1.00 0.49 H new ATOM 990 N ASN A 150 11.347 7.758 3.609 1.00 0.26 N ATOM 991 CA ASN A 150 11.369 7.592 2.150 1.00 0.24 C ATOM 992 C ASN A 150 10.758 6.288 1.745 1.00 0.19 C ATOM 993 O ASN A 150 10.665 5.984 0.563 1.00 0.20 O ATOM 994 CB ASN A 150 12.777 7.581 1.597 1.00 0.28 C ATOM 995 CG ASN A 150 13.558 8.852 1.875 1.00 0.39 C ATOM 996 OD1 ASN A 150 12.990 9.937 1.987 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.873 8.728 1.975 1.00 1.00 N ATOM 0 H ASN A 150 12.207 7.476 4.079 1.00 0.26 H new ATOM 0 HA ASN A 150 10.808 8.439 1.755 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.317 6.735 2.022 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.732 7.422 0.520 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.451 9.550 2.151 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.308 7.811 1.876 1.00 1.00 H new ATOM 1004 N SER A 151 10.403 5.488 2.705 1.00 0.17 N ATOM 1005 CA SER A 151 9.765 4.246 2.392 1.00 0.20 C ATOM 1006 C SER A 151 8.813 3.831 3.504 1.00 0.20 C ATOM 1007 O SER A 151 9.151 3.907 4.680 1.00 0.27 O ATOM 1008 CB SER A 151 10.819 3.160 2.160 1.00 0.27 C ATOM 1009 OG SER A 151 11.739 3.095 3.238 1.00 0.94 O ATOM 0 H SER A 151 10.542 5.670 3.699 1.00 0.17 H new ATOM 0 HA SER A 151 9.183 4.376 1.479 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.328 2.194 2.039 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.355 3.363 1.233 1.00 0.27 H new ATOM 0 HG SER A 151 12.399 2.392 3.063 1.00 0.94 H new ATOM 1015 N ILE A 152 7.627 3.403 3.126 1.00 0.18 N ATOM 1016 CA ILE A 152 6.676 2.854 4.059 1.00 0.17 C ATOM 1017 C ILE A 152 6.739 1.342 3.941 1.00 0.17 C ATOM 1018 O ILE A 152 7.425 0.814 3.073 1.00 0.19 O ATOM 1019 CB ILE A 152 5.260 3.391 3.745 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.097 4.781 4.353 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.147 2.469 4.225 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.713 5.339 4.176 1.00 0.20 C ATOM 0 H ILE A 152 7.298 3.428 2.161 1.00 0.18 H new ATOM 0 HA ILE A 152 6.912 3.149 5.081 1.00 0.17 H new ATOM 0 HB ILE A 152 5.168 3.440 2.660 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.332 4.737 5.416 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.818 5.459 3.895 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.180 2.904 3.973 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.245 1.498 3.740 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.219 2.344 5.305 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.659 6.329 4.629 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.484 5.413 3.113 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.991 4.680 4.658 1.00 0.20 H new ATOM 1034 N GLU A 153 6.074 0.642 4.810 1.00 0.16 N ATOM 1035 CA GLU A 153 5.880 -0.754 4.603 1.00 0.14 C ATOM 1036 C GLU A 153 4.394 -0.977 4.467 1.00 0.23 C ATOM 1037 O GLU A 153 3.638 -0.367 5.196 1.00 0.56 O ATOM 1038 CB GLU A 153 6.426 -1.552 5.767 1.00 0.18 C ATOM 1039 CG GLU A 153 6.639 -3.001 5.410 1.00 0.27 C ATOM 1040 CD GLU A 153 7.764 -3.654 6.196 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.797 -3.519 7.438 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.626 -4.310 5.572 1.00 0.72 O ATOM 0 H GLU A 153 5.660 1.016 5.664 1.00 0.16 H new ATOM 0 HA GLU A 153 6.409 -1.085 3.709 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.371 -1.117 6.093 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.736 -1.484 6.608 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.715 -3.551 5.586 1.00 0.27 H new ATOM 0 HG3 GLU A 153 6.857 -3.077 4.345 1.00 0.27 H new ATOM 1049 N MET A 154 3.963 -1.801 3.536 1.00 0.13 N ATOM 1050 CA MET A 154 2.532 -2.042 3.362 1.00 0.13 C ATOM 1051 C MET A 154 2.209 -3.525 3.188 1.00 0.15 C ATOM 1052 O MET A 154 2.738 -4.190 2.300 1.00 0.18 O ATOM 1053 CB MET A 154 2.031 -1.226 2.157 1.00 0.19 C ATOM 1054 CG MET A 154 0.635 -1.586 1.664 1.00 0.94 C ATOM 1055 SD MET A 154 0.641 -2.726 0.264 1.00 0.73 S ATOM 1056 CE MET A 154 -1.117 -2.856 -0.059 1.00 1.32 C ATOM 0 H MET A 154 4.567 -2.313 2.892 1.00 0.13 H new ATOM 0 HA MET A 154 2.017 -1.721 4.268 1.00 0.13 H new ATOM 0 HB2 MET A 154 2.043 -0.169 2.424 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.734 -1.355 1.334 1.00 0.19 H new ATOM 0 HG2 MET A 154 0.072 -2.032 2.484 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.112 -0.673 1.378 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.327 -3.804 -0.554 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.664 -2.809 0.882 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.431 -2.034 -0.702 1.00 1.32 H new ATOM 1066 N ILE A 155 1.335 -4.039 4.059 1.00 0.16 N ATOM 1067 CA ILE A 155 0.853 -5.400 3.946 1.00 0.19 C ATOM 1068 C ILE A 155 -0.009 -5.564 2.710 1.00 0.27 C ATOM 1069 O ILE A 155 -0.854 -4.723 2.412 1.00 0.33 O ATOM 1070 CB ILE A 155 0.003 -5.843 5.153 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.422 -5.090 6.426 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.125 -7.360 5.330 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.187 -5.905 7.431 1.00 0.24 C ATOM 0 H ILE A 155 0.951 -3.522 4.850 1.00 0.16 H new ATOM 0 HA ILE A 155 1.749 -6.019 3.894 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.042 -5.597 4.967 1.00 0.23 H new ATOM 0 HG12 ILE A 155 1.031 -4.233 6.138 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.473 -4.697 6.907 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.475 -7.676 6.183 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.231 -7.861 4.430 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.168 -7.623 5.503 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.435 -5.283 8.291 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.577 -6.747 7.757 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.105 -6.277 6.975 1.00 0.24 H new ATOM 1297 N VAL A 169 0.504 -11.182 3.845 1.00 0.38 N ATOM 1298 CA VAL A 169 1.842 -10.945 3.361 1.00 0.32 C ATOM 1299 C VAL A 169 2.084 -9.476 3.376 1.00 0.26 C ATOM 1300 O VAL A 169 1.182 -8.718 3.104 1.00 0.29 O ATOM 1301 CB VAL A 169 2.022 -11.369 1.916 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.369 -10.864 1.426 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.876 -12.869 1.778 1.00 0.48 C ATOM 0 HA VAL A 169 2.520 -11.514 3.998 1.00 0.32 H new ATOM 0 HB VAL A 169 1.244 -10.930 1.291 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.513 -11.161 0.387 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.399 -9.777 1.500 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.163 -11.291 2.039 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.009 -13.153 0.734 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.631 -13.366 2.388 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.883 -13.170 2.113 1.00 0.48 H new ATOM 1313 N ARG A 170 3.293 -9.073 3.613 1.00 0.23 N ATOM 1314 CA ARG A 170 3.584 -7.677 3.607 1.00 0.20 C ATOM 1315 C ARG A 170 4.716 -7.311 2.695 1.00 0.19 C ATOM 1316 O ARG A 170 5.673 -8.063 2.504 1.00 0.25 O ATOM 1317 CB ARG A 170 3.798 -7.191 5.007 1.00 0.26 C ATOM 1318 CG ARG A 170 4.663 -8.109 5.826 1.00 0.23 C ATOM 1319 CD ARG A 170 6.139 -7.981 5.510 1.00 0.39 C ATOM 1320 NE ARG A 170 6.971 -8.710 6.463 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.187 -8.321 6.848 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.682 -7.153 6.446 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.898 -9.089 7.663 1.00 1.61 N ATOM 0 H ARG A 170 4.085 -9.684 3.811 1.00 0.23 H new ATOM 0 HA ARG A 170 2.716 -7.164 3.193 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.256 -6.202 4.976 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.831 -7.079 5.498 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.505 -7.898 6.884 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.350 -9.139 5.656 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.328 -8.356 4.504 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.420 -6.928 5.516 1.00 0.39 H new ATOM 0 HE ARG A 170 6.598 -9.572 6.860 1.00 0.93 H new ATOM 0 HH11 ARG A 170 8.130 -6.547 5.838 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.613 -6.863 6.745 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.514 -9.974 7.993 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.828 -8.794 7.959 1.00 1.61 H new ATOM 1337 N ALA A 171 4.557 -6.157 2.107 1.00 0.17 N ATOM 1338 CA ALA A 171 5.521 -5.624 1.190 1.00 0.16 C ATOM 1339 C ALA A 171 6.117 -4.343 1.743 1.00 0.16 C ATOM 1340 O ALA A 171 5.563 -3.741 2.653 1.00 0.20 O ATOM 1341 CB ALA A 171 4.867 -5.378 -0.157 1.00 0.16 C ATOM 0 H ALA A 171 3.746 -5.556 2.254 1.00 0.17 H new ATOM 0 HA ALA A 171 6.328 -6.345 1.058 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.604 -4.973 -0.851 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.477 -6.317 -0.549 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.049 -4.667 -0.040 1.00 0.16 H new ATOM 1347 N ARG A 172 7.239 -3.928 1.195 1.00 0.16 N ATOM 1348 CA ARG A 172 7.883 -2.717 1.645 1.00 0.18 C ATOM 1349 C ARG A 172 7.815 -1.709 0.546 1.00 0.18 C ATOM 1350 O ARG A 172 8.345 -1.898 -0.546 1.00 0.22 O ATOM 1351 CB ARG A 172 9.316 -2.957 2.094 1.00 0.24 C ATOM 1352 CG ARG A 172 10.034 -1.700 2.557 1.00 0.79 C ATOM 1353 CD ARG A 172 11.243 -2.048 3.406 1.00 1.08 C ATOM 1354 NE ARG A 172 10.860 -2.827 4.583 1.00 1.97 N ATOM 1355 CZ ARG A 172 11.690 -3.166 5.564 1.00 2.59 C ATOM 1356 NH1 ARG A 172 12.971 -2.822 5.511 1.00 2.48 N ATOM 1357 NH2 ARG A 172 11.228 -3.863 6.595 1.00 3.69 N ATOM 0 H ARG A 172 7.722 -4.412 0.438 1.00 0.16 H new ATOM 0 HA ARG A 172 7.357 -2.342 2.523 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.315 -3.684 2.907 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.875 -3.401 1.270 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.348 -1.116 1.692 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.349 -1.076 3.131 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.958 -2.614 2.809 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.745 -1.133 3.721 1.00 1.08 H new ATOM 0 HE ARG A 172 9.889 -3.131 4.656 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.325 -2.294 4.713 1.00 2.48 H new ATOM 0 HH12 ARG A 172 13.602 -3.086 6.268 1.00 2.48 H new ATOM 0 HH21 ARG A 172 10.245 -4.133 6.629 1.00 3.69 H new ATOM 0 HH22 ARG A 172 11.856 -4.129 7.354 1.00 3.69 H new ATOM 1371 N LEU A 173 7.151 -0.645 0.858 1.00 0.20 N ATOM 1372 CA LEU A 173 6.685 0.280 -0.117 1.00 0.24 C ATOM 1373 C LEU A 173 7.506 1.566 -0.073 1.00 0.25 C ATOM 1374 O LEU A 173 7.427 2.341 0.859 1.00 0.48 O ATOM 1375 CB LEU A 173 5.211 0.508 0.181 1.00 0.37 C ATOM 1376 CG LEU A 173 4.759 1.923 0.020 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.440 2.216 -1.405 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.601 2.221 0.953 1.00 0.54 C ATOM 0 H LEU A 173 6.914 -0.391 1.817 1.00 0.20 H new ATOM 0 HA LEU A 173 6.800 -0.101 -1.132 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.618 -0.127 -0.477 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.006 0.188 1.203 1.00 0.37 H new ATOM 0 HG LEU A 173 5.573 2.591 0.302 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.113 3.252 -1.499 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.329 2.059 -2.016 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.645 1.552 -1.744 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.285 3.256 0.822 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.769 1.556 0.724 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.916 2.066 1.985 1.00 0.54 H new ATOM 1390 N THR A 174 8.278 1.798 -1.103 1.00 0.17 N ATOM 1391 CA THR A 174 9.275 2.845 -1.078 1.00 0.15 C ATOM 1392 C THR A 174 8.917 4.014 -1.967 1.00 0.13 C ATOM 1393 O THR A 174 8.213 3.862 -2.957 1.00 0.12 O ATOM 1394 CB THR A 174 10.634 2.282 -1.489 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.078 1.309 -0.538 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.636 3.399 -1.614 1.00 0.20 C ATOM 0 H THR A 174 8.237 1.274 -1.977 1.00 0.17 H new ATOM 0 HA THR A 174 9.318 3.219 -0.055 1.00 0.15 H new ATOM 0 HB THR A 174 10.536 1.792 -2.458 1.00 0.18 H new ATOM 0 HG1 THR A 174 11.949 0.955 -0.814 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.603 2.990 -1.907 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.298 4.108 -2.370 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.734 3.909 -0.656 1.00 0.20 H new ATOM 1404 N PHE A 175 9.421 5.184 -1.591 1.00 0.16 N ATOM 1405 CA PHE A 175 9.150 6.406 -2.296 1.00 0.17 C ATOM 1406 C PHE A 175 10.412 7.054 -2.871 1.00 0.19 C ATOM 1407 O PHE A 175 11.102 7.797 -2.174 1.00 0.32 O ATOM 1408 CB PHE A 175 8.530 7.374 -1.328 1.00 0.30 C ATOM 1409 CG PHE A 175 7.535 6.745 -0.428 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.353 6.240 -0.926 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.794 6.644 0.917 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.441 5.646 -0.094 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.888 6.054 1.756 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.705 5.552 1.249 1.00 0.15 C ATOM 0 H PHE A 175 10.031 5.299 -0.782 1.00 0.16 H new ATOM 0 HA PHE A 175 8.490 6.168 -3.130 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.316 7.830 -0.727 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.049 8.177 -1.886 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.144 6.313 -1.983 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.719 7.033 1.315 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.518 5.253 -0.494 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.098 5.981 2.813 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.989 5.086 1.909 1.00 0.15 H new ATOM 1424 N ASP A 176 10.681 6.830 -4.144 1.00 0.16 N ATOM 1425 CA ASP A 176 11.900 7.347 -4.769 1.00 0.20 C ATOM 1426 C ASP A 176 11.691 8.765 -5.268 1.00 0.19 C ATOM 1427 O ASP A 176 11.146 8.984 -6.344 1.00 0.20 O ATOM 1428 CB ASP A 176 12.346 6.454 -5.929 1.00 0.29 C ATOM 1429 CG ASP A 176 13.595 6.963 -6.615 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.533 7.277 -7.820 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.646 7.070 -5.948 1.00 0.68 O ATOM 0 H ASP A 176 10.078 6.296 -4.770 1.00 0.16 H new ATOM 0 HA ASP A 176 12.682 7.350 -4.009 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.527 5.446 -5.556 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.539 6.384 -6.659 1.00 0.29 H new ATOM 1436 N GLY A 177 12.101 9.729 -4.472 1.00 0.21 N ATOM 1437 CA GLY A 177 12.028 11.108 -4.903 1.00 0.23 C ATOM 1438 C GLY A 177 10.686 11.733 -4.623 1.00 0.23 C ATOM 1439 O GLY A 177 10.266 11.831 -3.469 1.00 0.27 O ATOM 0 H GLY A 177 12.483 9.587 -3.537 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.805 11.684 -4.400 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.234 11.162 -5.972 1.00 0.23 H new ATOM 1443 N ASP A 178 10.020 12.141 -5.686 1.00 0.22 N ATOM 1444 CA ASP A 178 8.710 12.759 -5.591 1.00 0.26 C ATOM 1445 C ASP A 178 7.724 11.811 -6.175 1.00 0.23 C ATOM 1446 O ASP A 178 6.581 12.165 -6.442 1.00 0.25 O ATOM 1447 CB ASP A 178 8.653 14.072 -6.359 1.00 0.34 C ATOM 1448 CG ASP A 178 8.651 15.280 -5.447 1.00 1.10 C ATOM 1449 OD1 ASP A 178 9.681 15.542 -4.792 1.00 1.61 O ATOM 1450 OD2 ASP A 178 7.619 15.979 -5.379 1.00 1.34 O ATOM 0 H ASP A 178 10.371 12.054 -6.640 1.00 0.22 H new ATOM 0 HA ASP A 178 8.491 12.977 -4.546 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.507 14.132 -7.033 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.756 14.088 -6.979 1.00 0.34 H new ATOM 1455 N HIS A 179 8.186 10.590 -6.361 1.00 0.19 N ATOM 1456 CA HIS A 179 7.372 9.547 -6.915 1.00 0.17 C ATOM 1457 C HIS A 179 7.604 8.238 -6.206 1.00 0.13 C ATOM 1458 O HIS A 179 8.601 8.057 -5.520 1.00 0.13 O ATOM 1459 CB HIS A 179 7.670 9.405 -8.412 1.00 0.22 C ATOM 1460 CG HIS A 179 9.032 8.872 -8.751 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.318 7.527 -8.832 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.186 9.515 -9.040 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.587 7.368 -9.153 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.142 8.558 -9.286 1.00 0.45 N ATOM 0 H HIS A 179 9.137 10.302 -6.130 1.00 0.19 H new ATOM 0 HA HIS A 179 6.324 9.815 -6.778 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.921 8.747 -8.853 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.553 10.381 -8.882 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.652 6.772 -8.669 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.330 10.585 -9.072 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.089 6.421 -9.285 1.00 1.05 H new ATOM 1473 N LEU A 180 6.652 7.333 -6.362 1.00 0.13 N ATOM 1474 CA LEU A 180 6.778 6.018 -5.765 1.00 0.12 C ATOM 1475 C LEU A 180 7.944 5.275 -6.349 1.00 0.14 C ATOM 1476 O LEU A 180 8.211 5.335 -7.548 1.00 0.22 O ATOM 1477 CB LEU A 180 5.508 5.210 -5.963 1.00 0.17 C ATOM 1478 CG LEU A 180 5.293 4.138 -4.909 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.464 4.767 -3.555 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.918 3.525 -5.031 1.00 0.20 C ATOM 0 H LEU A 180 5.793 7.484 -6.891 1.00 0.13 H new ATOM 0 HA LEU A 180 6.946 6.156 -4.697 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.654 5.887 -5.959 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.537 4.739 -6.946 1.00 0.17 H new ATOM 0 HG LEU A 180 6.021 3.339 -5.049 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.314 4.013 -2.782 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.470 5.179 -3.469 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.733 5.566 -3.430 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.791 2.761 -4.264 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.162 4.299 -4.901 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.808 3.072 -6.016 1.00 0.20 H new ATOM 1492 N ALA A 181 8.645 4.593 -5.475 1.00 0.12 N ATOM 1493 CA ALA A 181 9.820 3.881 -5.848 1.00 0.13 C ATOM 1494 C ALA A 181 9.507 2.453 -6.212 1.00 0.14 C ATOM 1495 O ALA A 181 9.916 1.952 -7.257 1.00 0.15 O ATOM 1496 CB ALA A 181 10.778 3.903 -4.697 1.00 0.13 C ATOM 0 H ALA A 181 8.407 4.523 -4.486 1.00 0.12 H new ATOM 0 HA ALA A 181 10.257 4.362 -6.723 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.684 3.361 -4.967 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.031 4.935 -4.454 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.317 3.429 -3.831 1.00 0.13 H new ATOM 1502 N THR A 182 8.779 1.805 -5.319 1.00 0.15 N ATOM 1503 CA THR A 182 8.503 0.398 -5.429 1.00 0.18 C ATOM 1504 C THR A 182 7.733 -0.070 -4.229 1.00 0.17 C ATOM 1505 O THR A 182 7.480 0.682 -3.293 1.00 0.16 O ATOM 1506 CB THR A 182 9.797 -0.425 -5.496 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.521 -1.761 -5.940 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.441 -0.464 -4.118 1.00 0.24 C ATOM 0 H THR A 182 8.365 2.248 -4.499 1.00 0.15 H new ATOM 0 HA THR A 182 7.929 0.255 -6.345 1.00 0.18 H new ATOM 0 HB THR A 182 10.478 0.043 -6.207 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.356 -2.272 -5.979 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.360 -1.048 -4.162 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.671 0.551 -3.795 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.753 -0.923 -3.408 1.00 0.24 H new ATOM 1516 N ILE A 183 7.399 -1.324 -4.284 1.00 0.20 N ATOM 1517 CA ILE A 183 6.759 -2.036 -3.232 1.00 0.18 C ATOM 1518 C ILE A 183 7.243 -3.464 -3.346 1.00 0.20 C ATOM 1519 O ILE A 183 7.316 -3.998 -4.451 1.00 0.28 O ATOM 1520 CB ILE A 183 5.249 -1.982 -3.378 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.785 -0.587 -2.995 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.597 -3.062 -2.540 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.436 0.279 -4.167 1.00 0.20 C ATOM 0 H ILE A 183 7.576 -1.902 -5.106 1.00 0.20 H new ATOM 0 HA ILE A 183 6.998 -1.601 -2.262 1.00 0.18 H new ATOM 0 HB ILE A 183 4.953 -2.176 -4.409 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.914 -0.670 -2.345 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.570 -0.100 -2.416 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.515 -3.009 -2.656 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.950 -4.040 -2.868 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.857 -2.916 -1.492 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.114 1.258 -3.813 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.310 0.394 -4.807 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.629 -0.185 -4.735 1.00 0.20 H new ATOM 1535 N VAL A 184 7.621 -4.070 -2.253 1.00 0.21 N ATOM 1536 CA VAL A 184 8.272 -5.360 -2.325 1.00 0.24 C ATOM 1537 C VAL A 184 7.710 -6.335 -1.335 1.00 0.23 C ATOM 1538 O VAL A 184 7.853 -6.120 -0.142 1.00 0.22 O ATOM 1539 CB VAL A 184 9.764 -5.215 -2.039 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.423 -6.572 -1.969 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.402 -4.343 -3.102 1.00 0.34 C ATOM 0 H VAL A 184 7.494 -3.701 -1.311 1.00 0.21 H new ATOM 0 HA VAL A 184 8.100 -5.738 -3.333 1.00 0.24 H new ATOM 0 HB VAL A 184 9.902 -4.734 -1.071 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.487 -6.450 -1.764 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.965 -7.158 -1.172 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.293 -7.089 -2.920 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.468 -4.240 -2.897 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.264 -4.802 -4.081 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.934 -3.359 -3.094 1.00 0.34 H new ATOM 1551 N ASN A 185 7.111 -7.417 -1.820 1.00 0.29 N ATOM 1552 CA ASN A 185 6.666 -8.479 -0.933 1.00 0.32 C ATOM 1553 C ASN A 185 7.870 -9.007 -0.207 1.00 0.33 C ATOM 1554 O ASN A 185 8.622 -9.834 -0.709 1.00 0.40 O ATOM 1555 CB ASN A 185 5.953 -9.600 -1.698 1.00 0.44 C ATOM 1556 CG ASN A 185 4.591 -9.182 -2.219 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.354 -8.013 -2.520 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.683 -10.137 -2.324 1.00 1.57 N ATOM 0 H ASN A 185 6.925 -7.579 -2.810 1.00 0.29 H new ATOM 0 HA ASN A 185 5.939 -8.081 -0.225 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.576 -9.916 -2.535 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.837 -10.464 -1.043 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.747 -9.916 -2.665 1.00 1.57 H new ATOM 0 HD22 ASN A 185 3.918 -11.095 -2.064 1.00 1.57 H new ATOM 1565 N MET A 186 8.006 -8.489 0.993 1.00 0.31 N ATOM 1566 CA MET A 186 9.199 -8.568 1.807 1.00 0.36 C ATOM 1567 C MET A 186 9.602 -9.963 2.110 1.00 0.43 C ATOM 1568 O MET A 186 10.731 -10.230 2.519 1.00 0.53 O ATOM 1569 CB MET A 186 8.924 -7.810 3.077 1.00 0.36 C ATOM 1570 CG MET A 186 8.995 -6.328 2.866 1.00 0.34 C ATOM 1571 SD MET A 186 10.638 -5.798 2.337 1.00 0.94 S ATOM 1572 CE MET A 186 11.635 -6.282 3.745 1.00 1.42 C ATOM 0 H MET A 186 7.252 -7.977 1.450 1.00 0.31 H new ATOM 0 HA MET A 186 10.034 -8.135 1.256 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.936 -8.077 3.453 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.646 -8.104 3.839 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.260 -6.033 2.117 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.730 -5.817 3.791 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.571 -5.724 3.737 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.093 -6.067 4.666 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.848 -7.350 3.690 1.00 1.42 H new ATOM 1582 N GLU A 187 8.684 -10.843 1.897 1.00 0.43 N ATOM 1583 CA GLU A 187 8.908 -12.204 2.158 1.00 0.51 C ATOM 1584 C GLU A 187 9.844 -12.774 1.125 1.00 0.59 C ATOM 1585 O GLU A 187 10.782 -13.509 1.426 1.00 0.68 O ATOM 1586 CB GLU A 187 7.580 -12.896 2.126 1.00 0.50 C ATOM 1587 CG GLU A 187 6.501 -12.050 2.758 1.00 0.42 C ATOM 1588 CD GLU A 187 5.519 -12.860 3.573 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.567 -12.781 4.817 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.703 -13.587 2.979 1.00 0.67 O ATOM 0 H GLU A 187 7.755 -10.627 1.535 1.00 0.43 H new ATOM 0 HA GLU A 187 9.372 -12.345 3.134 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.310 -13.121 1.094 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.652 -13.848 2.651 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.964 -11.299 3.398 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.962 -11.515 1.976 1.00 0.42 H new ATOM 1597 N ASN A 188 9.566 -12.402 -0.098 1.00 0.58 N ATOM 1598 CA ASN A 188 10.369 -12.820 -1.226 1.00 0.67 C ATOM 1599 C ASN A 188 11.424 -11.785 -1.558 1.00 0.64 C ATOM 1600 O ASN A 188 12.533 -12.130 -1.964 1.00 0.74 O ATOM 1601 CB ASN A 188 9.492 -13.069 -2.457 1.00 0.73 C ATOM 1602 CG ASN A 188 8.305 -13.964 -2.164 1.00 1.45 C ATOM 1603 OD1 ASN A 188 7.231 -13.484 -1.803 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.484 -15.263 -2.322 1.00 1.95 N ATOM 0 H ASN A 188 8.779 -11.802 -0.343 1.00 0.58 H new ATOM 0 HA ASN A 188 10.864 -13.750 -0.947 1.00 0.67 H new ATOM 0 HB2 ASN A 188 9.134 -12.114 -2.841 1.00 0.73 H new ATOM 0 HB3 ASN A 188 10.097 -13.522 -3.242 1.00 0.73 H new ATOM 0 HD21 ASN A 188 7.715 -15.909 -2.143 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.391 -15.620 -2.623 1.00 1.95 H new ATOM 1611 N ASN A 189 11.060 -10.516 -1.339 1.00 0.53 N ATOM 1612 CA ASN A 189 11.906 -9.348 -1.581 1.00 0.52 C ATOM 1613 C ASN A 189 12.757 -9.404 -2.860 1.00 0.61 C ATOM 1614 O ASN A 189 13.742 -8.676 -2.980 1.00 0.71 O ATOM 1615 CB ASN A 189 12.756 -9.082 -0.343 1.00 0.59 C ATOM 1616 CG ASN A 189 14.020 -9.927 -0.232 1.00 1.12 C ATOM 1617 OD1 ASN A 189 15.087 -9.538 -0.710 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.923 -11.068 0.434 1.00 1.74 N ATOM 0 H ASN A 189 10.139 -10.269 -0.977 1.00 0.53 H new ATOM 0 HA ASN A 189 11.232 -8.511 -1.765 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.039 -8.030 -0.335 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.144 -9.254 0.542 1.00 0.59 H new ATOM 0 HD21 ASN A 189 14.747 -11.654 0.564 1.00 1.74 H new ATOM 0 HD22 ASN A 189 13.024 -11.360 0.817 1.00 1.74 H new