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 151 SER OG : rot -140:sc= -0.687 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 118 THR OG1 : rot 28:sc= -0.151 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -0.0574 (180deg=-0.342) USER MOD Single : A 122 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.034) USER MOD Single : A 124 MET CE :methyl 139:sc= -0.0104 (180deg=-0.325) USER MOD Single : A 126 LYS NZ :NH3+ -173:sc=-0.00929 (180deg=-0.0744) USER MOD Single : A 131 THR OG1 : rot -36:sc= 0.144 USER MOD Single : A 132 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.98) USER MOD Single : A 133 TYR OH : rot 79:sc= -4.8! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.23) 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 139 MET CE :methyl 136:sc= -6.91! (180deg=-12.7!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -139:sc= 0 (180deg=-0.718) USER MOD Single : A 179 HIS : no HE2:sc= 0.315 K(o=0.32,f=-2.5!) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 185 ASN : amide:sc= -3.99! K(o=-4!,f=-0.91) USER MOD Single : A 186 MET CE :methyl 138:sc= -0.214 (180deg=-0.831) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.235 8.531 -8.049 1.00 0.27 N ATOM 468 CA THR A 118 4.223 9.542 -7.787 1.00 0.26 C ATOM 469 C THR A 118 3.833 10.360 -6.583 1.00 0.25 C ATOM 470 O THR A 118 2.885 11.143 -6.617 1.00 0.32 O ATOM 471 CB THR A 118 4.430 10.440 -9.006 1.00 0.30 C ATOM 472 OG1 THR A 118 5.055 9.700 -10.061 1.00 0.32 O ATOM 473 CG2 THR A 118 5.231 11.705 -8.687 1.00 0.32 C ATOM 0 HA THR A 118 5.169 9.043 -7.576 1.00 0.26 H new ATOM 0 HB THR A 118 3.443 10.773 -9.329 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.824 8.751 -9.977 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.345 12.302 -9.592 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.704 12.288 -7.932 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.215 11.427 -8.310 1.00 0.32 H new ATOM 481 N ILE A 119 4.540 10.119 -5.505 1.00 0.19 N ATOM 482 CA ILE A 119 4.251 10.745 -4.257 1.00 0.18 C ATOM 483 C ILE A 119 5.525 11.196 -3.572 1.00 0.19 C ATOM 484 O ILE A 119 6.618 10.762 -3.890 1.00 0.20 O ATOM 485 CB ILE A 119 3.622 9.753 -3.317 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.688 8.846 -2.826 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.570 8.941 -3.957 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.340 8.299 -1.530 1.00 0.17 C ATOM 0 H ILE A 119 5.334 9.479 -5.479 1.00 0.19 H new ATOM 0 HA ILE A 119 3.593 11.588 -4.469 1.00 0.18 H new ATOM 0 HB ILE A 119 3.151 10.312 -2.508 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.840 8.036 -3.539 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.630 9.389 -2.756 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.154 8.245 -3.229 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.780 9.595 -4.326 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.997 8.383 -4.790 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.136 7.637 -1.189 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.212 9.111 -0.815 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.410 7.737 -1.610 1.00 0.17 H new ATOM 500 N SER A 120 5.333 11.908 -2.517 1.00 0.21 N ATOM 501 CA SER A 120 6.422 12.557 -1.816 1.00 0.28 C ATOM 502 C SER A 120 6.459 12.070 -0.372 1.00 0.28 C ATOM 503 O SER A 120 5.562 11.339 0.051 1.00 0.25 O ATOM 504 CB SER A 120 6.251 14.078 -1.882 1.00 0.36 C ATOM 505 OG SER A 120 7.414 14.749 -1.430 1.00 1.29 O ATOM 0 H SER A 120 4.415 12.067 -2.101 1.00 0.21 H new ATOM 0 HA SER A 120 7.370 12.303 -2.291 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.032 14.377 -2.907 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.397 14.376 -1.274 1.00 0.36 H new ATOM 0 HG SER A 120 7.275 15.718 -1.486 1.00 1.29 H new ATOM 511 N LYS A 121 7.486 12.466 0.375 1.00 0.35 N ATOM 512 CA LYS A 121 7.636 12.036 1.771 1.00 0.40 C ATOM 513 C LYS A 121 6.362 12.286 2.578 1.00 0.36 C ATOM 514 O LYS A 121 5.873 11.399 3.270 1.00 0.38 O ATOM 515 CB LYS A 121 8.813 12.746 2.448 1.00 0.50 C ATOM 516 CG LYS A 121 9.049 12.271 3.874 1.00 1.34 C ATOM 517 CD LYS A 121 10.128 13.080 4.574 1.00 1.71 C ATOM 518 CE LYS A 121 10.334 12.605 6.004 1.00 2.46 C ATOM 519 NZ LYS A 121 9.092 12.718 6.815 1.00 3.26 N ATOM 0 H LYS A 121 8.227 13.082 0.042 1.00 0.35 H new ATOM 0 HA LYS A 121 7.831 10.964 1.749 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.717 12.581 1.861 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.628 13.820 2.454 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.119 12.343 4.438 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.335 11.219 3.863 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.064 12.996 4.022 1.00 1.71 H new ATOM 0 HD3 LYS A 121 9.852 14.134 4.575 1.00 1.71 H new ATOM 0 HE2 LYS A 121 10.668 11.568 5.996 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.126 13.192 6.470 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 9.325 12.614 7.823 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 8.656 13.648 6.654 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 8.425 11.970 6.535 1.00 3.26 H new ATOM 533 N ASN A 122 5.815 13.484 2.477 1.00 0.37 N ATOM 534 CA ASN A 122 4.603 13.816 3.203 1.00 0.37 C ATOM 535 C ASN A 122 3.402 13.317 2.447 1.00 0.30 C ATOM 536 O ASN A 122 2.327 13.144 3.022 1.00 0.29 O ATOM 537 CB ASN A 122 4.497 15.326 3.426 1.00 0.48 C ATOM 538 CG ASN A 122 3.257 15.732 4.208 1.00 1.22 C ATOM 539 OD1 ASN A 122 2.218 16.046 3.626 1.00 2.17 O ATOM 540 ND2 ASN A 122 3.358 15.732 5.530 1.00 1.64 N ATOM 0 H ASN A 122 6.188 14.240 1.902 1.00 0.37 H new ATOM 0 HA ASN A 122 4.640 13.331 4.178 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.383 15.671 3.959 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.490 15.830 2.459 1.00 0.48 H new ATOM 0 HD21 ASN A 122 2.557 15.999 6.103 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.237 15.465 5.974 1.00 1.64 H new ATOM 547 N GLU A 123 3.583 13.034 1.162 1.00 0.27 N ATOM 548 CA GLU A 123 2.491 12.579 0.376 1.00 0.25 C ATOM 549 C GLU A 123 2.089 11.214 0.814 1.00 0.21 C ATOM 550 O GLU A 123 0.962 10.824 0.684 1.00 0.26 O ATOM 551 CB GLU A 123 2.771 12.612 -1.101 1.00 0.27 C ATOM 552 CG GLU A 123 1.905 13.626 -1.793 1.00 0.30 C ATOM 553 CD GLU A 123 2.025 13.605 -3.298 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.069 14.050 -3.819 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.087 13.128 -3.966 1.00 0.50 O ATOM 0 H GLU A 123 4.471 13.117 0.667 1.00 0.27 H new ATOM 0 HA GLU A 123 1.665 13.272 0.538 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.821 12.850 -1.270 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.595 11.626 -1.530 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.865 13.450 -1.518 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.166 14.620 -1.431 1.00 0.30 H new ATOM 562 N MET A 124 2.987 10.506 1.399 1.00 0.19 N ATOM 563 CA MET A 124 2.623 9.206 1.877 1.00 0.20 C ATOM 564 C MET A 124 2.035 9.322 3.253 1.00 0.17 C ATOM 565 O MET A 124 1.155 8.562 3.621 1.00 0.16 O ATOM 566 CB MET A 124 3.783 8.218 1.837 1.00 0.27 C ATOM 567 CG MET A 124 5.009 8.615 2.652 1.00 1.21 C ATOM 568 SD MET A 124 4.834 8.276 4.415 1.00 2.28 S ATOM 569 CE MET A 124 6.472 8.687 5.004 1.00 3.06 C ATOM 0 H MET A 124 3.955 10.786 1.559 1.00 0.19 H new ATOM 0 HA MET A 124 1.869 8.799 1.204 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.427 7.252 2.195 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.086 8.082 0.799 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.879 8.080 2.271 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.202 9.679 2.511 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.395 9.224 5.949 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.045 7.772 5.153 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.976 9.316 4.270 1.00 3.06 H new ATOM 579 N VAL A 125 2.479 10.334 3.966 1.00 0.20 N ATOM 580 CA VAL A 125 2.074 10.556 5.335 1.00 0.22 C ATOM 581 C VAL A 125 0.587 10.795 5.455 1.00 0.21 C ATOM 582 O VAL A 125 -0.044 10.506 6.469 1.00 0.23 O ATOM 583 CB VAL A 125 2.832 11.752 5.909 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.018 12.447 6.984 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.179 11.295 6.429 1.00 0.32 C ATOM 0 H VAL A 125 3.135 11.029 3.609 1.00 0.20 H new ATOM 0 HA VAL A 125 2.312 9.654 5.899 1.00 0.22 H new ATOM 0 HB VAL A 125 2.999 12.484 5.119 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.581 13.294 7.376 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.079 12.801 6.558 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.809 11.746 7.792 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.720 12.148 6.838 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.033 10.549 7.210 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.755 10.858 5.613 1.00 0.32 H new ATOM 595 N LYS A 126 0.059 11.397 4.450 1.00 0.20 N ATOM 596 CA LYS A 126 -1.361 11.507 4.303 1.00 0.20 C ATOM 597 C LYS A 126 -1.923 10.199 3.795 1.00 0.16 C ATOM 598 O LYS A 126 -2.916 9.738 4.300 1.00 0.19 O ATOM 599 CB LYS A 126 -1.641 12.604 3.313 1.00 0.24 C ATOM 600 CG LYS A 126 -1.082 12.228 1.964 1.00 0.32 C ATOM 601 CD LYS A 126 -0.307 13.282 1.270 1.00 0.39 C ATOM 602 CE LYS A 126 -1.097 14.534 1.054 1.00 0.59 C ATOM 603 NZ LYS A 126 -2.267 14.312 0.163 1.00 1.51 N ATOM 0 H LYS A 126 0.596 11.831 3.699 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.827 11.736 5.261 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.715 12.773 3.238 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.194 13.538 3.655 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.441 11.355 2.088 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.909 11.928 1.320 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.584 13.516 1.853 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.034 12.902 0.307 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -1.441 14.915 2.015 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -0.452 15.299 0.621 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -2.716 15.225 -0.055 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.951 13.863 -0.720 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -2.954 13.693 0.640 1.00 1.51 H new ATOM 617 N LEU A 127 -1.253 9.599 2.815 1.00 0.15 N ATOM 618 CA LEU A 127 -1.758 8.443 2.129 1.00 0.19 C ATOM 619 C LEU A 127 -1.969 7.285 2.995 1.00 0.20 C ATOM 620 O LEU A 127 -2.931 6.591 2.774 1.00 0.24 O ATOM 621 CB LEU A 127 -0.885 8.059 0.987 1.00 0.25 C ATOM 622 CG LEU A 127 -1.438 8.601 -0.310 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.395 9.390 -1.099 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.052 7.479 -1.109 1.00 0.40 C ATOM 0 H LEU A 127 -0.341 9.913 2.483 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.736 8.745 1.756 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.123 8.442 1.147 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.808 6.973 0.930 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.225 9.320 -0.080 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.840 9.759 -2.023 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.048 10.233 -0.502 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.449 8.742 -1.336 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.450 7.874 -2.044 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.292 6.729 -1.326 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.859 7.023 -0.535 1.00 0.40 H new ATOM 636 N LEU A 128 -1.129 7.036 3.971 1.00 0.18 N ATOM 637 CA LEU A 128 -1.450 5.937 4.809 1.00 0.24 C ATOM 638 C LEU A 128 -2.769 6.233 5.529 1.00 0.26 C ATOM 639 O LEU A 128 -3.656 5.399 5.591 1.00 0.32 O ATOM 640 CB LEU A 128 -0.316 5.490 5.770 1.00 0.28 C ATOM 641 CG LEU A 128 0.519 6.526 6.512 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.748 6.854 5.756 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.239 7.756 6.739 1.00 0.21 C ATOM 0 H LEU A 128 -0.274 7.549 4.187 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.573 5.064 4.168 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.767 4.842 6.521 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.373 4.875 5.191 1.00 0.28 H new ATOM 0 HG LEU A 128 0.788 6.089 7.474 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.327 7.596 6.307 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.346 5.952 5.624 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.478 7.256 4.780 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.385 8.475 7.270 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.543 8.178 5.781 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.124 7.533 7.335 1.00 0.21 H new ATOM 655 N GLU A 129 -2.926 7.461 5.973 1.00 0.23 N ATOM 656 CA GLU A 129 -4.124 7.897 6.657 1.00 0.28 C ATOM 657 C GLU A 129 -5.260 7.890 5.681 1.00 0.25 C ATOM 658 O GLU A 129 -6.421 7.633 6.006 1.00 0.31 O ATOM 659 CB GLU A 129 -3.896 9.300 7.137 1.00 0.32 C ATOM 660 CG GLU A 129 -2.633 9.409 7.943 1.00 0.44 C ATOM 661 CD GLU A 129 -2.584 8.447 9.120 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.656 8.147 9.689 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.472 8.050 9.523 1.00 2.23 O ATOM 0 H GLU A 129 -2.221 8.190 5.869 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.355 7.241 7.496 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.842 9.974 6.282 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.744 9.621 7.742 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.778 9.221 7.293 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.533 10.430 8.313 1.00 0.44 H new ATOM 670 N ALA A 130 -4.860 8.148 4.463 1.00 0.21 N ATOM 671 CA ALA A 130 -5.749 8.329 3.367 1.00 0.25 C ATOM 672 C ALA A 130 -6.122 6.980 2.771 1.00 0.28 C ATOM 673 O ALA A 130 -6.999 6.879 1.913 1.00 0.33 O ATOM 674 CB ALA A 130 -5.071 9.216 2.325 1.00 0.26 C ATOM 0 H ALA A 130 -3.876 8.239 4.209 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.666 8.811 3.705 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.743 9.362 1.479 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.832 10.182 2.770 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.154 8.738 1.981 1.00 0.26 H new ATOM 680 N THR A 131 -5.445 5.943 3.253 1.00 0.26 N ATOM 681 CA THR A 131 -5.614 4.603 2.744 1.00 0.29 C ATOM 682 C THR A 131 -6.042 3.689 3.891 1.00 0.29 C ATOM 683 O THR A 131 -6.228 2.484 3.728 1.00 0.33 O ATOM 684 CB THR A 131 -4.316 4.101 2.075 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.559 2.895 1.334 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.255 3.861 3.122 1.00 0.28 C ATOM 0 H THR A 131 -4.764 6.017 4.009 1.00 0.26 H new ATOM 0 HA THR A 131 -6.389 4.597 1.978 1.00 0.29 H new ATOM 0 HB THR A 131 -3.967 4.866 1.381 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.217 2.346 1.809 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.343 3.507 2.641 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.049 4.791 3.651 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.606 3.111 3.831 1.00 0.28 H new ATOM 694 N GLN A 132 -6.183 4.322 5.053 1.00 0.25 N ATOM 695 CA GLN A 132 -6.581 3.688 6.307 1.00 0.25 C ATOM 696 C GLN A 132 -5.472 2.829 6.903 1.00 0.21 C ATOM 697 O GLN A 132 -5.653 1.645 7.191 1.00 0.23 O ATOM 698 CB GLN A 132 -7.866 2.878 6.165 1.00 0.32 C ATOM 699 CG GLN A 132 -9.062 3.705 5.726 1.00 0.41 C ATOM 700 CD GLN A 132 -9.332 4.883 6.644 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.054 4.834 7.845 1.00 2.19 O ATOM 702 NE2 GLN A 132 -9.872 5.953 6.086 1.00 2.15 N ATOM 0 H GLN A 132 -6.018 5.324 5.151 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.776 4.505 7.001 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.703 2.078 5.443 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.094 2.404 7.120 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.893 4.071 4.713 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.945 3.068 5.691 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.087 5.955 5.089 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.073 6.777 6.652 1.00 2.15 H new ATOM 711 N TYR A 133 -4.332 3.456 7.091 1.00 0.17 N ATOM 712 CA TYR A 133 -3.164 2.846 7.642 1.00 0.15 C ATOM 713 C TYR A 133 -2.378 3.951 8.318 1.00 0.15 C ATOM 714 O TYR A 133 -2.397 5.086 7.894 1.00 0.18 O ATOM 715 CB TYR A 133 -2.359 2.088 6.571 1.00 0.16 C ATOM 716 CG TYR A 133 -0.857 2.325 6.567 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.156 2.264 7.760 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.128 2.612 5.405 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.198 2.473 7.798 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.211 2.806 5.447 1.00 0.25 C ATOM 721 CZ TYR A 133 1.871 2.773 6.484 1.00 0.19 C ATOM 722 OH TYR A 133 3.223 2.949 6.662 1.00 0.27 O ATOM 0 H TYR A 133 -4.198 4.439 6.853 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.422 2.081 8.374 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.537 1.020 6.700 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.751 2.360 5.591 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.686 2.048 8.676 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.644 2.680 4.459 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.754 2.425 8.723 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.728 3.000 4.519 1.00 0.25 H new ATOM 0 HH TYR A 133 3.659 2.075 6.742 1.00 0.27 H new ATOM 732 N ARG A 134 -1.761 3.647 9.409 1.00 0.15 N ATOM 733 CA ARG A 134 -1.094 4.645 10.194 1.00 0.18 C ATOM 734 C ARG A 134 0.163 4.006 10.738 1.00 0.19 C ATOM 735 O ARG A 134 0.236 2.780 10.763 1.00 0.18 O ATOM 736 CB ARG A 134 -2.031 5.037 11.318 1.00 0.18 C ATOM 737 CG ARG A 134 -3.463 5.231 10.838 1.00 0.22 C ATOM 738 CD ARG A 134 -4.186 3.901 10.737 1.00 0.25 C ATOM 739 NE ARG A 134 -4.517 3.336 12.041 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.871 2.065 12.232 1.00 0.44 C ATOM 741 NH1 ARG A 134 -5.100 1.270 11.193 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.027 1.597 13.462 1.00 0.49 N ATOM 0 H ARG A 134 -1.701 2.702 9.787 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.833 5.534 9.620 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -2.010 4.268 12.090 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.677 5.959 11.778 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.996 5.887 11.526 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.461 5.723 9.865 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -5.102 4.033 10.161 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.563 3.195 10.188 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.475 3.950 12.855 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -5.005 1.631 10.244 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.371 0.298 11.344 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -4.876 2.209 14.264 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.298 0.624 13.607 1.00 0.49 H new ATOM 756 N GLN A 135 1.143 4.797 11.146 1.00 0.22 N ATOM 757 CA GLN A 135 2.381 4.249 11.667 1.00 0.25 C ATOM 758 C GLN A 135 2.151 3.182 12.687 1.00 0.24 C ATOM 759 O GLN A 135 1.209 3.228 13.484 1.00 0.30 O ATOM 760 CB GLN A 135 3.256 5.325 12.289 1.00 0.35 C ATOM 761 CG GLN A 135 4.516 4.774 12.933 1.00 0.88 C ATOM 762 CD GLN A 135 5.691 5.730 12.876 1.00 1.36 C ATOM 763 OE1 GLN A 135 5.522 6.949 12.859 1.00 1.87 O ATOM 764 NE2 GLN A 135 6.895 5.184 12.856 1.00 1.96 N ATOM 0 H GLN A 135 1.104 5.816 11.126 1.00 0.22 H new ATOM 0 HA GLN A 135 2.888 3.813 10.806 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.534 6.047 11.521 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.678 5.865 13.039 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.306 4.531 13.974 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.791 3.843 12.437 1.00 0.88 H new ATOM 0 HE21 GLN A 135 6.995 4.169 12.871 1.00 1.96 H new ATOM 0 HE22 GLN A 135 7.724 5.778 12.825 1.00 1.96 H new ATOM 773 N VAL A 136 3.049 2.231 12.667 1.00 0.23 N ATOM 774 CA VAL A 136 2.905 1.086 13.476 1.00 0.24 C ATOM 775 C VAL A 136 4.216 0.709 14.154 1.00 0.27 C ATOM 776 O VAL A 136 5.297 1.021 13.654 1.00 0.27 O ATOM 777 CB VAL A 136 2.359 -0.076 12.613 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.749 -1.442 13.126 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.864 0.024 12.486 1.00 0.20 C ATOM 0 H VAL A 136 3.889 2.244 12.088 1.00 0.23 H new ATOM 0 HA VAL A 136 2.196 1.303 14.275 1.00 0.24 H new ATOM 0 HB VAL A 136 2.821 0.029 11.632 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.332 -2.209 12.473 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.835 -1.529 13.140 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.361 -1.576 14.136 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.495 -0.800 11.876 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.411 -0.026 13.476 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.601 0.971 12.014 1.00 0.20 H new ATOM 789 N SER A 137 4.095 0.061 15.299 1.00 0.31 N ATOM 790 CA SER A 137 5.227 -0.486 16.019 1.00 0.35 C ATOM 791 C SER A 137 5.965 -1.512 15.196 1.00 0.33 C ATOM 792 O SER A 137 7.185 -1.462 15.039 1.00 0.35 O ATOM 793 CB SER A 137 4.695 -1.175 17.249 1.00 0.39 C ATOM 794 OG SER A 137 4.476 -0.264 18.314 1.00 0.73 O ATOM 0 H SER A 137 3.199 -0.101 15.758 1.00 0.31 H new ATOM 0 HA SER A 137 5.915 0.324 16.260 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.760 -1.681 17.006 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.399 -1.943 17.568 1.00 0.39 H new ATOM 0 HG SER A 137 4.130 -0.748 19.093 1.00 0.73 H new ATOM 800 N LYS A 138 5.197 -2.427 14.666 1.00 0.30 N ATOM 801 CA LYS A 138 5.714 -3.507 13.881 1.00 0.30 C ATOM 802 C LYS A 138 4.634 -4.021 12.985 1.00 0.27 C ATOM 803 O LYS A 138 3.597 -4.517 13.433 1.00 0.28 O ATOM 804 CB LYS A 138 6.208 -4.598 14.773 1.00 0.35 C ATOM 805 CG LYS A 138 5.184 -4.995 15.786 1.00 0.37 C ATOM 806 CD LYS A 138 5.629 -6.203 16.581 1.00 0.43 C ATOM 807 CE LYS A 138 5.912 -7.372 15.656 1.00 0.44 C ATOM 808 NZ LYS A 138 6.364 -8.579 16.398 1.00 0.51 N ATOM 0 H LYS A 138 4.183 -2.440 14.771 1.00 0.30 H new ATOM 0 HA LYS A 138 6.548 -3.152 13.276 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.478 -5.465 14.171 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.114 -4.269 15.282 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.998 -4.161 16.463 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.241 -5.215 15.285 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.524 -5.960 17.154 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.856 -6.478 17.299 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.012 -7.611 15.090 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.676 -7.085 14.933 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.545 -9.352 15.726 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.238 -8.360 16.918 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.625 -8.870 17.070 1.00 0.51 H new ATOM 822 N MET A 139 4.856 -3.870 11.723 1.00 0.25 N ATOM 823 CA MET A 139 3.813 -4.081 10.782 1.00 0.25 C ATOM 824 C MET A 139 3.584 -5.555 10.553 1.00 0.26 C ATOM 825 O MET A 139 4.381 -6.277 9.953 1.00 0.30 O ATOM 826 CB MET A 139 4.126 -3.326 9.505 1.00 0.33 C ATOM 827 CG MET A 139 5.068 -4.041 8.564 1.00 0.70 C ATOM 828 SD MET A 139 4.235 -4.902 7.227 1.00 2.16 S ATOM 829 CE MET A 139 3.365 -3.551 6.467 1.00 2.71 C ATOM 0 H MET A 139 5.753 -3.600 11.320 1.00 0.25 H new ATOM 0 HA MET A 139 2.875 -3.689 11.176 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.192 -3.125 8.980 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.559 -2.360 9.767 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.764 -3.317 8.140 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.661 -4.758 9.132 1.00 0.70 H new ATOM 0 HE1 MET A 139 3.464 -3.618 5.384 1.00 2.71 H new ATOM 0 HE2 MET A 139 2.310 -3.599 6.738 1.00 2.71 H new ATOM 0 HE3 MET A 139 3.786 -2.607 6.812 1.00 2.71 H new ATOM 839 N THR A 140 2.537 -6.014 11.159 1.00 0.25 N ATOM 840 CA THR A 140 1.914 -7.221 10.727 1.00 0.26 C ATOM 841 C THR A 140 0.503 -7.241 11.218 1.00 0.27 C ATOM 842 O THR A 140 0.188 -7.776 12.278 1.00 0.30 O ATOM 843 CB THR A 140 2.705 -8.415 11.269 1.00 0.31 C ATOM 844 OG1 THR A 140 2.026 -9.653 11.015 1.00 0.35 O ATOM 845 CG2 THR A 140 2.973 -8.233 12.759 1.00 0.34 C ATOM 0 H THR A 140 2.093 -5.566 11.961 1.00 0.25 H new ATOM 0 HA THR A 140 1.904 -7.280 9.639 1.00 0.26 H new ATOM 0 HB THR A 140 3.660 -8.457 10.745 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.556 -10.396 11.371 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.536 -9.088 13.134 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.549 -7.321 12.916 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.025 -8.160 13.293 1.00 0.34 H new ATOM 853 N ARG A 141 -0.357 -6.746 10.368 1.00 0.25 N ATOM 854 CA ARG A 141 -1.773 -6.775 10.583 1.00 0.28 C ATOM 855 C ARG A 141 -2.422 -6.778 9.227 1.00 0.30 C ATOM 856 O ARG A 141 -1.858 -6.207 8.298 1.00 0.45 O ATOM 857 CB ARG A 141 -2.236 -5.543 11.368 1.00 0.30 C ATOM 858 CG ARG A 141 -1.240 -5.056 12.399 1.00 0.38 C ATOM 859 CD ARG A 141 -1.292 -5.937 13.612 1.00 1.01 C ATOM 860 NE ARG A 141 -0.605 -5.360 14.767 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.011 -6.084 15.716 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.013 -7.412 15.640 1.00 2.38 N ATOM 863 NH2 ARG A 141 0.585 -5.486 16.740 1.00 1.97 N ATOM 0 H ARG A 141 -0.084 -6.303 9.491 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.046 -7.657 11.162 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.441 -4.734 10.666 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.176 -5.777 11.868 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.235 -5.061 11.978 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.464 -4.026 12.676 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.333 -6.126 13.873 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.843 -6.901 13.374 1.00 1.01 H new ATOM 0 HE ARG A 141 -0.579 -4.344 14.851 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.469 -7.877 14.855 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.442 -7.965 16.366 1.00 2.38 H new ATOM 0 HH21 ARG A 141 0.590 -4.468 16.804 1.00 1.97 H new ATOM 0 HH22 ARG A 141 1.038 -6.044 17.463 1.00 1.97 H new ATOM 877 N PRO A 142 -3.588 -7.379 9.042 1.00 0.36 N ATOM 878 CA PRO A 142 -4.295 -7.166 7.803 1.00 0.39 C ATOM 879 C PRO A 142 -4.770 -5.725 7.722 1.00 0.32 C ATOM 880 O PRO A 142 -5.660 -5.305 8.466 1.00 0.37 O ATOM 881 CB PRO A 142 -5.482 -8.129 7.876 1.00 0.53 C ATOM 882 CG PRO A 142 -5.174 -9.063 9.006 1.00 0.79 C ATOM 883 CD PRO A 142 -4.278 -8.304 9.947 1.00 0.55 C ATOM 0 HA PRO A 142 -3.678 -7.343 6.922 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.413 -7.591 8.055 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.603 -8.673 6.939 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.088 -9.380 9.509 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -4.682 -9.965 8.642 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.846 -7.776 10.713 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -3.581 -8.963 10.465 1.00 0.55 H new ATOM 891 N GLY A 143 -4.165 -4.972 6.822 1.00 0.27 N ATOM 892 CA GLY A 143 -4.620 -3.616 6.568 1.00 0.27 C ATOM 893 C GLY A 143 -4.089 -2.581 7.558 1.00 0.26 C ATOM 894 O GLY A 143 -4.683 -1.516 7.712 1.00 0.38 O ATOM 0 H GLY A 143 -3.367 -5.270 6.261 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.319 -3.327 5.561 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.710 -3.600 6.592 1.00 0.27 H new ATOM 898 N GLU A 144 -2.977 -2.880 8.225 1.00 0.17 N ATOM 899 CA GLU A 144 -2.300 -1.894 9.078 1.00 0.14 C ATOM 900 C GLU A 144 -0.818 -2.035 8.851 1.00 0.11 C ATOM 901 O GLU A 144 -0.288 -3.146 8.886 1.00 0.12 O ATOM 902 CB GLU A 144 -2.606 -2.091 10.562 1.00 0.18 C ATOM 903 CG GLU A 144 -4.089 -2.158 10.891 1.00 0.40 C ATOM 904 CD GLU A 144 -4.358 -2.130 12.381 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.940 -1.136 12.867 1.00 1.49 O ATOM 906 OE2 GLU A 144 -3.993 -3.099 13.075 1.00 1.44 O ATOM 0 H GLU A 144 -2.523 -3.793 8.195 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.659 -0.900 8.811 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.129 -3.011 10.901 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.157 -1.273 11.125 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.600 -1.320 10.418 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.510 -3.069 10.467 1.00 0.40 H new ATOM 913 N PHE A 145 -0.136 -0.928 8.630 1.00 0.10 N ATOM 914 CA PHE A 145 1.216 -1.012 8.111 1.00 0.10 C ATOM 915 C PHE A 145 2.152 -0.116 8.904 1.00 0.09 C ATOM 916 O PHE A 145 1.711 0.610 9.778 1.00 0.10 O ATOM 917 CB PHE A 145 1.274 -0.635 6.620 1.00 0.16 C ATOM 918 CG PHE A 145 0.129 -1.099 5.734 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.497 -2.310 5.978 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.335 -0.332 4.685 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.551 -2.742 5.199 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.386 -0.759 3.897 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.940 -1.933 4.069 1.00 0.27 C ATOM 0 H PHE A 145 -0.483 0.017 8.796 1.00 0.10 H new ATOM 0 HA PHE A 145 1.539 -2.048 8.214 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.335 0.451 6.550 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.201 -1.034 6.208 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.154 -2.928 6.794 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.132 0.619 4.476 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.071 -3.660 5.429 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.760 -0.109 3.120 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.682 -2.293 3.371 1.00 0.27 H new ATOM 933 N THR A 146 3.441 -0.145 8.597 1.00 0.09 N ATOM 934 CA THR A 146 4.387 0.672 9.328 1.00 0.12 C ATOM 935 C THR A 146 4.976 1.758 8.470 1.00 0.12 C ATOM 936 O THR A 146 5.302 1.558 7.300 1.00 0.15 O ATOM 937 CB THR A 146 5.538 -0.141 9.918 1.00 0.15 C ATOM 938 OG1 THR A 146 6.032 -1.076 8.958 1.00 0.16 O ATOM 939 CG2 THR A 146 5.115 -0.849 11.177 1.00 0.19 C ATOM 0 H THR A 146 3.847 -0.718 7.857 1.00 0.09 H new ATOM 0 HA THR A 146 3.808 1.113 10.139 1.00 0.12 H new ATOM 0 HB THR A 146 6.340 0.550 10.177 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.770 -1.588 9.350 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.955 -1.419 11.574 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.793 -0.116 11.916 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.290 -1.526 10.954 1.00 0.19 H new ATOM 947 N VAL A 147 5.104 2.904 9.082 1.00 0.14 N ATOM 948 CA VAL A 147 5.614 4.086 8.421 1.00 0.15 C ATOM 949 C VAL A 147 7.087 4.317 8.760 1.00 0.23 C ATOM 950 O VAL A 147 7.505 4.112 9.901 1.00 0.29 O ATOM 951 CB VAL A 147 4.777 5.303 8.838 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.433 6.602 8.399 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.386 5.197 8.257 1.00 0.73 C ATOM 0 H VAL A 147 4.857 3.050 10.061 1.00 0.14 H new ATOM 0 HA VAL A 147 5.540 3.942 7.343 1.00 0.15 H new ATOM 0 HB VAL A 147 4.712 5.313 9.926 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.815 7.445 8.710 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.418 6.686 8.858 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.537 6.609 7.314 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.799 6.065 8.558 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.448 5.160 7.169 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.907 4.290 8.624 1.00 0.73 H new ATOM 963 N GLN A 148 7.872 4.721 7.761 1.00 0.37 N ATOM 964 CA GLN A 148 9.291 5.003 7.963 1.00 0.51 C ATOM 965 C GLN A 148 9.634 6.429 7.513 1.00 0.58 C ATOM 966 O GLN A 148 9.462 7.382 8.273 1.00 1.16 O ATOM 967 CB GLN A 148 10.155 3.990 7.210 1.00 0.57 C ATOM 968 CG GLN A 148 9.853 2.540 7.546 1.00 1.20 C ATOM 969 CD GLN A 148 10.494 1.575 6.569 1.00 1.71 C ATOM 970 OE1 GLN A 148 11.548 1.857 5.996 1.00 2.45 O ATOM 971 NE2 GLN A 148 9.865 0.428 6.370 1.00 2.15 N ATOM 0 H GLN A 148 7.548 4.860 6.804 1.00 0.37 H new ATOM 0 HA GLN A 148 9.502 4.917 9.029 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.019 4.139 6.139 1.00 0.57 H new ATOM 0 HB3 GLN A 148 11.204 4.191 7.429 1.00 0.57 H new ATOM 0 HG2 GLN A 148 10.208 2.322 8.553 1.00 1.20 H new ATOM 0 HG3 GLN A 148 8.774 2.388 7.548 1.00 1.20 H new ATOM 0 HE21 GLN A 148 8.994 0.232 6.864 1.00 2.15 H new ATOM 0 HE22 GLN A 148 10.251 -0.260 5.723 1.00 2.15 H new ATOM 980 N ALA A 149 10.095 6.577 6.270 1.00 0.40 N ATOM 981 CA ALA A 149 10.473 7.887 5.740 1.00 0.39 C ATOM 982 C ALA A 149 10.464 7.888 4.212 1.00 0.31 C ATOM 983 O ALA A 149 9.525 8.379 3.590 1.00 0.37 O ATOM 984 CB ALA A 149 11.844 8.302 6.266 1.00 0.49 C ATOM 0 H ALA A 149 10.215 5.807 5.613 1.00 0.40 H new ATOM 0 HA ALA A 149 9.734 8.612 6.081 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.109 9.279 5.861 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.815 8.356 7.354 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.589 7.568 5.959 1.00 0.49 H new ATOM 990 N ASN A 150 11.507 7.321 3.613 1.00 0.26 N ATOM 991 CA ASN A 150 11.589 7.190 2.156 1.00 0.24 C ATOM 992 C ASN A 150 10.900 5.940 1.724 1.00 0.19 C ATOM 993 O ASN A 150 10.840 5.627 0.544 1.00 0.20 O ATOM 994 CB ASN A 150 13.017 7.062 1.680 1.00 0.28 C ATOM 995 CG ASN A 150 13.877 8.260 2.015 1.00 0.39 C ATOM 996 OD1 ASN A 150 14.512 8.301 3.068 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.901 9.242 1.129 1.00 1.00 N ATOM 0 H ASN A 150 12.311 6.943 4.113 1.00 0.26 H new ATOM 0 HA ASN A 150 11.130 8.086 1.737 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.461 6.171 2.124 1.00 0.28 H new ATOM 0 HB3 ASN A 150 13.019 6.914 0.600 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.462 10.075 1.306 1.00 1.00 H new ATOM 0 HD22 ASN A 150 13.359 9.166 0.268 1.00 1.00 H new ATOM 1004 N SER A 151 10.453 5.179 2.681 1.00 0.17 N ATOM 1005 CA SER A 151 9.712 3.994 2.376 1.00 0.20 C ATOM 1006 C SER A 151 8.644 3.767 3.433 1.00 0.20 C ATOM 1007 O SER A 151 8.823 4.119 4.596 1.00 0.27 O ATOM 1008 CB SER A 151 10.647 2.780 2.326 1.00 0.27 C ATOM 1009 OG SER A 151 11.820 3.058 1.581 1.00 0.94 O ATOM 0 H SER A 151 10.589 5.359 3.676 1.00 0.17 H new ATOM 0 HA SER A 151 9.239 4.119 1.402 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.920 2.487 3.340 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.123 1.934 1.880 1.00 0.27 H new ATOM 0 HG SER A 151 12.055 2.277 1.037 1.00 0.94 H new ATOM 1015 N ILE A 152 7.529 3.226 3.012 1.00 0.18 N ATOM 1016 CA ILE A 152 6.540 2.710 3.917 1.00 0.17 C ATOM 1017 C ILE A 152 6.612 1.204 3.850 1.00 0.17 C ATOM 1018 O ILE A 152 7.240 0.646 2.953 1.00 0.19 O ATOM 1019 CB ILE A 152 5.132 3.207 3.537 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.873 4.550 4.208 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.040 2.211 3.906 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.527 5.106 3.883 1.00 0.20 C ATOM 0 H ILE A 152 7.283 3.132 2.027 1.00 0.18 H new ATOM 0 HA ILE A 152 6.736 3.058 4.931 1.00 0.17 H new ATOM 0 HB ILE A 152 5.100 3.318 2.453 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.963 4.435 5.288 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.640 5.260 3.898 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.069 2.612 3.616 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.215 1.270 3.384 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.054 2.038 4.982 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.397 6.063 4.388 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.443 5.250 2.806 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.756 4.412 4.218 1.00 0.20 H new ATOM 1034 N GLU A 153 6.007 0.545 4.784 1.00 0.16 N ATOM 1035 CA GLU A 153 5.848 -0.862 4.672 1.00 0.14 C ATOM 1036 C GLU A 153 4.372 -1.138 4.574 1.00 0.23 C ATOM 1037 O GLU A 153 3.630 -0.621 5.381 1.00 0.56 O ATOM 1038 CB GLU A 153 6.427 -1.541 5.881 1.00 0.18 C ATOM 1039 CG GLU A 153 6.895 -2.932 5.576 1.00 0.27 C ATOM 1040 CD GLU A 153 7.937 -3.404 6.572 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.643 -4.332 7.355 1.00 0.97 O ATOM 1042 OE2 GLU A 153 9.063 -2.875 6.569 1.00 0.72 O ATOM 0 H GLU A 153 5.617 0.960 5.630 1.00 0.16 H new ATOM 0 HA GLU A 153 6.367 -1.244 3.793 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.262 -0.953 6.261 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.677 -1.576 6.671 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.044 -3.613 5.589 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.313 -2.963 4.570 1.00 0.27 H new ATOM 1049 N MET A 154 3.936 -1.903 3.591 1.00 0.13 N ATOM 1050 CA MET A 154 2.506 -2.166 3.420 1.00 0.13 C ATOM 1051 C MET A 154 2.202 -3.656 3.270 1.00 0.15 C ATOM 1052 O MET A 154 2.779 -4.331 2.427 1.00 0.18 O ATOM 1053 CB MET A 154 1.983 -1.358 2.214 1.00 0.19 C ATOM 1054 CG MET A 154 0.849 -2.015 1.434 1.00 0.94 C ATOM 1055 SD MET A 154 1.445 -3.084 0.104 1.00 0.73 S ATOM 1056 CE MET A 154 -0.100 -3.720 -0.536 1.00 1.32 C ATOM 0 H MET A 154 4.538 -2.352 2.901 1.00 0.13 H new ATOM 0 HA MET A 154 1.987 -1.844 4.323 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.642 -0.385 2.569 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.813 -1.175 1.532 1.00 0.19 H new ATOM 0 HG2 MET A 154 0.235 -2.601 2.118 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.207 -1.241 1.013 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.009 -4.781 -0.763 1.00 1.32 H new ATOM 0 HE2 MET A 154 -0.885 -3.587 0.209 1.00 1.32 H new ATOM 0 HE3 MET A 154 -0.367 -3.180 -1.445 1.00 1.32 H new ATOM 1066 N ILE A 155 1.313 -4.178 4.124 1.00 0.16 N ATOM 1067 CA ILE A 155 0.850 -5.545 3.986 1.00 0.19 C ATOM 1068 C ILE A 155 -0.001 -5.686 2.736 1.00 0.27 C ATOM 1069 O ILE A 155 -0.853 -4.844 2.454 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.002 -6.041 5.178 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.348 -5.293 6.473 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.198 -7.547 5.344 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.217 -6.051 7.442 1.00 0.24 C ATOM 0 H ILE A 155 0.908 -3.670 4.910 1.00 0.16 H new ATOM 0 HA ILE A 155 1.755 -6.150 3.937 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.052 -5.836 4.969 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.852 -4.363 6.210 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.579 -5.022 6.978 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.400 -7.903 6.183 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.114 -8.058 4.433 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.251 -7.755 5.535 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.405 -5.435 8.321 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.711 -6.969 7.743 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.165 -6.299 6.964 1.00 0.24 H new ATOM 1297 N VAL A 169 0.658 -11.294 3.837 1.00 0.38 N ATOM 1298 CA VAL A 169 2.002 -11.019 3.376 1.00 0.32 C ATOM 1299 C VAL A 169 2.207 -9.540 3.346 1.00 0.26 C ATOM 1300 O VAL A 169 1.293 -8.808 3.034 1.00 0.29 O ATOM 1301 CB VAL A 169 2.218 -11.497 1.956 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.521 -10.927 1.435 1.00 0.36 C ATOM 1303 CG2 VAL A 169 2.190 -13.010 1.905 1.00 0.48 C ATOM 0 HA VAL A 169 2.687 -11.531 4.052 1.00 0.32 H new ATOM 0 HB VAL A 169 1.413 -11.144 1.311 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.684 -11.267 0.412 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.475 -9.838 1.452 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.344 -11.265 2.065 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.346 -13.342 0.879 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.980 -13.410 2.540 1.00 0.48 H new ATOM 0 HG23 VAL A 169 1.223 -13.368 2.259 1.00 0.48 H new ATOM 1313 N ARG A 170 3.406 -9.105 3.594 1.00 0.23 N ATOM 1314 CA ARG A 170 3.674 -7.701 3.594 1.00 0.20 C ATOM 1315 C ARG A 170 4.778 -7.310 2.658 1.00 0.19 C ATOM 1316 O ARG A 170 5.724 -8.058 2.401 1.00 0.25 O ATOM 1317 CB ARG A 170 3.917 -7.222 4.993 1.00 0.26 C ATOM 1318 CG ARG A 170 4.802 -8.152 5.776 1.00 0.23 C ATOM 1319 CD ARG A 170 6.271 -8.012 5.421 1.00 0.39 C ATOM 1320 NE ARG A 170 6.990 -7.132 6.339 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.046 -7.512 7.062 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.466 -8.772 7.033 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.673 -6.632 7.821 1.00 1.61 N ATOM 0 H ARG A 170 4.209 -9.699 3.798 1.00 0.23 H new ATOM 0 HA ARG A 170 2.787 -7.199 3.208 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.374 -6.233 4.960 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.962 -7.115 5.508 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.671 -7.959 6.841 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.487 -9.180 5.598 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.738 -8.997 5.427 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.360 -7.624 4.407 1.00 0.39 H new ATOM 0 HE ARG A 170 6.666 -6.170 6.433 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.981 -9.458 6.455 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.274 -9.053 7.589 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.350 -5.665 7.854 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.480 -6.919 8.375 1.00 1.61 H new ATOM 1337 N ALA A 171 4.594 -6.144 2.111 1.00 0.17 N ATOM 1338 CA ALA A 171 5.507 -5.582 1.164 1.00 0.16 C ATOM 1339 C ALA A 171 6.193 -4.360 1.738 1.00 0.16 C ATOM 1340 O ALA A 171 5.778 -3.825 2.761 1.00 0.20 O ATOM 1341 CB ALA A 171 4.763 -5.218 -0.107 1.00 0.16 C ATOM 0 H ALA A 171 3.791 -5.548 2.315 1.00 0.17 H new ATOM 0 HA ALA A 171 6.273 -6.323 0.934 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.461 -4.790 -0.827 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.307 -6.113 -0.531 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.986 -4.489 0.122 1.00 0.16 H new ATOM 1347 N ARG A 172 7.230 -3.915 1.059 1.00 0.16 N ATOM 1348 CA ARG A 172 7.932 -2.724 1.453 1.00 0.18 C ATOM 1349 C ARG A 172 7.800 -1.739 0.340 1.00 0.18 C ATOM 1350 O ARG A 172 8.357 -1.900 -0.746 1.00 0.22 O ATOM 1351 CB ARG A 172 9.402 -2.956 1.792 1.00 0.24 C ATOM 1352 CG ARG A 172 10.167 -1.649 1.953 1.00 0.79 C ATOM 1353 CD ARG A 172 11.630 -1.862 2.292 1.00 1.08 C ATOM 1354 NE ARG A 172 12.363 -0.594 2.272 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.460 -0.349 2.988 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.951 -1.273 3.804 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.060 0.832 2.888 1.00 3.69 N ATOM 0 H ARG A 172 7.603 -4.369 0.225 1.00 0.16 H new ATOM 0 HA ARG A 172 7.485 -2.354 2.376 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.474 -3.533 2.714 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.865 -3.552 1.006 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.093 -1.074 1.030 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.700 -1.054 2.738 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.716 -2.320 3.277 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.075 -2.555 1.578 1.00 1.08 H new ATOM 0 HE ARG A 172 12.011 0.151 1.670 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.488 -2.178 3.887 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.791 -1.078 4.349 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.681 1.546 2.266 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.900 1.025 3.434 1.00 3.69 H new ATOM 1371 N LEU A 173 7.034 -0.743 0.623 1.00 0.20 N ATOM 1372 CA LEU A 173 6.610 0.194 -0.354 1.00 0.24 C ATOM 1373 C LEU A 173 7.465 1.454 -0.262 1.00 0.25 C ATOM 1374 O LEU A 173 7.408 2.195 0.702 1.00 0.48 O ATOM 1375 CB LEU A 173 5.140 0.444 -0.100 1.00 0.37 C ATOM 1376 CG LEU A 173 4.733 1.875 -0.161 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.512 2.306 -1.580 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.540 2.102 0.740 1.00 0.54 C ATOM 0 H LEU A 173 6.678 -0.555 1.560 1.00 0.20 H new ATOM 0 HA LEU A 173 6.735 -0.173 -1.373 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.558 -0.117 -0.832 1.00 0.37 H new ATOM 0 HB3 LEU A 173 4.883 0.049 0.883 1.00 0.37 H new ATOM 0 HG LEU A 173 5.536 2.509 0.214 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.215 3.355 -1.600 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.434 2.179 -2.147 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.725 1.698 -2.027 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.244 3.150 0.694 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.711 1.476 0.411 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.804 1.844 1.766 1.00 0.54 H new ATOM 1390 N THR A 174 8.257 1.686 -1.273 1.00 0.17 N ATOM 1391 CA THR A 174 9.291 2.689 -1.204 1.00 0.15 C ATOM 1392 C THR A 174 8.986 3.891 -2.055 1.00 0.13 C ATOM 1393 O THR A 174 8.308 3.795 -3.071 1.00 0.12 O ATOM 1394 CB THR A 174 10.635 2.092 -1.612 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.010 1.049 -0.702 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.682 3.174 -1.642 1.00 0.20 C ATOM 0 H THR A 174 8.207 1.190 -2.163 1.00 0.17 H new ATOM 0 HA THR A 174 9.337 3.027 -0.169 1.00 0.15 H new ATOM 0 HB THR A 174 10.549 1.660 -2.609 1.00 0.18 H new ATOM 0 HG1 THR A 174 11.873 0.672 -0.974 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.641 2.745 -1.934 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.393 3.940 -2.362 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.771 3.622 -0.652 1.00 0.20 H new ATOM 1404 N PHE A 175 9.498 5.022 -1.606 1.00 0.16 N ATOM 1405 CA PHE A 175 9.307 6.277 -2.261 1.00 0.17 C ATOM 1406 C PHE A 175 10.620 6.846 -2.795 1.00 0.19 C ATOM 1407 O PHE A 175 11.501 7.209 -2.021 1.00 0.32 O ATOM 1408 CB PHE A 175 8.742 7.256 -1.265 1.00 0.30 C ATOM 1409 CG PHE A 175 7.717 6.665 -0.367 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.514 6.238 -0.877 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.949 6.552 0.985 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.560 5.706 -0.049 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.001 6.023 1.818 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.830 5.537 1.291 1.00 0.15 C ATOM 0 H PHE A 175 10.066 5.082 -0.761 1.00 0.16 H new ATOM 0 HA PHE A 175 8.632 6.120 -3.102 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.556 7.657 -0.660 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.301 8.095 -1.803 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.319 6.322 -1.936 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.892 6.885 1.394 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.598 5.420 -0.447 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.173 5.988 2.884 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.123 5.024 1.925 1.00 0.15 H new ATOM 1424 N ASP A 176 10.732 6.950 -4.106 1.00 0.16 N ATOM 1425 CA ASP A 176 11.925 7.524 -4.734 1.00 0.20 C ATOM 1426 C ASP A 176 11.680 8.975 -5.130 1.00 0.19 C ATOM 1427 O ASP A 176 11.112 9.257 -6.183 1.00 0.20 O ATOM 1428 CB ASP A 176 12.332 6.721 -5.976 1.00 0.29 C ATOM 1429 CG ASP A 176 13.550 7.300 -6.676 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.377 8.089 -7.630 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.687 6.977 -6.272 1.00 0.68 O ATOM 0 H ASP A 176 10.015 6.646 -4.764 1.00 0.16 H new ATOM 0 HA ASP A 176 12.733 7.482 -4.004 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.540 5.691 -5.686 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.496 6.692 -6.675 1.00 0.29 H new ATOM 1436 N GLY A 177 12.086 9.893 -4.277 1.00 0.21 N ATOM 1437 CA GLY A 177 11.989 11.300 -4.616 1.00 0.23 C ATOM 1438 C GLY A 177 10.624 11.890 -4.354 1.00 0.23 C ATOM 1439 O GLY A 177 10.166 11.957 -3.215 1.00 0.27 O ATOM 0 H GLY A 177 12.481 9.696 -3.357 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.732 11.855 -4.044 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.236 11.430 -5.670 1.00 0.23 H new ATOM 1443 N ASP A 178 9.976 12.304 -5.430 1.00 0.22 N ATOM 1444 CA ASP A 178 8.669 12.934 -5.359 1.00 0.26 C ATOM 1445 C ASP A 178 7.699 11.973 -5.950 1.00 0.23 C ATOM 1446 O ASP A 178 6.550 12.304 -6.216 1.00 0.25 O ATOM 1447 CB ASP A 178 8.626 14.213 -6.182 1.00 0.34 C ATOM 1448 CG ASP A 178 7.681 15.251 -5.615 1.00 1.10 C ATOM 1449 OD1 ASP A 178 8.063 15.948 -4.653 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.540 15.357 -6.116 1.00 1.34 O ATOM 0 H ASP A 178 10.342 12.213 -6.378 1.00 0.22 H new ATOM 0 HA ASP A 178 8.439 13.185 -4.324 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.629 14.636 -6.239 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.323 13.973 -7.201 1.00 0.34 H new ATOM 1455 N HIS A 179 8.190 10.767 -6.157 1.00 0.19 N ATOM 1456 CA HIS A 179 7.401 9.719 -6.729 1.00 0.17 C ATOM 1457 C HIS A 179 7.686 8.386 -6.075 1.00 0.13 C ATOM 1458 O HIS A 179 8.699 8.204 -5.414 1.00 0.13 O ATOM 1459 CB HIS A 179 7.663 9.647 -8.233 1.00 0.22 C ATOM 1460 CG HIS A 179 9.036 9.187 -8.634 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.359 7.864 -8.838 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.162 9.889 -8.899 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.621 7.772 -9.206 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.133 8.987 -9.252 1.00 0.45 N ATOM 0 H HIS A 179 9.147 10.496 -5.930 1.00 0.19 H new ATOM 0 HA HIS A 179 6.349 9.946 -6.554 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.930 8.975 -8.679 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.491 10.635 -8.661 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.720 7.077 -8.722 1.00 1.28 H new ATOM 0 HD2 HIS A 179 10.275 10.962 -8.843 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.147 6.856 -9.432 1.00 1.05 H new ATOM 1473 N LEU A 180 6.761 7.464 -6.249 1.00 0.13 N ATOM 1474 CA LEU A 180 6.917 6.121 -5.707 1.00 0.12 C ATOM 1475 C LEU A 180 8.068 5.398 -6.342 1.00 0.14 C ATOM 1476 O LEU A 180 8.355 5.552 -7.531 1.00 0.22 O ATOM 1477 CB LEU A 180 5.654 5.312 -5.920 1.00 0.17 C ATOM 1478 CG LEU A 180 5.380 4.271 -4.854 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.606 4.890 -3.498 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.958 3.771 -4.960 1.00 0.20 C ATOM 0 H LEU A 180 5.892 7.616 -6.761 1.00 0.13 H new ATOM 0 HA LEU A 180 7.115 6.228 -4.640 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.806 5.995 -5.968 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.717 4.814 -6.887 1.00 0.17 H new ATOM 0 HG LEU A 180 6.053 3.425 -4.993 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.411 4.149 -2.723 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.638 5.232 -3.422 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.932 5.737 -3.368 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.777 3.024 -4.188 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.268 4.605 -4.828 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.802 3.323 -5.942 1.00 0.20 H new ATOM 1492 N ALA A 181 8.724 4.607 -5.524 1.00 0.12 N ATOM 1493 CA ALA A 181 9.842 3.841 -5.956 1.00 0.13 C ATOM 1494 C ALA A 181 9.430 2.437 -6.372 1.00 0.14 C ATOM 1495 O ALA A 181 9.785 1.964 -7.451 1.00 0.15 O ATOM 1496 CB ALA A 181 10.830 3.782 -4.828 1.00 0.13 C ATOM 0 H ALA A 181 8.487 4.485 -4.540 1.00 0.12 H new ATOM 0 HA ALA A 181 10.288 4.315 -6.831 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.698 3.199 -5.135 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.145 4.792 -4.567 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.365 3.312 -3.961 1.00 0.13 H new ATOM 1502 N THR A 182 8.685 1.782 -5.495 1.00 0.15 N ATOM 1503 CA THR A 182 8.266 0.406 -5.697 1.00 0.18 C ATOM 1504 C THR A 182 7.532 -0.082 -4.473 1.00 0.17 C ATOM 1505 O THR A 182 7.399 0.632 -3.484 1.00 0.16 O ATOM 1506 CB THR A 182 9.466 -0.524 -5.922 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.038 -1.782 -6.462 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.172 -0.751 -4.603 1.00 0.24 C ATOM 0 H THR A 182 8.354 2.192 -4.622 1.00 0.15 H new ATOM 0 HA THR A 182 7.626 0.386 -6.579 1.00 0.18 H new ATOM 0 HB THR A 182 10.147 -0.057 -6.634 1.00 0.22 H new ATOM 0 HG1 THR A 182 9.817 -2.361 -6.600 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.026 -1.411 -4.756 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.518 0.204 -4.206 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.482 -1.209 -3.895 1.00 0.24 H new ATOM 1516 N ILE A 183 7.075 -1.305 -4.562 1.00 0.20 N ATOM 1517 CA ILE A 183 6.440 -1.997 -3.478 1.00 0.18 C ATOM 1518 C ILE A 183 6.824 -3.456 -3.603 1.00 0.20 C ATOM 1519 O ILE A 183 6.716 -4.033 -4.683 1.00 0.28 O ATOM 1520 CB ILE A 183 4.924 -1.851 -3.539 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.553 -0.422 -3.226 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.268 -2.798 -2.561 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.254 0.426 -4.429 1.00 0.20 C ATOM 0 H ILE A 183 7.138 -1.859 -5.416 1.00 0.20 H new ATOM 0 HA ILE A 183 6.764 -1.579 -2.525 1.00 0.18 H new ATOM 0 HB ILE A 183 4.572 -2.102 -4.540 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.681 -0.422 -2.572 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.369 0.037 -2.668 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.185 -2.684 -2.614 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.537 -3.824 -2.812 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.607 -2.570 -1.551 1.00 0.19 H new ATOM 0 HD11 ILE A 183 3.998 1.436 -4.108 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.131 0.463 -5.075 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.416 -0.004 -4.978 1.00 0.20 H new ATOM 1535 N VAL A 184 7.305 -4.044 -2.535 1.00 0.21 N ATOM 1536 CA VAL A 184 7.908 -5.358 -2.633 1.00 0.24 C ATOM 1537 C VAL A 184 7.417 -6.302 -1.569 1.00 0.23 C ATOM 1538 O VAL A 184 7.686 -6.071 -0.402 1.00 0.22 O ATOM 1539 CB VAL A 184 9.419 -5.254 -2.468 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.033 -6.632 -2.561 1.00 0.33 C ATOM 1541 CG2 VAL A 184 9.993 -4.312 -3.501 1.00 0.34 C ATOM 0 H VAL A 184 7.293 -3.643 -1.597 1.00 0.21 H new ATOM 0 HA VAL A 184 7.631 -5.744 -3.614 1.00 0.24 H new ATOM 0 HB VAL A 184 9.656 -4.844 -1.486 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.114 -6.557 -2.443 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.625 -7.266 -1.774 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.803 -7.068 -3.533 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.073 -4.246 -3.373 1.00 0.34 H new ATOM 0 HG22 VAL A 184 9.768 -4.686 -4.500 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.552 -3.323 -3.377 1.00 0.34 H new ATOM 1551 N ASN A 185 6.746 -7.381 -1.962 1.00 0.29 N ATOM 1552 CA ASN A 185 6.411 -8.429 -1.007 1.00 0.32 C ATOM 1553 C ASN A 185 7.695 -8.982 -0.447 1.00 0.33 C ATOM 1554 O ASN A 185 8.349 -9.839 -1.030 1.00 0.40 O ATOM 1555 CB ASN A 185 5.560 -9.535 -1.638 1.00 0.44 C ATOM 1556 CG ASN A 185 4.136 -9.095 -1.941 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.510 -9.586 -2.878 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.605 -8.180 -1.142 1.00 1.57 N ATOM 0 H ASN A 185 6.429 -7.550 -2.917 1.00 0.29 H new ATOM 0 HA ASN A 185 5.805 -8.004 -0.207 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.035 -9.868 -2.561 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.533 -10.393 -0.966 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.648 -7.862 -1.296 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.153 -7.794 -0.374 1.00 1.57 H new ATOM 1565 N MET A 186 7.998 -8.451 0.715 1.00 0.31 N ATOM 1566 CA MET A 186 9.281 -8.542 1.379 1.00 0.36 C ATOM 1567 C MET A 186 9.726 -9.945 1.591 1.00 0.43 C ATOM 1568 O MET A 186 10.915 -10.221 1.744 1.00 0.53 O ATOM 1569 CB MET A 186 9.147 -7.833 2.707 1.00 0.36 C ATOM 1570 CG MET A 186 8.976 -6.339 2.574 1.00 0.34 C ATOM 1571 SD MET A 186 9.025 -5.487 4.161 1.00 0.94 S ATOM 1572 CE MET A 186 10.698 -5.844 4.696 1.00 1.42 C ATOM 0 H MET A 186 7.319 -7.914 1.254 1.00 0.31 H new ATOM 0 HA MET A 186 10.040 -8.080 0.747 1.00 0.36 H new ATOM 0 HB2 MET A 186 8.292 -8.243 3.245 1.00 0.36 H new ATOM 0 HB3 MET A 186 10.031 -8.038 3.311 1.00 0.36 H new ATOM 0 HG2 MET A 186 9.762 -5.944 1.930 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.026 -6.129 2.083 1.00 0.34 H new ATOM 0 HE1 MET A 186 11.140 -4.948 5.132 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.680 -6.639 5.441 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.293 -6.162 3.840 1.00 1.42 H new ATOM 1582 N GLU A 187 8.773 -10.820 1.596 1.00 0.43 N ATOM 1583 CA GLU A 187 9.031 -12.184 1.848 1.00 0.51 C ATOM 1584 C GLU A 187 9.854 -12.784 0.735 1.00 0.59 C ATOM 1585 O GLU A 187 10.811 -13.528 0.959 1.00 0.68 O ATOM 1586 CB GLU A 187 7.712 -12.886 1.982 1.00 0.50 C ATOM 1587 CG GLU A 187 6.685 -12.022 2.683 1.00 0.42 C ATOM 1588 CD GLU A 187 5.782 -12.798 3.622 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.451 -12.274 4.706 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.406 -13.941 3.279 1.00 0.67 O ATOM 0 H GLU A 187 7.792 -10.599 1.424 1.00 0.43 H new ATOM 0 HA GLU A 187 9.605 -12.296 2.768 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.343 -13.159 0.993 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.848 -13.813 2.539 1.00 0.50 H new ATOM 0 HG2 GLU A 187 7.200 -11.244 3.247 1.00 0.42 H new ATOM 0 HG3 GLU A 187 6.072 -11.520 1.934 1.00 0.42 H new ATOM 1597 N ASN A 188 9.467 -12.437 -0.462 1.00 0.58 N ATOM 1598 CA ASN A 188 10.195 -12.857 -1.645 1.00 0.67 C ATOM 1599 C ASN A 188 11.122 -11.756 -2.127 1.00 0.64 C ATOM 1600 O ASN A 188 12.196 -12.040 -2.656 1.00 0.74 O ATOM 1601 CB ASN A 188 9.243 -13.281 -2.770 1.00 0.73 C ATOM 1602 CG ASN A 188 8.648 -14.662 -2.547 1.00 1.45 C ATOM 1603 OD1 ASN A 188 9.235 -15.671 -2.936 1.00 2.36 O ATOM 1604 ND2 ASN A 188 7.473 -14.718 -1.941 1.00 1.95 N ATOM 0 H ASN A 188 8.647 -11.861 -0.652 1.00 0.58 H new ATOM 0 HA ASN A 188 10.796 -13.723 -1.368 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.437 -12.552 -2.852 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.780 -13.270 -3.718 1.00 0.73 H new ATOM 0 HD21 ASN A 188 7.023 -15.620 -1.782 1.00 1.95 H new ATOM 0 HD22 ASN A 188 7.017 -13.859 -1.632 1.00 1.95 H new ATOM 1611 N ASN A 189 10.714 -10.508 -1.894 1.00 0.53 N ATOM 1612 CA ASN A 189 11.485 -9.324 -2.273 1.00 0.52 C ATOM 1613 C ASN A 189 12.226 -9.479 -3.604 1.00 0.61 C ATOM 1614 O ASN A 189 13.448 -9.323 -3.666 1.00 0.71 O ATOM 1615 CB ASN A 189 12.453 -8.975 -1.175 1.00 0.59 C ATOM 1616 CG ASN A 189 12.819 -7.503 -1.125 1.00 1.12 C ATOM 1617 OD1 ASN A 189 12.208 -6.729 -0.388 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.813 -7.106 -1.903 1.00 1.74 N ATOM 0 H ASN A 189 9.831 -10.289 -1.433 1.00 0.53 H new ATOM 0 HA ASN A 189 10.769 -8.514 -2.416 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.021 -9.265 -0.217 1.00 0.59 H new ATOM 0 HB3 ASN A 189 13.362 -9.562 -1.305 1.00 0.59 H new ATOM 0 HD21 ASN A 189 14.098 -6.127 -1.906 1.00 1.74 H new ATOM 0 HD22 ASN A 189 14.294 -7.779 -2.499 1.00 1.74 H new