USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 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 -125:sc= -0.435 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.705 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 120 SER OG : rot -87:sc= -0.294! USER MOD Single : A 121 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0446) USER MOD Single : A 122 ASN : amide:sc= -0.0659 K(o=-0.066,f=-2) USER MOD Single : A 124 MET CE :methyl 144:sc= 0 (180deg=-0.413) USER MOD Single : A 126 LYS NZ :NH3+ -120:sc= -0.503 (180deg=-1.88!) USER MOD Single : A 131 THR OG1 : rot -29:sc= 0.243 USER MOD Single : A 132 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.89) USER MOD Single : A 133 TYR OH : rot 68:sc= -5.37! 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 139 MET CE :methyl -138:sc= -11.1! (180deg=-18!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl 162:sc= -0.526 (180deg=-1.47!) USER MOD Single : A 179 HIS : no HD1:sc= -0.431 K(o=-0.43,f=-2.9!) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 185 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 186 MET CE :methyl -144:sc= -0.183 (180deg=-0.733) USER MOD Single : A 188 ASN : amide:sc=-0.000835 X(o=-0.00084,f=-0.081) USER MOD Single : A 189 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 2.945 8.508 -7.963 1.00 0.27 N ATOM 468 CA THR A 118 4.027 9.456 -7.799 1.00 0.26 C ATOM 469 C THR A 118 3.749 10.318 -6.592 1.00 0.25 C ATOM 470 O THR A 118 2.887 11.194 -6.616 1.00 0.32 O ATOM 471 CB THR A 118 4.219 10.326 -9.050 1.00 0.30 C ATOM 472 OG1 THR A 118 4.846 9.568 -10.094 1.00 0.32 O ATOM 473 CG2 THR A 118 5.015 11.605 -8.771 1.00 0.32 C ATOM 0 HA THR A 118 4.954 8.901 -7.652 1.00 0.26 H new ATOM 0 HB THR A 118 3.225 10.637 -9.371 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.961 10.134 -10.886 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.118 12.178 -9.693 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.491 12.205 -8.027 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.004 11.343 -8.394 1.00 0.32 H new ATOM 481 N ILE A 119 4.440 10.011 -5.516 1.00 0.19 N ATOM 482 CA ILE A 119 4.206 10.653 -4.263 1.00 0.18 C ATOM 483 C ILE A 119 5.512 11.043 -3.597 1.00 0.19 C ATOM 484 O ILE A 119 6.579 10.568 -3.948 1.00 0.20 O ATOM 485 CB ILE A 119 3.534 9.699 -3.314 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.570 8.780 -2.771 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.464 8.908 -3.960 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.135 8.213 -1.511 1.00 0.17 C ATOM 0 H ILE A 119 5.178 9.307 -5.496 1.00 0.19 H new ATOM 0 HA ILE A 119 3.593 11.531 -4.467 1.00 0.18 H new ATOM 0 HB ILE A 119 3.062 10.282 -2.523 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.768 7.982 -3.487 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.506 9.320 -2.630 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.015 8.237 -3.228 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.701 9.580 -4.352 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.887 8.323 -4.777 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.905 7.543 -1.128 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.961 9.014 -0.792 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.211 7.655 -1.663 1.00 0.17 H new ATOM 500 N SER A 120 5.378 11.760 -2.529 1.00 0.21 N ATOM 501 CA SER A 120 6.520 12.345 -1.856 1.00 0.28 C ATOM 502 C SER A 120 6.549 11.925 -0.394 1.00 0.28 C ATOM 503 O SER A 120 5.646 11.222 0.070 1.00 0.25 O ATOM 504 CB SER A 120 6.488 13.870 -1.996 1.00 0.36 C ATOM 505 OG SER A 120 5.208 14.385 -1.674 1.00 1.29 O ATOM 0 H SER A 120 4.480 11.964 -2.089 1.00 0.21 H new ATOM 0 HA SER A 120 7.434 11.980 -2.325 1.00 0.28 H new ATOM 0 HB2 SER A 120 7.237 14.314 -1.341 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.750 14.150 -3.016 1.00 0.36 H new ATOM 0 HG SER A 120 4.641 14.377 -2.474 1.00 1.29 H new ATOM 511 N LYS A 121 7.581 12.352 0.319 1.00 0.35 N ATOM 512 CA LYS A 121 7.761 11.991 1.730 1.00 0.40 C ATOM 513 C LYS A 121 6.497 12.256 2.552 1.00 0.36 C ATOM 514 O LYS A 121 6.042 11.396 3.304 1.00 0.38 O ATOM 515 CB LYS A 121 8.950 12.755 2.326 1.00 0.50 C ATOM 516 CG LYS A 121 9.159 12.505 3.813 1.00 1.34 C ATOM 517 CD LYS A 121 10.381 13.241 4.338 1.00 1.71 C ATOM 518 CE LYS A 121 10.509 13.126 5.852 1.00 2.46 C ATOM 519 NZ LYS A 121 10.635 11.717 6.307 1.00 3.26 N ATOM 0 H LYS A 121 8.315 12.954 -0.054 1.00 0.35 H new ATOM 0 HA LYS A 121 7.963 10.921 1.772 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.856 12.474 1.789 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.802 13.823 2.164 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.275 12.826 4.364 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.274 11.436 3.990 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.277 12.838 3.867 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.319 14.293 4.058 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.380 13.691 6.184 1.00 2.46 H new ATOM 0 HE3 LYS A 121 9.637 13.580 6.323 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 10.821 11.698 7.330 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 9.751 11.207 6.106 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 11.421 11.259 5.804 1.00 3.26 H new ATOM 533 N ASN A 122 5.929 13.440 2.409 1.00 0.37 N ATOM 534 CA ASN A 122 4.725 13.796 3.137 1.00 0.37 C ATOM 535 C ASN A 122 3.505 13.292 2.408 1.00 0.30 C ATOM 536 O ASN A 122 2.433 13.157 2.999 1.00 0.29 O ATOM 537 CB ASN A 122 4.628 15.308 3.320 1.00 0.48 C ATOM 538 CG ASN A 122 3.484 15.721 4.227 1.00 1.22 C ATOM 539 OD1 ASN A 122 3.146 15.026 5.185 1.00 2.17 O ATOM 540 ND2 ASN A 122 2.870 16.852 3.925 1.00 1.64 N ATOM 0 H ASN A 122 6.283 14.173 1.794 1.00 0.37 H new ATOM 0 HA ASN A 122 4.774 13.329 4.120 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.565 15.680 3.734 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.501 15.779 2.345 1.00 0.48 H new ATOM 0 HD21 ASN A 122 2.088 17.175 4.494 1.00 1.64 H new ATOM 0 HD22 ASN A 122 3.179 17.401 3.123 1.00 1.64 H new ATOM 547 N GLU A 123 3.658 12.985 1.124 1.00 0.27 N ATOM 548 CA GLU A 123 2.540 12.550 0.362 1.00 0.25 C ATOM 549 C GLU A 123 2.121 11.198 0.810 1.00 0.21 C ATOM 550 O GLU A 123 0.986 10.822 0.691 1.00 0.26 O ATOM 551 CB GLU A 123 2.791 12.578 -1.118 1.00 0.27 C ATOM 552 CG GLU A 123 1.952 13.629 -1.790 1.00 0.30 C ATOM 553 CD GLU A 123 2.244 13.771 -3.265 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.363 14.203 -3.610 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.348 13.474 -4.081 1.00 0.50 O ATOM 0 H GLU A 123 4.540 13.035 0.614 1.00 0.27 H new ATOM 0 HA GLU A 123 1.730 13.257 0.540 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.846 12.775 -1.307 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.567 11.601 -1.546 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.898 13.383 -1.657 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.120 14.588 -1.299 1.00 0.30 H new ATOM 562 N MET A 124 3.019 10.485 1.391 1.00 0.19 N ATOM 563 CA MET A 124 2.648 9.201 1.890 1.00 0.20 C ATOM 564 C MET A 124 2.072 9.337 3.268 1.00 0.17 C ATOM 565 O MET A 124 1.206 8.571 3.659 1.00 0.16 O ATOM 566 CB MET A 124 3.801 8.209 1.863 1.00 0.27 C ATOM 567 CG MET A 124 5.017 8.599 2.694 1.00 1.21 C ATOM 568 SD MET A 124 4.816 8.265 4.456 1.00 2.28 S ATOM 569 CE MET A 124 6.472 8.581 5.051 1.00 3.06 C ATOM 0 H MET A 124 3.992 10.755 1.533 1.00 0.19 H new ATOM 0 HA MET A 124 1.885 8.794 1.227 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.436 7.244 2.214 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.117 8.073 0.829 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.888 8.058 2.326 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.219 9.661 2.553 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.422 9.039 6.039 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.021 7.642 5.114 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.983 9.255 4.364 1.00 3.06 H new ATOM 579 N VAL A 125 2.515 10.362 3.966 1.00 0.20 N ATOM 580 CA VAL A 125 2.119 10.588 5.336 1.00 0.22 C ATOM 581 C VAL A 125 0.631 10.812 5.459 1.00 0.21 C ATOM 582 O VAL A 125 0.001 10.509 6.466 1.00 0.23 O ATOM 583 CB VAL A 125 2.862 11.793 5.905 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.045 12.463 6.996 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.223 11.362 6.411 1.00 0.32 C ATOM 0 H VAL A 125 3.160 11.061 3.597 1.00 0.20 H new ATOM 0 HA VAL A 125 2.376 9.693 5.902 1.00 0.22 H new ATOM 0 HB VAL A 125 3.009 12.529 5.115 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.594 13.320 7.387 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.094 12.799 6.584 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.860 11.752 7.801 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.751 12.225 6.817 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.100 10.612 7.192 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.799 10.938 5.589 1.00 0.32 H new ATOM 595 N LYS A 126 0.100 11.411 4.454 1.00 0.20 N ATOM 596 CA LYS A 126 -1.323 11.513 4.311 1.00 0.20 C ATOM 597 C LYS A 126 -1.891 10.207 3.797 1.00 0.16 C ATOM 598 O LYS A 126 -2.914 9.771 4.270 1.00 0.19 O ATOM 599 CB LYS A 126 -1.620 12.612 3.333 1.00 0.24 C ATOM 600 CG LYS A 126 -1.039 12.269 1.985 1.00 0.32 C ATOM 601 CD LYS A 126 -0.205 13.326 1.347 1.00 0.39 C ATOM 602 CE LYS A 126 -0.887 14.671 1.260 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.527 15.566 2.393 1.00 1.51 N ATOM 0 H LYS A 126 0.633 11.848 3.702 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.778 11.731 5.277 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.697 12.755 3.249 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.201 13.552 3.691 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.432 11.370 2.091 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.859 12.023 1.310 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.721 13.435 1.911 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.069 13.003 0.343 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.616 15.152 0.320 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.967 14.527 1.244 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.386 15.822 2.920 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 0.134 15.074 3.027 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.077 16.428 2.025 1.00 1.51 H new ATOM 617 N LEU A 127 -1.208 9.591 2.832 1.00 0.15 N ATOM 618 CA LEU A 127 -1.700 8.412 2.164 1.00 0.19 C ATOM 619 C LEU A 127 -1.907 7.266 3.046 1.00 0.20 C ATOM 620 O LEU A 127 -2.866 6.564 2.833 1.00 0.24 O ATOM 621 CB LEU A 127 -0.815 8.003 1.041 1.00 0.25 C ATOM 622 CG LEU A 127 -1.353 8.502 -0.276 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.295 9.263 -1.066 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.955 7.358 -1.054 1.00 0.40 C ATOM 0 H LEU A 127 -0.297 9.906 2.499 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.676 8.709 1.781 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.189 8.397 1.201 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.731 6.917 1.016 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.148 9.221 -0.080 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.722 9.606 -2.009 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.044 10.122 -0.487 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.551 8.606 -1.268 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.341 7.727 -2.004 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.191 6.604 -1.242 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.768 6.915 -0.479 1.00 0.40 H new ATOM 636 N LEU A 128 -1.060 7.027 4.020 1.00 0.18 N ATOM 637 CA LEU A 128 -1.375 5.935 4.870 1.00 0.24 C ATOM 638 C LEU A 128 -2.704 6.232 5.574 1.00 0.26 C ATOM 639 O LEU A 128 -3.588 5.394 5.640 1.00 0.32 O ATOM 640 CB LEU A 128 -0.240 5.507 5.841 1.00 0.28 C ATOM 641 CG LEU A 128 0.586 6.561 6.564 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.819 6.885 5.806 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.183 7.784 6.765 1.00 0.21 C ATOM 0 H LEU A 128 -0.205 7.543 4.226 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.485 5.049 4.245 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.689 4.870 6.603 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.453 4.886 5.274 1.00 0.28 H new ATOM 0 HG LEU A 128 0.859 6.145 7.534 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.390 7.641 6.346 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.424 5.985 5.693 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.551 7.268 4.821 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.432 8.519 7.284 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.489 8.184 5.798 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.067 7.564 7.363 1.00 0.21 H new ATOM 655 N GLU A 129 -2.878 7.469 5.993 1.00 0.23 N ATOM 656 CA GLU A 129 -4.089 7.908 6.653 1.00 0.28 C ATOM 657 C GLU A 129 -5.214 7.885 5.661 1.00 0.25 C ATOM 658 O GLU A 129 -6.386 7.669 5.975 1.00 0.31 O ATOM 659 CB GLU A 129 -3.873 9.317 7.114 1.00 0.32 C ATOM 660 CG GLU A 129 -2.611 9.441 7.919 1.00 0.44 C ATOM 661 CD GLU A 129 -2.571 8.506 9.116 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.626 8.323 9.761 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.478 8.013 9.458 1.00 2.23 O ATOM 0 H GLU A 129 -2.178 8.202 5.884 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.329 7.260 7.496 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -3.823 9.981 6.251 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.723 9.640 7.715 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -1.756 9.234 7.276 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -2.508 10.469 8.266 1.00 0.44 H new ATOM 670 N ALA A 130 -4.797 8.102 4.443 1.00 0.21 N ATOM 671 CA ALA A 130 -5.668 8.250 3.328 1.00 0.25 C ATOM 672 C ALA A 130 -6.018 6.884 2.755 1.00 0.28 C ATOM 673 O ALA A 130 -6.857 6.757 1.864 1.00 0.33 O ATOM 674 CB ALA A 130 -4.990 9.127 2.282 1.00 0.26 C ATOM 0 H ALA A 130 -3.809 8.182 4.201 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.596 8.728 3.641 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.651 9.246 1.423 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.774 10.105 2.712 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.060 8.658 1.962 1.00 0.26 H new ATOM 680 N THR A 131 -5.355 5.863 3.285 1.00 0.26 N ATOM 681 CA THR A 131 -5.498 4.518 2.792 1.00 0.29 C ATOM 682 C THR A 131 -5.955 3.603 3.923 1.00 0.29 C ATOM 683 O THR A 131 -6.150 2.400 3.739 1.00 0.33 O ATOM 684 CB THR A 131 -4.182 4.019 2.163 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.396 2.787 1.460 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.136 3.822 3.231 1.00 0.28 C ATOM 0 H THR A 131 -4.707 5.954 4.067 1.00 0.26 H new ATOM 0 HA THR A 131 -6.255 4.506 2.008 1.00 0.29 H new ATOM 0 HB THR A 131 -3.833 4.771 1.456 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.138 2.299 1.874 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.211 3.469 2.774 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.952 4.769 3.739 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.488 3.085 3.953 1.00 0.28 H new ATOM 694 N GLN A 132 -6.105 4.224 5.091 1.00 0.25 N ATOM 695 CA GLN A 132 -6.523 3.576 6.332 1.00 0.25 C ATOM 696 C GLN A 132 -5.394 2.789 6.986 1.00 0.21 C ATOM 697 O GLN A 132 -5.549 1.623 7.344 1.00 0.23 O ATOM 698 CB GLN A 132 -7.747 2.680 6.151 1.00 0.32 C ATOM 699 CG GLN A 132 -9.010 3.429 5.767 1.00 0.41 C ATOM 700 CD GLN A 132 -9.419 4.450 6.807 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.164 4.280 8.002 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.053 5.519 6.358 1.00 2.15 N ATOM 0 H GLN A 132 -5.934 5.223 5.203 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.802 4.392 6.998 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.530 1.937 5.383 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -7.927 2.137 7.079 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -8.855 3.931 4.812 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.822 2.716 5.624 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.243 5.618 5.361 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.352 6.245 7.009 1.00 2.15 H new ATOM 711 N TYR A 133 -4.275 3.453 7.154 1.00 0.17 N ATOM 712 CA TYR A 133 -3.101 2.880 7.725 1.00 0.15 C ATOM 713 C TYR A 133 -2.327 4.006 8.383 1.00 0.15 C ATOM 714 O TYR A 133 -2.373 5.136 7.953 1.00 0.18 O ATOM 715 CB TYR A 133 -2.294 2.100 6.671 1.00 0.16 C ATOM 716 CG TYR A 133 -0.796 2.332 6.674 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.028 2.285 7.836 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.142 2.612 5.489 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.304 2.513 7.810 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.212 2.831 5.460 1.00 0.25 C ATOM 721 CZ TYR A 133 1.928 2.782 6.627 1.00 0.19 C ATOM 722 OH TYR A 133 3.270 3.004 6.612 1.00 0.27 O ATOM 0 H TYR A 133 -4.163 4.431 6.887 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.347 2.137 8.484 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.477 1.035 6.817 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.679 2.357 5.684 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.508 2.062 8.778 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.707 2.659 4.570 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.875 2.482 8.726 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.710 3.040 4.525 1.00 0.25 H new ATOM 0 HH TYR A 133 3.741 2.176 6.841 1.00 0.27 H new ATOM 732 N ARG A 134 -1.691 3.720 9.468 1.00 0.15 N ATOM 733 CA ARG A 134 -0.993 4.725 10.223 1.00 0.18 C ATOM 734 C ARG A 134 0.265 4.064 10.742 1.00 0.19 C ATOM 735 O ARG A 134 0.310 2.836 10.762 1.00 0.18 O ATOM 736 CB ARG A 134 -1.902 5.146 11.358 1.00 0.18 C ATOM 737 CG ARG A 134 -3.342 5.332 10.899 1.00 0.22 C ATOM 738 CD ARG A 134 -4.077 4.003 10.888 1.00 0.25 C ATOM 739 NE ARG A 134 -4.608 3.643 12.200 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.883 2.395 12.581 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.689 1.379 11.749 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.348 2.166 13.802 1.00 0.49 N ATOM 0 H ARG A 134 -1.636 2.782 9.864 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.731 5.607 9.639 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.868 4.395 12.147 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.536 6.078 11.789 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.853 6.030 11.562 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.357 5.770 9.901 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.895 4.051 10.170 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.399 3.220 10.547 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.780 4.395 12.868 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.327 1.550 10.811 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.902 0.427 12.048 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.494 2.943 14.446 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.559 1.213 14.097 1.00 0.49 H new ATOM 756 N GLN A 135 1.280 4.819 11.140 1.00 0.22 N ATOM 757 CA GLN A 135 2.521 4.193 11.587 1.00 0.25 C ATOM 758 C GLN A 135 2.272 3.173 12.656 1.00 0.24 C ATOM 759 O GLN A 135 1.252 3.193 13.353 1.00 0.30 O ATOM 760 CB GLN A 135 3.529 5.194 12.117 1.00 0.35 C ATOM 761 CG GLN A 135 3.362 5.474 13.590 1.00 0.88 C ATOM 762 CD GLN A 135 3.926 6.818 14.002 1.00 1.36 C ATOM 763 OE1 GLN A 135 3.235 7.836 13.955 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.182 6.831 14.420 1.00 1.96 N ATOM 0 H GLN A 135 1.274 5.839 11.164 1.00 0.22 H new ATOM 0 HA GLN A 135 2.933 3.714 10.699 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.536 4.818 11.936 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.433 6.127 11.562 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.303 5.437 13.844 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.855 4.688 14.162 1.00 0.88 H new ATOM 0 HE21 GLN A 135 5.721 5.965 14.444 1.00 1.96 H new ATOM 0 HE22 GLN A 135 5.611 7.707 14.718 1.00 1.96 H new ATOM 773 N VAL A 136 3.236 2.309 12.809 1.00 0.23 N ATOM 774 CA VAL A 136 3.043 1.160 13.617 1.00 0.24 C ATOM 775 C VAL A 136 4.339 0.715 14.299 1.00 0.27 C ATOM 776 O VAL A 136 5.436 0.982 13.808 1.00 0.27 O ATOM 777 CB VAL A 136 2.448 0.010 12.757 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.783 -1.359 13.293 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.951 0.142 12.621 1.00 0.20 C ATOM 0 H VAL A 136 4.159 2.387 12.381 1.00 0.23 H new ATOM 0 HA VAL A 136 2.341 1.418 14.410 1.00 0.24 H new ATOM 0 HB VAL A 136 2.912 0.107 11.776 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.340 -2.120 12.650 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.865 -1.487 13.314 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.386 -1.461 14.303 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.567 -0.678 12.014 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.492 0.108 13.609 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.711 1.091 12.142 1.00 0.20 H new ATOM 789 N SER A 137 4.196 0.058 15.436 1.00 0.31 N ATOM 790 CA SER A 137 5.311 -0.568 16.122 1.00 0.35 C ATOM 791 C SER A 137 5.969 -1.634 15.273 1.00 0.33 C ATOM 792 O SER A 137 7.188 -1.651 15.089 1.00 0.35 O ATOM 793 CB SER A 137 4.776 -1.225 17.368 1.00 0.39 C ATOM 794 OG SER A 137 4.803 -0.347 18.479 1.00 0.73 O ATOM 0 H SER A 137 3.300 -0.057 15.911 1.00 0.31 H new ATOM 0 HA SER A 137 6.054 0.197 16.345 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.753 -1.558 17.193 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.366 -2.113 17.592 1.00 0.39 H new ATOM 0 HG SER A 137 4.447 -0.807 19.268 1.00 0.73 H new ATOM 800 N LYS A 138 5.138 -2.502 14.758 1.00 0.30 N ATOM 801 CA LYS A 138 5.570 -3.610 13.952 1.00 0.30 C ATOM 802 C LYS A 138 4.427 -4.052 13.085 1.00 0.27 C ATOM 803 O LYS A 138 3.384 -4.505 13.562 1.00 0.28 O ATOM 804 CB LYS A 138 6.023 -4.737 14.822 1.00 0.35 C ATOM 805 CG LYS A 138 5.002 -5.086 15.856 1.00 0.37 C ATOM 806 CD LYS A 138 5.408 -6.309 16.646 1.00 0.43 C ATOM 807 CE LYS A 138 5.609 -7.495 15.719 1.00 0.44 C ATOM 808 NZ LYS A 138 6.063 -8.705 16.449 1.00 0.51 N ATOM 0 H LYS A 138 4.128 -2.457 14.890 1.00 0.30 H new ATOM 0 HA LYS A 138 6.409 -3.303 13.327 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.229 -5.612 14.205 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.958 -4.465 15.312 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.866 -4.243 16.533 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.041 -5.266 15.374 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.329 -6.107 17.193 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.642 -6.543 17.385 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.674 -7.713 15.203 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.342 -7.237 14.955 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.187 -9.489 15.777 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.968 -8.506 16.921 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.352 -8.968 17.161 1.00 0.51 H new ATOM 822 N MET A 139 4.604 -3.888 11.819 1.00 0.25 N ATOM 823 CA MET A 139 3.511 -4.021 10.922 1.00 0.25 C ATOM 824 C MET A 139 3.267 -5.470 10.567 1.00 0.26 C ATOM 825 O MET A 139 4.067 -6.141 9.908 1.00 0.30 O ATOM 826 CB MET A 139 3.718 -3.146 9.700 1.00 0.33 C ATOM 827 CG MET A 139 4.180 -3.854 8.468 1.00 0.70 C ATOM 828 SD MET A 139 3.595 -3.051 6.987 1.00 2.16 S ATOM 829 CE MET A 139 3.888 -4.363 5.832 1.00 2.71 C ATOM 0 H MET A 139 5.497 -3.661 11.382 1.00 0.25 H new ATOM 0 HA MET A 139 2.606 -3.671 11.419 1.00 0.25 H new ATOM 0 HB2 MET A 139 2.780 -2.639 9.475 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.446 -2.374 9.948 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.269 -3.890 8.456 1.00 0.70 H new ATOM 0 HG3 MET A 139 3.827 -4.885 8.487 1.00 0.70 H new ATOM 0 HE1 MET A 139 4.307 -3.952 4.913 1.00 2.71 H new ATOM 0 HE2 MET A 139 4.589 -5.077 6.263 1.00 2.71 H new ATOM 0 HE3 MET A 139 2.948 -4.867 5.608 1.00 2.71 H new ATOM 839 N THR A 140 2.203 -5.974 11.116 1.00 0.25 N ATOM 840 CA THR A 140 1.632 -7.181 10.623 1.00 0.26 C ATOM 841 C THR A 140 0.192 -7.223 11.019 1.00 0.27 C ATOM 842 O THR A 140 -0.175 -7.697 12.091 1.00 0.30 O ATOM 843 CB THR A 140 2.391 -8.379 11.201 1.00 0.31 C ATOM 844 OG1 THR A 140 1.696 -9.606 10.938 1.00 0.35 O ATOM 845 CG2 THR A 140 2.614 -8.192 12.699 1.00 0.34 C ATOM 0 H THR A 140 1.714 -5.562 11.910 1.00 0.25 H new ATOM 0 HA THR A 140 1.706 -7.222 9.536 1.00 0.26 H new ATOM 0 HB THR A 140 3.363 -8.437 10.711 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.202 -10.356 11.316 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.155 -9.051 13.096 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.196 -7.286 12.870 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.651 -8.105 13.202 1.00 0.34 H new ATOM 853 N ARG A 141 -0.620 -6.785 10.091 1.00 0.25 N ATOM 854 CA ARG A 141 -2.049 -6.817 10.221 1.00 0.28 C ATOM 855 C ARG A 141 -2.642 -6.927 8.841 1.00 0.30 C ATOM 856 O ARG A 141 -1.927 -6.764 7.859 1.00 0.45 O ATOM 857 CB ARG A 141 -2.545 -5.532 10.888 1.00 0.30 C ATOM 858 CG ARG A 141 -1.729 -5.118 12.090 1.00 0.38 C ATOM 859 CD ARG A 141 -2.078 -6.011 13.243 1.00 1.01 C ATOM 860 NE ARG A 141 -1.527 -5.543 14.510 1.00 1.20 N ATOM 861 CZ ARG A 141 -2.139 -4.697 15.336 1.00 1.74 C ATOM 862 NH1 ARG A 141 -3.270 -4.093 14.979 1.00 2.38 N ATOM 863 NH2 ARG A 141 -1.590 -4.424 16.514 1.00 1.97 N ATOM 0 H ARG A 141 -0.297 -6.389 9.208 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.348 -7.666 10.836 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.532 -4.725 10.156 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.582 -5.669 11.194 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.665 -5.190 11.866 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.932 -4.078 12.344 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -3.163 -6.080 13.327 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.709 -7.017 13.042 1.00 1.01 H new ATOM 0 HE ARG A 141 -0.607 -5.889 14.783 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -3.679 -4.276 14.063 1.00 2.38 H new ATOM 0 HH12 ARG A 141 -3.728 -3.447 15.622 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.707 -4.861 16.779 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -2.051 -3.777 17.154 1.00 1.97 H new ATOM 877 N PRO A 142 -3.935 -7.181 8.709 1.00 0.36 N ATOM 878 CA PRO A 142 -4.585 -6.891 7.461 1.00 0.39 C ATOM 879 C PRO A 142 -4.925 -5.404 7.399 1.00 0.32 C ATOM 880 O PRO A 142 -5.791 -4.921 8.131 1.00 0.37 O ATOM 881 CB PRO A 142 -5.849 -7.743 7.510 1.00 0.53 C ATOM 882 CG PRO A 142 -6.144 -7.927 8.965 1.00 0.79 C ATOM 883 CD PRO A 142 -4.833 -7.792 9.702 1.00 0.55 C ATOM 0 HA PRO A 142 -3.975 -7.109 6.585 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.676 -7.249 7.000 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.696 -8.702 7.015 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.859 -7.181 9.311 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.590 -8.905 9.147 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.935 -7.166 10.588 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.460 -8.760 10.037 1.00 0.55 H new ATOM 891 N GLY A 143 -4.234 -4.684 6.533 1.00 0.27 N ATOM 892 CA GLY A 143 -4.574 -3.288 6.300 1.00 0.27 C ATOM 893 C GLY A 143 -4.066 -2.333 7.381 1.00 0.26 C ATOM 894 O GLY A 143 -4.660 -1.279 7.603 1.00 0.38 O ATOM 0 H GLY A 143 -3.447 -5.033 5.987 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.164 -2.981 5.338 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.658 -3.196 6.229 1.00 0.27 H new ATOM 898 N GLU A 144 -2.982 -2.698 8.057 1.00 0.17 N ATOM 899 CA GLU A 144 -2.301 -1.787 8.986 1.00 0.14 C ATOM 900 C GLU A 144 -0.821 -1.964 8.786 1.00 0.11 C ATOM 901 O GLU A 144 -0.326 -3.094 8.790 1.00 0.12 O ATOM 902 CB GLU A 144 -2.671 -2.085 10.438 1.00 0.18 C ATOM 903 CG GLU A 144 -4.171 -2.108 10.692 1.00 0.40 C ATOM 904 CD GLU A 144 -4.516 -2.213 12.160 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.749 -1.159 12.792 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.563 -3.343 12.689 1.00 1.44 O ATOM 0 H GLU A 144 -2.551 -3.619 7.983 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.607 -0.761 8.783 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.248 -3.049 10.721 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.213 -1.334 11.082 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.618 -1.202 10.283 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.612 -2.950 10.159 1.00 0.40 H new ATOM 913 N PHE A 145 -0.101 -0.870 8.623 1.00 0.10 N ATOM 914 CA PHE A 145 1.261 -0.974 8.126 1.00 0.10 C ATOM 915 C PHE A 145 2.200 -0.110 8.959 1.00 0.09 C ATOM 916 O PHE A 145 1.755 0.580 9.863 1.00 0.10 O ATOM 917 CB PHE A 145 1.367 -0.580 6.636 1.00 0.16 C ATOM 918 CG PHE A 145 0.240 -1.017 5.711 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.420 -2.216 5.880 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.131 -0.220 4.640 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.425 -2.610 5.016 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.136 -0.603 3.774 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.785 -1.800 3.963 1.00 0.27 C ATOM 0 H PHE A 145 -0.423 0.077 8.821 1.00 0.10 H new ATOM 0 HA PHE A 145 1.556 -2.020 8.215 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.446 0.506 6.580 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.299 -0.988 6.246 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.147 -2.860 6.703 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.376 0.720 4.479 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.928 -3.554 5.167 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.412 0.037 2.949 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.573 -2.103 3.289 1.00 0.27 H new ATOM 933 N THR A 146 3.491 -0.150 8.668 1.00 0.09 N ATOM 934 CA THR A 146 4.445 0.660 9.405 1.00 0.12 C ATOM 935 C THR A 146 5.076 1.729 8.543 1.00 0.12 C ATOM 936 O THR A 146 5.466 1.494 7.396 1.00 0.15 O ATOM 937 CB THR A 146 5.579 -0.169 10.011 1.00 0.15 C ATOM 938 OG1 THR A 146 6.095 -1.097 9.048 1.00 0.16 O ATOM 939 CG2 THR A 146 5.131 -0.901 11.248 1.00 0.19 C ATOM 0 H THR A 146 3.898 -0.729 7.934 1.00 0.09 H new ATOM 0 HA THR A 146 3.859 1.118 10.201 1.00 0.12 H new ATOM 0 HB THR A 146 6.372 0.522 10.299 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.820 -1.618 9.452 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.963 -1.479 11.650 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.794 -0.182 11.995 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.311 -1.573 10.996 1.00 0.19 H new ATOM 947 N VAL A 147 5.206 2.883 9.147 1.00 0.14 N ATOM 948 CA VAL A 147 5.765 4.056 8.506 1.00 0.15 C ATOM 949 C VAL A 147 7.233 4.242 8.895 1.00 0.23 C ATOM 950 O VAL A 147 7.612 3.996 10.041 1.00 0.29 O ATOM 951 CB VAL A 147 4.950 5.294 8.921 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.655 6.584 8.532 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.571 5.244 8.306 1.00 0.73 C ATOM 0 H VAL A 147 4.923 3.041 10.114 1.00 0.14 H new ATOM 0 HA VAL A 147 5.716 3.926 7.425 1.00 0.15 H new ATOM 0 HB VAL A 147 4.856 5.281 10.007 1.00 0.28 H new ATOM 0 HG11 VAL A 147 5.050 7.437 8.841 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.626 6.631 9.025 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.795 6.611 7.451 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.006 6.126 8.608 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.658 5.223 7.220 1.00 0.73 H new ATOM 0 HG23 VAL A 147 3.053 4.347 8.646 1.00 0.73 H new ATOM 963 N GLN A 148 8.063 4.663 7.944 1.00 0.37 N ATOM 964 CA GLN A 148 9.467 4.921 8.240 1.00 0.51 C ATOM 965 C GLN A 148 9.878 6.322 7.780 1.00 0.58 C ATOM 966 O GLN A 148 9.900 7.253 8.583 1.00 1.16 O ATOM 967 CB GLN A 148 10.363 3.851 7.613 1.00 0.57 C ATOM 968 CG GLN A 148 11.802 3.908 8.099 1.00 1.20 C ATOM 969 CD GLN A 148 12.616 2.711 7.656 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.259 2.730 6.604 1.00 2.45 O ATOM 971 NE2 GLN A 148 12.589 1.655 8.453 1.00 2.15 N ATOM 0 H GLN A 148 7.792 4.831 6.975 1.00 0.37 H new ATOM 0 HA GLN A 148 9.596 4.875 9.321 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.951 2.867 7.835 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.349 3.965 6.529 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.271 4.819 7.727 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.812 3.966 9.187 1.00 1.20 H new ATOM 0 HE21 GLN A 148 12.044 1.680 9.315 1.00 2.15 H new ATOM 0 HE22 GLN A 148 13.113 0.816 8.205 1.00 2.15 H new ATOM 980 N ALA A 149 10.182 6.483 6.494 1.00 0.40 N ATOM 981 CA ALA A 149 10.623 7.779 5.980 1.00 0.39 C ATOM 982 C ALA A 149 10.480 7.863 4.463 1.00 0.31 C ATOM 983 O ALA A 149 9.455 8.305 3.953 1.00 0.37 O ATOM 984 CB ALA A 149 12.062 8.053 6.394 1.00 0.49 C ATOM 0 H ALA A 149 10.132 5.742 5.795 1.00 0.40 H new ATOM 0 HA ALA A 149 9.978 8.543 6.415 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.375 9.021 6.003 1.00 0.49 H new ATOM 0 HB2 ALA A 149 12.133 8.060 7.482 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.710 7.274 5.994 1.00 0.49 H new ATOM 990 N ASN A 150 11.513 7.432 3.748 1.00 0.26 N ATOM 991 CA ASN A 150 11.482 7.400 2.286 1.00 0.24 C ATOM 992 C ASN A 150 10.853 6.126 1.827 1.00 0.19 C ATOM 993 O ASN A 150 10.728 5.872 0.638 1.00 0.20 O ATOM 994 CB ASN A 150 12.876 7.444 1.700 1.00 0.28 C ATOM 995 CG ASN A 150 13.629 8.709 2.061 1.00 0.39 C ATOM 996 OD1 ASN A 150 14.278 8.784 3.103 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.550 9.714 1.203 1.00 1.00 N ATOM 0 H ASN A 150 12.386 7.098 4.156 1.00 0.26 H new ATOM 0 HA ASN A 150 10.916 8.271 1.955 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.439 6.579 2.051 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.811 7.363 0.615 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.038 10.589 1.396 1.00 1.00 H new ATOM 0 HD22 ASN A 150 13.001 9.614 0.349 1.00 1.00 H new ATOM 1004 N SER A 151 10.521 5.288 2.766 1.00 0.17 N ATOM 1005 CA SER A 151 9.787 4.106 2.447 1.00 0.20 C ATOM 1006 C SER A 151 8.771 3.802 3.544 1.00 0.20 C ATOM 1007 O SER A 151 9.000 4.095 4.719 1.00 0.27 O ATOM 1008 CB SER A 151 10.737 2.920 2.284 1.00 0.27 C ATOM 1009 OG SER A 151 11.783 3.228 1.379 1.00 0.94 O ATOM 0 H SER A 151 10.747 5.403 3.754 1.00 0.17 H new ATOM 0 HA SER A 151 9.259 4.271 1.508 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.157 2.650 3.253 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.183 2.053 1.924 1.00 0.27 H new ATOM 0 HG SER A 151 11.807 2.556 0.666 1.00 0.94 H new ATOM 1015 N ILE A 152 7.648 3.248 3.143 1.00 0.18 N ATOM 1016 CA ILE A 152 6.676 2.698 4.057 1.00 0.17 C ATOM 1017 C ILE A 152 6.766 1.185 3.962 1.00 0.17 C ATOM 1018 O ILE A 152 7.444 0.656 3.084 1.00 0.19 O ATOM 1019 CB ILE A 152 5.260 3.192 3.686 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.997 4.542 4.341 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.168 2.206 4.068 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.637 5.076 4.023 1.00 0.20 C ATOM 0 H ILE A 152 7.383 3.167 2.161 1.00 0.18 H new ATOM 0 HA ILE A 152 6.877 3.020 5.079 1.00 0.17 H new ATOM 0 HB ILE A 152 5.230 3.289 2.601 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.102 4.445 5.422 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.751 5.256 4.010 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.197 2.610 3.782 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.334 1.261 3.552 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.189 2.040 5.145 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.500 6.040 4.514 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.538 5.201 2.945 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.880 4.377 4.378 1.00 0.20 H new ATOM 1034 N GLU A 153 6.126 0.484 4.854 1.00 0.16 N ATOM 1035 CA GLU A 153 5.928 -0.917 4.651 1.00 0.14 C ATOM 1036 C GLU A 153 4.440 -1.127 4.525 1.00 0.23 C ATOM 1037 O GLU A 153 3.701 -0.531 5.280 1.00 0.56 O ATOM 1038 CB GLU A 153 6.461 -1.730 5.812 1.00 0.18 C ATOM 1039 CG GLU A 153 6.846 -3.128 5.381 1.00 0.27 C ATOM 1040 CD GLU A 153 7.459 -3.958 6.490 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.887 -5.012 6.835 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.520 -3.565 7.023 1.00 0.72 O ATOM 0 H GLU A 153 5.737 0.858 5.720 1.00 0.16 H new ATOM 0 HA GLU A 153 6.464 -1.245 3.760 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.329 -1.229 6.240 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.706 -1.785 6.596 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.961 -3.639 5.003 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.553 -3.062 4.554 1.00 0.27 H new ATOM 1049 N MET A 154 3.987 -1.916 3.571 1.00 0.13 N ATOM 1050 CA MET A 154 2.551 -2.142 3.424 1.00 0.13 C ATOM 1051 C MET A 154 2.224 -3.619 3.215 1.00 0.15 C ATOM 1052 O MET A 154 2.837 -4.286 2.391 1.00 0.18 O ATOM 1053 CB MET A 154 1.992 -1.273 2.276 1.00 0.19 C ATOM 1054 CG MET A 154 2.481 -1.637 0.873 1.00 0.94 C ATOM 1055 SD MET A 154 1.587 -3.016 0.118 1.00 0.73 S ATOM 1056 CE MET A 154 -0.109 -2.449 0.235 1.00 1.32 C ATOM 0 H MET A 154 4.573 -2.406 2.895 1.00 0.13 H new ATOM 0 HA MET A 154 2.066 -1.844 4.354 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.904 -1.339 2.291 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.251 -0.233 2.473 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.390 -0.762 0.229 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.541 -1.888 0.922 1.00 0.94 H new ATOM 0 HE1 MET A 154 -0.732 -3.019 -0.455 1.00 1.32 H new ATOM 0 HE2 MET A 154 -0.471 -2.592 1.253 1.00 1.32 H new ATOM 0 HE3 MET A 154 -0.157 -1.391 -0.022 1.00 1.32 H new ATOM 1066 N ILE A 155 1.304 -4.148 4.027 1.00 0.16 N ATOM 1067 CA ILE A 155 0.810 -5.497 3.821 1.00 0.19 C ATOM 1068 C ILE A 155 0.060 -5.562 2.505 1.00 0.27 C ATOM 1069 O ILE A 155 -0.915 -4.835 2.297 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.131 -6.001 4.937 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.178 -5.320 6.284 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.005 -7.525 5.046 1.00 0.25 C ATOM 1073 CD1 ILE A 155 0.997 -6.136 7.252 1.00 0.24 C ATOM 0 H ILE A 155 0.894 -3.661 4.824 1.00 0.16 H new ATOM 0 HA ILE A 155 1.689 -6.142 3.825 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.158 -5.741 4.681 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.705 -4.386 6.087 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.765 -5.059 6.764 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.666 -7.889 5.832 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.284 -7.982 4.096 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.025 -7.789 5.287 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.156 -5.564 8.166 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.467 -7.059 7.489 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.960 -6.376 6.802 1.00 0.24 H new ATOM 1297 N VAL A 169 0.411 -11.117 3.163 1.00 0.38 N ATOM 1298 CA VAL A 169 1.802 -10.888 2.879 1.00 0.32 C ATOM 1299 C VAL A 169 2.076 -9.441 3.028 1.00 0.26 C ATOM 1300 O VAL A 169 1.220 -8.631 2.737 1.00 0.29 O ATOM 1301 CB VAL A 169 2.141 -11.227 1.440 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.543 -10.740 1.127 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.973 -12.712 1.200 1.00 0.48 C ATOM 0 HA VAL A 169 2.385 -11.509 3.558 1.00 0.32 H new ATOM 0 HB VAL A 169 1.455 -10.720 0.761 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.790 -10.982 0.093 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.593 -9.660 1.269 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.255 -11.227 1.794 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.219 -12.943 0.164 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.638 -13.265 1.863 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.941 -12.998 1.400 1.00 0.48 H new ATOM 1313 N ARG A 170 3.262 -9.105 3.419 1.00 0.23 N ATOM 1314 CA ARG A 170 3.591 -7.730 3.499 1.00 0.20 C ATOM 1315 C ARG A 170 4.749 -7.354 2.635 1.00 0.19 C ATOM 1316 O ARG A 170 5.707 -8.105 2.448 1.00 0.25 O ATOM 1317 CB ARG A 170 3.769 -7.316 4.922 1.00 0.26 C ATOM 1318 CG ARG A 170 4.586 -8.276 5.736 1.00 0.23 C ATOM 1319 CD ARG A 170 6.076 -8.121 5.512 1.00 0.39 C ATOM 1320 NE ARG A 170 6.869 -8.930 6.437 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.019 -8.535 6.988 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.440 -7.282 6.847 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.723 -9.381 7.730 1.00 1.61 N ATOM 0 H ARG A 170 4.003 -9.754 3.682 1.00 0.23 H new ATOM 0 HA ARG A 170 2.749 -7.168 3.095 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.245 -6.336 4.948 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.788 -7.206 5.384 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.365 -8.127 6.793 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.291 -9.296 5.489 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.317 -8.405 4.488 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.350 -7.072 5.625 1.00 0.39 H new ATOM 0 HE ARG A 170 6.520 -9.858 6.677 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.883 -6.614 6.314 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.320 -6.989 7.271 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.385 -10.332 7.879 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.602 -9.080 8.151 1.00 1.61 H new ATOM 1337 N ALA A 171 4.610 -6.182 2.089 1.00 0.17 N ATOM 1338 CA ALA A 171 5.562 -5.645 1.172 1.00 0.16 C ATOM 1339 C ALA A 171 6.205 -4.402 1.745 1.00 0.16 C ATOM 1340 O ALA A 171 5.726 -3.839 2.722 1.00 0.20 O ATOM 1341 CB ALA A 171 4.879 -5.329 -0.144 1.00 0.16 C ATOM 0 H ALA A 171 3.819 -5.566 2.273 1.00 0.17 H new ATOM 0 HA ALA A 171 6.344 -6.384 0.999 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.608 -4.919 -0.843 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.451 -6.241 -0.560 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.087 -4.600 0.023 1.00 0.16 H new ATOM 1347 N ARG A 172 7.277 -3.973 1.121 1.00 0.16 N ATOM 1348 CA ARG A 172 7.972 -2.786 1.546 1.00 0.18 C ATOM 1349 C ARG A 172 7.887 -1.796 0.437 1.00 0.18 C ATOM 1350 O ARG A 172 8.336 -2.037 -0.682 1.00 0.22 O ATOM 1351 CB ARG A 172 9.417 -3.061 1.932 1.00 0.24 C ATOM 1352 CG ARG A 172 10.217 -1.812 2.264 1.00 0.79 C ATOM 1353 CD ARG A 172 11.581 -2.169 2.827 1.00 1.08 C ATOM 1354 NE ARG A 172 12.383 -0.983 3.124 1.00 1.97 N ATOM 1355 CZ ARG A 172 12.973 -0.754 4.296 1.00 2.59 C ATOM 1356 NH1 ARG A 172 12.813 -1.599 5.308 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.719 0.329 4.459 1.00 3.69 N ATOM 0 H ARG A 172 7.688 -4.435 0.310 1.00 0.16 H new ATOM 0 HA ARG A 172 7.501 -2.395 2.448 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.431 -3.729 2.793 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.907 -3.587 1.113 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.338 -1.205 1.367 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.669 -1.207 2.986 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.455 -2.757 3.736 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.114 -2.797 2.113 1.00 1.08 H new ATOM 0 HE ARG A 172 12.498 -0.287 2.387 1.00 1.97 H new ATOM 0 HH11 ARG A 172 12.235 -2.431 5.191 1.00 2.48 H new ATOM 0 HH12 ARG A 172 13.268 -1.416 6.202 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.841 0.985 3.688 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.172 0.506 5.356 1.00 3.69 H new ATOM 1371 N LEU A 173 7.288 -0.703 0.761 1.00 0.20 N ATOM 1372 CA LEU A 173 6.813 0.213 -0.214 1.00 0.24 C ATOM 1373 C LEU A 173 7.605 1.508 -0.141 1.00 0.25 C ATOM 1374 O LEU A 173 7.549 2.240 0.832 1.00 0.48 O ATOM 1375 CB LEU A 173 5.333 0.401 0.062 1.00 0.37 C ATOM 1376 CG LEU A 173 4.852 1.812 -0.019 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.629 2.220 -1.439 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.635 2.000 0.859 1.00 0.54 C ATOM 0 H LEU A 173 7.112 -0.417 1.724 1.00 0.20 H new ATOM 0 HA LEU A 173 6.946 -0.154 -1.232 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.767 -0.202 -0.648 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.112 0.014 1.057 1.00 0.37 H new ATOM 0 HG LEU A 173 5.623 2.480 0.366 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.279 3.252 -1.470 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.564 2.137 -1.993 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.881 1.569 -1.891 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.294 3.033 0.791 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.840 1.333 0.527 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.893 1.770 1.893 1.00 0.54 H new ATOM 1390 N THR A 174 8.336 1.790 -1.184 1.00 0.17 N ATOM 1391 CA THR A 174 9.320 2.839 -1.144 1.00 0.15 C ATOM 1392 C THR A 174 8.943 4.024 -1.993 1.00 0.13 C ATOM 1393 O THR A 174 8.239 3.899 -2.987 1.00 0.12 O ATOM 1394 CB THR A 174 10.679 2.301 -1.583 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.161 1.335 -0.642 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.656 3.435 -1.722 1.00 0.20 C ATOM 0 H THR A 174 8.269 1.305 -2.079 1.00 0.17 H new ATOM 0 HA THR A 174 9.371 3.185 -0.112 1.00 0.15 H new ATOM 0 HB THR A 174 10.570 1.810 -2.550 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.032 0.997 -0.937 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.624 3.045 -2.036 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.290 4.141 -2.468 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.763 3.943 -0.763 1.00 0.20 H new ATOM 1404 N PHE A 175 9.424 5.179 -1.563 1.00 0.16 N ATOM 1405 CA PHE A 175 9.169 6.424 -2.230 1.00 0.17 C ATOM 1406 C PHE A 175 10.436 7.043 -2.846 1.00 0.19 C ATOM 1407 O PHE A 175 11.240 7.648 -2.139 1.00 0.32 O ATOM 1408 CB PHE A 175 8.612 7.383 -1.207 1.00 0.30 C ATOM 1409 CG PHE A 175 7.632 6.748 -0.288 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.437 6.260 -0.767 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.918 6.620 1.051 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.540 5.655 0.071 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.024 6.017 1.897 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.831 5.533 1.404 1.00 0.15 C ATOM 0 H PHE A 175 10.008 5.269 -0.731 1.00 0.16 H new ATOM 0 HA PHE A 175 8.473 6.236 -3.048 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.433 7.799 -0.623 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.132 8.216 -1.721 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.205 6.356 -1.817 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.853 6.997 1.438 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.606 5.275 -0.317 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.254 5.921 2.948 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.125 5.057 2.069 1.00 0.15 H new ATOM 1424 N ASP A 176 10.585 6.933 -4.157 1.00 0.16 N ATOM 1425 CA ASP A 176 11.757 7.489 -4.852 1.00 0.20 C ATOM 1426 C ASP A 176 11.501 8.925 -5.285 1.00 0.19 C ATOM 1427 O ASP A 176 10.898 9.179 -6.328 1.00 0.20 O ATOM 1428 CB ASP A 176 12.120 6.647 -6.082 1.00 0.29 C ATOM 1429 CG ASP A 176 13.175 7.297 -6.964 1.00 0.40 C ATOM 1430 OD1 ASP A 176 12.996 7.297 -8.202 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.182 7.809 -6.431 1.00 0.68 O ATOM 0 H ASP A 176 9.915 6.466 -4.769 1.00 0.16 H new ATOM 0 HA ASP A 176 12.590 7.469 -4.149 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.481 5.672 -5.753 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.221 6.471 -6.672 1.00 0.29 H new ATOM 1436 N GLY A 177 11.943 9.864 -4.476 1.00 0.21 N ATOM 1437 CA GLY A 177 11.837 11.256 -4.854 1.00 0.23 C ATOM 1438 C GLY A 177 10.483 11.846 -4.566 1.00 0.23 C ATOM 1439 O GLY A 177 10.062 11.937 -3.413 1.00 0.27 O ATOM 0 H GLY A 177 12.372 9.693 -3.567 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.597 11.829 -4.322 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.050 11.354 -5.918 1.00 0.23 H new ATOM 1443 N ASP A 178 9.797 12.228 -5.626 1.00 0.22 N ATOM 1444 CA ASP A 178 8.497 12.865 -5.523 1.00 0.26 C ATOM 1445 C ASP A 178 7.499 11.893 -6.053 1.00 0.23 C ATOM 1446 O ASP A 178 6.336 12.214 -6.258 1.00 0.25 O ATOM 1447 CB ASP A 178 8.442 14.124 -6.375 1.00 0.34 C ATOM 1448 CG ASP A 178 7.433 15.139 -5.882 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.753 15.892 -4.938 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.332 15.220 -6.463 1.00 1.34 O ATOM 0 H ASP A 178 10.125 12.106 -6.584 1.00 0.22 H new ATOM 0 HA ASP A 178 8.298 13.141 -4.488 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.430 14.584 -6.394 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.198 13.849 -7.401 1.00 0.34 H new ATOM 1455 N HIS A 179 7.986 10.685 -6.280 1.00 0.19 N ATOM 1456 CA HIS A 179 7.172 9.625 -6.801 1.00 0.17 C ATOM 1457 C HIS A 179 7.441 8.316 -6.101 1.00 0.13 C ATOM 1458 O HIS A 179 8.460 8.141 -5.445 1.00 0.13 O ATOM 1459 CB HIS A 179 7.401 9.484 -8.309 1.00 0.22 C ATOM 1460 CG HIS A 179 8.789 9.096 -8.725 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.653 9.976 -9.330 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.452 7.916 -8.654 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.780 9.361 -9.613 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.693 8.106 -9.211 1.00 0.45 N ATOM 0 H HIS A 179 8.956 10.422 -6.105 1.00 0.19 H new ATOM 0 HA HIS A 179 6.129 9.882 -6.618 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.705 8.739 -8.695 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.151 10.432 -8.786 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.074 6.995 -8.236 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.636 9.809 -10.095 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.423 7.399 -9.299 1.00 0.45 H new ATOM 1473 N LEU A 180 6.496 7.405 -6.232 1.00 0.13 N ATOM 1474 CA LEU A 180 6.639 6.091 -5.640 1.00 0.12 C ATOM 1475 C LEU A 180 7.745 5.321 -6.307 1.00 0.14 C ATOM 1476 O LEU A 180 7.889 5.322 -7.531 1.00 0.22 O ATOM 1477 CB LEU A 180 5.345 5.300 -5.738 1.00 0.17 C ATOM 1478 CG LEU A 180 5.203 4.239 -4.666 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.468 4.865 -3.322 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.829 3.621 -4.705 1.00 0.20 C ATOM 0 H LEU A 180 5.624 7.551 -6.741 1.00 0.13 H new ATOM 0 HA LEU A 180 6.885 6.235 -4.588 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.502 5.988 -5.671 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.292 4.825 -6.718 1.00 0.17 H new ATOM 0 HG LEU A 180 5.926 3.444 -4.845 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.368 4.109 -2.543 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.478 5.274 -3.304 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.749 5.665 -3.145 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.749 2.862 -3.927 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.078 4.393 -4.537 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.665 3.161 -5.679 1.00 0.20 H new ATOM 1492 N ALA A 181 8.518 4.662 -5.476 1.00 0.12 N ATOM 1493 CA ALA A 181 9.668 3.947 -5.918 1.00 0.13 C ATOM 1494 C ALA A 181 9.328 2.520 -6.293 1.00 0.14 C ATOM 1495 O ALA A 181 9.617 2.064 -7.399 1.00 0.15 O ATOM 1496 CB ALA A 181 10.689 3.961 -4.818 1.00 0.13 C ATOM 0 H ALA A 181 8.356 4.613 -4.470 1.00 0.12 H new ATOM 0 HA ALA A 181 10.063 4.431 -6.811 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.577 3.417 -5.139 1.00 0.13 H new ATOM 0 HB2 ALA A 181 10.958 4.991 -4.585 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.274 3.485 -3.930 1.00 0.13 H new ATOM 1502 N THR A 182 8.708 1.826 -5.355 1.00 0.15 N ATOM 1503 CA THR A 182 8.420 0.417 -5.502 1.00 0.18 C ATOM 1504 C THR A 182 7.644 -0.081 -4.309 1.00 0.17 C ATOM 1505 O THR A 182 7.406 0.655 -3.355 1.00 0.16 O ATOM 1506 CB THR A 182 9.713 -0.414 -5.599 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.436 -1.730 -6.094 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.348 -0.507 -4.223 1.00 0.24 C ATOM 0 H THR A 182 8.392 2.226 -4.472 1.00 0.15 H new ATOM 0 HA THR A 182 7.841 0.301 -6.418 1.00 0.18 H new ATOM 0 HB THR A 182 10.397 0.075 -6.293 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.270 -2.241 -6.150 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.264 -1.094 -4.284 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.582 0.494 -3.862 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.654 -0.988 -3.534 1.00 0.24 H new ATOM 1516 N ILE A 183 7.287 -1.338 -4.386 1.00 0.20 N ATOM 1517 CA ILE A 183 6.604 -2.050 -3.342 1.00 0.18 C ATOM 1518 C ILE A 183 6.996 -3.509 -3.489 1.00 0.20 C ATOM 1519 O ILE A 183 6.844 -4.079 -4.566 1.00 0.28 O ATOM 1520 CB ILE A 183 5.090 -1.907 -3.466 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.692 -0.500 -3.075 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.390 -2.939 -2.610 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.420 0.407 -4.239 1.00 0.20 C ATOM 0 H ILE A 183 7.472 -1.912 -5.208 1.00 0.20 H new ATOM 0 HA ILE A 183 6.882 -1.649 -2.367 1.00 0.18 H new ATOM 0 HB ILE A 183 4.786 -2.082 -4.498 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.801 -0.547 -2.449 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.486 -0.065 -2.467 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.311 -2.823 -2.710 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.679 -3.938 -2.935 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.675 -2.800 -1.567 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.141 1.395 -3.873 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.316 0.487 -4.855 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.605 -0.002 -4.836 1.00 0.20 H new ATOM 1535 N VAL A 184 7.532 -4.101 -2.446 1.00 0.21 N ATOM 1536 CA VAL A 184 8.136 -5.418 -2.564 1.00 0.24 C ATOM 1537 C VAL A 184 7.613 -6.392 -1.544 1.00 0.23 C ATOM 1538 O VAL A 184 7.749 -6.140 -0.358 1.00 0.22 O ATOM 1539 CB VAL A 184 9.644 -5.320 -2.355 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.266 -6.700 -2.315 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.260 -4.462 -3.439 1.00 0.34 C ATOM 0 H VAL A 184 7.565 -3.698 -1.509 1.00 0.21 H new ATOM 0 HA VAL A 184 7.885 -5.777 -3.562 1.00 0.24 H new ATOM 0 HB VAL A 184 9.842 -4.845 -1.394 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.342 -6.610 -2.165 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.832 -7.271 -1.494 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.073 -7.214 -3.257 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.337 -4.397 -3.283 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.061 -4.908 -4.413 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.827 -3.463 -3.402 1.00 0.34 H new ATOM 1551 N ASN A 185 7.082 -7.526 -1.997 1.00 0.29 N ATOM 1552 CA ASN A 185 6.694 -8.589 -1.076 1.00 0.32 C ATOM 1553 C ASN A 185 7.917 -9.026 -0.316 1.00 0.33 C ATOM 1554 O ASN A 185 8.717 -9.822 -0.787 1.00 0.40 O ATOM 1555 CB ASN A 185 6.080 -9.790 -1.804 1.00 0.44 C ATOM 1556 CG ASN A 185 4.756 -9.478 -2.471 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.010 -8.605 -2.030 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.455 -10.199 -3.540 1.00 1.57 N ATOM 0 H ASN A 185 6.913 -7.730 -2.982 1.00 0.29 H new ATOM 0 HA ASN A 185 5.932 -8.201 -0.400 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.783 -10.147 -2.557 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.937 -10.603 -1.092 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.575 -10.040 -4.031 1.00 1.57 H new ATOM 0 HD22 ASN A 185 5.103 -10.913 -3.872 1.00 1.57 H new ATOM 1565 N MET A 186 8.010 -8.483 0.877 1.00 0.31 N ATOM 1566 CA MET A 186 9.180 -8.538 1.730 1.00 0.36 C ATOM 1567 C MET A 186 9.590 -9.929 2.061 1.00 0.43 C ATOM 1568 O MET A 186 10.707 -10.181 2.511 1.00 0.53 O ATOM 1569 CB MET A 186 8.858 -7.785 2.994 1.00 0.36 C ATOM 1570 CG MET A 186 9.024 -6.305 2.832 1.00 0.34 C ATOM 1571 SD MET A 186 10.728 -5.856 2.435 1.00 0.94 S ATOM 1572 CE MET A 186 11.600 -6.486 3.868 1.00 1.42 C ATOM 0 H MET A 186 7.238 -7.967 1.300 1.00 0.31 H new ATOM 0 HA MET A 186 10.019 -8.091 1.197 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.833 -8.003 3.293 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.506 -8.135 3.798 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.362 -5.950 2.042 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.721 -5.803 3.751 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.421 -5.814 4.119 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.914 -6.551 4.712 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.997 -7.477 3.646 1.00 1.42 H new ATOM 1582 N GLU A 187 8.684 -10.820 1.840 1.00 0.43 N ATOM 1583 CA GLU A 187 8.901 -12.174 2.147 1.00 0.51 C ATOM 1584 C GLU A 187 9.873 -12.780 1.167 1.00 0.59 C ATOM 1585 O GLU A 187 10.781 -13.524 1.529 1.00 0.68 O ATOM 1586 CB GLU A 187 7.573 -12.866 2.100 1.00 0.50 C ATOM 1587 CG GLU A 187 6.466 -11.976 2.628 1.00 0.42 C ATOM 1588 CD GLU A 187 5.393 -12.715 3.401 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.722 -12.077 4.243 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.223 -13.932 3.186 1.00 0.67 O ATOM 0 H GLU A 187 7.769 -10.618 1.438 1.00 0.43 H new ATOM 0 HA GLU A 187 9.338 -12.284 3.140 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.349 -13.157 1.074 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.617 -13.782 2.689 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.904 -11.214 3.273 1.00 0.42 H new ATOM 0 HG3 GLU A 187 6.002 -11.456 1.790 1.00 0.42 H new ATOM 1597 N ASN A 188 9.666 -12.430 -0.075 1.00 0.58 N ATOM 1598 CA ASN A 188 10.534 -12.884 -1.149 1.00 0.67 C ATOM 1599 C ASN A 188 11.515 -11.804 -1.585 1.00 0.64 C ATOM 1600 O ASN A 188 12.612 -12.108 -2.053 1.00 0.74 O ATOM 1601 CB ASN A 188 9.709 -13.380 -2.343 1.00 0.73 C ATOM 1602 CG ASN A 188 10.563 -13.723 -3.553 1.00 1.45 C ATOM 1603 OD1 ASN A 188 10.828 -12.869 -4.398 1.00 2.36 O ATOM 1604 ND2 ASN A 188 10.990 -14.972 -3.651 1.00 1.95 N ATOM 0 H ASN A 188 8.900 -11.828 -0.377 1.00 0.58 H new ATOM 0 HA ASN A 188 11.120 -13.717 -0.760 1.00 0.67 H new ATOM 0 HB2 ASN A 188 9.141 -14.261 -2.044 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.985 -12.614 -2.621 1.00 0.73 H new ATOM 0 HD21 ASN A 188 11.560 -15.255 -4.448 1.00 1.95 H new ATOM 0 HD22 ASN A 188 10.749 -15.651 -2.929 1.00 1.95 H new ATOM 1611 N ASN A 189 11.110 -10.547 -1.380 1.00 0.53 N ATOM 1612 CA ASN A 189 11.917 -9.362 -1.650 1.00 0.52 C ATOM 1613 C ASN A 189 12.731 -9.404 -2.950 1.00 0.61 C ATOM 1614 O ASN A 189 13.773 -8.750 -3.056 1.00 0.71 O ATOM 1615 CB ASN A 189 12.794 -9.075 -0.438 1.00 0.59 C ATOM 1616 CG ASN A 189 13.914 -10.084 -0.216 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.750 -11.063 0.516 1.00 1.80 O ATOM 1618 ND2 ASN A 189 15.060 -9.853 -0.835 1.00 1.74 N ATOM 0 H ASN A 189 10.186 -10.324 -1.011 1.00 0.53 H new ATOM 0 HA ASN A 189 11.220 -8.541 -1.818 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.232 -8.083 -0.549 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.165 -9.048 0.452 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.843 -10.495 -0.714 1.00 1.74 H new ATOM 0 HD22 ASN A 189 15.160 -9.033 -1.433 1.00 1.74 H new