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 180:sc= 0 USER MOD Set 1.2: A 174 THR OG1 : rot -13:sc= 0.975 USER MOD Set 2.1: A 139 MET CE :methyl -167:sc= -1.24 (180deg=-1.04) USER MOD Set 2.2: A 146 THR OG1 : rot 119:sc= -1.74 USER MOD Set 3.1: A 122 ASN : amide:sc= 0.0655 K(o=-0.47,f=-1) USER MOD Set 3.2: A 126 LYS NZ :NH3+ 142:sc= -0.54 (180deg=-2.05!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 120 SER OG : rot -90:sc= 0.0576 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 138:sc= -0.938 (180deg=-3.53!) USER MOD Single : A 131 THR OG1 : rot -30:sc= 0.228 USER MOD Single : A 132 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 133 TYR OH : rot 91:sc= -7.63! USER MOD Single : A 135 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.22) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl 177:sc= -2.85! (180deg=-2.89!) USER MOD Single : A 179 HIS : no HE2:sc= 0.918 K(o=0.92,f=-3.9!) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 185 ASN : amide:sc= -0.188 K(o=-0.19,f=-3.3!) USER MOD Single : A 186 MET CE :methyl 160:sc= -2.5! (180deg=-3.96!) USER MOD Single : A 188 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 189 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 2.991 7.815 -8.191 1.00 0.27 N ATOM 468 CA THR A 118 3.916 8.909 -8.047 1.00 0.26 C ATOM 469 C THR A 118 3.511 9.802 -6.902 1.00 0.25 C ATOM 470 O THR A 118 2.532 10.548 -6.979 1.00 0.32 O ATOM 471 CB THR A 118 4.051 9.717 -9.345 1.00 0.30 C ATOM 472 OG1 THR A 118 4.762 8.957 -10.332 1.00 0.32 O ATOM 473 CG2 THR A 118 4.727 11.076 -9.135 1.00 0.32 C ATOM 0 HA THR A 118 4.894 8.482 -7.826 1.00 0.26 H new ATOM 0 HB THR A 118 3.039 9.919 -9.696 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.840 9.482 -11.156 1.00 0.32 H new ATOM 0 HG21 THR A 118 4.794 11.600 -10.088 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.140 11.670 -8.435 1.00 0.32 H new ATOM 0 HG23 THR A 118 5.729 10.926 -8.733 1.00 0.32 H new ATOM 481 N ILE A 119 4.251 9.667 -5.822 1.00 0.19 N ATOM 482 CA ILE A 119 3.998 10.394 -4.624 1.00 0.18 C ATOM 483 C ILE A 119 5.299 10.875 -4.019 1.00 0.19 C ATOM 484 O ILE A 119 6.377 10.403 -4.349 1.00 0.20 O ATOM 485 CB ILE A 119 3.385 9.493 -3.586 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.463 8.645 -3.013 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.337 8.617 -4.141 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.093 8.154 -1.699 1.00 0.17 C ATOM 0 H ILE A 119 5.052 9.038 -5.764 1.00 0.19 H new ATOM 0 HA ILE A 119 3.339 11.222 -4.884 1.00 0.18 H new ATOM 0 HB ILE A 119 2.916 10.122 -2.829 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.661 7.804 -3.677 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.386 9.221 -2.944 1.00 0.14 H new ATOM 0 HG21 ILE A 119 1.930 7.989 -3.348 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.540 9.227 -4.566 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.765 7.986 -4.920 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.898 7.536 -1.301 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.919 8.998 -1.031 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.183 7.559 -1.776 1.00 0.17 H new ATOM 500 N SER A 120 5.165 11.670 -3.015 1.00 0.21 N ATOM 501 CA SER A 120 6.307 12.332 -2.422 1.00 0.28 C ATOM 502 C SER A 120 6.404 11.986 -0.943 1.00 0.28 C ATOM 503 O SER A 120 5.535 11.290 -0.414 1.00 0.25 O ATOM 504 CB SER A 120 6.219 13.844 -2.646 1.00 0.36 C ATOM 505 OG SER A 120 4.924 14.336 -2.340 1.00 1.29 O ATOM 0 H SER A 120 4.272 11.888 -2.573 1.00 0.21 H new ATOM 0 HA SER A 120 7.218 11.980 -2.906 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.958 14.349 -2.025 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.462 14.075 -3.683 1.00 0.36 H new ATOM 0 HG SER A 120 4.364 14.304 -3.143 1.00 1.29 H new ATOM 511 N LYS A 121 7.448 12.461 -0.284 1.00 0.35 N ATOM 512 CA LYS A 121 7.705 12.093 1.110 1.00 0.40 C ATOM 513 C LYS A 121 6.514 12.407 2.023 1.00 0.36 C ATOM 514 O LYS A 121 6.141 11.592 2.863 1.00 0.38 O ATOM 515 CB LYS A 121 8.972 12.781 1.616 1.00 0.50 C ATOM 516 CG LYS A 121 10.232 12.325 0.893 1.00 1.34 C ATOM 517 CD LYS A 121 11.454 13.126 1.317 1.00 1.71 C ATOM 518 CE LYS A 121 11.787 12.924 2.787 1.00 2.46 C ATOM 519 NZ LYS A 121 12.978 13.712 3.199 1.00 3.26 N ATOM 0 H LYS A 121 8.133 13.101 -0.685 1.00 0.35 H new ATOM 0 HA LYS A 121 7.852 11.013 1.140 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.864 13.859 1.499 1.00 0.50 H new ATOM 0 HB3 LYS A 121 9.082 12.586 2.683 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.403 11.268 1.095 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.089 12.425 -0.183 1.00 1.34 H new ATOM 0 HD2 LYS A 121 12.309 12.832 0.708 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.277 14.185 1.128 1.00 1.71 H new ATOM 0 HE2 LYS A 121 10.931 13.214 3.396 1.00 2.46 H new ATOM 0 HE3 LYS A 121 11.969 11.866 2.976 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 13.172 13.547 4.207 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.801 13.418 2.635 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 12.796 14.724 3.043 1.00 3.26 H new ATOM 533 N ASN A 122 5.913 13.576 1.863 1.00 0.37 N ATOM 534 CA ASN A 122 4.733 13.927 2.642 1.00 0.37 C ATOM 535 C ASN A 122 3.499 13.360 1.992 1.00 0.30 C ATOM 536 O ASN A 122 2.463 13.209 2.640 1.00 0.29 O ATOM 537 CB ASN A 122 4.589 15.442 2.790 1.00 0.48 C ATOM 538 CG ASN A 122 3.418 15.841 3.678 1.00 1.22 C ATOM 539 OD1 ASN A 122 2.294 16.021 3.204 1.00 2.17 O ATOM 540 ND2 ASN A 122 3.674 15.995 4.966 1.00 1.64 N ATOM 0 H ASN A 122 6.219 14.294 1.206 1.00 0.37 H new ATOM 0 HA ASN A 122 4.852 13.500 3.638 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.510 15.851 3.206 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.459 15.888 1.804 1.00 0.48 H new ATOM 0 HD21 ASN A 122 2.928 16.272 5.605 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.617 15.837 5.321 1.00 1.64 H new ATOM 547 N GLU A 123 3.603 13.005 0.718 1.00 0.27 N ATOM 548 CA GLU A 123 2.467 12.495 0.032 1.00 0.25 C ATOM 549 C GLU A 123 2.086 11.171 0.593 1.00 0.21 C ATOM 550 O GLU A 123 0.953 10.781 0.551 1.00 0.26 O ATOM 551 CB GLU A 123 2.661 12.421 -1.454 1.00 0.27 C ATOM 552 CG GLU A 123 1.780 13.404 -2.175 1.00 0.30 C ATOM 553 CD GLU A 123 1.954 13.371 -3.674 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.032 13.781 -4.154 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.010 12.955 -4.375 1.00 0.50 O ATOM 0 H GLU A 123 4.456 13.066 0.163 1.00 0.27 H new ATOM 0 HA GLU A 123 1.651 13.200 0.191 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.705 12.621 -1.696 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.441 11.411 -1.801 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.738 13.195 -1.932 1.00 0.30 H new ATOM 0 HG3 GLU A 123 1.996 14.409 -1.813 1.00 0.30 H new ATOM 562 N MET A 124 3.012 10.506 1.190 1.00 0.19 N ATOM 563 CA MET A 124 2.675 9.251 1.791 1.00 0.20 C ATOM 564 C MET A 124 2.142 9.477 3.176 1.00 0.17 C ATOM 565 O MET A 124 1.311 8.723 3.662 1.00 0.16 O ATOM 566 CB MET A 124 3.851 8.281 1.800 1.00 0.27 C ATOM 567 CG MET A 124 5.068 8.745 2.601 1.00 1.21 C ATOM 568 SD MET A 124 4.863 8.565 4.387 1.00 2.28 S ATOM 569 CE MET A 124 6.456 9.125 4.982 1.00 3.06 C ATOM 0 H MET A 124 3.986 10.794 1.278 1.00 0.19 H new ATOM 0 HA MET A 124 1.898 8.785 1.185 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.512 7.327 2.204 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.160 8.100 0.771 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.941 8.175 2.284 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.269 9.791 2.369 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.315 9.757 5.859 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.068 8.263 5.250 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.956 9.696 4.200 1.00 3.06 H new ATOM 579 N VAL A 125 2.587 10.563 3.770 1.00 0.20 N ATOM 580 CA VAL A 125 2.237 10.895 5.129 1.00 0.22 C ATOM 581 C VAL A 125 0.755 11.126 5.276 1.00 0.21 C ATOM 582 O VAL A 125 0.168 10.910 6.324 1.00 0.23 O ATOM 583 CB VAL A 125 2.997 12.144 5.575 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.201 12.926 6.606 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.357 11.748 6.107 1.00 0.32 C ATOM 0 H VAL A 125 3.203 11.241 3.321 1.00 0.20 H new ATOM 0 HA VAL A 125 2.515 10.051 5.760 1.00 0.22 H new ATOM 0 HB VAL A 125 3.139 12.800 4.716 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.764 13.810 6.907 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.248 13.232 6.174 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.019 12.298 7.478 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.897 12.640 6.424 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.234 11.077 6.957 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.921 11.242 5.323 1.00 0.32 H new ATOM 595 N LYS A 126 0.180 11.628 4.237 1.00 0.20 N ATOM 596 CA LYS A 126 -1.252 11.714 4.149 1.00 0.20 C ATOM 597 C LYS A 126 -1.836 10.371 3.766 1.00 0.16 C ATOM 598 O LYS A 126 -2.857 9.980 4.285 1.00 0.19 O ATOM 599 CB LYS A 126 -1.597 12.725 3.099 1.00 0.24 C ATOM 600 CG LYS A 126 -1.052 12.283 1.772 1.00 0.32 C ATOM 601 CD LYS A 126 -0.237 13.297 1.044 1.00 0.39 C ATOM 602 CE LYS A 126 -0.921 14.633 0.884 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.548 15.598 1.955 1.00 1.51 N ATOM 0 H LYS A 126 0.679 11.991 3.425 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.663 12.008 5.115 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.679 12.844 3.037 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.184 13.697 3.367 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.440 11.394 1.928 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.887 11.988 1.136 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.703 13.443 1.576 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.012 12.907 0.057 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.663 15.056 -0.087 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -2.001 14.487 0.891 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -0.460 16.551 1.548 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.284 15.602 2.690 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 0.360 15.316 2.376 1.00 1.51 H new ATOM 617 N LEU A 127 -1.171 9.674 2.851 1.00 0.15 N ATOM 618 CA LEU A 127 -1.676 8.446 2.300 1.00 0.19 C ATOM 619 C LEU A 127 -1.898 7.386 3.297 1.00 0.20 C ATOM 620 O LEU A 127 -2.868 6.683 3.154 1.00 0.24 O ATOM 621 CB LEU A 127 -0.809 7.942 1.196 1.00 0.25 C ATOM 622 CG LEU A 127 -1.345 8.372 -0.155 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.266 9.015 -1.017 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.015 7.202 -0.838 1.00 0.40 C ATOM 0 H LEU A 127 -0.265 9.955 2.477 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.656 8.702 1.898 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.206 8.318 1.325 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.754 6.854 1.240 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.098 9.145 -0.001 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.693 9.308 -1.976 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.127 9.896 -0.510 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.541 8.301 -1.182 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.398 7.518 -1.808 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.291 6.399 -0.977 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.840 6.844 -0.221 1.00 0.40 H new ATOM 636 N LEU A 128 -1.068 7.232 4.304 1.00 0.18 N ATOM 637 CA LEU A 128 -1.423 6.232 5.266 1.00 0.24 C ATOM 638 C LEU A 128 -2.729 6.633 5.950 1.00 0.26 C ATOM 639 O LEU A 128 -3.632 5.818 6.124 1.00 0.32 O ATOM 640 CB LEU A 128 -0.319 5.868 6.290 1.00 0.28 C ATOM 641 CG LEU A 128 0.610 6.950 6.819 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.803 7.088 5.943 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.087 8.243 6.903 1.00 0.21 C ATOM 0 H LEU A 128 -0.204 7.748 4.468 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.558 5.305 4.708 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.811 5.413 7.150 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.305 5.098 5.835 1.00 0.28 H new ATOM 0 HG LEU A 128 0.930 6.654 7.818 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.456 7.867 6.337 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.344 6.142 5.913 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.485 7.357 4.935 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.597 9.001 7.284 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.435 8.534 5.912 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -0.940 8.153 7.576 1.00 0.21 H new ATOM 655 N GLU A 129 -2.857 7.917 6.238 1.00 0.23 N ATOM 656 CA GLU A 129 -4.052 8.460 6.847 1.00 0.28 C ATOM 657 C GLU A 129 -5.195 8.289 5.871 1.00 0.25 C ATOM 658 O GLU A 129 -6.362 8.147 6.233 1.00 0.31 O ATOM 659 CB GLU A 129 -3.864 9.951 7.091 1.00 0.32 C ATOM 660 CG GLU A 129 -2.505 10.305 7.646 1.00 0.44 C ATOM 661 CD GLU A 129 -2.371 11.782 7.959 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.265 12.134 9.153 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.390 12.604 7.017 1.00 2.23 O ATOM 0 H GLU A 129 -2.132 8.611 6.055 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.253 7.950 7.789 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.015 10.486 6.154 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.632 10.297 7.783 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.325 9.727 8.553 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.737 10.018 6.928 1.00 0.44 H new ATOM 670 N ALA A 130 -4.799 8.296 4.613 1.00 0.21 N ATOM 671 CA ALA A 130 -5.692 8.365 3.501 1.00 0.25 C ATOM 672 C ALA A 130 -6.023 6.972 2.974 1.00 0.28 C ATOM 673 O ALA A 130 -6.872 6.806 2.098 1.00 0.33 O ATOM 674 CB ALA A 130 -5.028 9.206 2.415 1.00 0.26 C ATOM 0 H ALA A 130 -3.817 8.252 4.342 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.632 8.822 3.811 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.690 9.275 1.552 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.829 10.206 2.800 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.090 8.739 2.116 1.00 0.26 H new ATOM 680 N THR A 131 -5.341 5.973 3.519 1.00 0.26 N ATOM 681 CA THR A 131 -5.443 4.617 3.030 1.00 0.29 C ATOM 682 C THR A 131 -5.890 3.698 4.154 1.00 0.29 C ATOM 683 O THR A 131 -6.073 2.496 3.965 1.00 0.33 O ATOM 684 CB THR A 131 -4.103 4.137 2.441 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.280 2.913 1.716 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.096 3.937 3.548 1.00 0.28 C ATOM 0 H THR A 131 -4.706 6.086 4.309 1.00 0.26 H new ATOM 0 HA THR A 131 -6.185 4.592 2.231 1.00 0.29 H new ATOM 0 HB THR A 131 -3.735 4.898 1.753 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.013 2.399 2.115 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.151 3.598 3.123 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.940 4.880 4.073 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.469 3.189 4.248 1.00 0.28 H new ATOM 694 N GLN A 132 -6.041 4.309 5.326 1.00 0.25 N ATOM 695 CA GLN A 132 -6.411 3.630 6.561 1.00 0.25 C ATOM 696 C GLN A 132 -5.253 2.830 7.142 1.00 0.21 C ATOM 697 O GLN A 132 -5.386 1.652 7.468 1.00 0.23 O ATOM 698 CB GLN A 132 -7.633 2.729 6.391 1.00 0.32 C ATOM 699 CG GLN A 132 -8.912 3.467 6.033 1.00 0.41 C ATOM 700 CD GLN A 132 -10.086 2.528 5.835 1.00 1.38 C ATOM 701 OE1 GLN A 132 -11.001 2.812 5.062 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.070 1.399 6.530 1.00 2.15 N ATOM 0 H GLN A 132 -5.906 5.313 5.444 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.672 4.421 7.264 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.422 1.994 5.614 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -7.794 2.177 7.317 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.150 4.180 6.822 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.753 4.043 5.121 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -9.294 1.199 7.161 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.834 0.730 6.434 1.00 2.15 H new ATOM 711 N TYR A 133 -4.134 3.502 7.312 1.00 0.17 N ATOM 712 CA TYR A 133 -2.938 2.906 7.830 1.00 0.15 C ATOM 713 C TYR A 133 -2.198 3.967 8.592 1.00 0.15 C ATOM 714 O TYR A 133 -2.231 5.133 8.249 1.00 0.18 O ATOM 715 CB TYR A 133 -2.070 2.270 6.734 1.00 0.16 C ATOM 716 CG TYR A 133 -0.577 2.588 6.793 1.00 0.17 C ATOM 717 CD1 TYR A 133 0.107 2.428 7.986 1.00 0.15 C ATOM 718 CD2 TYR A 133 0.155 3.067 5.691 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.437 2.725 8.090 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.482 3.344 5.797 1.00 0.25 C ATOM 721 CZ TYR A 133 2.134 3.149 6.806 1.00 0.19 C ATOM 722 OH TYR A 133 3.439 3.485 7.101 1.00 0.27 O ATOM 0 H TYR A 133 -4.037 4.492 7.088 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.199 2.080 8.492 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.193 1.188 6.783 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.451 2.591 5.765 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.422 2.061 8.853 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.345 3.217 4.746 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.964 2.662 9.031 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.986 3.761 4.937 1.00 0.25 H new ATOM 0 HH TYR A 133 4.010 2.694 7.008 1.00 0.27 H new ATOM 732 N ARG A 134 -1.600 3.578 9.671 1.00 0.15 N ATOM 733 CA ARG A 134 -0.933 4.504 10.525 1.00 0.18 C ATOM 734 C ARG A 134 0.254 3.793 11.139 1.00 0.19 C ATOM 735 O ARG A 134 0.306 2.569 11.080 1.00 0.18 O ATOM 736 CB ARG A 134 -1.909 4.951 11.595 1.00 0.18 C ATOM 737 CG ARG A 134 -3.331 5.136 11.081 1.00 0.22 C ATOM 738 CD ARG A 134 -4.075 3.815 11.005 1.00 0.25 C ATOM 739 NE ARG A 134 -4.529 3.341 12.310 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.907 2.088 12.554 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.948 1.200 11.570 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.251 1.726 13.782 1.00 0.49 N ATOM 0 H ARG A 134 -1.561 2.608 9.985 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.584 5.381 9.980 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.915 4.216 12.400 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.561 5.891 12.024 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.869 5.820 11.737 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.304 5.596 10.093 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.935 3.926 10.345 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.425 3.063 10.557 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.558 4.010 13.080 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.689 1.476 10.623 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.238 0.241 11.760 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.226 2.408 14.540 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.541 0.766 13.968 1.00 0.49 H new ATOM 756 N GLN A 135 1.195 4.537 11.705 1.00 0.22 N ATOM 757 CA GLN A 135 2.394 3.943 12.276 1.00 0.25 C ATOM 758 C GLN A 135 2.110 2.755 13.136 1.00 0.24 C ATOM 759 O GLN A 135 1.124 2.702 13.876 1.00 0.30 O ATOM 760 CB GLN A 135 3.156 4.952 13.118 1.00 0.35 C ATOM 761 CG GLN A 135 4.334 4.339 13.853 1.00 0.88 C ATOM 762 CD GLN A 135 5.422 5.336 14.198 1.00 1.36 C ATOM 763 OE1 GLN A 135 6.600 4.986 14.262 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.038 6.580 14.431 1.00 1.96 N ATOM 0 H GLN A 135 1.150 5.553 11.780 1.00 0.22 H new ATOM 0 HA GLN A 135 2.988 3.622 11.421 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.514 5.757 12.476 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.476 5.401 13.842 1.00 0.35 H new ATOM 0 HG2 GLN A 135 3.976 3.873 14.771 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.761 3.546 13.239 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.051 6.829 14.368 1.00 1.96 H new ATOM 0 HE22 GLN A 135 5.729 7.290 14.674 1.00 1.96 H new ATOM 773 N VAL A 136 3.023 1.817 13.069 1.00 0.23 N ATOM 774 CA VAL A 136 2.820 0.578 13.714 1.00 0.24 C ATOM 775 C VAL A 136 4.069 0.081 14.432 1.00 0.27 C ATOM 776 O VAL A 136 5.199 0.393 14.045 1.00 0.27 O ATOM 777 CB VAL A 136 2.316 -0.454 12.682 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.641 -1.881 13.053 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.836 -0.291 12.469 1.00 0.20 C ATOM 0 H VAL A 136 3.908 1.904 12.570 1.00 0.23 H new ATOM 0 HA VAL A 136 2.066 0.716 14.489 1.00 0.24 H new ATOM 0 HB VAL A 136 2.848 -0.251 11.753 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.258 -2.553 12.285 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.722 -1.999 13.133 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.178 -2.123 14.010 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.491 -1.023 11.739 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.313 -0.445 13.413 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.630 0.714 12.100 1.00 0.20 H new ATOM 789 N SER A 137 3.838 -0.680 15.488 1.00 0.31 N ATOM 790 CA SER A 137 4.890 -1.364 16.212 1.00 0.35 C ATOM 791 C SER A 137 5.643 -2.321 15.324 1.00 0.33 C ATOM 792 O SER A 137 6.869 -2.289 15.225 1.00 0.35 O ATOM 793 CB SER A 137 4.230 -2.174 17.299 1.00 0.39 C ATOM 794 OG SER A 137 3.859 -1.371 18.407 1.00 0.73 O ATOM 0 H SER A 137 2.905 -0.840 15.869 1.00 0.31 H new ATOM 0 HA SER A 137 5.591 -0.625 16.600 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.346 -2.668 16.897 1.00 0.39 H new ATOM 0 HB3 SER A 137 4.910 -2.958 17.631 1.00 0.39 H new ATOM 0 HG SER A 137 3.433 -1.931 19.089 1.00 0.73 H new ATOM 800 N LYS A 138 4.877 -3.140 14.655 1.00 0.30 N ATOM 801 CA LYS A 138 5.393 -4.164 13.797 1.00 0.30 C ATOM 802 C LYS A 138 4.333 -4.535 12.804 1.00 0.27 C ATOM 803 O LYS A 138 3.235 -4.966 13.156 1.00 0.28 O ATOM 804 CB LYS A 138 5.797 -5.359 14.602 1.00 0.35 C ATOM 805 CG LYS A 138 4.696 -5.831 15.499 1.00 0.37 C ATOM 806 CD LYS A 138 5.046 -7.151 16.166 1.00 0.43 C ATOM 807 CE LYS A 138 5.389 -8.206 15.126 1.00 0.44 C ATOM 808 NZ LYS A 138 5.797 -9.497 15.739 1.00 0.51 N ATOM 0 H LYS A 138 3.858 -3.111 14.694 1.00 0.30 H new ATOM 0 HA LYS A 138 6.275 -3.798 13.272 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.088 -6.167 13.930 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.673 -5.112 15.202 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.499 -5.078 16.262 1.00 0.37 H new ATOM 0 HG3 LYS A 138 3.779 -5.946 14.921 1.00 0.37 H new ATOM 0 HD2 LYS A 138 5.891 -7.010 16.840 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.207 -7.491 16.773 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.526 -8.370 14.481 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.195 -7.838 14.492 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.020 -10.182 14.989 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.637 -9.349 16.334 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.019 -9.865 16.324 1.00 0.51 H new ATOM 822 N MET A 139 4.642 -4.309 11.572 1.00 0.25 N ATOM 823 CA MET A 139 3.656 -4.370 10.550 1.00 0.25 C ATOM 824 C MET A 139 3.338 -5.803 10.150 1.00 0.26 C ATOM 825 O MET A 139 4.067 -6.484 9.431 1.00 0.30 O ATOM 826 CB MET A 139 4.143 -3.529 9.384 1.00 0.33 C ATOM 827 CG MET A 139 5.172 -4.198 8.501 1.00 0.70 C ATOM 828 SD MET A 139 6.549 -4.946 9.421 1.00 2.16 S ATOM 829 CE MET A 139 7.643 -3.554 9.691 1.00 2.71 C ATOM 0 H MET A 139 5.581 -4.078 11.247 1.00 0.25 H new ATOM 0 HA MET A 139 2.712 -3.966 10.916 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.285 -3.252 8.771 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.567 -2.604 9.775 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.682 -4.970 7.907 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.571 -3.463 7.802 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.613 -3.915 10.032 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.768 -3.003 8.759 1.00 2.71 H new ATOM 0 HE3 MET A 139 7.214 -2.896 10.447 1.00 2.71 H new ATOM 839 N THR A 140 2.250 -6.271 10.678 1.00 0.25 N ATOM 840 CA THR A 140 1.615 -7.436 10.141 1.00 0.26 C ATOM 841 C THR A 140 0.170 -7.468 10.588 1.00 0.27 C ATOM 842 O THR A 140 -0.173 -7.985 11.652 1.00 0.30 O ATOM 843 CB THR A 140 2.369 -8.688 10.616 1.00 0.31 C ATOM 844 OG1 THR A 140 1.676 -9.889 10.248 1.00 0.35 O ATOM 845 CG2 THR A 140 2.602 -8.635 12.121 1.00 0.34 C ATOM 0 H THR A 140 1.780 -5.862 11.485 1.00 0.25 H new ATOM 0 HA THR A 140 1.638 -7.412 9.052 1.00 0.26 H new ATOM 0 HB THR A 140 3.338 -8.703 10.118 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.181 -10.668 10.563 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.137 -9.530 12.438 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.193 -7.753 12.367 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.643 -8.584 12.636 1.00 0.34 H new ATOM 853 N ARG A 141 -0.678 -6.951 9.726 1.00 0.25 N ATOM 854 CA ARG A 141 -2.114 -7.020 9.861 1.00 0.28 C ATOM 855 C ARG A 141 -2.707 -6.979 8.479 1.00 0.30 C ATOM 856 O ARG A 141 -1.981 -6.748 7.527 1.00 0.45 O ATOM 857 CB ARG A 141 -2.601 -5.843 10.705 1.00 0.30 C ATOM 858 CG ARG A 141 -1.900 -5.821 12.029 1.00 0.38 C ATOM 859 CD ARG A 141 -1.004 -4.622 12.192 1.00 1.01 C ATOM 860 NE ARG A 141 -1.603 -3.612 13.063 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.997 -3.067 14.118 1.00 1.74 C ATOM 862 NH1 ARG A 141 0.201 -3.490 14.503 1.00 2.38 N ATOM 863 NH2 ARG A 141 -1.612 -2.123 14.818 1.00 1.97 N ATOM 0 H ARG A 141 -0.376 -6.456 8.887 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.420 -7.939 10.361 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.419 -4.908 10.175 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.678 -5.918 10.858 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -2.641 -5.827 12.828 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.308 -6.730 12.137 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -0.046 -4.937 12.606 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.800 -4.185 11.215 1.00 1.01 H new ATOM 0 HE ARG A 141 -2.551 -3.303 12.848 1.00 1.20 H new ATOM 0 HH11 ARG A 141 0.667 -4.239 13.990 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.656 -3.066 15.312 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -2.547 -1.816 14.549 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -1.150 -1.705 15.626 1.00 1.97 H new ATOM 877 N PRO A 142 -4.000 -7.189 8.298 1.00 0.36 N ATOM 878 CA PRO A 142 -4.603 -6.813 7.051 1.00 0.39 C ATOM 879 C PRO A 142 -4.910 -5.321 7.053 1.00 0.32 C ATOM 880 O PRO A 142 -5.770 -4.852 7.801 1.00 0.37 O ATOM 881 CB PRO A 142 -5.894 -7.632 6.990 1.00 0.53 C ATOM 882 CG PRO A 142 -5.958 -8.423 8.267 1.00 0.79 C ATOM 883 CD PRO A 142 -4.947 -7.823 9.211 1.00 0.55 C ATOM 0 HA PRO A 142 -3.957 -7.001 6.193 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.763 -6.981 6.893 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.893 -8.293 6.124 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.959 -8.381 8.697 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -5.735 -9.474 8.081 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -5.403 -7.101 9.889 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.468 -8.582 9.829 1.00 0.55 H new ATOM 891 N GLY A 143 -4.192 -4.582 6.227 1.00 0.27 N ATOM 892 CA GLY A 143 -4.509 -3.178 6.017 1.00 0.27 C ATOM 893 C GLY A 143 -3.802 -2.212 6.965 1.00 0.26 C ATOM 894 O GLY A 143 -3.994 -1.004 6.858 1.00 0.38 O ATOM 0 H GLY A 143 -3.392 -4.925 5.694 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.252 -2.912 4.992 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.586 -3.044 6.121 1.00 0.27 H new ATOM 898 N GLU A 144 -2.973 -2.708 7.882 1.00 0.17 N ATOM 899 CA GLU A 144 -2.272 -1.815 8.808 1.00 0.14 C ATOM 900 C GLU A 144 -0.781 -1.969 8.628 1.00 0.11 C ATOM 901 O GLU A 144 -0.265 -3.087 8.614 1.00 0.12 O ATOM 902 CB GLU A 144 -2.664 -2.118 10.245 1.00 0.18 C ATOM 903 CG GLU A 144 -4.168 -2.092 10.471 1.00 0.40 C ATOM 904 CD GLU A 144 -4.541 -2.191 11.931 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.208 -1.273 12.442 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.169 -3.192 12.576 1.00 1.44 O ATOM 0 H GLU A 144 -2.772 -3.700 8.005 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.556 -0.786 8.589 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.278 -3.099 10.522 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.191 -1.391 10.905 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.577 -1.170 10.058 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.627 -2.917 9.926 1.00 0.40 H new ATOM 913 N PHE A 145 -0.075 -0.854 8.516 1.00 0.10 N ATOM 914 CA PHE A 145 1.302 -0.899 8.046 1.00 0.10 C ATOM 915 C PHE A 145 2.206 -0.139 8.993 1.00 0.09 C ATOM 916 O PHE A 145 1.735 0.503 9.914 1.00 0.10 O ATOM 917 CB PHE A 145 1.444 -0.294 6.637 1.00 0.16 C ATOM 918 CG PHE A 145 0.370 -0.644 5.617 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.358 -1.816 5.690 1.00 0.20 C ATOM 920 CD2 PHE A 145 0.112 0.216 4.560 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.319 -2.121 4.744 1.00 0.25 C ATOM 922 CE2 PHE A 145 -0.848 -0.081 3.612 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.565 -1.252 3.704 1.00 0.27 C ATOM 0 H PHE A 145 -0.424 0.078 8.740 1.00 0.10 H new ATOM 0 HA PHE A 145 1.593 -1.949 8.008 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.474 0.791 6.737 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.408 -0.603 6.232 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.173 -2.506 6.500 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.672 1.135 4.476 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.878 -3.042 4.821 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.036 0.605 2.799 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.316 -1.488 2.965 1.00 0.27 H new ATOM 933 N THR A 146 3.498 -0.172 8.740 1.00 0.09 N ATOM 934 CA THR A 146 4.438 0.529 9.568 1.00 0.12 C ATOM 935 C THR A 146 5.031 1.660 8.779 1.00 0.12 C ATOM 936 O THR A 146 5.328 1.512 7.592 1.00 0.15 O ATOM 937 CB THR A 146 5.563 -0.366 10.060 1.00 0.15 C ATOM 938 OG1 THR A 146 6.047 -1.172 8.987 1.00 0.16 O ATOM 939 CG2 THR A 146 5.105 -1.221 11.215 1.00 0.19 C ATOM 0 H THR A 146 3.916 -0.682 7.962 1.00 0.09 H new ATOM 0 HA THR A 146 3.898 0.893 10.442 1.00 0.12 H new ATOM 0 HB THR A 146 6.378 0.262 10.419 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.993 -0.972 8.828 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.928 -1.853 11.549 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.782 -0.581 12.036 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.273 -1.848 10.896 1.00 0.19 H new ATOM 947 N VAL A 147 5.192 2.780 9.417 1.00 0.14 N ATOM 948 CA VAL A 147 5.581 3.975 8.702 1.00 0.15 C ATOM 949 C VAL A 147 6.992 4.448 9.067 1.00 0.23 C ATOM 950 O VAL A 147 7.501 4.137 10.147 1.00 0.29 O ATOM 951 CB VAL A 147 4.531 5.069 8.936 1.00 0.28 C ATOM 952 CG1 VAL A 147 4.737 5.782 10.254 1.00 0.86 C ATOM 953 CG2 VAL A 147 4.513 6.009 7.758 1.00 0.73 C ATOM 0 H VAL A 147 5.063 2.900 10.422 1.00 0.14 H new ATOM 0 HA VAL A 147 5.620 3.740 7.638 1.00 0.15 H new ATOM 0 HB VAL A 147 3.548 4.605 9.012 1.00 0.28 H new ATOM 0 HG11 VAL A 147 3.971 6.548 10.377 1.00 0.86 H new ATOM 0 HG12 VAL A 147 4.667 5.064 11.071 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.722 6.249 10.265 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.767 6.786 7.924 1.00 0.73 H new ATOM 0 HG22 VAL A 147 5.495 6.467 7.643 1.00 0.73 H new ATOM 0 HG23 VAL A 147 4.264 5.454 6.854 1.00 0.73 H new ATOM 963 N GLN A 148 7.635 5.170 8.140 1.00 0.37 N ATOM 964 CA GLN A 148 8.982 5.692 8.366 1.00 0.51 C ATOM 965 C GLN A 148 9.174 7.052 7.672 1.00 0.58 C ATOM 966 O GLN A 148 8.806 8.084 8.233 1.00 1.16 O ATOM 967 CB GLN A 148 10.039 4.685 7.897 1.00 0.57 C ATOM 968 CG GLN A 148 11.435 4.967 8.433 1.00 1.20 C ATOM 969 CD GLN A 148 11.505 4.888 9.948 1.00 1.71 C ATOM 970 OE1 GLN A 148 12.307 5.571 10.582 1.00 2.45 O ATOM 971 NE2 GLN A 148 10.671 4.047 10.538 1.00 2.15 N ATOM 0 H GLN A 148 7.242 5.404 7.228 1.00 0.37 H new ATOM 0 HA GLN A 148 9.108 5.845 9.438 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.737 3.684 8.206 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.071 4.686 6.807 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.137 4.253 8.003 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.751 5.959 8.109 1.00 1.20 H new ATOM 0 HE21 GLN A 148 10.020 3.497 9.978 1.00 2.15 H new ATOM 0 HE22 GLN A 148 10.679 3.949 11.553 1.00 2.15 H new ATOM 980 N ALA A 149 9.727 7.060 6.452 1.00 0.40 N ATOM 981 CA ALA A 149 9.960 8.317 5.727 1.00 0.39 C ATOM 982 C ALA A 149 10.004 8.107 4.208 1.00 0.31 C ATOM 983 O ALA A 149 8.993 8.251 3.532 1.00 0.37 O ATOM 984 CB ALA A 149 11.237 8.990 6.208 1.00 0.49 C ATOM 0 H ALA A 149 10.019 6.221 5.951 1.00 0.40 H new ATOM 0 HA ALA A 149 9.115 8.972 5.942 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.389 9.918 5.657 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.154 9.209 7.273 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.084 8.325 6.039 1.00 0.49 H new ATOM 990 N ASN A 150 11.176 7.762 3.674 1.00 0.26 N ATOM 991 CA ASN A 150 11.312 7.499 2.235 1.00 0.24 C ATOM 992 C ASN A 150 10.897 6.087 1.938 1.00 0.19 C ATOM 993 O ASN A 150 10.816 5.671 0.785 1.00 0.20 O ATOM 994 CB ASN A 150 12.744 7.654 1.748 1.00 0.28 C ATOM 995 CG ASN A 150 13.263 9.082 1.813 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.085 9.862 0.878 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.926 9.428 2.907 1.00 1.00 N ATOM 0 H ASN A 150 12.039 7.658 4.207 1.00 0.26 H new ATOM 0 HA ASN A 150 10.680 8.227 1.726 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.393 7.014 2.346 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.808 7.300 0.719 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.309 10.369 2.995 1.00 1.00 H new ATOM 0 HD22 ASN A 150 14.053 8.753 3.661 1.00 1.00 H new ATOM 1004 N SER A 151 10.688 5.331 2.981 1.00 0.17 N ATOM 1005 CA SER A 151 10.224 3.987 2.823 1.00 0.20 C ATOM 1006 C SER A 151 9.183 3.654 3.878 1.00 0.20 C ATOM 1007 O SER A 151 9.442 3.746 5.076 1.00 0.27 O ATOM 1008 CB SER A 151 11.392 3.006 2.890 1.00 0.27 C ATOM 1009 OG SER A 151 12.355 3.308 1.895 1.00 0.94 O ATOM 0 H SER A 151 10.832 5.626 3.947 1.00 0.17 H new ATOM 0 HA SER A 151 9.757 3.897 1.842 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.854 3.049 3.876 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.027 1.988 2.754 1.00 0.27 H new ATOM 0 HG SER A 151 13.097 2.670 1.953 1.00 0.94 H new ATOM 1015 N ILE A 152 7.995 3.318 3.422 1.00 0.18 N ATOM 1016 CA ILE A 152 6.953 2.814 4.294 1.00 0.17 C ATOM 1017 C ILE A 152 6.976 1.295 4.215 1.00 0.17 C ATOM 1018 O ILE A 152 7.740 0.737 3.441 1.00 0.19 O ATOM 1019 CB ILE A 152 5.581 3.403 3.872 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.416 4.796 4.481 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.405 2.515 4.253 1.00 0.19 C ATOM 1022 CD1 ILE A 152 4.028 5.358 4.308 1.00 0.20 C ATOM 0 H ILE A 152 7.724 3.386 2.441 1.00 0.18 H new ATOM 0 HA ILE A 152 7.121 3.117 5.328 1.00 0.17 H new ATOM 0 HB ILE A 152 5.577 3.465 2.784 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.653 4.751 5.544 1.00 0.20 H new ATOM 0 HG13 ILE A 152 6.136 5.474 4.022 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.475 2.984 3.930 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.510 1.545 3.768 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.386 2.380 5.334 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.977 6.348 4.762 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.796 5.433 3.246 1.00 0.20 H new ATOM 0 HD13 ILE A 152 3.306 4.700 4.791 1.00 0.20 H new ATOM 1034 N GLU A 153 6.208 0.616 5.025 1.00 0.16 N ATOM 1035 CA GLU A 153 5.951 -0.770 4.772 1.00 0.14 C ATOM 1036 C GLU A 153 4.463 -0.919 4.585 1.00 0.23 C ATOM 1037 O GLU A 153 3.714 -0.146 5.152 1.00 0.56 O ATOM 1038 CB GLU A 153 6.398 -1.652 5.913 1.00 0.18 C ATOM 1039 CG GLU A 153 6.487 -3.091 5.478 1.00 0.27 C ATOM 1040 CD GLU A 153 7.764 -3.768 5.930 1.00 0.50 C ATOM 1041 OE1 GLU A 153 7.682 -4.816 6.596 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.856 -3.250 5.623 1.00 0.72 O ATOM 0 H GLU A 153 5.756 0.998 5.856 1.00 0.16 H new ATOM 0 HA GLU A 153 6.510 -1.081 3.889 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.369 -1.317 6.277 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.698 -1.562 6.743 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.632 -3.638 5.875 1.00 0.27 H new ATOM 0 HG3 GLU A 153 6.421 -3.141 4.391 1.00 0.27 H new ATOM 1049 N MET A 154 4.022 -1.881 3.812 1.00 0.13 N ATOM 1050 CA MET A 154 2.596 -2.025 3.568 1.00 0.13 C ATOM 1051 C MET A 154 2.216 -3.490 3.383 1.00 0.15 C ATOM 1052 O MET A 154 2.848 -4.211 2.621 1.00 0.18 O ATOM 1053 CB MET A 154 2.186 -1.189 2.339 1.00 0.19 C ATOM 1054 CG MET A 154 2.437 -1.847 0.989 1.00 0.94 C ATOM 1055 SD MET A 154 1.064 -2.905 0.480 1.00 0.73 S ATOM 1056 CE MET A 154 1.640 -3.503 -1.102 1.00 1.32 C ATOM 0 H MET A 154 4.613 -2.569 3.345 1.00 0.13 H new ATOM 0 HA MET A 154 2.056 -1.654 4.439 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.125 -0.954 2.418 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.725 -0.242 2.369 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.598 -1.076 0.235 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.351 -2.439 1.040 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.917 -4.210 -1.509 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.754 -2.664 -1.789 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.601 -4.000 -0.975 1.00 1.32 H new ATOM 1066 N ILE A 155 1.216 -3.947 4.118 1.00 0.16 N ATOM 1067 CA ILE A 155 0.663 -5.266 3.887 1.00 0.19 C ATOM 1068 C ILE A 155 -0.135 -5.277 2.595 1.00 0.27 C ATOM 1069 O ILE A 155 -0.993 -4.420 2.378 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.261 -5.753 5.010 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.083 -5.073 6.345 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.141 -7.273 5.114 1.00 0.25 C ATOM 1073 CD1 ILE A 155 0.934 -5.899 7.271 1.00 0.24 C ATOM 0 H ILE A 155 0.774 -3.426 4.875 1.00 0.16 H new ATOM 0 HA ILE A 155 1.520 -5.938 3.840 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.292 -5.486 4.777 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.600 -4.136 6.137 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.845 -4.818 6.857 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.793 -7.636 5.909 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.436 -7.727 4.168 1.00 0.25 H new ATOM 0 HG23 ILE A 155 0.891 -7.542 5.340 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.125 -5.339 8.186 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.413 -6.825 7.515 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.881 -6.133 6.784 1.00 0.24 H new ATOM 1297 N VAL A 169 0.119 -10.923 3.415 1.00 0.38 N ATOM 1298 CA VAL A 169 1.489 -10.716 3.009 1.00 0.32 C ATOM 1299 C VAL A 169 1.796 -9.262 3.086 1.00 0.26 C ATOM 1300 O VAL A 169 0.953 -8.445 2.779 1.00 0.29 O ATOM 1301 CB VAL A 169 1.728 -11.106 1.564 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.103 -10.621 1.142 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.563 -12.597 1.390 1.00 0.48 C ATOM 0 HA VAL A 169 2.108 -11.326 3.666 1.00 0.32 H new ATOM 0 HB VAL A 169 0.990 -10.632 0.917 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.283 -10.897 0.103 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.153 -9.537 1.243 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.861 -11.080 1.776 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.737 -12.863 0.347 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.281 -13.119 2.023 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.551 -12.887 1.674 1.00 0.48 H new ATOM 1313 N ARG A 170 3.006 -8.936 3.425 1.00 0.23 N ATOM 1314 CA ARG A 170 3.385 -7.561 3.468 1.00 0.20 C ATOM 1315 C ARG A 170 4.568 -7.261 2.592 1.00 0.19 C ATOM 1316 O ARG A 170 5.481 -8.071 2.406 1.00 0.25 O ATOM 1317 CB ARG A 170 3.599 -7.123 4.892 1.00 0.26 C ATOM 1318 CG ARG A 170 4.399 -8.110 5.692 1.00 0.23 C ATOM 1319 CD ARG A 170 5.887 -8.056 5.390 1.00 0.39 C ATOM 1320 NE ARG A 170 6.647 -7.318 6.392 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.435 -7.894 7.298 1.00 0.96 C ATOM 1322 NH1 ARG A 170 7.492 -9.216 7.396 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.149 -7.141 8.114 1.00 1.61 N ATOM 0 H ARG A 170 3.741 -9.598 3.674 1.00 0.23 H new ATOM 0 HA ARG A 170 2.563 -6.976 3.056 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.109 -6.160 4.898 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.631 -6.974 5.371 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.243 -7.919 6.754 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.030 -9.116 5.491 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.275 -9.072 5.324 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.037 -7.593 4.415 1.00 0.39 H new ATOM 0 HE ARG A 170 6.571 -6.301 6.399 1.00 0.93 H new ATOM 0 HH11 ARG A 170 6.930 -9.798 6.775 1.00 1.39 H new ATOM 0 HH12 ARG A 170 8.098 -9.650 8.092 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.095 -6.125 8.048 1.00 1.61 H new ATOM 0 HH22 ARG A 170 8.755 -7.576 8.810 1.00 1.61 H new ATOM 1337 N ALA A 171 4.494 -6.095 2.026 1.00 0.17 N ATOM 1338 CA ALA A 171 5.517 -5.578 1.167 1.00 0.16 C ATOM 1339 C ALA A 171 6.141 -4.354 1.792 1.00 0.16 C ATOM 1340 O ALA A 171 5.599 -3.788 2.734 1.00 0.20 O ATOM 1341 CB ALA A 171 4.926 -5.221 -0.178 1.00 0.16 C ATOM 0 H ALA A 171 3.704 -5.462 2.151 1.00 0.17 H new ATOM 0 HA ALA A 171 6.285 -6.339 1.029 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.709 -4.828 -0.827 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.491 -6.111 -0.632 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.151 -4.466 -0.046 1.00 0.16 H new ATOM 1347 N ARG A 172 7.264 -3.936 1.264 1.00 0.16 N ATOM 1348 CA ARG A 172 7.912 -2.748 1.761 1.00 0.18 C ATOM 1349 C ARG A 172 7.777 -1.653 0.744 1.00 0.18 C ATOM 1350 O ARG A 172 8.113 -1.820 -0.427 1.00 0.22 O ATOM 1351 CB ARG A 172 9.377 -2.988 2.090 1.00 0.24 C ATOM 1352 CG ARG A 172 10.112 -1.741 2.561 1.00 0.79 C ATOM 1353 CD ARG A 172 11.607 -1.857 2.323 1.00 1.08 C ATOM 1354 NE ARG A 172 11.933 -1.772 0.897 1.00 1.97 N ATOM 1355 CZ ARG A 172 12.773 -2.594 0.266 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.387 -3.569 0.929 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.001 -2.434 -1.033 1.00 3.69 N ATOM 0 H ARG A 172 7.747 -4.398 0.493 1.00 0.16 H new ATOM 0 HA ARG A 172 7.423 -2.457 2.691 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.446 -3.753 2.863 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.879 -3.382 1.206 1.00 0.24 H new ATOM 0 HG2 ARG A 172 9.725 -0.868 2.035 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.922 -1.584 3.623 1.00 0.79 H new ATOM 0 HD2 ARG A 172 12.125 -1.065 2.863 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.968 -2.804 2.724 1.00 1.08 H new ATOM 0 HE ARG A 172 11.488 -1.035 0.350 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.217 -3.693 1.927 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.028 -4.194 0.440 1.00 2.48 H new ATOM 0 HH21 ARG A 172 12.534 -1.685 -1.544 1.00 3.69 H new ATOM 0 HH22 ARG A 172 13.643 -3.060 -1.519 1.00 3.69 H new ATOM 1371 N LEU A 173 7.269 -0.550 1.208 1.00 0.20 N ATOM 1372 CA LEU A 173 7.028 0.593 0.384 1.00 0.24 C ATOM 1373 C LEU A 173 8.287 1.420 0.263 1.00 0.25 C ATOM 1374 O LEU A 173 9.136 1.412 1.152 1.00 0.48 O ATOM 1375 CB LEU A 173 5.949 1.440 1.021 1.00 0.37 C ATOM 1376 CG LEU A 173 4.656 1.555 0.253 1.00 0.19 C ATOM 1377 CD1 LEU A 173 3.672 2.342 1.090 1.00 0.61 C ATOM 1378 CD2 LEU A 173 4.909 2.210 -1.088 1.00 0.54 C ATOM 0 H LEU A 173 7.007 -0.419 2.185 1.00 0.20 H new ATOM 0 HA LEU A 173 6.717 0.261 -0.606 1.00 0.24 H new ATOM 0 HB2 LEU A 173 5.728 1.030 2.006 1.00 0.37 H new ATOM 0 HB3 LEU A 173 6.347 2.443 1.176 1.00 0.37 H new ATOM 0 HG LEU A 173 4.236 0.569 0.054 1.00 0.19 H new ATOM 0 HD11 LEU A 173 2.729 2.436 0.551 1.00 0.61 H new ATOM 0 HD12 LEU A 173 3.500 1.824 2.033 1.00 0.61 H new ATOM 0 HD13 LEU A 173 4.076 3.334 1.290 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.971 2.290 -1.637 1.00 0.54 H new ATOM 0 HD22 LEU A 173 5.325 3.206 -0.934 1.00 0.54 H new ATOM 0 HD23 LEU A 173 5.614 1.607 -1.660 1.00 0.54 H new ATOM 1390 N THR A 174 8.420 2.124 -0.830 1.00 0.17 N ATOM 1391 CA THR A 174 9.490 3.073 -0.966 1.00 0.15 C ATOM 1392 C THR A 174 9.110 4.192 -1.895 1.00 0.13 C ATOM 1393 O THR A 174 8.405 3.988 -2.877 1.00 0.12 O ATOM 1394 CB THR A 174 10.784 2.427 -1.449 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.225 1.414 -0.531 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.823 3.505 -1.585 1.00 0.20 C ATOM 0 H THR A 174 7.801 2.057 -1.638 1.00 0.17 H new ATOM 0 HA THR A 174 9.667 3.476 0.031 1.00 0.15 H new ATOM 0 HB THR A 174 10.618 1.943 -2.411 1.00 0.18 H new ATOM 0 HG1 THR A 174 10.728 1.495 0.309 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.759 3.066 -1.930 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.483 4.249 -2.306 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.981 3.983 -0.618 1.00 0.20 H new ATOM 1404 N PHE A 175 9.567 5.380 -1.549 1.00 0.16 N ATOM 1405 CA PHE A 175 9.258 6.564 -2.298 1.00 0.17 C ATOM 1406 C PHE A 175 10.495 7.212 -2.914 1.00 0.19 C ATOM 1407 O PHE A 175 11.325 7.767 -2.203 1.00 0.32 O ATOM 1408 CB PHE A 175 8.605 7.548 -1.367 1.00 0.30 C ATOM 1409 CG PHE A 175 7.671 6.893 -0.411 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.458 6.399 -0.844 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.990 6.803 0.925 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.582 5.825 0.044 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.123 6.229 1.818 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.961 5.618 1.340 1.00 0.15 C ATOM 0 H PHE A 175 10.163 5.543 -0.738 1.00 0.16 H new ATOM 0 HA PHE A 175 8.599 6.282 -3.119 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.375 8.082 -0.810 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.061 8.290 -1.951 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.195 6.464 -1.890 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.936 7.190 1.274 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.593 5.537 -0.282 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.335 6.249 2.877 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.369 4.989 1.988 1.00 0.15 H new ATOM 1424 N ASP A 176 10.588 7.170 -4.234 1.00 0.16 N ATOM 1425 CA ASP A 176 11.736 7.743 -4.955 1.00 0.20 C ATOM 1426 C ASP A 176 11.403 9.125 -5.507 1.00 0.19 C ATOM 1427 O ASP A 176 10.826 9.255 -6.586 1.00 0.20 O ATOM 1428 CB ASP A 176 12.162 6.833 -6.115 1.00 0.29 C ATOM 1429 CG ASP A 176 13.439 7.292 -6.797 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.366 8.118 -7.734 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.526 6.816 -6.410 1.00 0.68 O ATOM 0 H ASP A 176 9.884 6.745 -4.838 1.00 0.16 H new ATOM 0 HA ASP A 176 12.555 7.829 -4.241 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.302 5.819 -5.740 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.359 6.793 -6.851 1.00 0.29 H new ATOM 1436 N GLY A 177 11.750 10.154 -4.764 1.00 0.21 N ATOM 1437 CA GLY A 177 11.574 11.505 -5.261 1.00 0.23 C ATOM 1438 C GLY A 177 10.188 12.057 -5.026 1.00 0.23 C ATOM 1439 O GLY A 177 9.774 12.267 -3.884 1.00 0.27 O ATOM 0 H GLY A 177 12.150 10.086 -3.828 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.303 12.158 -4.781 1.00 0.23 H new ATOM 0 HA3 GLY A 177 11.787 11.521 -6.330 1.00 0.23 H new ATOM 1443 N ASP A 178 9.477 12.294 -6.118 1.00 0.22 N ATOM 1444 CA ASP A 178 8.126 12.831 -6.062 1.00 0.26 C ATOM 1445 C ASP A 178 7.205 11.744 -6.500 1.00 0.23 C ATOM 1446 O ASP A 178 6.018 11.954 -6.712 1.00 0.25 O ATOM 1447 CB ASP A 178 7.944 14.012 -7.006 1.00 0.34 C ATOM 1448 CG ASP A 178 6.802 14.918 -6.590 1.00 1.10 C ATOM 1449 OD1 ASP A 178 6.883 15.529 -5.503 1.00 1.61 O ATOM 1450 OD2 ASP A 178 5.808 15.011 -7.336 1.00 1.34 O ATOM 0 H ASP A 178 9.818 12.121 -7.063 1.00 0.22 H new ATOM 0 HA ASP A 178 7.922 13.175 -5.048 1.00 0.26 H new ATOM 0 HB2 ASP A 178 8.867 14.590 -7.042 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.761 13.642 -8.015 1.00 0.34 H new ATOM 1455 N HIS A 179 7.785 10.569 -6.640 1.00 0.19 N ATOM 1456 CA HIS A 179 7.058 9.415 -7.080 1.00 0.17 C ATOM 1457 C HIS A 179 7.448 8.187 -6.297 1.00 0.13 C ATOM 1458 O HIS A 179 8.489 8.144 -5.658 1.00 0.13 O ATOM 1459 CB HIS A 179 7.301 9.192 -8.575 1.00 0.22 C ATOM 1460 CG HIS A 179 8.708 8.829 -8.956 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.205 7.544 -8.894 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.717 9.595 -9.434 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.455 7.538 -9.316 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.788 8.768 -9.651 1.00 0.45 N ATOM 0 H HIS A 179 8.772 10.396 -6.450 1.00 0.19 H new ATOM 0 HA HIS A 179 5.997 9.593 -6.908 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.635 8.401 -8.919 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.021 10.100 -9.110 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.687 6.726 -8.572 1.00 1.28 H new ATOM 0 HD2 HIS A 179 9.684 10.660 -9.611 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.097 6.671 -9.377 1.00 1.05 H new ATOM 1473 N LEU A 180 6.580 7.199 -6.341 1.00 0.13 N ATOM 1474 CA LEU A 180 6.845 5.931 -5.689 1.00 0.12 C ATOM 1475 C LEU A 180 8.055 5.265 -6.275 1.00 0.14 C ATOM 1476 O LEU A 180 8.325 5.362 -7.472 1.00 0.22 O ATOM 1477 CB LEU A 180 5.655 5.010 -5.842 1.00 0.17 C ATOM 1478 CG LEU A 180 5.438 4.044 -4.700 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.551 4.780 -3.387 1.00 0.14 C ATOM 1480 CD2 LEU A 180 4.077 3.408 -4.823 1.00 0.20 C ATOM 0 H LEU A 180 5.682 7.248 -6.822 1.00 0.13 H new ATOM 0 HA LEU A 180 7.028 6.131 -4.633 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.758 5.618 -5.958 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.774 4.439 -6.763 1.00 0.17 H new ATOM 0 HG LEU A 180 6.197 3.263 -4.736 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.394 4.082 -2.564 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.543 5.224 -3.303 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.797 5.566 -3.345 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.925 2.712 -3.998 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.310 4.182 -4.792 1.00 0.20 H new ATOM 0 HD23 LEU A 180 4.011 2.870 -5.768 1.00 0.20 H new ATOM 1492 N ALA A 181 8.781 4.601 -5.408 1.00 0.12 N ATOM 1493 CA ALA A 181 9.975 3.928 -5.789 1.00 0.13 C ATOM 1494 C ALA A 181 9.706 2.472 -6.106 1.00 0.14 C ATOM 1495 O ALA A 181 10.089 1.963 -7.158 1.00 0.15 O ATOM 1496 CB ALA A 181 10.957 4.038 -4.662 1.00 0.13 C ATOM 0 H ALA A 181 8.550 4.519 -4.418 1.00 0.12 H new ATOM 0 HA ALA A 181 10.378 4.390 -6.691 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.881 3.528 -4.934 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.167 5.089 -4.464 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.538 3.577 -3.768 1.00 0.13 H new ATOM 1502 N THR A 182 9.039 1.809 -5.176 1.00 0.15 N ATOM 1503 CA THR A 182 8.768 0.396 -5.291 1.00 0.18 C ATOM 1504 C THR A 182 7.965 -0.086 -4.112 1.00 0.17 C ATOM 1505 O THR A 182 7.705 0.653 -3.157 1.00 0.16 O ATOM 1506 CB THR A 182 10.063 -0.433 -5.337 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.788 -1.770 -5.785 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.683 -0.476 -3.953 1.00 0.24 C ATOM 0 H THR A 182 8.674 2.238 -4.326 1.00 0.15 H new ATOM 0 HA THR A 182 8.214 0.262 -6.220 1.00 0.18 H new ATOM 0 HB THR A 182 10.756 0.033 -6.037 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.622 -2.284 -5.811 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.601 -1.063 -3.984 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.912 0.538 -3.625 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.983 -0.934 -3.255 1.00 0.24 H new ATOM 1516 N ILE A 183 7.624 -1.347 -4.204 1.00 0.20 N ATOM 1517 CA ILE A 183 6.909 -2.069 -3.200 1.00 0.18 C ATOM 1518 C ILE A 183 7.276 -3.513 -3.372 1.00 0.20 C ATOM 1519 O ILE A 183 7.172 -4.048 -4.473 1.00 0.28 O ATOM 1520 CB ILE A 183 5.400 -1.914 -3.351 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.985 -0.533 -2.920 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.674 -2.969 -2.555 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.672 0.375 -4.072 1.00 0.20 C ATOM 0 H ILE A 183 7.851 -1.917 -5.019 1.00 0.20 H new ATOM 0 HA ILE A 183 7.172 -1.686 -2.214 1.00 0.18 H new ATOM 0 HB ILE A 183 5.133 -2.047 -4.399 1.00 0.19 H new ATOM 0 HG12 ILE A 183 4.109 -0.608 -2.276 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.782 -0.091 -2.323 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.598 -2.841 -2.676 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.964 -3.957 -2.911 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.934 -2.873 -1.501 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.380 1.355 -3.694 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.554 0.478 -4.704 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.854 -0.047 -4.656 1.00 0.20 H new ATOM 1535 N VAL A 184 7.738 -4.133 -2.323 1.00 0.21 N ATOM 1536 CA VAL A 184 8.255 -5.470 -2.440 1.00 0.24 C ATOM 1537 C VAL A 184 7.644 -6.394 -1.436 1.00 0.23 C ATOM 1538 O VAL A 184 7.806 -6.176 -0.241 1.00 0.22 O ATOM 1539 CB VAL A 184 9.762 -5.481 -2.227 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.290 -6.898 -2.267 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.433 -4.590 -3.256 1.00 0.34 C ATOM 0 H VAL A 184 7.768 -3.739 -1.383 1.00 0.21 H new ATOM 0 HA VAL A 184 8.005 -5.812 -3.444 1.00 0.24 H new ATOM 0 HB VAL A 184 9.994 -5.081 -1.240 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.369 -6.889 -2.113 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.816 -7.485 -1.480 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.066 -7.343 -3.237 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.512 -4.601 -3.099 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.208 -4.957 -4.257 1.00 0.34 H new ATOM 0 HG23 VAL A 184 10.062 -3.570 -3.152 1.00 0.34 H new ATOM 1551 N ASN A 185 6.973 -7.433 -1.916 1.00 0.29 N ATOM 1552 CA ASN A 185 6.483 -8.477 -1.035 1.00 0.32 C ATOM 1553 C ASN A 185 7.669 -9.081 -0.348 1.00 0.33 C ATOM 1554 O ASN A 185 8.356 -9.945 -0.880 1.00 0.40 O ATOM 1555 CB ASN A 185 5.697 -9.542 -1.804 1.00 0.44 C ATOM 1556 CG ASN A 185 4.458 -8.980 -2.470 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.862 -8.019 -1.987 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.064 -9.569 -3.587 1.00 1.57 N ATOM 0 H ASN A 185 6.758 -7.572 -2.903 1.00 0.29 H new ATOM 0 HA ASN A 185 5.793 -8.052 -0.306 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.342 -9.989 -2.561 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.408 -10.340 -1.120 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.238 -9.228 -4.080 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.586 -10.364 -3.956 1.00 1.57 H new ATOM 1565 N MET A 186 7.875 -8.574 0.845 1.00 0.31 N ATOM 1566 CA MET A 186 9.058 -8.777 1.650 1.00 0.36 C ATOM 1567 C MET A 186 9.369 -10.219 1.843 1.00 0.43 C ATOM 1568 O MET A 186 10.513 -10.607 2.070 1.00 0.53 O ATOM 1569 CB MET A 186 8.809 -8.104 2.983 1.00 0.36 C ATOM 1570 CG MET A 186 8.847 -6.590 2.927 1.00 0.34 C ATOM 1571 SD MET A 186 10.518 -5.905 3.066 1.00 0.94 S ATOM 1572 CE MET A 186 11.301 -6.452 1.550 1.00 1.42 C ATOM 0 H MET A 186 7.187 -7.978 1.304 1.00 0.31 H new ATOM 0 HA MET A 186 9.923 -8.348 1.144 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.836 -8.419 3.361 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.556 -8.450 3.698 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.403 -6.258 1.989 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.230 -6.189 3.731 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.170 -5.828 1.344 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.617 -7.490 1.657 1.00 1.42 H new ATOM 0 HE3 MET A 186 10.593 -6.372 0.725 1.00 1.42 H new ATOM 1582 N GLU A 187 8.345 -10.998 1.723 1.00 0.43 N ATOM 1583 CA GLU A 187 8.437 -12.385 1.941 1.00 0.51 C ATOM 1584 C GLU A 187 9.266 -13.041 0.871 1.00 0.59 C ATOM 1585 O GLU A 187 10.134 -13.866 1.137 1.00 0.68 O ATOM 1586 CB GLU A 187 7.038 -12.933 1.948 1.00 0.50 C ATOM 1587 CG GLU A 187 6.064 -11.954 2.563 1.00 0.42 C ATOM 1588 CD GLU A 187 4.957 -12.613 3.351 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.280 -11.921 4.140 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.750 -13.833 3.174 1.00 0.67 O ATOM 0 H GLU A 187 7.412 -10.674 1.467 1.00 0.43 H new ATOM 0 HA GLU A 187 8.929 -12.589 2.892 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.730 -13.162 0.928 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.015 -13.869 2.505 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.610 -11.275 3.218 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.623 -11.348 1.772 1.00 0.42 H new ATOM 1597 N ASN A 188 8.987 -12.637 -0.336 1.00 0.58 N ATOM 1598 CA ASN A 188 9.678 -13.173 -1.488 1.00 0.67 C ATOM 1599 C ASN A 188 10.783 -12.239 -1.947 1.00 0.64 C ATOM 1600 O ASN A 188 11.781 -12.695 -2.493 1.00 0.74 O ATOM 1601 CB ASN A 188 8.681 -13.456 -2.614 1.00 0.73 C ATOM 1602 CG ASN A 188 9.276 -14.283 -3.741 1.00 1.45 C ATOM 1603 OD1 ASN A 188 10.207 -15.060 -3.537 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.724 -14.138 -4.934 1.00 1.95 N ATOM 0 H ASN A 188 8.282 -11.933 -0.555 1.00 0.58 H new ATOM 0 HA ASN A 188 10.149 -14.114 -1.204 1.00 0.67 H new ATOM 0 HB2 ASN A 188 7.817 -13.979 -2.204 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.319 -12.510 -3.017 1.00 0.73 H new ATOM 0 HD21 ASN A 188 9.069 -14.681 -5.725 1.00 1.95 H new ATOM 0 HD22 ASN A 188 7.953 -13.483 -5.063 1.00 1.95 H new ATOM 1611 N ASN A 189 10.609 -10.940 -1.682 1.00 0.53 N ATOM 1612 CA ASN A 189 11.621 -9.913 -1.926 1.00 0.52 C ATOM 1613 C ASN A 189 12.481 -10.132 -3.185 1.00 0.61 C ATOM 1614 O ASN A 189 13.678 -9.845 -3.187 1.00 0.71 O ATOM 1615 CB ASN A 189 12.477 -9.784 -0.668 1.00 0.59 C ATOM 1616 CG ASN A 189 13.395 -10.975 -0.400 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.534 -11.024 -0.864 1.00 1.80 O ATOM 1618 ND2 ASN A 189 12.915 -11.929 0.387 1.00 1.74 N ATOM 0 H ASN A 189 9.746 -10.569 -1.285 1.00 0.53 H new ATOM 0 HA ASN A 189 11.098 -8.981 -2.139 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.086 -8.884 -0.749 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.820 -9.648 0.191 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.495 -12.734 0.624 1.00 1.74 H new ATOM 0 HD22 ASN A 189 11.966 -11.857 0.755 1.00 1.74 H new