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 -117:sc= 0.764 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.976 USER MOD Set 2.1: A 146 THR OG1 : rot -139:sc= -1.41! USER MOD Set 2.2: A 148 GLN : amide:sc= -0.509 K(o=-1.9,f=-3.8) USER MOD Set 3.1: A 122 ASN : amide:sc= 0 X(o=-0.72,f=-0.85) USER MOD Set 3.2: A 126 LYS NZ :NH3+ -115:sc= -0.717 (180deg=-2.29!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 120 SER OG : rot -89:sc= -0.31! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 139:sc= -0.341 (180deg=-1.9) USER MOD Single : A 131 THR OG1 : rot -39:sc= 0.198 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 62:sc= -4.42! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 137 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl 158:sc= -0.529 (180deg=-1.78) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl 165:sc= -0.362 (180deg=-0.725) USER MOD Single : A 179 HIS : no HE2:sc= 0.0928 K(o=0.093,f=-1.8!) USER MOD Single : A 182 THR OG1 : rot -101:sc= 0.0196 USER MOD Single : A 185 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 186 MET CE :methyl -159:sc= -0.216 (180deg=-0.849) USER MOD Single : A 188 ASN : amide:sc= -0.326 K(o=-0.33,f=-3.8!) USER MOD Single : A 189 ASN : amide:sc= -0.587 K(o=-0.59,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.003 7.952 -8.104 1.00 0.27 N ATOM 468 CA THR A 118 3.965 9.021 -7.942 1.00 0.26 C ATOM 469 C THR A 118 3.599 9.899 -6.767 1.00 0.25 C ATOM 470 O THR A 118 2.623 10.650 -6.801 1.00 0.32 O ATOM 471 CB THR A 118 4.114 9.859 -9.222 1.00 0.30 C ATOM 472 OG1 THR A 118 4.810 9.113 -10.229 1.00 0.32 O ATOM 473 CG2 THR A 118 4.816 11.195 -8.978 1.00 0.32 C ATOM 0 HA THR A 118 4.932 8.559 -7.742 1.00 0.26 H new ATOM 0 HB THR A 118 3.105 10.087 -9.567 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.896 9.658 -11.039 1.00 0.32 H new ATOM 0 HG21 THR A 118 4.893 11.743 -9.917 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.242 11.782 -8.261 1.00 0.32 H new ATOM 0 HG23 THR A 118 5.815 11.014 -8.581 1.00 0.32 H new ATOM 481 N ILE A 119 4.367 9.743 -5.704 1.00 0.19 N ATOM 482 CA ILE A 119 4.137 10.451 -4.484 1.00 0.18 C ATOM 483 C ILE A 119 5.435 10.939 -3.878 1.00 0.19 C ATOM 484 O ILE A 119 6.515 10.492 -4.221 1.00 0.20 O ATOM 485 CB ILE A 119 3.553 9.533 -3.450 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.661 8.700 -2.881 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.484 8.672 -4.004 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.269 8.132 -1.612 1.00 0.17 C ATOM 0 H ILE A 119 5.170 9.115 -5.675 1.00 0.19 H new ATOM 0 HA ILE A 119 3.473 11.279 -4.733 1.00 0.18 H new ATOM 0 HB ILE A 119 3.088 10.134 -2.669 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.919 7.903 -3.578 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.554 9.312 -2.752 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.093 8.026 -3.218 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.680 9.296 -4.394 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.891 8.059 -4.808 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.086 7.530 -1.215 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.034 8.934 -0.912 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.390 7.503 -1.751 1.00 0.17 H new ATOM 500 N SER A 120 5.291 11.706 -2.853 1.00 0.21 N ATOM 501 CA SER A 120 6.424 12.352 -2.230 1.00 0.28 C ATOM 502 C SER A 120 6.520 11.935 -0.773 1.00 0.28 C ATOM 503 O SER A 120 5.645 11.224 -0.275 1.00 0.25 O ATOM 504 CB SER A 120 6.325 13.873 -2.377 1.00 0.36 C ATOM 505 OG SER A 120 5.028 14.335 -2.058 1.00 1.29 O ATOM 0 H SER A 120 4.393 11.911 -2.414 1.00 0.21 H new ATOM 0 HA SER A 120 7.338 12.036 -2.733 1.00 0.28 H new ATOM 0 HB2 SER A 120 7.055 14.352 -1.725 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.574 14.159 -3.399 1.00 0.36 H new ATOM 0 HG SER A 120 4.471 14.329 -2.864 1.00 1.29 H new ATOM 511 N LYS A 121 7.571 12.362 -0.097 1.00 0.35 N ATOM 512 CA LYS A 121 7.816 11.938 1.282 1.00 0.40 C ATOM 513 C LYS A 121 6.625 12.254 2.196 1.00 0.36 C ATOM 514 O LYS A 121 6.224 11.429 3.015 1.00 0.38 O ATOM 515 CB LYS A 121 9.100 12.577 1.816 1.00 0.50 C ATOM 516 CG LYS A 121 9.512 12.066 3.190 1.00 1.34 C ATOM 517 CD LYS A 121 10.961 12.402 3.505 1.00 1.71 C ATOM 518 CE LYS A 121 11.211 13.902 3.514 1.00 2.46 C ATOM 519 NZ LYS A 121 12.648 14.221 3.725 1.00 3.26 N ATOM 0 H LYS A 121 8.271 13.001 -0.474 1.00 0.35 H new ATOM 0 HA LYS A 121 7.940 10.855 1.279 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.909 12.389 1.111 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.964 13.657 1.865 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.864 12.503 3.950 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.371 10.986 3.234 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.227 11.985 4.476 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.611 11.931 2.767 1.00 1.71 H new ATOM 0 HE2 LYS A 121 10.878 14.332 2.569 1.00 2.46 H new ATOM 0 HE3 LYS A 121 10.616 14.365 4.302 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 12.778 15.253 3.725 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 12.959 13.833 4.638 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 13.213 13.801 2.960 1.00 3.26 H new ATOM 533 N ASN A 122 6.051 13.436 2.052 1.00 0.37 N ATOM 534 CA ASN A 122 4.877 13.805 2.829 1.00 0.37 C ATOM 535 C ASN A 122 3.630 13.283 2.166 1.00 0.30 C ATOM 536 O ASN A 122 2.586 13.163 2.804 1.00 0.29 O ATOM 537 CB ASN A 122 4.781 15.319 2.994 1.00 0.48 C ATOM 538 CG ASN A 122 3.770 15.727 4.050 1.00 1.22 C ATOM 539 OD1 ASN A 122 2.579 15.868 3.771 1.00 2.17 O ATOM 540 ND2 ASN A 122 4.244 15.937 5.269 1.00 1.64 N ATOM 0 H ASN A 122 6.376 14.156 1.407 1.00 0.37 H new ATOM 0 HA ASN A 122 4.973 13.357 3.818 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.761 15.715 3.262 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.506 15.768 2.040 1.00 0.48 H new ATOM 0 HD21 ASN A 122 3.615 16.227 6.018 1.00 1.64 H new ATOM 0 HD22 ASN A 122 5.238 15.809 5.459 1.00 1.64 H new ATOM 547 N GLU A 123 3.731 12.940 0.891 1.00 0.27 N ATOM 548 CA GLU A 123 2.584 12.485 0.185 1.00 0.25 C ATOM 549 C GLU A 123 2.153 11.160 0.706 1.00 0.21 C ATOM 550 O GLU A 123 1.007 10.809 0.641 1.00 0.26 O ATOM 551 CB GLU A 123 2.794 12.443 -1.295 1.00 0.27 C ATOM 552 CG GLU A 123 1.945 13.464 -2.002 1.00 0.30 C ATOM 553 CD GLU A 123 2.135 13.457 -3.497 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.262 13.730 -3.954 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.155 13.185 -4.220 1.00 0.50 O ATOM 0 H GLU A 123 4.592 12.973 0.345 1.00 0.27 H new ATOM 0 HA GLU A 123 1.788 13.210 0.358 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.845 12.624 -1.520 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.555 11.448 -1.669 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.896 13.276 -1.774 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.182 14.455 -1.616 1.00 0.30 H new ATOM 562 N MET A 124 3.050 10.449 1.291 1.00 0.19 N ATOM 563 CA MET A 124 2.665 9.190 1.851 1.00 0.20 C ATOM 564 C MET A 124 2.126 9.399 3.233 1.00 0.17 C ATOM 565 O MET A 124 1.273 8.655 3.696 1.00 0.16 O ATOM 566 CB MET A 124 3.805 8.179 1.841 1.00 0.27 C ATOM 567 CG MET A 124 5.048 8.594 2.624 1.00 1.21 C ATOM 568 SD MET A 124 4.863 8.418 4.412 1.00 2.28 S ATOM 569 CE MET A 124 6.504 8.856 4.975 1.00 3.06 C ATOM 0 H MET A 124 4.032 10.702 1.397 1.00 0.19 H new ATOM 0 HA MET A 124 1.880 8.765 1.225 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.437 7.237 2.247 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.093 7.990 0.807 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.894 7.992 2.293 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.285 9.632 2.391 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.429 9.477 5.868 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.062 7.950 5.209 1.00 3.06 H new ATOM 0 HE3 MET A 124 7.022 9.409 4.191 1.00 3.06 H new ATOM 579 N VAL A 125 2.586 10.465 3.850 1.00 0.20 N ATOM 580 CA VAL A 125 2.231 10.781 5.210 1.00 0.22 C ATOM 581 C VAL A 125 0.755 11.051 5.348 1.00 0.21 C ATOM 582 O VAL A 125 0.150 10.838 6.387 1.00 0.23 O ATOM 583 CB VAL A 125 3.019 12.000 5.687 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.228 12.796 6.712 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.356 11.557 6.240 1.00 0.32 C ATOM 0 H VAL A 125 3.219 11.138 3.418 1.00 0.20 H new ATOM 0 HA VAL A 125 2.479 9.917 5.826 1.00 0.22 H new ATOM 0 HB VAL A 125 3.197 12.661 4.839 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.813 13.658 7.034 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.294 13.138 6.266 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.009 12.164 7.573 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.916 12.428 6.579 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.196 10.879 7.078 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.920 11.044 5.461 1.00 0.32 H new ATOM 595 N LYS A 126 0.205 11.586 4.314 1.00 0.20 N ATOM 596 CA LYS A 126 -1.225 11.718 4.216 1.00 0.20 C ATOM 597 C LYS A 126 -1.848 10.402 3.799 1.00 0.16 C ATOM 598 O LYS A 126 -2.903 10.047 4.284 1.00 0.19 O ATOM 599 CB LYS A 126 -1.531 12.761 3.186 1.00 0.24 C ATOM 600 CG LYS A 126 -0.973 12.336 1.857 1.00 0.32 C ATOM 601 CD LYS A 126 -0.116 13.341 1.165 1.00 0.39 C ATOM 602 CE LYS A 126 -0.765 14.697 1.001 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.443 15.629 2.118 1.00 1.51 N ATOM 0 H LYS A 126 0.721 11.946 3.511 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.634 12.004 5.185 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.609 12.906 3.110 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.101 13.717 3.483 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.390 11.427 2.002 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.804 12.080 1.200 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.811 13.459 1.725 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.153 12.957 0.181 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.440 15.139 0.059 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.846 14.572 0.938 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.311 15.853 2.645 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 0.244 15.180 2.757 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.036 16.505 1.733 1.00 1.51 H new ATOM 617 N LEU A 127 -1.184 9.698 2.891 1.00 0.15 N ATOM 618 CA LEU A 127 -1.706 8.484 2.318 1.00 0.19 C ATOM 619 C LEU A 127 -1.958 7.413 3.297 1.00 0.20 C ATOM 620 O LEU A 127 -2.940 6.732 3.138 1.00 0.24 O ATOM 621 CB LEU A 127 -0.831 7.979 1.222 1.00 0.25 C ATOM 622 CG LEU A 127 -1.335 8.436 -0.132 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.234 9.086 -0.962 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.001 7.283 -0.848 1.00 0.40 C ATOM 0 H LEU A 127 -0.265 9.962 2.536 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.677 8.763 1.910 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.188 8.334 1.373 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.797 6.890 1.252 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.084 9.213 0.020 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.640 9.398 -1.924 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.155 9.956 -0.433 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.571 8.369 -1.123 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.361 7.618 -1.821 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.282 6.476 -0.986 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.841 6.923 -0.254 1.00 0.40 H new ATOM 636 N LEU A 128 -1.136 7.219 4.306 1.00 0.18 N ATOM 637 CA LEU A 128 -1.517 6.207 5.248 1.00 0.24 C ATOM 638 C LEU A 128 -2.822 6.616 5.926 1.00 0.26 C ATOM 639 O LEU A 128 -3.735 5.811 6.090 1.00 0.32 O ATOM 640 CB LEU A 128 -0.434 5.812 6.284 1.00 0.28 C ATOM 641 CG LEU A 128 0.519 6.867 6.821 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.713 7.000 5.941 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.155 8.168 6.929 1.00 0.21 C ATOM 0 H LEU A 128 -0.261 7.712 4.484 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.656 5.294 4.669 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.947 5.372 7.139 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.172 5.024 5.836 1.00 0.28 H new ATOM 0 HG LEU A 128 0.842 6.548 7.812 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.380 7.761 6.346 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.238 6.046 5.893 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.396 7.291 4.939 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.545 8.909 7.315 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.506 8.479 5.945 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.004 8.083 7.607 1.00 0.21 H new ATOM 655 N GLU A 129 -2.933 7.895 6.223 1.00 0.23 N ATOM 656 CA GLU A 129 -4.124 8.449 6.824 1.00 0.28 C ATOM 657 C GLU A 129 -5.258 8.312 5.833 1.00 0.25 C ATOM 658 O GLU A 129 -6.427 8.154 6.181 1.00 0.31 O ATOM 659 CB GLU A 129 -3.902 9.928 7.095 1.00 0.32 C ATOM 660 CG GLU A 129 -2.549 10.222 7.693 1.00 0.44 C ATOM 661 CD GLU A 129 -2.375 11.680 8.054 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.207 11.983 9.255 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.429 12.532 7.145 1.00 2.23 O ATOM 0 H GLU A 129 -2.196 8.579 6.053 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.354 7.929 7.754 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.009 10.482 6.163 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.678 10.288 7.771 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.410 9.612 8.586 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.773 9.932 6.985 1.00 0.44 H new ATOM 670 N ALA A 130 -4.848 8.351 4.582 1.00 0.21 N ATOM 671 CA ALA A 130 -5.729 8.449 3.464 1.00 0.25 C ATOM 672 C ALA A 130 -6.087 7.066 2.924 1.00 0.28 C ATOM 673 O ALA A 130 -6.954 6.925 2.065 1.00 0.33 O ATOM 674 CB ALA A 130 -5.038 9.284 2.390 1.00 0.26 C ATOM 0 H ALA A 130 -3.863 8.314 4.320 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.661 8.925 3.769 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.692 9.374 1.523 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.820 10.276 2.785 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.108 8.799 2.094 1.00 0.26 H new ATOM 680 N THR A 131 -5.417 6.049 3.455 1.00 0.26 N ATOM 681 CA THR A 131 -5.557 4.698 2.960 1.00 0.29 C ATOM 682 C THR A 131 -6.024 3.794 4.090 1.00 0.29 C ATOM 683 O THR A 131 -6.236 2.592 3.913 1.00 0.33 O ATOM 684 CB THR A 131 -4.229 4.184 2.367 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.430 2.951 1.661 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.220 3.981 3.471 1.00 0.28 C ATOM 0 H THR A 131 -4.767 6.144 4.236 1.00 0.26 H new ATOM 0 HA THR A 131 -6.298 4.690 2.161 1.00 0.29 H new ATOM 0 HB THR A 131 -3.854 4.928 1.664 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.071 2.395 2.150 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.284 3.618 3.046 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.044 4.928 3.981 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.603 3.250 4.184 1.00 0.28 H new ATOM 694 N GLN A 132 -6.161 4.421 5.254 1.00 0.25 N ATOM 695 CA GLN A 132 -6.546 3.768 6.495 1.00 0.25 C ATOM 696 C GLN A 132 -5.432 2.879 7.043 1.00 0.21 C ATOM 697 O GLN A 132 -5.610 1.682 7.259 1.00 0.23 O ATOM 698 CB GLN A 132 -7.847 2.985 6.354 1.00 0.32 C ATOM 699 CG GLN A 132 -9.057 3.861 6.072 1.00 0.41 C ATOM 700 CD GLN A 132 -10.354 3.078 6.029 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.786 2.616 4.972 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.983 2.918 7.182 1.00 2.15 N ATOM 0 H GLN A 132 -6.003 5.423 5.360 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.720 4.565 7.218 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.739 2.259 5.548 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.023 2.421 7.270 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.129 4.631 6.840 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.915 4.372 5.120 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.592 3.316 8.036 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -11.859 2.396 7.217 1.00 2.15 H new ATOM 711 N TYR A 133 -4.291 3.500 7.272 1.00 0.17 N ATOM 712 CA TYR A 133 -3.129 2.859 7.822 1.00 0.15 C ATOM 713 C TYR A 133 -2.382 3.911 8.589 1.00 0.15 C ATOM 714 O TYR A 133 -2.419 5.080 8.239 1.00 0.18 O ATOM 715 CB TYR A 133 -2.253 2.205 6.739 1.00 0.16 C ATOM 716 CG TYR A 133 -0.759 2.552 6.767 1.00 0.17 C ATOM 717 CD1 TYR A 133 0.041 2.461 7.922 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.135 2.962 5.601 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.365 2.770 7.892 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.201 3.267 5.575 1.00 0.25 C ATOM 721 CZ TYR A 133 1.945 3.167 6.725 1.00 0.19 C ATOM 722 OH TYR A 133 3.273 3.468 6.707 1.00 0.27 O ATOM 0 H TYR A 133 -4.151 4.490 7.073 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.422 2.038 8.476 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.354 1.123 6.826 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.650 2.485 5.763 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.406 2.139 8.851 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.713 3.043 4.693 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.956 2.701 8.793 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.667 3.585 4.654 1.00 0.25 H new ATOM 0 HH TYR A 133 3.792 2.672 6.948 1.00 0.27 H new ATOM 732 N ARG A 134 -1.763 3.533 9.666 1.00 0.15 N ATOM 733 CA ARG A 134 -1.033 4.479 10.459 1.00 0.18 C ATOM 734 C ARG A 134 0.176 3.791 11.052 1.00 0.19 C ATOM 735 O ARG A 134 0.225 2.564 11.042 1.00 0.18 O ATOM 736 CB ARG A 134 -1.943 5.010 11.547 1.00 0.18 C ATOM 737 CG ARG A 134 -3.378 5.201 11.080 1.00 0.22 C ATOM 738 CD ARG A 134 -4.154 3.900 11.130 1.00 0.25 C ATOM 739 NE ARG A 134 -4.771 3.669 12.437 1.00 0.28 N ATOM 740 CZ ARG A 134 -5.879 2.955 12.619 1.00 0.44 C ATOM 741 NH1 ARG A 134 -6.461 2.359 11.589 1.00 0.69 N ATOM 742 NH2 ARG A 134 -6.392 2.821 13.834 1.00 0.49 N ATOM 0 H ARG A 134 -1.748 2.576 10.017 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.693 5.316 9.848 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.930 4.322 12.392 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.554 5.963 11.906 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.870 5.944 11.707 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.382 5.590 10.062 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.928 3.912 10.363 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.485 3.072 10.895 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.325 4.080 13.257 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -6.060 2.447 10.655 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -7.310 1.812 11.730 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.937 3.266 14.631 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -7.241 2.273 13.971 1.00 0.49 H new ATOM 756 N GLN A 135 1.137 4.561 11.552 1.00 0.22 N ATOM 757 CA GLN A 135 2.372 4.002 12.078 1.00 0.25 C ATOM 758 C GLN A 135 2.153 2.816 12.959 1.00 0.24 C ATOM 759 O GLN A 135 1.191 2.735 13.729 1.00 0.30 O ATOM 760 CB GLN A 135 3.149 5.031 12.885 1.00 0.35 C ATOM 761 CG GLN A 135 4.424 4.470 13.490 1.00 0.88 C ATOM 762 CD GLN A 135 5.529 5.498 13.628 1.00 1.36 C ATOM 763 OE1 GLN A 135 5.271 6.684 13.820 1.00 1.87 O ATOM 764 NE2 GLN A 135 6.769 5.051 13.520 1.00 1.96 N ATOM 0 H GLN A 135 1.081 5.578 11.603 1.00 0.22 H new ATOM 0 HA GLN A 135 2.935 3.692 11.198 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.399 5.875 12.242 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.513 5.415 13.683 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.199 4.055 14.473 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.779 3.647 12.870 1.00 0.88 H new ATOM 0 HE21 GLN A 135 6.941 4.058 13.361 1.00 1.96 H new ATOM 0 HE22 GLN A 135 7.553 5.699 13.596 1.00 1.96 H new ATOM 773 N VAL A 136 3.090 1.906 12.853 1.00 0.23 N ATOM 774 CA VAL A 136 2.973 0.667 13.520 1.00 0.24 C ATOM 775 C VAL A 136 4.296 0.215 14.102 1.00 0.27 C ATOM 776 O VAL A 136 5.371 0.546 13.607 1.00 0.27 O ATOM 777 CB VAL A 136 2.401 -0.390 12.551 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.712 -1.809 12.969 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.916 -0.209 12.395 1.00 0.20 C ATOM 0 H VAL A 136 3.942 2.017 12.303 1.00 0.23 H new ATOM 0 HA VAL A 136 2.287 0.791 14.358 1.00 0.24 H new ATOM 0 HB VAL A 136 2.894 -0.230 11.592 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.283 -2.503 12.247 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.792 -1.948 13.008 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.286 -2.000 13.954 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.528 -0.962 11.709 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.432 -0.319 13.366 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.710 0.785 11.997 1.00 0.20 H new ATOM 789 N SER A 137 4.179 -0.520 15.180 1.00 0.31 N ATOM 790 CA SER A 137 5.293 -1.144 15.835 1.00 0.35 C ATOM 791 C SER A 137 5.960 -2.168 14.955 1.00 0.33 C ATOM 792 O SER A 137 7.181 -2.188 14.783 1.00 0.35 O ATOM 793 CB SER A 137 4.740 -1.824 17.050 1.00 0.39 C ATOM 794 OG SER A 137 3.560 -2.548 16.724 1.00 0.73 O ATOM 0 H SER A 137 3.284 -0.703 15.634 1.00 0.31 H new ATOM 0 HA SER A 137 6.046 -0.395 16.081 1.00 0.35 H new ATOM 0 HB2 SER A 137 5.486 -2.502 17.466 1.00 0.39 H new ATOM 0 HB3 SER A 137 4.518 -1.084 17.819 1.00 0.39 H new ATOM 0 HG SER A 137 3.213 -2.987 17.528 1.00 0.73 H new ATOM 800 N LYS A 138 5.133 -3.010 14.406 1.00 0.30 N ATOM 801 CA LYS A 138 5.567 -4.084 13.576 1.00 0.30 C ATOM 802 C LYS A 138 4.451 -4.470 12.655 1.00 0.27 C ATOM 803 O LYS A 138 3.386 -4.932 13.071 1.00 0.28 O ATOM 804 CB LYS A 138 5.980 -5.237 14.432 1.00 0.35 C ATOM 805 CG LYS A 138 4.923 -5.611 15.422 1.00 0.37 C ATOM 806 CD LYS A 138 5.269 -6.898 16.146 1.00 0.43 C ATOM 807 CE LYS A 138 5.445 -8.041 15.158 1.00 0.44 C ATOM 808 NZ LYS A 138 5.842 -9.308 15.826 1.00 0.51 N ATOM 0 H LYS A 138 4.121 -2.964 14.528 1.00 0.30 H new ATOM 0 HA LYS A 138 6.425 -3.778 12.977 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.203 -6.096 13.799 1.00 0.35 H new ATOM 0 HB3 LYS A 138 6.899 -4.984 14.961 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.801 -4.806 16.147 1.00 0.37 H new ATOM 0 HG3 LYS A 138 3.968 -5.726 14.910 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.186 -6.763 16.720 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.481 -7.144 16.857 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.513 -8.196 14.615 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.201 -7.769 14.422 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 5.950 -10.057 15.113 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 6.745 -9.170 16.323 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.109 -9.584 16.510 1.00 0.51 H new ATOM 822 N MET A 139 4.679 -4.232 11.405 1.00 0.25 N ATOM 823 CA MET A 139 3.621 -4.278 10.457 1.00 0.25 C ATOM 824 C MET A 139 3.289 -5.706 10.076 1.00 0.26 C ATOM 825 O MET A 139 3.964 -6.375 9.296 1.00 0.30 O ATOM 826 CB MET A 139 3.991 -3.416 9.259 1.00 0.33 C ATOM 827 CG MET A 139 5.002 -4.035 8.326 1.00 0.70 C ATOM 828 SD MET A 139 6.578 -4.351 9.146 1.00 2.16 S ATOM 829 CE MET A 139 7.000 -5.947 8.458 1.00 2.71 C ATOM 0 H MET A 139 5.594 -4.003 11.018 1.00 0.25 H new ATOM 0 HA MET A 139 2.711 -3.871 10.897 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.085 -3.193 8.695 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.384 -2.465 9.620 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.605 -4.970 7.931 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.163 -3.373 7.475 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.075 -6.106 8.540 1.00 2.71 H new ATOM 0 HE2 MET A 139 6.475 -6.730 9.006 1.00 2.71 H new ATOM 0 HE3 MET A 139 6.707 -5.980 7.409 1.00 2.71 H new ATOM 839 N THR A 140 2.244 -6.172 10.690 1.00 0.25 N ATOM 840 CA THR A 140 1.581 -7.351 10.242 1.00 0.26 C ATOM 841 C THR A 140 0.159 -7.306 10.751 1.00 0.27 C ATOM 842 O THR A 140 -0.156 -7.732 11.865 1.00 0.30 O ATOM 843 CB THR A 140 2.320 -8.583 10.782 1.00 0.31 C ATOM 844 OG1 THR A 140 1.569 -9.784 10.559 1.00 0.35 O ATOM 845 CG2 THR A 140 2.631 -8.405 12.262 1.00 0.34 C ATOM 0 H THR A 140 1.829 -5.742 11.517 1.00 0.25 H new ATOM 0 HA THR A 140 1.575 -7.410 9.154 1.00 0.26 H new ATOM 0 HB THR A 140 3.259 -8.679 10.237 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.066 -10.551 10.912 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.155 -9.286 12.632 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.259 -7.525 12.398 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.701 -8.276 12.816 1.00 0.34 H new ATOM 853 N ARG A 141 -0.693 -6.812 9.888 1.00 0.25 N ATOM 854 CA ARG A 141 -2.113 -6.788 10.079 1.00 0.28 C ATOM 855 C ARG A 141 -2.761 -6.825 8.719 1.00 0.30 C ATOM 856 O ARG A 141 -2.067 -6.714 7.717 1.00 0.45 O ATOM 857 CB ARG A 141 -2.487 -5.516 10.824 1.00 0.30 C ATOM 858 CG ARG A 141 -1.743 -5.403 12.119 1.00 0.38 C ATOM 859 CD ARG A 141 -0.680 -4.335 12.068 1.00 1.01 C ATOM 860 NE ARG A 141 -0.258 -3.922 13.406 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.708 -2.838 14.037 1.00 1.74 C ATOM 862 NH1 ARG A 141 -1.609 -2.049 13.462 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.259 -2.548 15.249 1.00 1.97 N ATOM 0 H ARG A 141 -0.401 -6.401 9.001 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.451 -7.642 10.665 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.268 -4.649 10.200 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.560 -5.507 11.017 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -2.445 -5.178 12.922 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.283 -6.362 12.358 1.00 0.38 H new ATOM 0 HD2 ARG A 141 0.182 -4.707 11.514 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.060 -3.470 11.524 1.00 1.01 H new ATOM 0 HE ARG A 141 0.427 -4.503 13.889 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -1.961 -2.271 12.531 1.00 2.38 H new ATOM 0 HH12 ARG A 141 -1.948 -1.221 13.952 1.00 2.38 H new ATOM 0 HH21 ARG A 141 0.429 -3.154 15.696 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -0.601 -1.719 15.735 1.00 1.97 H new ATOM 877 N PRO A 142 -4.070 -6.975 8.613 1.00 0.36 N ATOM 878 CA PRO A 142 -4.709 -6.657 7.364 1.00 0.39 C ATOM 879 C PRO A 142 -4.949 -5.152 7.264 1.00 0.32 C ATOM 880 O PRO A 142 -5.747 -4.589 8.012 1.00 0.37 O ATOM 881 CB PRO A 142 -6.026 -7.426 7.432 1.00 0.53 C ATOM 882 CG PRO A 142 -6.321 -7.584 8.891 1.00 0.79 C ATOM 883 CD PRO A 142 -5.003 -7.490 9.628 1.00 0.55 C ATOM 0 HA PRO A 142 -4.115 -6.926 6.490 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.824 -6.883 6.927 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.940 -8.396 6.942 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -7.008 -6.809 9.231 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.802 -8.543 9.084 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -5.071 -6.821 10.485 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.686 -8.462 10.007 1.00 0.55 H new ATOM 891 N GLY A 143 -4.237 -4.505 6.353 1.00 0.27 N ATOM 892 CA GLY A 143 -4.518 -3.109 6.042 1.00 0.27 C ATOM 893 C GLY A 143 -3.839 -2.100 6.968 1.00 0.26 C ATOM 894 O GLY A 143 -4.063 -0.900 6.833 1.00 0.38 O ATOM 0 H GLY A 143 -3.470 -4.917 5.822 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.205 -2.909 5.017 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.596 -2.951 6.083 1.00 0.27 H new ATOM 898 N GLU A 144 -3.001 -2.565 7.890 1.00 0.17 N ATOM 899 CA GLU A 144 -2.295 -1.658 8.798 1.00 0.14 C ATOM 900 C GLU A 144 -0.813 -1.824 8.588 1.00 0.11 C ATOM 901 O GLU A 144 -0.312 -2.949 8.569 1.00 0.12 O ATOM 902 CB GLU A 144 -2.647 -1.959 10.248 1.00 0.18 C ATOM 903 CG GLU A 144 -4.103 -1.706 10.600 1.00 0.40 C ATOM 904 CD GLU A 144 -4.509 -0.256 10.419 1.00 0.84 C ATOM 905 OE1 GLU A 144 -3.655 0.636 10.602 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.699 -0.007 10.131 1.00 1.44 O ATOM 0 H GLU A 144 -2.794 -3.554 8.030 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.595 -0.632 8.584 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.410 -3.002 10.459 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.017 -1.351 10.897 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.737 -2.336 9.977 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.278 -2.001 11.635 1.00 0.40 H new ATOM 913 N PHE A 145 -0.098 -0.720 8.457 1.00 0.10 N ATOM 914 CA PHE A 145 1.272 -0.797 7.960 1.00 0.10 C ATOM 915 C PHE A 145 2.207 -0.059 8.888 1.00 0.09 C ATOM 916 O PHE A 145 1.767 0.619 9.799 1.00 0.10 O ATOM 917 CB PHE A 145 1.395 -0.209 6.539 1.00 0.16 C ATOM 918 CG PHE A 145 0.325 -0.631 5.541 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.315 -1.853 5.636 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.023 0.203 4.490 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.276 -2.230 4.717 1.00 0.25 C ATOM 922 CE2 PHE A 145 -0.984 -0.166 3.569 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.611 -1.385 3.683 1.00 0.27 C ATOM 0 H PHE A 145 -0.428 0.219 8.680 1.00 0.10 H new ATOM 0 HA PHE A 145 1.546 -1.851 7.921 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.382 0.878 6.616 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.368 -0.488 6.136 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.060 -2.525 6.442 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.467 1.160 4.389 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.765 -3.189 4.810 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.243 0.502 2.760 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.363 -1.678 2.965 1.00 0.27 H new ATOM 933 N THR A 146 3.494 -0.164 8.644 1.00 0.09 N ATOM 934 CA THR A 146 4.445 0.542 9.447 1.00 0.12 C ATOM 935 C THR A 146 5.003 1.688 8.650 1.00 0.12 C ATOM 936 O THR A 146 5.236 1.567 7.446 1.00 0.15 O ATOM 937 CB THR A 146 5.600 -0.338 9.925 1.00 0.15 C ATOM 938 OG1 THR A 146 6.115 -1.119 8.843 1.00 0.16 O ATOM 939 CG2 THR A 146 5.183 -1.229 11.062 1.00 0.19 C ATOM 0 H THR A 146 3.897 -0.731 7.898 1.00 0.09 H new ATOM 0 HA THR A 146 3.918 0.892 10.335 1.00 0.12 H new ATOM 0 HB THR A 146 6.387 0.321 10.291 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.305 -2.028 9.157 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.030 -1.840 11.375 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.847 -0.617 11.899 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.369 -1.877 10.737 1.00 0.19 H new ATOM 947 N VAL A 147 5.181 2.802 9.300 1.00 0.14 N ATOM 948 CA VAL A 147 5.584 3.993 8.597 1.00 0.15 C ATOM 949 C VAL A 147 6.991 4.455 8.992 1.00 0.23 C ATOM 950 O VAL A 147 7.320 4.569 10.175 1.00 0.29 O ATOM 951 CB VAL A 147 4.525 5.089 8.788 1.00 0.28 C ATOM 952 CG1 VAL A 147 4.691 5.847 10.084 1.00 0.86 C ATOM 953 CG2 VAL A 147 4.513 5.996 7.585 1.00 0.73 C ATOM 0 H VAL A 147 5.056 2.914 10.306 1.00 0.14 H new ATOM 0 HA VAL A 147 5.647 3.763 7.533 1.00 0.15 H new ATOM 0 HB VAL A 147 3.550 4.608 8.868 1.00 0.28 H new ATOM 0 HG11 VAL A 147 3.914 6.608 10.163 1.00 0.86 H new ATOM 0 HG12 VAL A 147 4.608 5.156 10.923 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.670 6.325 10.103 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.761 6.773 7.723 1.00 0.73 H new ATOM 0 HG22 VAL A 147 5.494 6.457 7.467 1.00 0.73 H new ATOM 0 HG23 VAL A 147 4.276 5.415 6.694 1.00 0.73 H new ATOM 963 N GLN A 148 7.838 4.688 7.989 1.00 0.37 N ATOM 964 CA GLN A 148 9.222 5.075 8.240 1.00 0.51 C ATOM 965 C GLN A 148 9.527 6.479 7.709 1.00 0.58 C ATOM 966 O GLN A 148 9.387 7.459 8.441 1.00 1.16 O ATOM 967 CB GLN A 148 10.204 4.049 7.653 1.00 0.57 C ATOM 968 CG GLN A 148 10.134 2.672 8.311 1.00 1.20 C ATOM 969 CD GLN A 148 8.949 1.840 7.847 1.00 1.71 C ATOM 970 OE1 GLN A 148 8.514 1.940 6.703 1.00 2.45 O ATOM 971 NE2 GLN A 148 8.414 1.019 8.734 1.00 2.15 N ATOM 0 H GLN A 148 7.590 4.616 7.002 1.00 0.37 H new ATOM 0 HA GLN A 148 9.355 5.095 9.322 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.006 3.941 6.587 1.00 0.57 H new ATOM 0 HB3 GLN A 148 11.218 4.436 7.751 1.00 0.57 H new ATOM 0 HG2 GLN A 148 11.055 2.129 8.099 1.00 1.20 H new ATOM 0 HG3 GLN A 148 10.080 2.797 9.392 1.00 1.20 H new ATOM 0 HE21 GLN A 148 8.802 0.962 9.676 1.00 2.15 H new ATOM 0 HE22 GLN A 148 7.613 0.442 8.477 1.00 2.15 H new ATOM 980 N ALA A 149 9.930 6.587 6.441 1.00 0.40 N ATOM 981 CA ALA A 149 10.306 7.888 5.872 1.00 0.39 C ATOM 982 C ALA A 149 10.276 7.873 4.343 1.00 0.31 C ATOM 983 O ALA A 149 9.281 8.254 3.733 1.00 0.37 O ATOM 984 CB ALA A 149 11.681 8.315 6.372 1.00 0.49 C ATOM 0 H ALA A 149 10.005 5.802 5.794 1.00 0.40 H new ATOM 0 HA ALA A 149 9.566 8.615 6.208 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.942 9.281 5.939 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.664 8.397 7.459 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.422 7.573 6.076 1.00 0.49 H new ATOM 990 N ASN A 150 11.368 7.429 3.724 1.00 0.26 N ATOM 991 CA ASN A 150 11.436 7.336 2.263 1.00 0.24 C ATOM 992 C ASN A 150 10.785 6.064 1.816 1.00 0.19 C ATOM 993 O ASN A 150 10.626 5.804 0.626 1.00 0.20 O ATOM 994 CB ASN A 150 12.864 7.292 1.758 1.00 0.28 C ATOM 995 CG ASN A 150 13.704 8.466 2.222 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.712 9.528 1.602 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.433 8.274 3.313 1.00 1.00 N ATOM 0 H ASN A 150 12.215 7.129 4.206 1.00 0.26 H new ATOM 0 HA ASN A 150 10.936 8.220 1.867 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.331 6.366 2.093 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.856 7.269 0.668 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.029 9.023 3.667 1.00 1.00 H new ATOM 0 HD22 ASN A 150 14.398 7.378 3.799 1.00 1.00 H new ATOM 1004 N SER A 151 10.480 5.235 2.777 1.00 0.17 N ATOM 1005 CA SER A 151 9.795 4.013 2.506 1.00 0.20 C ATOM 1006 C SER A 151 8.769 3.752 3.592 1.00 0.20 C ATOM 1007 O SER A 151 8.981 4.102 4.755 1.00 0.27 O ATOM 1008 CB SER A 151 10.788 2.850 2.446 1.00 0.27 C ATOM 1009 OG SER A 151 11.844 3.125 1.543 1.00 0.94 O ATOM 0 H SER A 151 10.700 5.391 3.761 1.00 0.17 H new ATOM 0 HA SER A 151 9.292 4.097 1.543 1.00 0.20 H new ATOM 0 HB2 SER A 151 11.195 2.664 3.440 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.270 1.942 2.138 1.00 0.27 H new ATOM 0 HG SER A 151 11.827 2.473 0.811 1.00 0.94 H new ATOM 1015 N ILE A 152 7.653 3.190 3.198 1.00 0.18 N ATOM 1016 CA ILE A 152 6.684 2.660 4.124 1.00 0.17 C ATOM 1017 C ILE A 152 6.723 1.144 4.032 1.00 0.17 C ATOM 1018 O ILE A 152 7.350 0.600 3.128 1.00 0.19 O ATOM 1019 CB ILE A 152 5.286 3.208 3.792 1.00 0.18 C ATOM 1020 CG1 ILE A 152 5.147 4.599 4.409 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.168 2.281 4.254 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.796 5.211 4.174 1.00 0.20 C ATOM 0 H ILE A 152 7.390 3.087 2.218 1.00 0.18 H new ATOM 0 HA ILE A 152 6.918 2.964 5.144 1.00 0.17 H new ATOM 0 HB ILE A 152 5.187 3.272 2.708 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.329 4.535 5.482 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.914 5.253 3.994 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.203 2.717 3.994 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.272 1.313 3.764 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.228 2.149 5.334 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.758 6.198 4.636 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.620 5.305 3.102 1.00 0.20 H new ATOM 0 HD13 ILE A 152 3.027 4.575 4.613 1.00 0.20 H new ATOM 1034 N GLU A 153 6.096 0.456 4.951 1.00 0.16 N ATOM 1035 CA GLU A 153 5.980 -0.972 4.811 1.00 0.14 C ATOM 1036 C GLU A 153 4.527 -1.385 4.853 1.00 0.23 C ATOM 1037 O GLU A 153 3.901 -1.336 5.905 1.00 0.56 O ATOM 1038 CB GLU A 153 6.741 -1.710 5.881 1.00 0.18 C ATOM 1039 CG GLU A 153 7.030 -3.126 5.453 1.00 0.27 C ATOM 1040 CD GLU A 153 8.235 -3.729 6.151 1.00 0.50 C ATOM 1041 OE1 GLU A 153 8.500 -4.938 5.956 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.918 -3.005 6.908 1.00 0.72 O ATOM 0 H GLU A 153 5.666 0.851 5.788 1.00 0.16 H new ATOM 0 HA GLU A 153 6.414 -1.236 3.847 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.676 -1.191 6.092 1.00 0.18 H new ATOM 0 HB3 GLU A 153 6.164 -1.716 6.806 1.00 0.18 H new ATOM 0 HG2 GLU A 153 6.155 -3.745 5.653 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.195 -3.146 4.376 1.00 0.27 H new ATOM 1049 N MET A 154 4.010 -1.830 3.724 1.00 0.13 N ATOM 1050 CA MET A 154 2.585 -2.038 3.581 1.00 0.13 C ATOM 1051 C MET A 154 2.266 -3.512 3.381 1.00 0.15 C ATOM 1052 O MET A 154 2.884 -4.188 2.563 1.00 0.18 O ATOM 1053 CB MET A 154 2.064 -1.203 2.400 1.00 0.19 C ATOM 1054 CG MET A 154 2.257 -1.844 1.034 1.00 0.94 C ATOM 1055 SD MET A 154 0.722 -2.541 0.385 1.00 0.73 S ATOM 1056 CE MET A 154 1.267 -3.191 -1.192 1.00 1.32 C ATOM 0 H MET A 154 4.557 -2.054 2.893 1.00 0.13 H new ATOM 0 HA MET A 154 2.087 -1.716 4.496 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.001 -1.011 2.549 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.567 -0.236 2.407 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.640 -1.100 0.336 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.009 -2.630 1.106 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.513 -3.874 -1.584 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.413 -2.369 -1.893 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.207 -3.726 -1.060 1.00 1.32 H new ATOM 1066 N ILE A 155 1.324 -4.020 4.161 1.00 0.16 N ATOM 1067 CA ILE A 155 0.833 -5.362 3.951 1.00 0.19 C ATOM 1068 C ILE A 155 0.160 -5.460 2.590 1.00 0.27 C ATOM 1069 O ILE A 155 -0.648 -4.602 2.230 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.185 -5.816 5.011 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.067 -5.143 6.368 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.101 -7.330 5.139 1.00 0.25 C ATOM 1073 CD1 ILE A 155 0.872 -5.969 7.338 1.00 0.24 C ATOM 0 H ILE A 155 0.890 -3.523 4.939 1.00 0.16 H new ATOM 0 HA ILE A 155 1.705 -6.012 4.020 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.185 -5.519 4.695 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.584 -4.198 6.200 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.894 -4.904 6.824 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.816 -7.672 5.887 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.333 -7.790 4.178 1.00 0.25 H new ATOM 0 HG23 ILE A 155 0.906 -7.614 5.444 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.001 -5.415 8.268 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.349 -6.904 7.541 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.849 -6.186 6.907 1.00 0.24 H new ATOM 1297 N VAL A 169 0.639 -11.344 3.944 1.00 0.38 N ATOM 1298 CA VAL A 169 1.917 -10.961 3.386 1.00 0.32 C ATOM 1299 C VAL A 169 2.062 -9.476 3.391 1.00 0.26 C ATOM 1300 O VAL A 169 1.129 -8.761 3.079 1.00 0.29 O ATOM 1301 CB VAL A 169 2.098 -11.378 1.938 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.402 -10.783 1.420 1.00 0.36 C ATOM 1303 CG2 VAL A 169 2.062 -12.887 1.804 1.00 0.48 C ATOM 0 HA VAL A 169 2.655 -11.465 4.011 1.00 0.32 H new ATOM 0 HB VAL A 169 1.276 -10.997 1.332 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.547 -11.074 0.380 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.359 -9.696 1.490 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.234 -11.153 2.019 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.194 -13.163 0.758 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.864 -13.324 2.398 1.00 0.48 H new ATOM 0 HG23 VAL A 169 1.102 -13.261 2.160 1.00 0.48 H new ATOM 1313 N ARG A 170 3.257 -9.032 3.656 1.00 0.23 N ATOM 1314 CA ARG A 170 3.536 -7.632 3.667 1.00 0.20 C ATOM 1315 C ARG A 170 4.722 -7.278 2.817 1.00 0.19 C ATOM 1316 O ARG A 170 5.689 -8.035 2.690 1.00 0.25 O ATOM 1317 CB ARG A 170 3.688 -7.166 5.083 1.00 0.26 C ATOM 1318 CG ARG A 170 4.414 -8.168 5.939 1.00 0.23 C ATOM 1319 CD ARG A 170 5.914 -8.168 5.737 1.00 0.39 C ATOM 1320 NE ARG A 170 6.589 -8.923 6.791 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.499 -9.871 6.575 1.00 0.96 C ATOM 1322 NH1 ARG A 170 7.856 -10.192 5.339 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.046 -10.506 7.598 1.00 1.61 N ATOM 0 H ARG A 170 4.057 -9.628 3.868 1.00 0.23 H new ATOM 0 HA ARG A 170 2.693 -7.107 3.218 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.230 -6.220 5.096 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.703 -6.975 5.508 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.198 -7.962 6.987 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.027 -9.164 5.724 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.153 -8.601 4.766 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.282 -7.142 5.728 1.00 0.39 H new ATOM 0 HE ARG A 170 6.346 -8.709 7.758 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.433 -9.712 4.545 1.00 1.39 H new ATOM 0 HH12 ARG A 170 8.554 -10.919 5.182 1.00 1.39 H new ATOM 0 HH21 ARG A 170 7.771 -10.269 8.551 1.00 1.61 H new ATOM 0 HH22 ARG A 170 8.743 -11.232 7.434 1.00 1.61 H new ATOM 1337 N ALA A 171 4.602 -6.131 2.210 1.00 0.17 N ATOM 1338 CA ALA A 171 5.596 -5.628 1.305 1.00 0.16 C ATOM 1339 C ALA A 171 6.227 -4.365 1.854 1.00 0.16 C ATOM 1340 O ALA A 171 5.720 -3.767 2.795 1.00 0.20 O ATOM 1341 CB ALA A 171 4.961 -5.360 -0.047 1.00 0.16 C ATOM 0 H ALA A 171 3.801 -5.511 2.332 1.00 0.17 H new ATOM 0 HA ALA A 171 6.382 -6.375 1.190 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.716 -4.978 -0.734 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.545 -6.286 -0.443 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.166 -4.623 0.064 1.00 0.16 H new ATOM 1347 N ARG A 172 7.323 -3.955 1.251 1.00 0.16 N ATOM 1348 CA ARG A 172 8.003 -2.752 1.656 1.00 0.18 C ATOM 1349 C ARG A 172 7.922 -1.780 0.529 1.00 0.18 C ATOM 1350 O ARG A 172 8.370 -2.039 -0.584 1.00 0.22 O ATOM 1351 CB ARG A 172 9.451 -2.996 2.066 1.00 0.24 C ATOM 1352 CG ARG A 172 10.248 -1.715 2.254 1.00 0.79 C ATOM 1353 CD ARG A 172 11.355 -1.876 3.283 1.00 1.08 C ATOM 1354 NE ARG A 172 12.243 -3.000 2.991 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.559 -2.980 3.211 1.00 2.59 C ATOM 1356 NH1 ARG A 172 14.147 -1.876 3.655 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.288 -4.066 2.995 1.00 3.69 N ATOM 0 H ARG A 172 7.762 -4.445 0.472 1.00 0.16 H new ATOM 0 HA ARG A 172 7.513 -2.355 2.545 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.467 -3.565 2.996 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.937 -3.610 1.308 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.681 -1.415 1.300 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.578 -0.914 2.566 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.941 -0.958 3.326 1.00 1.08 H new ATOM 0 HD3 ARG A 172 10.911 -2.017 4.268 1.00 1.08 H new ATOM 0 HE ARG A 172 11.834 -3.847 2.597 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.593 -1.038 3.830 1.00 2.48 H new ATOM 0 HH12 ARG A 172 15.153 -1.866 3.822 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.843 -4.920 2.660 1.00 3.69 H new ATOM 0 HH22 ARG A 172 15.294 -4.047 3.164 1.00 3.69 H new ATOM 1371 N LEU A 173 7.336 -0.674 0.834 1.00 0.20 N ATOM 1372 CA LEU A 173 6.871 0.238 -0.151 1.00 0.24 C ATOM 1373 C LEU A 173 7.670 1.532 -0.091 1.00 0.25 C ATOM 1374 O LEU A 173 7.607 2.275 0.868 1.00 0.48 O ATOM 1375 CB LEU A 173 5.394 0.442 0.122 1.00 0.37 C ATOM 1376 CG LEU A 173 4.911 1.849 -0.035 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.584 2.138 -1.470 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.758 2.109 0.919 1.00 0.54 C ATOM 0 H LEU A 173 7.164 -0.373 1.793 1.00 0.20 H new ATOM 0 HA LEU A 173 7.006 -0.142 -1.164 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.824 -0.199 -0.550 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.178 0.111 1.138 1.00 0.37 H new ATOM 0 HG LEU A 173 5.703 2.547 0.236 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.234 3.166 -1.564 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.476 2.001 -2.081 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.803 1.457 -1.810 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.411 3.135 0.799 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.941 1.422 0.698 1.00 0.54 H new ATOM 0 HD23 LEU A 173 4.093 1.957 1.945 1.00 0.54 H new ATOM 1390 N THR A 174 8.411 1.795 -1.130 1.00 0.17 N ATOM 1391 CA THR A 174 9.365 2.875 -1.124 1.00 0.15 C ATOM 1392 C THR A 174 8.964 3.978 -2.065 1.00 0.13 C ATOM 1393 O THR A 174 8.357 3.729 -3.098 1.00 0.12 O ATOM 1394 CB THR A 174 10.748 2.349 -1.497 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.211 1.415 -0.514 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.710 3.493 -1.617 1.00 0.20 C ATOM 0 H THR A 174 8.373 1.270 -2.004 1.00 0.17 H new ATOM 0 HA THR A 174 9.391 3.291 -0.117 1.00 0.15 H new ATOM 0 HB THR A 174 10.682 1.835 -2.456 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.098 1.086 -0.768 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.696 3.113 -1.883 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.365 4.179 -2.390 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.769 4.020 -0.665 1.00 0.20 H new ATOM 1404 N PHE A 175 9.293 5.203 -1.679 1.00 0.16 N ATOM 1405 CA PHE A 175 9.009 6.356 -2.494 1.00 0.17 C ATOM 1406 C PHE A 175 10.280 7.093 -2.899 1.00 0.19 C ATOM 1407 O PHE A 175 11.008 7.609 -2.054 1.00 0.32 O ATOM 1408 CB PHE A 175 8.100 7.297 -1.768 1.00 0.30 C ATOM 1409 CG PHE A 175 7.405 6.668 -0.620 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.252 5.981 -0.850 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.898 6.747 0.671 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.571 5.382 0.150 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.215 6.140 1.700 1.00 0.22 C ATOM 1414 CZ PHE A 175 6.045 5.457 1.435 1.00 0.15 C ATOM 0 H PHE A 175 9.760 5.415 -0.798 1.00 0.16 H new ATOM 0 HA PHE A 175 8.520 5.996 -3.400 1.00 0.17 H new ATOM 0 HB2 PHE A 175 8.679 8.149 -1.411 1.00 0.30 H new ATOM 0 HB3 PHE A 175 7.358 7.686 -2.465 1.00 0.30 H new ATOM 0 HD1 PHE A 175 5.872 5.914 -1.859 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.815 7.283 0.870 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.657 4.846 -0.061 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.593 6.198 2.710 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.503 4.982 2.239 1.00 0.15 H new ATOM 1424 N ASP A 176 10.523 7.145 -4.196 1.00 0.16 N ATOM 1425 CA ASP A 176 11.713 7.795 -4.750 1.00 0.20 C ATOM 1426 C ASP A 176 11.397 9.204 -5.224 1.00 0.19 C ATOM 1427 O ASP A 176 10.850 9.400 -6.308 1.00 0.20 O ATOM 1428 CB ASP A 176 12.273 6.990 -5.930 1.00 0.29 C ATOM 1429 CG ASP A 176 13.585 7.548 -6.458 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.561 8.509 -7.258 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.653 7.015 -6.083 1.00 0.68 O ATOM 0 H ASP A 176 9.906 6.740 -4.900 1.00 0.16 H new ATOM 0 HA ASP A 176 12.456 7.842 -3.954 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.423 5.956 -5.619 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.539 6.978 -6.736 1.00 0.29 H new ATOM 1436 N GLY A 177 11.726 10.185 -4.413 1.00 0.21 N ATOM 1437 CA GLY A 177 11.591 11.556 -4.851 1.00 0.23 C ATOM 1438 C GLY A 177 10.202 12.108 -4.695 1.00 0.23 C ATOM 1439 O GLY A 177 9.718 12.310 -3.579 1.00 0.27 O ATOM 0 H GLY A 177 12.082 10.064 -3.465 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.285 12.178 -4.286 1.00 0.23 H new ATOM 0 HA3 GLY A 177 11.883 11.623 -5.899 1.00 0.23 H new ATOM 1443 N ASP A 178 9.565 12.355 -5.827 1.00 0.22 N ATOM 1444 CA ASP A 178 8.235 12.930 -5.857 1.00 0.26 C ATOM 1445 C ASP A 178 7.307 11.866 -6.338 1.00 0.23 C ATOM 1446 O ASP A 178 6.124 12.104 -6.571 1.00 0.25 O ATOM 1447 CB ASP A 178 8.154 14.101 -6.824 1.00 0.34 C ATOM 1448 CG ASP A 178 7.229 15.204 -6.350 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.604 15.940 -5.414 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.138 15.367 -6.933 1.00 1.34 O ATOM 0 H ASP A 178 9.956 12.162 -6.749 1.00 0.22 H new ATOM 0 HA ASP A 178 7.978 13.291 -4.861 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.153 14.512 -6.972 1.00 0.34 H new ATOM 0 HB3 ASP A 178 7.811 13.740 -7.794 1.00 0.34 H new ATOM 1455 N HIS A 179 7.869 10.675 -6.477 1.00 0.19 N ATOM 1456 CA HIS A 179 7.137 9.539 -6.973 1.00 0.17 C ATOM 1457 C HIS A 179 7.505 8.262 -6.240 1.00 0.13 C ATOM 1458 O HIS A 179 8.537 8.180 -5.597 1.00 0.13 O ATOM 1459 CB HIS A 179 7.405 9.383 -8.469 1.00 0.22 C ATOM 1460 CG HIS A 179 8.811 9.005 -8.831 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.212 7.703 -9.028 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.906 9.770 -9.048 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.493 7.683 -9.345 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.938 8.923 -9.365 1.00 0.45 N ATOM 0 H HIS A 179 8.843 10.478 -6.248 1.00 0.19 H new ATOM 0 HA HIS A 179 6.076 9.716 -6.799 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.729 8.626 -8.866 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.159 10.322 -8.966 1.00 0.22 H new ATOM 0 HD1 HIS A 179 8.613 6.882 -8.942 1.00 1.28 H new ATOM 0 HD2 HIS A 179 9.958 10.847 -8.984 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.078 6.799 -9.553 1.00 1.05 H new ATOM 1473 N LEU A 180 6.625 7.277 -6.332 1.00 0.13 N ATOM 1474 CA LEU A 180 6.875 5.964 -5.748 1.00 0.12 C ATOM 1475 C LEU A 180 8.093 5.319 -6.342 1.00 0.14 C ATOM 1476 O LEU A 180 8.395 5.471 -7.526 1.00 0.22 O ATOM 1477 CB LEU A 180 5.694 5.048 -5.980 1.00 0.17 C ATOM 1478 CG LEU A 180 5.448 4.057 -4.865 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.593 4.758 -3.541 1.00 0.14 C ATOM 1480 CD2 LEU A 180 4.071 3.464 -4.991 1.00 0.20 C ATOM 0 H LEU A 180 5.727 7.361 -6.807 1.00 0.13 H new ATOM 0 HA LEU A 180 7.033 6.116 -4.680 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.799 5.655 -6.115 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.851 4.500 -6.909 1.00 0.17 H new ATOM 0 HG LEU A 180 6.177 3.249 -4.930 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.417 4.049 -2.732 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.600 5.165 -3.453 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.867 5.569 -3.477 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.906 2.752 -4.182 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.326 4.258 -4.933 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.982 2.952 -5.949 1.00 0.20 H new ATOM 1492 N ALA A 181 8.779 4.591 -5.502 1.00 0.12 N ATOM 1493 CA ALA A 181 9.956 3.901 -5.900 1.00 0.13 C ATOM 1494 C ALA A 181 9.658 2.447 -6.217 1.00 0.14 C ATOM 1495 O ALA A 181 10.041 1.934 -7.266 1.00 0.15 O ATOM 1496 CB ALA A 181 10.966 3.992 -4.794 1.00 0.13 C ATOM 0 H ALA A 181 8.529 4.465 -4.521 1.00 0.12 H new ATOM 0 HA ALA A 181 10.350 4.362 -6.806 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.875 3.466 -5.087 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.199 5.039 -4.600 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.559 3.537 -3.891 1.00 0.13 H new ATOM 1502 N THR A 182 8.962 1.797 -5.295 1.00 0.15 N ATOM 1503 CA THR A 182 8.679 0.377 -5.399 1.00 0.18 C ATOM 1504 C THR A 182 7.849 -0.089 -4.224 1.00 0.17 C ATOM 1505 O THR A 182 7.549 0.675 -3.312 1.00 0.16 O ATOM 1506 CB THR A 182 9.975 -0.449 -5.405 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.722 -1.795 -5.842 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.554 -0.460 -4.002 1.00 0.24 C ATOM 0 H THR A 182 8.580 2.239 -4.459 1.00 0.15 H new ATOM 0 HA THR A 182 8.138 0.230 -6.334 1.00 0.18 H new ATOM 0 HB THR A 182 10.684 0.002 -6.099 1.00 0.22 H new ATOM 0 HG1 THR A 182 9.682 -2.389 -5.064 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.475 -1.043 -3.993 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.769 0.562 -3.689 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.835 -0.906 -3.315 1.00 0.24 H new ATOM 1516 N ILE A 183 7.513 -1.357 -4.275 1.00 0.20 N ATOM 1517 CA ILE A 183 6.803 -2.056 -3.237 1.00 0.18 C ATOM 1518 C ILE A 183 7.203 -3.512 -3.348 1.00 0.20 C ATOM 1519 O ILE A 183 7.064 -4.105 -4.413 1.00 0.28 O ATOM 1520 CB ILE A 183 5.289 -1.942 -3.400 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.850 -0.538 -3.068 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.585 -2.950 -2.516 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.591 0.322 -4.270 1.00 0.20 C ATOM 0 H ILE A 183 7.737 -1.950 -5.074 1.00 0.20 H new ATOM 0 HA ILE A 183 7.054 -1.625 -2.268 1.00 0.18 H new ATOM 0 HB ILE A 183 5.022 -2.159 -4.434 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.943 -0.585 -2.466 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.616 -0.065 -2.454 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.507 -2.856 -2.644 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.897 -3.957 -2.793 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.844 -2.764 -1.474 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.280 1.315 -3.946 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.502 0.402 -4.863 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.803 -0.126 -4.875 1.00 0.20 H new ATOM 1535 N VAL A 184 7.724 -4.076 -2.289 1.00 0.21 N ATOM 1536 CA VAL A 184 8.309 -5.399 -2.369 1.00 0.24 C ATOM 1537 C VAL A 184 7.766 -6.339 -1.332 1.00 0.23 C ATOM 1538 O VAL A 184 7.902 -6.072 -0.147 1.00 0.22 O ATOM 1539 CB VAL A 184 9.812 -5.323 -2.155 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.399 -6.713 -2.122 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.452 -4.477 -3.232 1.00 0.34 C ATOM 0 H VAL A 184 7.758 -3.647 -1.364 1.00 0.21 H new ATOM 0 HA VAL A 184 8.059 -5.776 -3.361 1.00 0.24 H new ATOM 0 HB VAL A 184 10.016 -4.848 -1.195 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.476 -6.649 -1.968 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.949 -7.279 -1.306 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.196 -7.216 -3.068 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.528 -4.431 -3.067 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.253 -4.919 -4.208 1.00 0.34 H new ATOM 0 HG23 VAL A 184 10.036 -3.470 -3.199 1.00 0.34 H new ATOM 1551 N ASN A 185 7.216 -7.462 -1.766 1.00 0.29 N ATOM 1552 CA ASN A 185 6.814 -8.504 -0.839 1.00 0.32 C ATOM 1553 C ASN A 185 8.032 -8.952 -0.076 1.00 0.33 C ATOM 1554 O ASN A 185 8.863 -9.702 -0.557 1.00 0.40 O ATOM 1555 CB ASN A 185 6.167 -9.680 -1.571 1.00 0.44 C ATOM 1556 CG ASN A 185 4.771 -9.360 -2.069 1.00 0.98 C ATOM 1557 OD1 ASN A 185 4.417 -8.202 -2.269 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.974 -10.392 -2.286 1.00 1.57 N ATOM 0 H ASN A 185 7.039 -7.673 -2.748 1.00 0.29 H new ATOM 0 HA ASN A 185 6.066 -8.111 -0.150 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.793 -9.966 -2.416 1.00 0.44 H new ATOM 0 HB3 ASN A 185 6.122 -10.539 -0.902 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.027 -10.241 -2.632 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.306 -11.340 -2.107 1.00 1.57 H new ATOM 1565 N MET A 186 8.098 -8.444 1.127 1.00 0.31 N ATOM 1566 CA MET A 186 9.252 -8.517 1.996 1.00 0.36 C ATOM 1567 C MET A 186 9.640 -9.915 2.322 1.00 0.43 C ATOM 1568 O MET A 186 10.724 -10.179 2.837 1.00 0.53 O ATOM 1569 CB MET A 186 8.918 -7.761 3.253 1.00 0.36 C ATOM 1570 CG MET A 186 9.019 -6.278 3.066 1.00 0.34 C ATOM 1571 SD MET A 186 10.719 -5.755 2.746 1.00 0.94 S ATOM 1572 CE MET A 186 11.517 -6.221 4.282 1.00 1.42 C ATOM 0 H MET A 186 7.315 -7.945 1.550 1.00 0.31 H new ATOM 0 HA MET A 186 10.109 -8.080 1.483 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.907 -8.017 3.571 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.592 -8.071 4.051 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.382 -5.972 2.236 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.645 -5.773 3.957 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.439 -5.652 4.400 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.850 -6.009 5.118 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.748 -7.286 4.264 1.00 1.42 H new ATOM 1582 N GLU A 187 8.749 -10.800 2.026 1.00 0.43 N ATOM 1583 CA GLU A 187 8.959 -12.165 2.293 1.00 0.51 C ATOM 1584 C GLU A 187 9.949 -12.751 1.325 1.00 0.59 C ATOM 1585 O GLU A 187 10.876 -13.463 1.706 1.00 0.68 O ATOM 1586 CB GLU A 187 7.635 -12.853 2.195 1.00 0.50 C ATOM 1587 CG GLU A 187 6.541 -12.018 2.813 1.00 0.42 C ATOM 1588 CD GLU A 187 5.538 -12.840 3.588 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.269 -12.512 4.759 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.020 -13.821 3.027 1.00 0.67 O ATOM 0 H GLU A 187 7.852 -10.586 1.590 1.00 0.43 H new ATOM 0 HA GLU A 187 9.377 -12.299 3.291 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.400 -13.049 1.149 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.686 -13.819 2.696 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.987 -11.278 3.478 1.00 0.42 H new ATOM 0 HG3 GLU A 187 6.023 -11.469 2.027 1.00 0.42 H new ATOM 1597 N ASN A 188 9.754 -12.428 0.075 1.00 0.58 N ATOM 1598 CA ASN A 188 10.642 -12.925 -0.959 1.00 0.67 C ATOM 1599 C ASN A 188 11.588 -11.840 -1.450 1.00 0.64 C ATOM 1600 O ASN A 188 12.637 -12.149 -2.014 1.00 0.74 O ATOM 1601 CB ASN A 188 9.869 -13.551 -2.130 1.00 0.73 C ATOM 1602 CG ASN A 188 9.109 -12.547 -2.983 1.00 1.45 C ATOM 1603 OD1 ASN A 188 8.656 -11.515 -2.501 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.969 -12.850 -4.263 1.00 1.95 N ATOM 0 H ASN A 188 8.998 -11.829 -0.257 1.00 0.58 H new ATOM 0 HA ASN A 188 11.242 -13.714 -0.506 1.00 0.67 H new ATOM 0 HB2 ASN A 188 10.570 -14.093 -2.765 1.00 0.73 H new ATOM 0 HB3 ASN A 188 9.164 -14.283 -1.736 1.00 0.73 H new ATOM 0 HD21 ASN A 188 8.470 -12.215 -4.886 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.360 -13.719 -4.627 1.00 1.95 H new ATOM 1611 N ASN A 189 11.205 -10.581 -1.206 1.00 0.53 N ATOM 1612 CA ASN A 189 12.014 -9.398 -1.480 1.00 0.52 C ATOM 1613 C ASN A 189 12.848 -9.459 -2.766 1.00 0.61 C ATOM 1614 O ASN A 189 13.928 -8.871 -2.846 1.00 0.71 O ATOM 1615 CB ASN A 189 12.857 -9.079 -0.245 1.00 0.59 C ATOM 1616 CG ASN A 189 13.995 -10.059 0.051 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.622 -10.623 -0.843 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.267 -10.265 1.331 1.00 1.74 N ATOM 0 H ASN A 189 10.296 -10.356 -0.801 1.00 0.53 H new ATOM 0 HA ASN A 189 11.324 -8.579 -1.681 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.282 -8.082 -0.365 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.198 -9.042 0.623 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.014 -10.906 1.597 1.00 1.74 H new ATOM 0 HD22 ASN A 189 13.729 -9.782 2.051 1.00 1.74 H new