USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 MET CE :methyl -171:sc= -2.04 (180deg=-2.3) USER MOD Set 1.2: A 146 THR OG1 : rot 130:sc= -2.53 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.000954 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc=-0.000913 X(o=-0.00091,f=0) USER MOD Single : A 124 MET CE :methyl -111:sc= -1.74 (180deg=-3.22) USER MOD Single : A 126 LYS NZ :NH3+ 148:sc= -1.4 (180deg=-3.03!) USER MOD Single : A 131 THR OG1 : rot -40:sc= 0.278 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 133 TYR OH : rot 89:sc= -7.13! USER MOD Single : A 135 GLN : amide:sc= -0.573 K(o=-0.57,f=-0.014) 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= -1.16 K(o=-1.2,f=-0.1) USER MOD Single : A 150 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.8!) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -146:sc= 0 (180deg=-1.28) USER MOD Single : A 174 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 179 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-2.1) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 185 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.1!) USER MOD Single : A 186 MET CE :methyl -159:sc= -0.102 (180deg=-0.718) USER MOD Single : A 188 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.083) USER MOD Single : A 189 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.098 8.079 -8.180 1.00 0.27 N ATOM 468 CA THR A 118 4.178 9.036 -8.091 1.00 0.26 C ATOM 469 C THR A 118 3.881 10.005 -6.979 1.00 0.25 C ATOM 470 O THR A 118 3.032 10.890 -7.107 1.00 0.32 O ATOM 471 CB THR A 118 4.373 9.778 -9.416 1.00 0.30 C ATOM 472 OG1 THR A 118 4.979 8.918 -10.391 1.00 0.32 O ATOM 473 CG2 THR A 118 5.177 11.064 -9.260 1.00 0.32 C ATOM 0 HA THR A 118 5.106 8.506 -7.878 1.00 0.26 H new ATOM 0 HB THR A 118 3.381 10.068 -9.763 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.095 9.407 -11.232 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.283 11.547 -10.231 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.659 11.736 -8.575 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.164 10.830 -8.861 1.00 0.32 H new ATOM 481 N ILE A 119 4.549 9.796 -5.870 1.00 0.19 N ATOM 482 CA ILE A 119 4.253 10.521 -4.679 1.00 0.18 C ATOM 483 C ILE A 119 5.506 11.084 -4.031 1.00 0.19 C ATOM 484 O ILE A 119 6.617 10.669 -4.311 1.00 0.20 O ATOM 485 CB ILE A 119 3.639 9.597 -3.661 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.739 8.827 -3.002 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.647 8.663 -4.256 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.276 8.283 -1.745 1.00 0.17 C ATOM 0 H ILE A 119 5.307 9.120 -5.778 1.00 0.19 H new ATOM 0 HA ILE A 119 3.581 11.330 -4.966 1.00 0.18 H new ATOM 0 HB ILE A 119 3.095 10.202 -2.935 1.00 0.17 H new ATOM 0 HG12 ILE A 119 5.073 8.021 -3.656 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.598 9.476 -2.833 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.238 8.022 -3.476 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.841 9.234 -4.717 1.00 0.19 H new ATOM 0 HG23 ILE A 119 3.134 8.048 -5.013 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.083 7.724 -1.271 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.965 9.096 -1.089 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.431 7.618 -1.925 1.00 0.17 H new ATOM 500 N SER A 120 5.285 11.894 -3.046 1.00 0.21 N ATOM 501 CA SER A 120 6.346 12.644 -2.411 1.00 0.28 C ATOM 502 C SER A 120 6.353 12.345 -0.919 1.00 0.28 C ATOM 503 O SER A 120 5.462 11.653 -0.429 1.00 0.25 O ATOM 504 CB SER A 120 6.161 14.144 -2.672 1.00 0.36 C ATOM 505 OG SER A 120 7.281 14.896 -2.228 1.00 1.29 O ATOM 0 H SER A 120 4.360 12.062 -2.649 1.00 0.21 H new ATOM 0 HA SER A 120 7.307 12.347 -2.831 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.009 14.312 -3.738 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.263 14.494 -2.163 1.00 0.36 H new ATOM 0 HG SER A 120 7.130 15.847 -2.411 1.00 1.29 H new ATOM 511 N LYS A 121 7.336 12.873 -0.208 1.00 0.35 N ATOM 512 CA LYS A 121 7.513 12.575 1.222 1.00 0.40 C ATOM 513 C LYS A 121 6.236 12.802 2.046 1.00 0.36 C ATOM 514 O LYS A 121 5.900 12.011 2.924 1.00 0.38 O ATOM 515 CB LYS A 121 8.661 13.398 1.807 1.00 0.50 C ATOM 516 CG LYS A 121 10.017 13.050 1.217 1.00 1.34 C ATOM 517 CD LYS A 121 11.140 13.816 1.897 1.00 1.71 C ATOM 518 CE LYS A 121 12.488 13.447 1.304 1.00 2.46 C ATOM 519 NZ LYS A 121 13.604 14.190 1.944 1.00 3.26 N ATOM 0 H LYS A 121 8.031 13.514 -0.591 1.00 0.35 H new ATOM 0 HA LYS A 121 7.752 11.514 1.285 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.461 14.456 1.639 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.693 13.247 2.886 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.194 11.979 1.318 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.018 13.274 0.150 1.00 1.34 H new ATOM 0 HD2 LYS A 121 10.972 14.887 1.788 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.137 13.600 2.965 1.00 1.71 H new ATOM 0 HE2 LYS A 121 12.653 12.376 1.420 1.00 2.46 H new ATOM 0 HE3 LYS A 121 12.482 13.655 0.234 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 14.505 13.907 1.508 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.462 15.212 1.812 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 13.628 13.972 2.961 1.00 3.26 H new ATOM 533 N ASN A 122 5.532 13.883 1.792 1.00 0.37 N ATOM 534 CA ASN A 122 4.300 14.151 2.508 1.00 0.37 C ATOM 535 C ASN A 122 3.142 13.450 1.835 1.00 0.30 C ATOM 536 O ASN A 122 2.089 13.250 2.441 1.00 0.29 O ATOM 537 CB ASN A 122 4.034 15.647 2.595 1.00 0.48 C ATOM 538 CG ASN A 122 3.019 15.996 3.671 1.00 1.22 C ATOM 539 OD1 ASN A 122 3.377 16.228 4.825 1.00 2.17 O ATOM 540 ND2 ASN A 122 1.749 16.043 3.302 1.00 1.64 N ATOM 0 H ASN A 122 5.787 14.588 1.100 1.00 0.37 H new ATOM 0 HA ASN A 122 4.405 13.766 3.522 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.969 16.168 2.800 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.674 16.005 1.631 1.00 0.48 H new ATOM 0 HD21 ASN A 122 1.028 16.278 3.984 1.00 1.64 H new ATOM 0 HD22 ASN A 122 1.491 15.844 2.335 1.00 1.64 H new ATOM 547 N GLU A 123 3.338 13.059 0.585 1.00 0.27 N ATOM 548 CA GLU A 123 2.277 12.472 -0.168 1.00 0.25 C ATOM 549 C GLU A 123 1.927 11.118 0.349 1.00 0.21 C ATOM 550 O GLU A 123 0.818 10.677 0.207 1.00 0.26 O ATOM 551 CB GLU A 123 2.570 12.440 -1.639 1.00 0.27 C ATOM 552 CG GLU A 123 1.674 13.385 -2.388 1.00 0.30 C ATOM 553 CD GLU A 123 1.893 13.366 -3.884 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.006 13.715 -4.324 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.960 12.989 -4.624 1.00 0.50 O ATOM 0 H GLU A 123 4.223 13.143 0.086 1.00 0.27 H new ATOM 0 HA GLU A 123 1.406 13.113 -0.037 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.612 12.708 -1.812 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.434 11.427 -2.018 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.635 13.131 -2.178 1.00 0.30 H new ATOM 0 HG3 GLU A 123 1.836 14.397 -2.018 1.00 0.30 H new ATOM 562 N MET A 124 2.844 10.467 0.983 1.00 0.19 N ATOM 563 CA MET A 124 2.488 9.198 1.584 1.00 0.20 C ATOM 564 C MET A 124 1.981 9.423 2.976 1.00 0.17 C ATOM 565 O MET A 124 1.190 8.646 3.497 1.00 0.16 O ATOM 566 CB MET A 124 3.615 8.172 1.591 1.00 0.27 C ATOM 567 CG MET A 124 4.790 8.516 2.487 1.00 1.21 C ATOM 568 SD MET A 124 6.074 9.428 1.623 1.00 2.28 S ATOM 569 CE MET A 124 7.361 9.431 2.866 1.00 3.06 C ATOM 0 H MET A 124 3.812 10.765 1.104 1.00 0.19 H new ATOM 0 HA MET A 124 1.706 8.771 0.957 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.208 7.210 1.904 1.00 0.27 H new ATOM 0 HB3 MET A 124 3.979 8.048 0.571 1.00 0.27 H new ATOM 0 HG2 MET A 124 4.437 9.106 3.333 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.213 7.598 2.894 1.00 1.21 H new ATOM 0 HE1 MET A 124 7.497 10.443 3.247 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.077 8.770 3.685 1.00 3.06 H new ATOM 0 HE3 MET A 124 8.294 9.081 2.424 1.00 3.06 H new ATOM 579 N VAL A 125 2.419 10.518 3.550 1.00 0.20 N ATOM 580 CA VAL A 125 2.085 10.863 4.907 1.00 0.22 C ATOM 581 C VAL A 125 0.601 11.088 5.078 1.00 0.21 C ATOM 582 O VAL A 125 0.037 10.906 6.151 1.00 0.23 O ATOM 583 CB VAL A 125 2.850 12.118 5.320 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.054 12.950 6.308 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.199 11.720 5.879 1.00 0.32 C ATOM 0 H VAL A 125 3.021 11.197 3.084 1.00 0.20 H new ATOM 0 HA VAL A 125 2.370 10.027 5.546 1.00 0.22 H new ATOM 0 HB VAL A 125 3.007 12.746 4.443 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.627 13.836 6.582 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.112 13.254 5.852 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.851 12.359 7.201 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.748 12.614 6.175 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.058 11.077 6.747 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.764 11.182 5.118 1.00 0.32 H new ATOM 595 N LYS A 126 -0.001 11.541 4.028 1.00 0.20 N ATOM 596 CA LYS A 126 -1.432 11.622 3.955 1.00 0.20 C ATOM 597 C LYS A 126 -2.006 10.263 3.634 1.00 0.16 C ATOM 598 O LYS A 126 -2.999 9.869 4.203 1.00 0.19 O ATOM 599 CB LYS A 126 -1.789 12.592 2.864 1.00 0.24 C ATOM 600 CG LYS A 126 -1.253 12.107 1.537 1.00 0.32 C ATOM 601 CD LYS A 126 -0.556 13.129 0.701 1.00 0.39 C ATOM 602 CE LYS A 126 -1.408 14.342 0.365 1.00 0.59 C ATOM 603 NZ LYS A 126 -1.570 15.292 1.498 1.00 1.51 N ATOM 0 H LYS A 126 0.482 11.868 3.191 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.840 11.956 4.909 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.872 12.705 2.808 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.378 13.575 3.093 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.561 11.286 1.725 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -2.082 11.698 0.960 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.340 13.462 1.225 1.00 0.39 H new ATOM 0 HD3 LYS A 126 -0.227 12.661 -0.227 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.959 14.868 -0.477 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -2.393 14.005 0.042 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.652 16.261 1.129 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -2.429 15.051 2.033 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.743 15.229 2.125 1.00 1.51 H new ATOM 617 N LEU A 127 -1.355 9.557 2.720 1.00 0.15 N ATOM 618 CA LEU A 127 -1.848 8.303 2.220 1.00 0.19 C ATOM 619 C LEU A 127 -2.045 7.277 3.256 1.00 0.20 C ATOM 620 O LEU A 127 -3.031 6.586 3.178 1.00 0.24 O ATOM 621 CB LEU A 127 -0.981 7.776 1.132 1.00 0.25 C ATOM 622 CG LEU A 127 -1.556 8.116 -0.225 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.522 8.764 -1.135 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.194 6.892 -0.836 1.00 0.40 C ATOM 0 H LEU A 127 -0.468 9.848 2.310 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.837 8.527 1.820 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.021 8.196 1.223 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.883 6.695 1.230 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.338 8.865 -0.096 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.977 8.992 -2.099 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.161 9.685 -0.678 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.314 8.080 -1.281 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.606 7.146 -1.813 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.444 6.109 -0.950 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.994 6.536 -0.187 1.00 0.40 H new ATOM 636 N LEU A 128 -1.169 7.141 4.227 1.00 0.18 N ATOM 637 CA LEU A 128 -1.469 6.156 5.219 1.00 0.24 C ATOM 638 C LEU A 128 -2.762 6.547 5.946 1.00 0.26 C ATOM 639 O LEU A 128 -3.630 5.716 6.190 1.00 0.32 O ATOM 640 CB LEU A 128 -0.304 5.830 6.193 1.00 0.28 C ATOM 641 CG LEU A 128 0.552 6.957 6.746 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.766 7.141 5.909 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.197 8.223 6.793 1.00 0.21 C ATOM 0 H LEU A 128 -0.301 7.665 4.343 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.620 5.212 4.695 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.730 5.297 7.043 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.363 5.135 5.682 1.00 0.28 H new ATOM 0 HG LEU A 128 0.841 6.682 7.760 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.370 7.952 6.317 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.349 6.220 5.906 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.471 7.386 4.889 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.443 9.010 7.193 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.518 8.493 5.787 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.071 8.105 7.434 1.00 0.21 H new ATOM 655 N GLU A 129 -2.924 7.837 6.182 1.00 0.23 N ATOM 656 CA GLU A 129 -4.110 8.367 6.816 1.00 0.28 C ATOM 657 C GLU A 129 -5.279 8.159 5.877 1.00 0.25 C ATOM 658 O GLU A 129 -6.421 7.936 6.273 1.00 0.31 O ATOM 659 CB GLU A 129 -3.940 9.864 7.032 1.00 0.32 C ATOM 660 CG GLU A 129 -2.587 10.240 7.587 1.00 0.44 C ATOM 661 CD GLU A 129 -2.497 11.709 7.943 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.671 12.561 7.047 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.264 12.020 9.133 1.00 2.23 O ATOM 0 H GLU A 129 -2.232 8.546 5.937 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.276 7.868 7.771 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.092 10.380 6.084 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.715 10.216 7.714 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.382 9.641 8.474 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.817 9.999 6.854 1.00 0.44 H new ATOM 670 N ALA A 130 -4.922 8.207 4.609 1.00 0.21 N ATOM 671 CA ALA A 130 -5.847 8.249 3.520 1.00 0.25 C ATOM 672 C ALA A 130 -6.200 6.842 3.059 1.00 0.28 C ATOM 673 O ALA A 130 -7.080 6.644 2.222 1.00 0.33 O ATOM 674 CB ALA A 130 -5.207 9.038 2.382 1.00 0.26 C ATOM 0 H ALA A 130 -3.947 8.218 4.311 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.771 8.732 3.838 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.896 9.083 1.538 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.982 10.049 2.722 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.285 8.546 2.072 1.00 0.26 H new ATOM 680 N THR A 131 -5.498 5.868 3.621 1.00 0.26 N ATOM 681 CA THR A 131 -5.625 4.492 3.207 1.00 0.29 C ATOM 682 C THR A 131 -6.047 3.646 4.398 1.00 0.29 C ATOM 683 O THR A 131 -6.230 2.429 4.298 1.00 0.33 O ATOM 684 CB THR A 131 -4.306 3.971 2.602 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.502 2.691 1.984 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.250 3.860 3.677 1.00 0.28 C ATOM 0 H THR A 131 -4.827 6.017 4.375 1.00 0.26 H new ATOM 0 HA THR A 131 -6.387 4.424 2.431 1.00 0.29 H new ATOM 0 HB THR A 131 -3.975 4.679 1.842 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.104 2.150 2.537 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.322 3.491 3.239 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.077 4.841 4.120 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.587 3.168 4.448 1.00 0.28 H new ATOM 694 N GLN A 132 -6.191 4.340 5.525 1.00 0.25 N ATOM 695 CA GLN A 132 -6.527 3.748 6.811 1.00 0.25 C ATOM 696 C GLN A 132 -5.384 2.903 7.359 1.00 0.21 C ATOM 697 O GLN A 132 -5.548 1.726 7.675 1.00 0.23 O ATOM 698 CB GLN A 132 -7.807 2.919 6.749 1.00 0.32 C ATOM 699 CG GLN A 132 -9.057 3.719 6.437 1.00 0.41 C ATOM 700 CD GLN A 132 -10.286 2.839 6.322 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.368 1.779 6.944 1.00 2.19 O ATOM 702 NE2 GLN A 132 -11.253 3.272 5.533 1.00 2.15 N ATOM 0 H GLN A 132 -6.074 5.352 5.567 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.699 4.581 7.492 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.687 2.145 5.991 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -7.944 2.412 7.704 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.216 4.462 7.219 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.914 4.264 5.504 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -11.147 4.156 5.035 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -12.105 2.723 5.422 1.00 2.15 H new ATOM 711 N TYR A 133 -4.233 3.528 7.476 1.00 0.17 N ATOM 712 CA TYR A 133 -3.050 2.900 7.975 1.00 0.15 C ATOM 713 C TYR A 133 -2.233 3.955 8.666 1.00 0.15 C ATOM 714 O TYR A 133 -2.245 5.115 8.296 1.00 0.18 O ATOM 715 CB TYR A 133 -2.256 2.193 6.874 1.00 0.16 C ATOM 716 CG TYR A 133 -0.765 2.495 6.841 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.008 2.325 7.984 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.110 2.976 5.700 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.327 2.622 8.000 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.214 3.247 5.713 1.00 0.25 C ATOM 721 CZ TYR A 133 1.945 3.007 6.703 1.00 0.19 C ATOM 722 OH TYR A 133 3.262 3.379 6.871 1.00 0.27 O ATOM 0 H TYR A 133 -4.101 4.506 7.219 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.322 2.114 8.679 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.388 1.117 6.989 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.685 2.465 5.910 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.479 1.951 8.881 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.674 3.133 4.792 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.905 2.579 8.911 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.661 3.688 4.834 1.00 0.25 H new ATOM 0 HH TYR A 133 3.838 2.590 6.788 1.00 0.27 H new ATOM 732 N ARG A 134 -1.576 3.565 9.712 1.00 0.15 N ATOM 733 CA ARG A 134 -0.844 4.489 10.510 1.00 0.18 C ATOM 734 C ARG A 134 0.371 3.771 11.053 1.00 0.19 C ATOM 735 O ARG A 134 0.392 2.543 11.033 1.00 0.18 O ATOM 736 CB ARG A 134 -1.743 4.961 11.635 1.00 0.18 C ATOM 737 CG ARG A 134 -3.204 5.081 11.230 1.00 0.22 C ATOM 738 CD ARG A 134 -3.895 3.731 11.229 1.00 0.25 C ATOM 739 NE ARG A 134 -4.488 3.384 12.518 1.00 0.28 N ATOM 740 CZ ARG A 134 -5.100 2.226 12.765 1.00 0.44 C ATOM 741 NH1 ARG A 134 -5.206 1.313 11.808 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.613 1.982 13.963 1.00 0.49 N ATOM 0 H ARG A 134 -1.533 2.598 10.034 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.520 5.355 9.933 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.661 4.267 12.471 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.391 5.930 11.989 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.719 5.753 11.916 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.272 5.526 10.237 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.674 3.730 10.467 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.175 2.962 10.950 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.430 4.068 13.273 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.819 1.497 10.882 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.674 0.427 11.998 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.540 2.682 14.701 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -6.080 1.094 14.146 1.00 0.49 H new ATOM 756 N GLN A 135 1.364 4.511 11.518 1.00 0.22 N ATOM 757 CA GLN A 135 2.604 3.921 11.996 1.00 0.25 C ATOM 758 C GLN A 135 2.392 2.766 12.927 1.00 0.24 C ATOM 759 O GLN A 135 1.453 2.738 13.728 1.00 0.30 O ATOM 760 CB GLN A 135 3.447 4.962 12.707 1.00 0.35 C ATOM 761 CG GLN A 135 4.714 4.401 13.321 1.00 0.88 C ATOM 762 CD GLN A 135 5.847 5.406 13.363 1.00 1.36 C ATOM 763 OE1 GLN A 135 7.019 5.038 13.304 1.00 1.87 O ATOM 764 NE2 GLN A 135 5.507 6.681 13.465 1.00 1.96 N ATOM 0 H GLN A 135 1.335 5.529 11.575 1.00 0.22 H new ATOM 0 HA GLN A 135 3.115 3.546 11.109 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.713 5.747 11.999 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.849 5.428 13.490 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.500 4.060 14.334 1.00 0.88 H new ATOM 0 HG3 GLN A 135 5.031 3.528 12.751 1.00 0.88 H new ATOM 0 HE21 GLN A 135 4.523 6.944 13.511 1.00 1.96 H new ATOM 0 HE22 GLN A 135 6.229 7.400 13.497 1.00 1.96 H new ATOM 773 N VAL A 136 3.315 1.832 12.839 1.00 0.23 N ATOM 774 CA VAL A 136 3.177 0.611 13.541 1.00 0.24 C ATOM 775 C VAL A 136 4.505 0.129 14.120 1.00 0.27 C ATOM 776 O VAL A 136 5.573 0.438 13.598 1.00 0.27 O ATOM 777 CB VAL A 136 2.559 -0.450 12.599 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.911 -1.870 12.986 1.00 0.23 C ATOM 779 CG2 VAL A 136 1.064 -0.282 12.534 1.00 0.20 C ATOM 0 H VAL A 136 4.165 1.912 12.282 1.00 0.23 H new ATOM 0 HA VAL A 136 2.513 0.773 14.390 1.00 0.24 H new ATOM 0 HB VAL A 136 2.992 -0.281 11.613 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.446 -2.564 12.285 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.993 -1.997 12.959 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.547 -2.073 13.993 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.642 -1.035 11.868 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.641 -0.402 13.531 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.826 0.712 12.156 1.00 0.20 H new ATOM 789 N SER A 137 4.416 -0.601 15.219 1.00 0.31 N ATOM 790 CA SER A 137 5.561 -1.261 15.818 1.00 0.35 C ATOM 791 C SER A 137 6.186 -2.268 14.881 1.00 0.33 C ATOM 792 O SER A 137 7.394 -2.266 14.641 1.00 0.35 O ATOM 793 CB SER A 137 5.082 -1.990 17.045 1.00 0.39 C ATOM 794 OG SER A 137 5.029 -1.133 18.176 1.00 0.73 O ATOM 0 H SER A 137 3.542 -0.753 15.723 1.00 0.31 H new ATOM 0 HA SER A 137 6.312 -0.507 16.054 1.00 0.35 H new ATOM 0 HB2 SER A 137 4.093 -2.407 16.858 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.747 -2.828 17.254 1.00 0.39 H new ATOM 0 HG SER A 137 4.713 -1.638 18.954 1.00 0.73 H new ATOM 800 N LYS A 138 5.344 -3.111 14.347 1.00 0.30 N ATOM 801 CA LYS A 138 5.767 -4.162 13.468 1.00 0.30 C ATOM 802 C LYS A 138 4.636 -4.534 12.562 1.00 0.27 C ATOM 803 O LYS A 138 3.575 -4.991 12.995 1.00 0.28 O ATOM 804 CB LYS A 138 6.207 -5.348 14.259 1.00 0.35 C ATOM 805 CG LYS A 138 5.191 -5.747 15.280 1.00 0.37 C ATOM 806 CD LYS A 138 5.597 -7.021 15.997 1.00 0.43 C ATOM 807 CE LYS A 138 5.815 -8.152 15.005 1.00 0.44 C ATOM 808 NZ LYS A 138 6.377 -9.367 15.648 1.00 0.51 N ATOM 0 H LYS A 138 4.338 -3.086 14.512 1.00 0.30 H new ATOM 0 HA LYS A 138 6.609 -3.816 12.869 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.392 -6.185 13.585 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.151 -5.123 14.755 1.00 0.35 H new ATOM 0 HG2 LYS A 138 5.067 -4.943 16.006 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.225 -5.892 14.797 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.511 -6.848 16.565 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.825 -7.303 16.713 1.00 0.43 H new ATOM 0 HE2 LYS A 138 4.867 -8.402 14.528 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.489 -7.816 14.217 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.508 -10.110 14.932 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.295 -9.138 16.081 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.723 -9.705 16.382 1.00 0.51 H new ATOM 822 N MET A 139 4.849 -4.305 11.310 1.00 0.25 N ATOM 823 CA MET A 139 3.785 -4.346 10.374 1.00 0.25 C ATOM 824 C MET A 139 3.391 -5.770 10.018 1.00 0.26 C ATOM 825 O MET A 139 4.041 -6.488 9.260 1.00 0.30 O ATOM 826 CB MET A 139 4.189 -3.516 9.170 1.00 0.33 C ATOM 827 CG MET A 139 5.092 -4.212 8.170 1.00 0.70 C ATOM 828 SD MET A 139 6.526 -5.048 8.908 1.00 2.16 S ATOM 829 CE MET A 139 7.613 -3.680 9.295 1.00 2.71 C ATOM 0 H MET A 139 5.762 -4.085 10.911 1.00 0.25 H new ATOM 0 HA MET A 139 2.884 -3.917 10.811 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.285 -3.193 8.654 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.693 -2.616 9.523 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.504 -4.945 7.617 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.447 -3.478 7.447 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.586 -4.064 9.602 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.733 -3.050 8.414 1.00 2.71 H new ATOM 0 HE3 MET A 139 7.183 -3.092 10.106 1.00 2.71 H new ATOM 839 N THR A 140 2.331 -6.186 10.639 1.00 0.25 N ATOM 840 CA THR A 140 1.611 -7.332 10.192 1.00 0.26 C ATOM 841 C THR A 140 0.217 -7.277 10.738 1.00 0.27 C ATOM 842 O THR A 140 -0.068 -7.739 11.840 1.00 0.30 O ATOM 843 CB THR A 140 2.320 -8.603 10.659 1.00 0.31 C ATOM 844 OG1 THR A 140 1.511 -9.763 10.418 1.00 0.35 O ATOM 845 CG2 THR A 140 2.680 -8.497 12.135 1.00 0.34 C ATOM 0 H THR A 140 1.943 -5.739 11.470 1.00 0.25 H new ATOM 0 HA THR A 140 1.568 -7.342 9.103 1.00 0.26 H new ATOM 0 HB THR A 140 3.239 -8.711 10.083 1.00 0.31 H new ATOM 0 HG1 THR A 140 1.987 -10.563 10.724 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.184 -9.410 12.453 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.342 -7.645 12.288 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.772 -8.361 12.722 1.00 0.34 H new ATOM 853 N ARG A 141 -0.654 -6.776 9.910 1.00 0.25 N ATOM 854 CA ARG A 141 -2.068 -6.799 10.145 1.00 0.28 C ATOM 855 C ARG A 141 -2.734 -6.826 8.795 1.00 0.30 C ATOM 856 O ARG A 141 -2.061 -6.633 7.787 1.00 0.45 O ATOM 857 CB ARG A 141 -2.511 -5.551 10.913 1.00 0.30 C ATOM 858 CG ARG A 141 -1.600 -5.168 12.064 1.00 0.38 C ATOM 859 CD ARG A 141 -1.829 -6.083 13.232 1.00 1.01 C ATOM 860 NE ARG A 141 -1.388 -5.488 14.492 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.822 -6.168 15.486 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.610 -7.474 15.372 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.466 -5.540 16.599 1.00 1.97 N ATOM 0 H ARG A 141 -0.393 -6.329 9.031 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.340 -7.669 10.743 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.570 -4.713 10.218 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.516 -5.715 11.300 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.559 -5.224 11.747 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.788 -4.136 12.359 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.889 -6.327 13.298 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.296 -7.020 13.068 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.523 -4.485 14.618 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.881 -7.962 14.519 1.00 2.38 H new ATOM 0 HH12 ARG A 141 -0.176 -7.989 16.138 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.626 -4.537 16.692 1.00 1.97 H new ATOM 0 HH22 ARG A 141 -0.032 -6.060 17.362 1.00 1.97 H new ATOM 877 N PRO A 142 -4.035 -7.052 8.704 1.00 0.36 N ATOM 878 CA PRO A 142 -4.724 -6.719 7.486 1.00 0.39 C ATOM 879 C PRO A 142 -5.050 -5.226 7.465 1.00 0.32 C ATOM 880 O PRO A 142 -5.875 -4.749 8.249 1.00 0.37 O ATOM 881 CB PRO A 142 -5.992 -7.563 7.552 1.00 0.53 C ATOM 882 CG PRO A 142 -6.243 -7.786 9.012 1.00 0.79 C ATOM 883 CD PRO A 142 -4.911 -7.666 9.716 1.00 0.55 C ATOM 0 HA PRO A 142 -4.142 -6.916 6.585 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.831 -7.050 7.083 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.863 -8.509 7.026 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.950 -7.051 9.398 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.681 -8.770 9.182 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.985 -7.047 10.610 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.536 -8.639 10.032 1.00 0.55 H new ATOM 891 N GLY A 143 -4.395 -4.491 6.582 1.00 0.27 N ATOM 892 CA GLY A 143 -4.741 -3.089 6.393 1.00 0.27 C ATOM 893 C GLY A 143 -4.132 -2.153 7.434 1.00 0.26 C ATOM 894 O GLY A 143 -4.640 -1.053 7.652 1.00 0.38 O ATOM 0 H GLY A 143 -3.634 -4.832 5.994 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.414 -2.775 5.402 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.826 -2.987 6.418 1.00 0.27 H new ATOM 898 N GLU A 144 -3.049 -2.581 8.075 1.00 0.17 N ATOM 899 CA GLU A 144 -2.297 -1.720 8.993 1.00 0.14 C ATOM 900 C GLU A 144 -0.829 -1.936 8.733 1.00 0.11 C ATOM 901 O GLU A 144 -0.372 -3.078 8.684 1.00 0.12 O ATOM 902 CB GLU A 144 -2.621 -2.039 10.452 1.00 0.18 C ATOM 903 CG GLU A 144 -4.100 -1.924 10.788 1.00 0.40 C ATOM 904 CD GLU A 144 -4.396 -2.203 12.244 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.098 -1.339 13.095 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.927 -3.288 12.546 1.00 1.44 O ATOM 0 H GLU A 144 -2.668 -3.522 7.978 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.573 -0.680 8.820 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.284 -3.051 10.677 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.057 -1.364 11.096 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.447 -0.922 10.537 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.664 -2.621 10.168 1.00 0.40 H new ATOM 913 N PHE A 145 -0.080 -0.858 8.578 1.00 0.10 N ATOM 914 CA PHE A 145 1.272 -0.983 8.056 1.00 0.10 C ATOM 915 C PHE A 145 2.229 -0.177 8.909 1.00 0.09 C ATOM 916 O PHE A 145 1.807 0.503 9.828 1.00 0.10 O ATOM 917 CB PHE A 145 1.383 -0.521 6.585 1.00 0.16 C ATOM 918 CG PHE A 145 0.176 -0.765 5.685 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.586 -1.910 5.834 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.204 0.141 4.715 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.687 -2.149 5.034 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.304 -0.089 3.911 1.00 0.30 C ATOM 923 CZ PHE A 145 -2.014 -1.186 4.012 1.00 0.27 C ATOM 0 H PHE A 145 -0.374 0.093 8.800 1.00 0.10 H new ATOM 0 HA PHE A 145 1.532 -2.041 8.090 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.596 0.548 6.582 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.244 -1.019 6.138 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.315 -2.631 6.591 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.369 1.047 4.582 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.288 -3.036 5.171 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.586 0.655 3.180 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.836 -1.367 3.336 1.00 0.27 H new ATOM 933 N THR A 146 3.509 -0.241 8.609 1.00 0.09 N ATOM 934 CA THR A 146 4.484 0.507 9.374 1.00 0.12 C ATOM 935 C THR A 146 5.033 1.668 8.586 1.00 0.12 C ATOM 936 O THR A 146 5.219 1.593 7.370 1.00 0.15 O ATOM 937 CB THR A 146 5.651 -0.362 9.827 1.00 0.15 C ATOM 938 OG1 THR A 146 6.121 -1.154 8.739 1.00 0.16 O ATOM 939 CG2 THR A 146 5.263 -1.238 10.988 1.00 0.19 C ATOM 0 H THR A 146 3.896 -0.798 7.848 1.00 0.09 H new ATOM 0 HA THR A 146 3.953 0.875 10.252 1.00 0.12 H new ATOM 0 HB THR A 146 6.454 0.295 10.162 1.00 0.15 H new ATOM 0 HG1 THR A 146 7.094 -1.060 8.662 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.117 -1.845 11.287 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.950 -0.615 11.826 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.440 -1.889 10.693 1.00 0.19 H new ATOM 947 N VAL A 147 5.268 2.738 9.299 1.00 0.14 N ATOM 948 CA VAL A 147 5.804 3.952 8.728 1.00 0.15 C ATOM 949 C VAL A 147 7.273 4.138 9.116 1.00 0.23 C ATOM 950 O VAL A 147 7.601 4.221 10.301 1.00 0.29 O ATOM 951 CB VAL A 147 4.984 5.152 9.220 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.663 6.461 8.859 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.589 5.112 8.644 1.00 0.73 C ATOM 0 H VAL A 147 5.092 2.795 10.302 1.00 0.14 H new ATOM 0 HA VAL A 147 5.743 3.881 7.642 1.00 0.15 H new ATOM 0 HB VAL A 147 4.917 5.090 10.306 1.00 0.28 H new ATOM 0 HG11 VAL A 147 5.061 7.295 9.219 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.649 6.499 9.322 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.767 6.530 7.776 1.00 0.86 H new ATOM 0 HG21 VAL A 147 3.022 5.971 9.004 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.644 5.143 7.556 1.00 0.73 H new ATOM 0 HG23 VAL A 147 3.093 4.193 8.956 1.00 0.73 H new ATOM 963 N GLN A 148 8.154 4.195 8.123 1.00 0.37 N ATOM 964 CA GLN A 148 9.576 4.378 8.383 1.00 0.51 C ATOM 965 C GLN A 148 9.984 5.830 8.124 1.00 0.58 C ATOM 966 O GLN A 148 9.990 6.649 9.043 1.00 1.16 O ATOM 967 CB GLN A 148 10.410 3.417 7.526 1.00 0.57 C ATOM 968 CG GLN A 148 11.880 3.346 7.918 1.00 1.20 C ATOM 969 CD GLN A 148 12.097 2.772 9.306 1.00 1.71 C ATOM 970 OE1 GLN A 148 13.063 3.117 9.988 1.00 2.45 O ATOM 971 NE2 GLN A 148 11.211 1.889 9.735 1.00 2.15 N ATOM 0 H GLN A 148 7.910 4.118 7.136 1.00 0.37 H new ATOM 0 HA GLN A 148 9.768 4.150 9.432 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.978 2.418 7.595 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.338 3.723 6.482 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.415 2.735 7.191 1.00 1.20 H new ATOM 0 HG3 GLN A 148 12.311 4.346 7.873 1.00 1.20 H new ATOM 0 HE21 GLN A 148 10.423 1.628 9.142 1.00 2.15 H new ATOM 0 HE22 GLN A 148 11.315 1.469 10.659 1.00 2.15 H new ATOM 980 N ALA A 149 10.294 6.153 6.872 1.00 0.40 N ATOM 981 CA ALA A 149 10.695 7.510 6.503 1.00 0.39 C ATOM 982 C ALA A 149 10.493 7.746 5.008 1.00 0.31 C ATOM 983 O ALA A 149 9.475 8.282 4.596 1.00 0.37 O ATOM 984 CB ALA A 149 12.143 7.774 6.899 1.00 0.49 C ATOM 0 H ALA A 149 10.276 5.494 6.094 1.00 0.40 H new ATOM 0 HA ALA A 149 10.061 8.210 7.048 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.419 8.789 6.615 1.00 0.49 H new ATOM 0 HB2 ALA A 149 12.253 7.657 7.977 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.795 7.065 6.389 1.00 0.49 H new ATOM 990 N ASN A 150 11.460 7.321 4.200 1.00 0.26 N ATOM 991 CA ASN A 150 11.363 7.434 2.740 1.00 0.24 C ATOM 992 C ASN A 150 10.734 6.193 2.186 1.00 0.19 C ATOM 993 O ASN A 150 10.587 6.030 0.974 1.00 0.20 O ATOM 994 CB ASN A 150 12.726 7.561 2.094 1.00 0.28 C ATOM 995 CG ASN A 150 13.516 8.784 2.544 1.00 0.39 C ATOM 996 OD1 ASN A 150 13.360 9.272 3.664 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.384 9.283 1.676 1.00 1.00 N ATOM 0 H ASN A 150 12.325 6.893 4.529 1.00 0.26 H new ATOM 0 HA ASN A 150 10.771 8.324 2.525 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.306 6.665 2.316 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.601 7.600 1.012 1.00 0.28 H new ATOM 0 HD21 ASN A 150 14.947 10.095 1.928 1.00 1.00 H new ATOM 0 HD22 ASN A 150 14.489 8.855 0.756 1.00 1.00 H new ATOM 1004 N SER A 151 10.435 5.287 3.072 1.00 0.17 N ATOM 1005 CA SER A 151 9.735 4.101 2.702 1.00 0.20 C ATOM 1006 C SER A 151 8.689 3.761 3.757 1.00 0.20 C ATOM 1007 O SER A 151 8.895 3.987 4.951 1.00 0.27 O ATOM 1008 CB SER A 151 10.718 2.940 2.526 1.00 0.27 C ATOM 1009 OG SER A 151 11.521 2.763 3.685 1.00 0.94 O ATOM 0 H SER A 151 10.669 5.353 4.063 1.00 0.17 H new ATOM 0 HA SER A 151 9.228 4.271 1.752 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.167 2.022 2.319 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.357 3.129 1.664 1.00 0.27 H new ATOM 0 HG SER A 151 12.138 2.014 3.545 1.00 0.94 H new ATOM 1015 N ILE A 152 7.560 3.265 3.304 1.00 0.18 N ATOM 1016 CA ILE A 152 6.552 2.703 4.175 1.00 0.17 C ATOM 1017 C ILE A 152 6.623 1.190 4.043 1.00 0.17 C ATOM 1018 O ILE A 152 7.351 0.681 3.194 1.00 0.19 O ATOM 1019 CB ILE A 152 5.157 3.245 3.792 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.957 4.606 4.474 1.00 0.20 C ATOM 1021 CG2 ILE A 152 4.028 2.281 4.143 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.646 5.247 4.150 1.00 0.20 C ATOM 0 H ILE A 152 7.313 3.240 2.315 1.00 0.18 H new ATOM 0 HA ILE A 152 6.728 2.986 5.213 1.00 0.17 H new ATOM 0 HB ILE A 152 5.119 3.358 2.709 1.00 0.18 H new ATOM 0 HG12 ILE A 152 5.033 4.477 5.554 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.764 5.275 4.175 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.073 2.717 3.850 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.175 1.340 3.613 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.028 2.096 5.217 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.572 6.205 4.665 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.575 5.407 3.074 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.833 4.597 4.474 1.00 0.20 H new ATOM 1034 N GLU A 153 5.922 0.464 4.873 1.00 0.16 N ATOM 1035 CA GLU A 153 5.824 -0.958 4.669 1.00 0.14 C ATOM 1036 C GLU A 153 4.371 -1.389 4.681 1.00 0.23 C ATOM 1037 O GLU A 153 3.774 -1.481 5.742 1.00 0.56 O ATOM 1038 CB GLU A 153 6.560 -1.728 5.727 1.00 0.18 C ATOM 1039 CG GLU A 153 6.793 -3.144 5.271 1.00 0.27 C ATOM 1040 CD GLU A 153 8.023 -3.787 5.872 1.00 0.50 C ATOM 1041 OE1 GLU A 153 8.071 -5.032 5.939 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.948 -3.054 6.275 1.00 0.72 O ATOM 0 H GLU A 153 5.418 0.825 5.683 1.00 0.16 H new ATOM 0 HA GLU A 153 6.277 -1.174 3.702 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.514 -1.246 5.941 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.986 -1.726 6.654 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.920 -3.745 5.525 1.00 0.27 H new ATOM 0 HG3 GLU A 153 6.883 -3.155 4.185 1.00 0.27 H new ATOM 1049 N MET A 154 3.837 -1.718 3.520 1.00 0.13 N ATOM 1050 CA MET A 154 2.405 -1.895 3.346 1.00 0.13 C ATOM 1051 C MET A 154 2.042 -3.354 3.119 1.00 0.15 C ATOM 1052 O MET A 154 2.604 -4.015 2.246 1.00 0.18 O ATOM 1053 CB MET A 154 1.940 -1.015 2.172 1.00 0.19 C ATOM 1054 CG MET A 154 0.587 -1.387 1.580 1.00 0.94 C ATOM 1055 SD MET A 154 0.723 -2.451 0.131 1.00 0.73 S ATOM 1056 CE MET A 154 -1.007 -2.675 -0.276 1.00 1.32 C ATOM 0 H MET A 154 4.382 -1.870 2.671 1.00 0.13 H new ATOM 0 HA MET A 154 1.893 -1.589 4.258 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.899 0.021 2.509 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.690 -1.064 1.383 1.00 0.19 H new ATOM 0 HG2 MET A 154 -0.010 -1.891 2.340 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.053 -0.477 1.307 1.00 0.94 H new ATOM 0 HE1 MET A 154 -1.159 -3.676 -0.680 1.00 1.32 H new ATOM 0 HE2 MET A 154 -1.611 -2.551 0.623 1.00 1.32 H new ATOM 0 HE3 MET A 154 -1.305 -1.935 -1.018 1.00 1.32 H new ATOM 1066 N ILE A 155 1.123 -3.863 3.938 1.00 0.16 N ATOM 1067 CA ILE A 155 0.598 -5.194 3.735 1.00 0.19 C ATOM 1068 C ILE A 155 -0.212 -5.241 2.453 1.00 0.27 C ATOM 1069 O ILE A 155 -1.151 -4.464 2.272 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.308 -5.690 4.880 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.029 -4.992 6.205 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.163 -7.204 5.006 1.00 0.25 C ATOM 1073 CD1 ILE A 155 0.850 -5.807 7.165 1.00 0.24 C ATOM 0 H ILE A 155 0.734 -3.370 4.742 1.00 0.16 H new ATOM 0 HA ILE A 155 1.469 -5.847 3.691 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.344 -5.442 4.647 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.566 -4.069 5.985 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.902 -4.710 6.696 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.800 -7.565 5.814 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.461 -7.677 4.070 1.00 0.25 H new ATOM 0 HG23 ILE A 155 0.875 -7.453 5.224 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.035 -5.227 8.069 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.310 -6.718 7.422 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.801 -6.067 6.700 1.00 0.24 H new ATOM 1297 N VAL A 169 0.214 -10.792 3.245 1.00 0.38 N ATOM 1298 CA VAL A 169 1.588 -10.551 2.890 1.00 0.32 C ATOM 1299 C VAL A 169 1.876 -9.099 3.012 1.00 0.26 C ATOM 1300 O VAL A 169 1.048 -8.279 2.669 1.00 0.29 O ATOM 1301 CB VAL A 169 1.891 -10.908 1.448 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.255 -10.350 1.066 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.805 -12.404 1.249 1.00 0.48 C ATOM 0 HA VAL A 169 2.190 -11.168 3.558 1.00 0.32 H new ATOM 0 HB VAL A 169 1.149 -10.458 0.788 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.475 -10.605 0.029 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.249 -9.266 1.179 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.018 -10.779 1.715 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.025 -12.646 0.209 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.528 -12.899 1.897 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.800 -12.747 1.497 1.00 0.48 H new ATOM 1313 N ARG A 170 3.057 -8.781 3.433 1.00 0.23 N ATOM 1314 CA ARG A 170 3.435 -7.410 3.505 1.00 0.20 C ATOM 1315 C ARG A 170 4.630 -7.087 2.664 1.00 0.19 C ATOM 1316 O ARG A 170 5.559 -7.880 2.498 1.00 0.25 O ATOM 1317 CB ARG A 170 3.604 -6.992 4.932 1.00 0.26 C ATOM 1318 CG ARG A 170 4.397 -7.975 5.748 1.00 0.23 C ATOM 1319 CD ARG A 170 5.890 -7.847 5.548 1.00 0.39 C ATOM 1320 NE ARG A 170 6.629 -8.842 6.324 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.879 -8.683 6.764 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.517 -7.531 6.605 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.485 -9.679 7.397 1.00 1.61 N ATOM 0 H ARG A 170 3.771 -9.447 3.730 1.00 0.23 H new ATOM 0 HA ARG A 170 2.623 -6.822 3.076 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.099 -6.021 4.963 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.621 -6.863 5.385 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.165 -7.832 6.803 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.087 -8.987 5.487 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.126 -7.962 4.490 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.211 -6.847 5.839 1.00 0.39 H new ATOM 0 HE ARG A 170 6.156 -9.719 6.544 1.00 0.93 H new ATOM 0 HH11 ARG A 170 8.052 -6.751 6.141 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.472 -7.426 6.947 1.00 1.39 H new ATOM 0 HH21 ARG A 170 7.996 -10.562 7.546 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.440 -9.562 7.735 1.00 1.61 H new ATOM 1337 N ALA A 171 4.558 -5.913 2.109 1.00 0.17 N ATOM 1338 CA ALA A 171 5.562 -5.432 1.213 1.00 0.16 C ATOM 1339 C ALA A 171 6.190 -4.167 1.747 1.00 0.16 C ATOM 1340 O ALA A 171 5.608 -3.480 2.573 1.00 0.20 O ATOM 1341 CB ALA A 171 4.950 -5.181 -0.143 1.00 0.16 C ATOM 0 H ALA A 171 3.793 -5.258 2.269 1.00 0.17 H new ATOM 0 HA ALA A 171 6.344 -6.186 1.121 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.716 -4.814 -0.826 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.533 -6.110 -0.531 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.158 -4.437 -0.053 1.00 0.16 H new ATOM 1347 N ARG A 172 7.360 -3.848 1.245 1.00 0.16 N ATOM 1348 CA ARG A 172 8.060 -2.665 1.677 1.00 0.18 C ATOM 1349 C ARG A 172 8.032 -1.676 0.560 1.00 0.18 C ATOM 1350 O ARG A 172 8.509 -1.928 -0.546 1.00 0.22 O ATOM 1351 CB ARG A 172 9.482 -2.954 2.127 1.00 0.24 C ATOM 1352 CG ARG A 172 10.269 -1.711 2.502 1.00 0.79 C ATOM 1353 CD ARG A 172 11.673 -2.057 2.971 1.00 1.08 C ATOM 1354 NE ARG A 172 12.459 -2.705 1.920 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.703 -2.351 1.595 1.00 2.59 C ATOM 1356 NH1 ARG A 172 14.317 -1.374 2.256 1.00 2.48 N ATOM 1357 NH2 ARG A 172 14.341 -2.982 0.618 1.00 3.69 N ATOM 0 H ARG A 172 7.847 -4.394 0.535 1.00 0.16 H new ATOM 0 HA ARG A 172 7.557 -2.259 2.554 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.453 -3.627 2.984 1.00 0.24 H new ATOM 0 HB3 ARG A 172 10.007 -3.478 1.328 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.326 -1.043 1.643 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.744 -1.172 3.290 1.00 0.79 H new ATOM 0 HD2 ARG A 172 12.181 -1.149 3.295 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.614 -2.716 3.837 1.00 1.08 H new ATOM 0 HE ARG A 172 12.029 -3.474 1.405 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.836 -0.892 3.015 1.00 2.48 H new ATOM 0 HH12 ARG A 172 15.269 -1.107 2.004 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.880 -3.739 0.114 1.00 3.69 H new ATOM 0 HH22 ARG A 172 15.292 -2.710 0.371 1.00 3.69 H new ATOM 1371 N LEU A 173 7.457 -0.568 0.873 1.00 0.20 N ATOM 1372 CA LEU A 173 7.007 0.364 -0.100 1.00 0.24 C ATOM 1373 C LEU A 173 7.798 1.662 -0.004 1.00 0.25 C ATOM 1374 O LEU A 173 7.670 2.414 0.942 1.00 0.48 O ATOM 1375 CB LEU A 173 5.525 0.557 0.170 1.00 0.37 C ATOM 1376 CG LEU A 173 5.017 1.953 -0.013 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.794 2.239 -1.455 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.775 2.176 0.826 1.00 0.54 C ATOM 0 H LEU A 173 7.283 -0.278 1.835 1.00 0.20 H new ATOM 0 HA LEU A 173 7.161 0.008 -1.119 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.963 -0.105 -0.489 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.315 0.243 1.192 1.00 0.37 H new ATOM 0 HG LEU A 173 5.769 2.660 0.337 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.425 3.258 -1.571 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.733 2.130 -1.997 1.00 0.61 H new ATOM 0 HD13 LEU A 173 4.060 1.539 -1.855 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.417 3.196 0.682 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.999 1.473 0.522 1.00 0.54 H new ATOM 0 HD23 LEU A 173 4.014 2.020 1.878 1.00 0.54 H new ATOM 1390 N THR A 174 8.612 1.924 -0.996 1.00 0.17 N ATOM 1391 CA THR A 174 9.506 3.060 -0.951 1.00 0.15 C ATOM 1392 C THR A 174 9.059 4.132 -1.900 1.00 0.13 C ATOM 1393 O THR A 174 8.457 3.842 -2.927 1.00 0.12 O ATOM 1394 CB THR A 174 10.942 2.649 -1.285 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.439 1.731 -0.302 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.822 3.878 -1.355 1.00 0.20 C ATOM 0 H THR A 174 8.676 1.366 -1.848 1.00 0.17 H new ATOM 0 HA THR A 174 9.481 3.451 0.066 1.00 0.15 H new ATOM 0 HB THR A 174 10.953 2.151 -2.255 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.357 1.475 -0.528 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.843 3.581 -1.593 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.449 4.549 -2.129 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.808 4.391 -0.393 1.00 0.20 H new ATOM 1404 N PHE A 175 9.320 5.374 -1.532 1.00 0.16 N ATOM 1405 CA PHE A 175 8.996 6.485 -2.392 1.00 0.17 C ATOM 1406 C PHE A 175 10.228 7.252 -2.867 1.00 0.19 C ATOM 1407 O PHE A 175 10.750 8.105 -2.154 1.00 0.32 O ATOM 1408 CB PHE A 175 8.077 7.415 -1.677 1.00 0.30 C ATOM 1409 CG PHE A 175 7.372 6.765 -0.543 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.166 6.108 -0.712 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.923 6.831 0.698 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.543 5.530 0.371 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.324 6.270 1.773 1.00 0.22 C ATOM 1414 CZ PHE A 175 6.010 5.511 1.487 1.00 0.15 C ATOM 0 H PHE A 175 9.754 5.632 -0.646 1.00 0.16 H new ATOM 0 HA PHE A 175 8.515 6.073 -3.279 1.00 0.17 H new ATOM 0 HB2 PHE A 175 8.646 8.267 -1.305 1.00 0.30 H new ATOM 0 HB3 PHE A 175 7.342 7.805 -2.381 1.00 0.30 H new ATOM 0 HD1 PHE A 175 5.714 6.049 -1.691 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.864 7.345 0.829 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.580 5.066 0.215 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.738 6.348 2.767 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.512 4.968 2.276 1.00 0.15 H new ATOM 1424 N ASP A 176 10.656 6.971 -4.091 1.00 0.16 N ATOM 1425 CA ASP A 176 11.844 7.603 -4.676 1.00 0.20 C ATOM 1426 C ASP A 176 11.543 9.020 -5.145 1.00 0.19 C ATOM 1427 O ASP A 176 11.080 9.240 -6.265 1.00 0.20 O ATOM 1428 CB ASP A 176 12.363 6.773 -5.855 1.00 0.29 C ATOM 1429 CG ASP A 176 13.471 7.460 -6.632 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.438 7.416 -7.884 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.377 8.051 -6.003 1.00 0.68 O ATOM 0 H ASP A 176 10.196 6.302 -4.708 1.00 0.16 H new ATOM 0 HA ASP A 176 12.608 7.651 -3.900 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.729 5.816 -5.483 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.535 6.557 -6.530 1.00 0.29 H new ATOM 1436 N GLY A 177 11.784 9.976 -4.276 1.00 0.21 N ATOM 1437 CA GLY A 177 11.710 11.361 -4.682 1.00 0.23 C ATOM 1438 C GLY A 177 10.325 11.942 -4.640 1.00 0.23 C ATOM 1439 O GLY A 177 9.758 12.174 -3.571 1.00 0.27 O ATOM 0 H GLY A 177 12.029 9.824 -3.298 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.360 11.952 -4.037 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.099 11.452 -5.696 1.00 0.23 H new ATOM 1443 N ASP A 178 9.794 12.189 -5.820 1.00 0.22 N ATOM 1444 CA ASP A 178 8.498 12.801 -5.980 1.00 0.26 C ATOM 1445 C ASP A 178 7.573 11.764 -6.515 1.00 0.23 C ATOM 1446 O ASP A 178 6.429 12.042 -6.862 1.00 0.25 O ATOM 1447 CB ASP A 178 8.575 13.960 -6.968 1.00 0.34 C ATOM 1448 CG ASP A 178 9.020 13.520 -8.354 1.00 1.10 C ATOM 1449 OD1 ASP A 178 10.211 13.184 -8.529 1.00 1.61 O ATOM 1450 OD2 ASP A 178 8.176 13.507 -9.279 1.00 1.34 O ATOM 0 H ASP A 178 10.257 11.967 -6.701 1.00 0.22 H new ATOM 0 HA ASP A 178 8.148 13.186 -5.022 1.00 0.26 H new ATOM 0 HB2 ASP A 178 7.598 14.437 -7.039 1.00 0.34 H new ATOM 0 HB3 ASP A 178 9.269 14.710 -6.589 1.00 0.34 H new ATOM 1455 N HIS A 179 8.089 10.551 -6.553 1.00 0.19 N ATOM 1456 CA HIS A 179 7.339 9.425 -7.037 1.00 0.17 C ATOM 1457 C HIS A 179 7.621 8.168 -6.241 1.00 0.13 C ATOM 1458 O HIS A 179 8.616 8.070 -5.540 1.00 0.13 O ATOM 1459 CB HIS A 179 7.662 9.210 -8.514 1.00 0.22 C ATOM 1460 CG HIS A 179 9.087 8.836 -8.814 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.977 9.708 -9.395 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.770 7.682 -8.619 1.00 0.93 C ATOM 1463 CE1 HIS A 179 11.143 9.112 -9.540 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.049 7.881 -9.076 1.00 0.45 N ATOM 0 H HIS A 179 9.036 10.326 -6.249 1.00 0.19 H new ATOM 0 HA HIS A 179 6.277 9.641 -6.916 1.00 0.17 H new ATOM 0 HB2 HIS A 179 7.009 8.427 -8.901 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.422 10.123 -9.058 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.380 6.773 -8.184 1.00 0.93 H new ATOM 0 HE1 HIS A 179 12.029 9.558 -9.968 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.801 7.192 -9.059 1.00 0.45 H new ATOM 1473 N LEU A 180 6.709 7.215 -6.352 1.00 0.13 N ATOM 1474 CA LEU A 180 6.868 5.926 -5.700 1.00 0.12 C ATOM 1475 C LEU A 180 8.034 5.170 -6.278 1.00 0.14 C ATOM 1476 O LEU A 180 8.231 5.121 -7.493 1.00 0.22 O ATOM 1477 CB LEU A 180 5.610 5.092 -5.858 1.00 0.17 C ATOM 1478 CG LEU A 180 5.416 4.097 -4.737 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.668 4.799 -3.430 1.00 0.14 C ATOM 1480 CD2 LEU A 180 4.025 3.519 -4.765 1.00 0.20 C ATOM 0 H LEU A 180 5.848 7.311 -6.890 1.00 0.13 H new ATOM 0 HA LEU A 180 7.053 6.112 -4.642 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.745 5.754 -5.902 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.652 4.558 -6.807 1.00 0.17 H new ATOM 0 HG LEU A 180 6.116 3.270 -4.858 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.533 4.096 -2.608 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.688 5.184 -3.414 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.966 5.626 -3.320 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.911 2.806 -3.949 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.295 4.321 -4.651 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.861 3.011 -5.716 1.00 0.20 H new ATOM 1492 N ALA A 181 8.800 4.584 -5.386 1.00 0.12 N ATOM 1493 CA ALA A 181 9.976 3.866 -5.759 1.00 0.13 C ATOM 1494 C ALA A 181 9.663 2.418 -6.092 1.00 0.14 C ATOM 1495 O ALA A 181 10.003 1.923 -7.165 1.00 0.15 O ATOM 1496 CB ALA A 181 10.962 3.938 -4.626 1.00 0.13 C ATOM 0 H ALA A 181 8.617 4.597 -4.383 1.00 0.12 H new ATOM 0 HA ALA A 181 10.398 4.320 -6.656 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.867 3.393 -4.896 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.212 4.980 -4.426 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.523 3.493 -3.733 1.00 0.13 H new ATOM 1502 N THR A 182 9.001 1.754 -5.160 1.00 0.15 N ATOM 1503 CA THR A 182 8.692 0.343 -5.287 1.00 0.18 C ATOM 1504 C THR A 182 7.888 -0.127 -4.102 1.00 0.17 C ATOM 1505 O THR A 182 7.664 0.617 -3.147 1.00 0.16 O ATOM 1506 CB THR A 182 9.962 -0.526 -5.339 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.647 -1.859 -5.765 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.587 -0.571 -3.957 1.00 0.24 C ATOM 0 H THR A 182 8.664 2.178 -4.296 1.00 0.15 H new ATOM 0 HA THR A 182 8.134 0.236 -6.217 1.00 0.18 H new ATOM 0 HB THR A 182 10.660 -0.090 -6.054 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.467 -2.396 -5.794 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.487 -1.185 -3.985 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.846 0.440 -3.642 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.877 -1.000 -3.250 1.00 0.24 H new ATOM 1516 N ILE A 183 7.508 -1.380 -4.181 1.00 0.20 N ATOM 1517 CA ILE A 183 6.785 -2.073 -3.151 1.00 0.18 C ATOM 1518 C ILE A 183 7.132 -3.543 -3.269 1.00 0.20 C ATOM 1519 O ILE A 183 6.875 -4.151 -4.304 1.00 0.28 O ATOM 1520 CB ILE A 183 5.282 -1.909 -3.327 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.893 -0.499 -2.963 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.537 -2.930 -2.501 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.670 0.388 -4.153 1.00 0.20 C ATOM 0 H ILE A 183 7.703 -1.963 -4.995 1.00 0.20 H new ATOM 0 HA ILE A 183 7.058 -1.666 -2.177 1.00 0.18 H new ATOM 0 HB ILE A 183 5.010 -2.083 -4.368 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.983 -0.525 -2.364 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.674 -0.065 -2.338 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.464 -2.797 -2.640 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.823 -3.933 -2.818 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.786 -2.798 -1.448 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.393 1.387 -3.816 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.586 0.445 -4.741 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.869 -0.022 -4.768 1.00 0.20 H new ATOM 1535 N VAL A 184 7.731 -4.108 -2.251 1.00 0.21 N ATOM 1536 CA VAL A 184 8.249 -5.460 -2.355 1.00 0.24 C ATOM 1537 C VAL A 184 7.703 -6.370 -1.292 1.00 0.23 C ATOM 1538 O VAL A 184 7.875 -6.093 -0.116 1.00 0.22 O ATOM 1539 CB VAL A 184 9.764 -5.451 -2.221 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.304 -6.858 -2.161 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.374 -4.674 -3.367 1.00 0.34 C ATOM 0 H VAL A 184 7.874 -3.662 -1.345 1.00 0.21 H new ATOM 0 HA VAL A 184 7.939 -5.833 -3.331 1.00 0.24 H new ATOM 0 HB VAL A 184 10.036 -4.958 -1.288 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.389 -6.827 -2.065 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.878 -7.375 -1.301 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.035 -7.390 -3.074 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.459 -4.670 -3.267 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.098 -5.143 -4.312 1.00 0.34 H new ATOM 0 HG23 VAL A 184 10.004 -3.649 -3.349 1.00 0.34 H new ATOM 1551 N ASN A 185 7.083 -7.471 -1.707 1.00 0.29 N ATOM 1552 CA ASN A 185 6.625 -8.484 -0.765 1.00 0.32 C ATOM 1553 C ASN A 185 7.812 -9.028 -0.019 1.00 0.33 C ATOM 1554 O ASN A 185 8.475 -9.965 -0.443 1.00 0.40 O ATOM 1555 CB ASN A 185 5.867 -9.607 -1.476 1.00 0.44 C ATOM 1556 CG ASN A 185 4.555 -9.134 -2.063 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.932 -8.213 -1.545 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.128 -9.758 -3.146 1.00 1.57 N ATOM 0 H ASN A 185 6.887 -7.683 -2.685 1.00 0.29 H new ATOM 0 HA ASN A 185 5.929 -8.026 -0.062 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.491 -10.017 -2.270 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.676 -10.416 -0.771 1.00 0.44 H new ATOM 0 HD21 ASN A 185 3.250 -9.478 -3.583 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.677 -10.520 -3.546 1.00 1.57 H new ATOM 1565 N MET A 186 8.010 -8.415 1.125 1.00 0.31 N ATOM 1566 CA MET A 186 9.191 -8.536 1.956 1.00 0.36 C ATOM 1567 C MET A 186 9.461 -9.937 2.375 1.00 0.43 C ATOM 1568 O MET A 186 10.557 -10.279 2.816 1.00 0.53 O ATOM 1569 CB MET A 186 8.967 -7.674 3.168 1.00 0.36 C ATOM 1570 CG MET A 186 9.099 -6.216 2.855 1.00 0.34 C ATOM 1571 SD MET A 186 10.788 -5.769 2.402 1.00 0.94 S ATOM 1572 CE MET A 186 11.654 -6.087 3.939 1.00 1.42 C ATOM 0 H MET A 186 7.315 -7.784 1.525 1.00 0.31 H new ATOM 0 HA MET A 186 10.062 -8.218 1.383 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.974 -7.869 3.572 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.685 -7.944 3.942 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.425 -5.959 2.038 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.789 -5.630 3.721 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.590 -5.529 3.951 1.00 1.42 H new ATOM 0 HE2 MET A 186 11.033 -5.772 4.778 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.865 -7.153 4.024 1.00 1.42 H new ATOM 1582 N GLU A 187 8.458 -10.737 2.229 1.00 0.43 N ATOM 1583 CA GLU A 187 8.520 -12.083 2.638 1.00 0.51 C ATOM 1584 C GLU A 187 9.476 -12.839 1.764 1.00 0.59 C ATOM 1585 O GLU A 187 10.280 -13.655 2.221 1.00 0.68 O ATOM 1586 CB GLU A 187 7.138 -12.651 2.544 1.00 0.50 C ATOM 1587 CG GLU A 187 6.102 -11.619 2.924 1.00 0.42 C ATOM 1588 CD GLU A 187 4.984 -12.154 3.790 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.259 -11.334 4.386 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.839 -13.392 3.892 1.00 0.67 O ATOM 0 H GLU A 187 7.566 -10.463 1.817 1.00 0.43 H new ATOM 0 HA GLU A 187 8.881 -12.162 3.663 1.00 0.51 H new ATOM 0 HB2 GLU A 187 6.953 -13.001 1.528 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.051 -13.517 3.200 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.595 -10.802 3.450 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.673 -11.199 2.014 1.00 0.42 H new ATOM 1597 N ASN A 188 9.380 -12.536 0.499 1.00 0.58 N ATOM 1598 CA ASN A 188 10.258 -13.127 -0.481 1.00 0.67 C ATOM 1599 C ASN A 188 11.205 -12.112 -1.103 1.00 0.64 C ATOM 1600 O ASN A 188 12.243 -12.492 -1.634 1.00 0.74 O ATOM 1601 CB ASN A 188 9.471 -13.847 -1.577 1.00 0.73 C ATOM 1602 CG ASN A 188 8.487 -12.937 -2.282 1.00 1.45 C ATOM 1603 OD1 ASN A 188 8.856 -12.189 -3.188 1.00 2.36 O ATOM 1604 ND2 ASN A 188 7.225 -13.006 -1.880 1.00 1.95 N ATOM 0 H ASN A 188 8.699 -11.879 0.118 1.00 0.58 H new ATOM 0 HA ASN A 188 10.862 -13.858 0.057 1.00 0.67 H new ATOM 0 HB2 ASN A 188 10.167 -14.259 -2.308 1.00 0.73 H new ATOM 0 HB3 ASN A 188 8.933 -14.688 -1.140 1.00 0.73 H new ATOM 0 HD21 ASN A 188 6.515 -12.425 -2.326 1.00 1.95 H new ATOM 0 HD22 ASN A 188 6.964 -13.640 -1.125 1.00 1.95 H new ATOM 1611 N ASN A 189 10.836 -10.818 -1.009 1.00 0.53 N ATOM 1612 CA ASN A 189 11.618 -9.702 -1.524 1.00 0.52 C ATOM 1613 C ASN A 189 12.243 -9.958 -2.899 1.00 0.61 C ATOM 1614 O ASN A 189 13.278 -9.381 -3.241 1.00 0.71 O ATOM 1615 CB ASN A 189 12.634 -9.274 -0.462 1.00 0.59 C ATOM 1616 CG ASN A 189 13.829 -10.207 -0.263 1.00 1.12 C ATOM 1617 OD1 ASN A 189 14.351 -10.812 -1.197 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.275 -10.322 0.977 1.00 1.74 N ATOM 0 H ASN A 189 9.967 -10.526 -0.562 1.00 0.53 H new ATOM 0 HA ASN A 189 10.938 -8.871 -1.714 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.010 -8.285 -0.725 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.114 -9.174 0.491 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.073 -10.925 1.178 1.00 1.74 H new ATOM 0 HD22 ASN A 189 13.821 -9.807 1.732 1.00 1.74 H new