USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot 109:sc= 1.14 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.976 USER MOD Set 2.1: A 7 THR OG1 : rot 150:sc= -0.336 USER MOD Set 2.2: A 9 THR OG1 : rot -60:sc= 0.529 USER MOD Set 2.3: A 11 LYS NZ :NH3+ -175:sc= 0.484 (180deg=-0.16) USER MOD Single : A 1 MET CE :methyl -113:sc= -1.75! (180deg=-2.56!) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.19 (180deg=0.818) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0188 (180deg=-0.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -179:sc= -4.06! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= -0.65 (180deg=-2.16!) USER MOD Single : A 40 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.04 F(o=-3.1!,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 29:sc= 0.0464 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.340 24.430 2.614 1.00 49.53 N ATOM 2 CA MET A 1 26.266 25.413 2.842 1.00 50.07 C ATOM 3 C MET A 1 26.881 26.633 3.570 1.00 50.51 C ATOM 4 O MET A 1 27.739 26.440 4.430 1.00 49.49 O ATOM 5 CB MET A 1 25.139 24.798 3.669 1.00 49.82 C ATOM 6 CG MET A 1 24.168 23.940 2.871 1.00 49.86 C ATOM 7 SD MET A 1 22.849 23.250 3.890 1.00 49.91 S ATOM 8 CE MET A 1 21.897 24.722 4.253 1.00 49.78 C ATOM 0 H1 MET A 1 26.954 23.468 2.700 1.00 49.53 H new ATOM 0 H2 MET A 1 27.734 24.561 1.661 1.00 49.53 H new ATOM 0 H3 MET A 1 28.091 24.566 3.321 1.00 49.53 H new ATOM 0 HA MET A 1 25.835 25.726 1.891 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.576 24.189 4.460 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.582 25.600 4.154 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.729 24.540 2.074 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.715 23.127 2.393 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.968 24.948 5.317 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.289 25.560 3.677 1.00 49.78 H new ATOM 0 HE3 MET A 1 20.853 24.555 3.986 1.00 49.78 H new ATOM 18 N GLN A 2 26.404 27.779 3.185 1.00 49.53 N ATOM 19 CA GLN A 2 26.896 29.028 3.847 1.00 50.07 C ATOM 20 C GLN A 2 26.110 29.274 5.126 1.00 50.51 C ATOM 21 O GLN A 2 24.878 29.022 5.230 1.00 49.49 O ATOM 22 CB GLN A 2 26.757 30.229 2.907 1.00 49.82 C ATOM 23 CG GLN A 2 27.793 30.275 1.797 1.00 49.82 C ATOM 24 CD GLN A 2 27.606 31.468 0.880 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.721 32.301 1.094 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.437 31.556 -0.152 1.00 49.38 N ATOM 0 H GLN A 2 25.706 27.912 2.453 1.00 49.53 H new ATOM 0 HA GLN A 2 27.951 28.902 4.090 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.763 30.213 2.460 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.828 31.145 3.493 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.790 30.310 2.236 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.735 29.358 1.211 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.155 30.845 -0.291 1.00 49.38 H new ATOM 0 HE22 GLN A 2 28.358 32.335 -0.806 1.00 49.38 H new ATOM 35 N ILE A 3 26.826 29.717 6.149 1.00 49.53 N ATOM 36 CA ILE A 3 26.174 30.136 7.404 1.00 50.07 C ATOM 37 C ILE A 3 26.808 31.498 7.818 1.00 50.51 C ATOM 38 O ILE A 3 27.899 31.748 7.335 1.00 49.49 O ATOM 39 CB ILE A 3 26.368 29.105 8.531 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.839 29.043 8.950 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.879 27.735 8.088 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.087 28.211 10.188 1.00 49.73 C ATOM 0 H ILE A 3 27.843 29.799 6.147 1.00 49.53 H new ATOM 0 HA ILE A 3 25.100 30.224 7.242 1.00 50.07 H new ATOM 0 HB ILE A 3 25.778 29.417 9.393 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.425 28.635 8.126 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.200 30.056 9.126 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.023 27.018 8.896 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.820 27.790 7.837 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.443 27.413 7.213 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.152 28.215 10.422 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.530 28.630 11.026 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.758 27.187 10.010 1.00 49.73 H new ATOM 54 N PHE A 4 26.065 32.191 8.648 1.00 49.53 N ATOM 55 CA PHE A 4 26.604 33.524 9.115 1.00 50.07 C ATOM 56 C PHE A 4 26.824 33.524 10.602 1.00 50.51 C ATOM 57 O PHE A 4 25.898 33.074 11.292 1.00 49.49 O ATOM 58 CB PHE A 4 25.649 34.653 8.723 1.00 49.82 C ATOM 59 CG PHE A 4 25.675 34.987 7.258 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.011 34.188 6.339 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.362 36.099 6.797 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.034 34.494 4.991 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.385 36.408 5.451 1.00 49.88 C ATOM 64 CZ PHE A 4 25.720 35.604 4.547 1.00 49.88 C ATOM 0 H PHE A 4 25.152 31.917 9.012 1.00 49.53 H new ATOM 0 HA PHE A 4 27.564 33.689 8.627 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.634 34.372 9.004 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.903 35.546 9.294 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.470 33.318 6.680 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.886 36.731 7.499 1.00 49.88 H new ATOM 0 HE1 PHE A 4 24.514 33.863 4.285 1.00 49.88 H new ATOM 0 HE2 PHE A 4 26.923 37.278 5.106 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.737 35.844 3.494 1.00 49.88 H new ATOM 74 N VAL A 5 27.935 34.033 11.126 1.00 49.53 N ATOM 75 CA VAL A 5 28.134 34.128 12.558 1.00 50.07 C ATOM 76 C VAL A 5 28.211 35.608 13.003 1.00 50.51 C ATOM 77 O VAL A 5 29.239 36.183 12.624 1.00 49.49 O ATOM 78 CB VAL A 5 29.417 33.399 13.001 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.686 33.646 14.478 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.306 31.908 12.723 1.00 49.73 C ATOM 0 H VAL A 5 28.714 34.387 10.570 1.00 49.53 H new ATOM 0 HA VAL A 5 27.278 33.648 13.033 1.00 50.07 H new ATOM 0 HB VAL A 5 30.254 33.795 12.426 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.596 33.124 14.774 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.808 34.715 14.652 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.847 33.276 15.067 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.221 31.409 13.042 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.459 31.498 13.272 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.159 31.747 11.655 1.00 49.73 H new ATOM 90 N LYS A 6 27.209 36.078 13.662 1.00 49.53 N ATOM 91 CA LYS A 6 27.190 37.519 14.092 1.00 50.07 C ATOM 92 C LYS A 6 27.850 37.691 15.432 1.00 50.51 C ATOM 93 O LYS A 6 27.428 37.061 16.430 1.00 49.49 O ATOM 94 CB LYS A 6 25.754 38.045 14.140 1.00 49.82 C ATOM 95 CG LYS A 6 24.975 37.868 12.843 1.00 49.82 C ATOM 96 CD LYS A 6 25.671 38.561 11.681 1.00 49.82 C ATOM 97 CE LYS A 6 24.845 38.469 10.406 1.00 50.21 C ATOM 98 NZ LYS A 6 23.557 39.206 10.523 1.00 49.70 N ATOM 0 H LYS A 6 26.388 35.536 13.932 1.00 49.53 H new ATOM 0 HA LYS A 6 27.752 38.096 13.357 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.220 37.536 14.942 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.777 39.105 14.394 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.867 36.806 12.624 1.00 49.82 H new ATOM 0 HG3 LYS A 6 23.970 38.273 12.962 1.00 49.82 H new ATOM 0 HD2 LYS A 6 25.844 39.608 11.930 1.00 49.82 H new ATOM 0 HD3 LYS A 6 26.648 38.107 11.517 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.419 38.872 9.572 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.645 37.422 10.178 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.145 39.337 9.577 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.898 38.661 11.115 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.727 40.135 10.958 1.00 49.70 H new ATOM 112 N THR A 7 28.890 38.552 15.503 1.00 49.53 N ATOM 113 CA THR A 7 29.583 38.770 16.782 1.00 50.07 C ATOM 114 C THR A 7 28.686 39.726 17.571 1.00 50.51 C ATOM 115 O THR A 7 27.534 39.899 17.167 1.00 49.49 O ATOM 116 CB THR A 7 30.980 39.390 16.594 1.00 50.14 C ATOM 117 OG1 THR A 7 30.854 40.685 15.992 1.00 49.34 O ATOM 118 CG2 THR A 7 31.841 38.504 15.706 1.00 49.73 C ATOM 0 H THR A 7 29.255 39.089 14.716 1.00 49.53 H new ATOM 0 HA THR A 7 29.745 37.822 17.295 1.00 50.07 H new ATOM 0 HB THR A 7 31.456 39.480 17.571 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.591 41.258 16.291 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.825 38.957 15.584 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.949 37.522 16.167 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.367 38.397 14.730 1.00 49.73 H new ATOM 126 N LEU A 8 29.212 40.365 18.593 1.00 49.53 N ATOM 127 CA LEU A 8 28.396 41.272 19.431 1.00 50.07 C ATOM 128 C LEU A 8 28.819 42.720 19.283 1.00 50.51 C ATOM 129 O LEU A 8 28.287 43.592 19.996 1.00 49.49 O ATOM 130 CB LEU A 8 28.477 40.845 20.902 1.00 49.82 C ATOM 131 CG LEU A 8 27.412 39.835 21.348 1.00 49.91 C ATOM 132 CD1 LEU A 8 26.950 39.003 20.159 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.982 38.944 22.442 1.00 49.73 C ATOM 0 H LEU A 8 30.189 40.287 18.877 1.00 49.53 H new ATOM 0 HA LEU A 8 27.365 41.197 19.086 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.462 40.415 21.085 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.396 41.734 21.527 1.00 49.82 H new ATOM 0 HG LEU A 8 26.549 40.369 21.746 1.00 49.91 H new ATOM 0 HD11 LEU A 8 26.194 38.289 20.486 1.00 49.73 H new ATOM 0 HD12 LEU A 8 26.525 39.659 19.399 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.800 38.465 19.739 1.00 49.73 H new ATOM 0 HD21 LEU A 8 27.225 38.227 22.758 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.851 38.409 22.060 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.279 39.557 23.293 1.00 49.73 H new ATOM 145 N THR A 9 29.744 43.009 18.347 1.00 49.53 N ATOM 146 CA THR A 9 30.129 44.456 18.237 1.00 50.07 C ATOM 147 C THR A 9 29.503 44.970 16.976 1.00 50.51 C ATOM 148 O THR A 9 29.328 46.187 16.780 1.00 49.49 O ATOM 149 CB THR A 9 31.656 44.650 18.181 1.00 50.14 C ATOM 150 OG1 THR A 9 32.170 44.070 16.974 1.00 49.34 O ATOM 151 CG2 THR A 9 32.322 43.991 19.379 1.00 49.73 C ATOM 0 H THR A 9 30.203 42.354 17.714 1.00 49.53 H new ATOM 0 HA THR A 9 29.782 44.997 19.117 1.00 50.07 H new ATOM 0 HB THR A 9 31.872 45.718 18.200 1.00 50.14 H new ATOM 0 HG1 THR A 9 31.964 43.112 16.958 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.401 44.138 19.322 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.942 44.438 20.298 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.101 42.924 19.377 1.00 49.73 H new ATOM 159 N GLY A 10 29.291 44.126 16.015 1.00 49.53 N ATOM 160 CA GLY A 10 28.691 44.481 14.748 1.00 49.98 C ATOM 161 C GLY A 10 29.311 43.840 13.542 1.00 50.51 C ATOM 162 O GLY A 10 28.904 44.127 12.394 1.00 49.49 O ATOM 0 H GLY A 10 29.535 43.138 16.084 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.635 44.214 14.778 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.743 45.563 14.631 1.00 49.98 H new ATOM 166 N LYS A 11 30.310 43.026 13.766 1.00 49.53 N ATOM 167 CA LYS A 11 30.940 42.251 12.706 1.00 50.07 C ATOM 168 C LYS A 11 30.112 41.052 12.189 1.00 50.51 C ATOM 169 O LYS A 11 29.360 40.511 12.992 1.00 49.49 O ATOM 170 CB LYS A 11 32.312 41.757 13.169 1.00 49.82 C ATOM 171 CG LYS A 11 33.331 42.863 13.409 1.00 49.82 C ATOM 172 CD LYS A 11 34.704 42.291 13.727 1.00 49.82 C ATOM 173 CE LYS A 11 34.730 41.642 15.103 1.00 50.21 C ATOM 174 NZ LYS A 11 34.606 42.646 16.194 1.00 49.70 N ATOM 0 H LYS A 11 30.717 42.875 14.689 1.00 49.53 H new ATOM 0 HA LYS A 11 31.026 42.937 11.863 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.188 41.188 14.090 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.709 41.070 12.421 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.395 43.499 12.526 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.998 43.494 14.233 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.977 41.555 12.971 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.450 43.085 13.683 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.916 40.921 15.179 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.660 41.087 15.225 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.713 42.174 17.114 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.347 43.368 16.087 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.671 43.099 16.144 1.00 49.70 H new ATOM 188 N THR A 12 30.325 40.686 10.939 1.00 49.53 N ATOM 189 CA THR A 12 29.614 39.492 10.443 1.00 50.07 C ATOM 190 C THR A 12 30.641 38.462 9.975 1.00 50.51 C ATOM 191 O THR A 12 31.718 38.907 9.573 1.00 49.49 O ATOM 192 CB THR A 12 28.662 39.832 9.282 1.00 50.14 C ATOM 193 OG1 THR A 12 29.391 40.499 8.242 1.00 49.34 O ATOM 194 CG2 THR A 12 27.534 40.733 9.763 1.00 49.73 C ATOM 0 H THR A 12 30.941 41.154 10.274 1.00 49.53 H new ATOM 0 HA THR A 12 29.011 39.091 11.258 1.00 50.07 H new ATOM 0 HB THR A 12 28.235 38.905 8.899 1.00 50.14 H new ATOM 0 HG1 THR A 12 28.784 40.713 7.503 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.871 40.963 8.929 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.970 40.224 10.545 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.952 41.658 10.160 1.00 49.73 H new ATOM 202 N ILE A 13 30.231 37.194 9.955 1.00 49.53 N ATOM 203 CA ILE A 13 31.247 36.205 9.488 1.00 50.07 C ATOM 204 C ILE A 13 30.703 35.333 8.390 1.00 50.51 C ATOM 205 O ILE A 13 29.535 34.905 8.458 1.00 49.49 O ATOM 206 CB ILE A 13 31.736 35.312 10.643 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.262 36.172 11.796 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.812 34.354 10.156 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.533 35.393 13.063 1.00 49.73 C ATOM 0 H ILE A 13 29.313 36.837 10.220 1.00 49.53 H new ATOM 0 HA ILE A 13 32.087 36.782 9.102 1.00 50.07 H new ATOM 0 HB ILE A 13 30.894 34.724 11.008 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.181 36.665 11.480 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.537 36.957 12.011 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.146 33.730 10.985 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.406 33.721 9.367 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.656 34.923 9.766 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.903 36.069 13.834 1.00 49.73 H new ATOM 0 HD12 ILE A 13 31.611 34.922 13.405 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.281 34.625 12.865 1.00 49.73 H new ATOM 221 N THR A 14 31.513 35.001 7.410 1.00 49.53 N ATOM 222 CA THR A 14 30.971 34.100 6.350 1.00 50.07 C ATOM 223 C THR A 14 31.703 32.792 6.497 1.00 50.51 C ATOM 224 O THR A 14 32.960 32.773 6.575 1.00 49.49 O ATOM 225 CB THR A 14 31.187 34.667 4.935 1.00 50.14 C ATOM 226 OG1 THR A 14 30.384 35.842 4.760 1.00 49.34 O ATOM 227 CG2 THR A 14 30.806 33.636 3.883 1.00 49.73 C ATOM 0 H THR A 14 32.482 35.300 7.301 1.00 49.53 H new ATOM 0 HA THR A 14 29.894 33.988 6.471 1.00 50.07 H new ATOM 0 HB THR A 14 32.241 34.918 4.818 1.00 50.14 H new ATOM 0 HG1 THR A 14 30.524 36.203 3.860 1.00 49.34 H new ATOM 0 HG21 THR A 14 30.965 34.054 2.889 1.00 49.73 H new ATOM 0 HG22 THR A 14 31.423 32.746 4.005 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.756 33.368 4.000 1.00 49.73 H new ATOM 235 N LEU A 15 31.003 31.669 6.463 1.00 49.53 N ATOM 236 CA LEU A 15 31.618 30.368 6.611 1.00 50.07 C ATOM 237 C LEU A 15 31.323 29.321 5.531 1.00 50.51 C ATOM 238 O LEU A 15 30.138 29.121 5.302 1.00 49.49 O ATOM 239 CB LEU A 15 31.251 29.791 7.984 1.00 49.82 C ATOM 240 CG LEU A 15 31.799 30.568 9.187 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.256 29.978 10.482 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.320 30.524 9.171 1.00 49.73 C ATOM 0 H LEU A 15 29.992 31.638 6.332 1.00 49.53 H new ATOM 0 HA LEU A 15 32.684 30.567 6.501 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.165 29.748 8.064 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.615 28.765 8.038 1.00 49.82 H new ATOM 0 HG LEU A 15 31.477 31.608 9.125 1.00 49.91 H new ATOM 0 HD11 LEU A 15 31.651 30.537 11.330 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.168 30.040 10.482 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.560 28.934 10.562 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.709 31.076 10.026 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.655 29.488 9.226 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.687 30.976 8.250 1.00 49.73 H new ATOM 254 N GLU A 16 32.368 28.664 5.088 1.00 49.53 N ATOM 255 CA GLU A 16 32.114 27.535 4.134 1.00 50.07 C ATOM 256 C GLU A 16 32.150 26.198 4.841 1.00 50.51 C ATOM 257 O GLU A 16 33.238 25.705 5.134 1.00 49.49 O ATOM 258 CB GLU A 16 33.137 27.556 2.996 1.00 49.82 C ATOM 259 CG GLU A 16 33.163 28.851 2.197 1.00 49.72 C ATOM 260 CD GLU A 16 34.296 28.862 1.209 1.00 50.62 C ATOM 261 OE1 GLU A 16 35.425 28.765 1.628 1.00 49.24 O ATOM 262 OE2 GLU A 16 34.031 28.853 0.030 1.00 49.24 O ATOM 0 H GLU A 16 33.342 28.846 5.330 1.00 49.53 H new ATOM 0 HA GLU A 16 31.116 27.671 3.717 1.00 50.07 H new ATOM 0 HB2 GLU A 16 34.129 27.380 3.412 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.925 26.729 2.318 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.217 28.974 1.670 1.00 49.72 H new ATOM 0 HG3 GLU A 16 33.262 29.698 2.876 1.00 49.72 H new ATOM 269 N VAL A 17 30.947 25.765 5.187 1.00 49.53 N ATOM 270 CA VAL A 17 30.755 24.518 5.919 1.00 50.07 C ATOM 271 C VAL A 17 29.863 23.475 5.231 1.00 50.51 C ATOM 272 O VAL A 17 29.378 23.669 4.092 1.00 49.49 O ATOM 273 CB VAL A 17 30.183 24.791 7.323 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.206 25.520 8.181 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.898 25.598 7.227 1.00 49.73 C ATOM 0 H VAL A 17 30.082 26.261 4.972 1.00 49.53 H new ATOM 0 HA VAL A 17 31.756 24.088 5.966 1.00 50.07 H new ATOM 0 HB VAL A 17 29.955 23.835 7.794 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.786 25.705 9.170 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.103 24.908 8.277 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.463 26.470 7.712 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.508 25.782 8.228 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.102 26.550 6.737 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.162 25.042 6.647 1.00 49.73 H new ATOM 285 N GLU A 18 29.650 22.424 5.991 1.00 49.53 N ATOM 286 CA GLU A 18 28.745 21.332 5.630 1.00 50.07 C ATOM 287 C GLU A 18 28.214 20.711 6.913 1.00 50.51 C ATOM 288 O GLU A 18 28.829 20.799 7.964 1.00 49.49 O ATOM 289 CB GLU A 18 29.466 20.282 4.781 1.00 49.82 C ATOM 290 CG GLU A 18 30.804 19.827 5.346 1.00 49.72 C ATOM 291 CD GLU A 18 31.358 18.664 4.571 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.747 18.275 3.604 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.446 18.237 4.875 1.00 49.24 O ATOM 0 H GLU A 18 30.104 22.293 6.895 1.00 49.53 H new ATOM 0 HA GLU A 18 27.920 21.720 5.033 1.00 50.07 H new ATOM 0 HB2 GLU A 18 28.817 19.413 4.672 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.626 20.688 3.782 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.513 20.655 5.320 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.682 19.545 6.392 1.00 49.72 H new ATOM 300 N PRO A 19 27.048 20.095 6.841 1.00 49.71 N ATOM 301 CA PRO A 19 26.445 19.413 7.987 1.00 50.02 C ATOM 302 C PRO A 19 27.373 18.386 8.585 1.00 50.51 C ATOM 303 O PRO A 19 27.245 17.997 9.754 1.00 49.49 O ATOM 304 CB PRO A 19 25.185 18.746 7.392 1.00 49.82 C ATOM 305 CG PRO A 19 24.828 19.658 6.265 1.00 49.82 C ATOM 306 CD PRO A 19 26.202 19.985 5.627 1.00 50.00 C ATOM 0 HA PRO A 19 26.221 20.098 8.804 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.390 17.734 7.044 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.381 18.675 8.125 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.158 19.176 5.553 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.324 20.557 6.619 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.544 19.199 4.954 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.182 20.910 5.051 1.00 50.00 H new ATOM 314 N SER A 20 28.302 17.881 7.789 1.00 49.53 N ATOM 315 CA SER A 20 29.214 16.834 8.277 1.00 50.07 C ATOM 316 C SER A 20 30.092 17.335 9.400 1.00 50.51 C ATOM 317 O SER A 20 30.564 16.501 10.192 1.00 49.49 O ATOM 318 CB SER A 20 30.066 16.314 7.136 1.00 50.05 C ATOM 319 OG SER A 20 30.957 17.284 6.659 1.00 49.34 O ATOM 0 H SER A 20 28.451 18.165 6.821 1.00 49.53 H new ATOM 0 HA SER A 20 28.606 16.021 8.673 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.626 15.441 7.471 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.420 15.985 6.322 1.00 50.05 H new ATOM 0 HG SER A 20 31.479 16.912 5.917 1.00 49.34 H new ATOM 325 N ASP A 21 30.416 18.630 9.377 1.00 49.53 N ATOM 326 CA ASP A 21 31.299 19.133 10.463 1.00 50.07 C ATOM 327 C ASP A 21 30.672 19.186 11.833 1.00 50.51 C ATOM 328 O ASP A 21 29.452 19.407 11.969 1.00 49.49 O ATOM 329 CB ASP A 21 31.832 20.521 10.098 1.00 49.72 C ATOM 330 CG ASP A 21 32.883 20.521 8.996 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.936 19.966 9.206 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.570 20.934 7.905 1.00 49.24 O ATOM 0 H ASP A 21 30.115 19.314 8.682 1.00 49.53 H new ATOM 0 HA ASP A 21 32.102 18.400 10.536 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.996 21.147 9.786 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.259 20.979 10.990 1.00 49.72 H new ATOM 337 N THR A 22 31.497 19.012 12.851 1.00 49.53 N ATOM 338 CA THR A 22 31.065 19.125 14.224 1.00 50.07 C ATOM 339 C THR A 22 31.314 20.566 14.728 1.00 50.51 C ATOM 340 O THR A 22 31.963 21.352 14.032 1.00 49.49 O ATOM 341 CB THR A 22 31.801 18.129 15.139 1.00 50.14 C ATOM 342 OG1 THR A 22 33.178 18.512 15.256 1.00 49.34 O ATOM 343 CG2 THR A 22 31.717 16.721 14.572 1.00 49.73 C ATOM 0 H THR A 22 32.486 18.788 12.743 1.00 49.53 H new ATOM 0 HA THR A 22 30.001 18.891 14.259 1.00 50.07 H new ATOM 0 HB THR A 22 31.328 18.143 16.121 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.645 17.879 15.840 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.243 16.031 15.232 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.672 16.422 14.493 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.176 16.699 13.584 1.00 49.73 H new ATOM 351 N ILE A 23 30.745 20.815 15.908 1.00 49.53 N ATOM 352 CA ILE A 23 30.948 22.094 16.584 1.00 50.07 C ATOM 353 C ILE A 23 32.425 22.374 16.868 1.00 50.51 C ATOM 354 O ILE A 23 32.866 23.529 17.005 1.00 49.49 O ATOM 355 CB ILE A 23 30.165 22.159 17.907 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.659 22.084 17.640 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.511 23.428 18.669 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.136 23.209 16.776 1.00 49.73 C ATOM 0 H ILE A 23 30.148 20.157 16.409 1.00 49.53 H new ATOM 0 HA ILE A 23 30.575 22.857 15.900 1.00 50.07 H new ATOM 0 HB ILE A 23 30.449 21.304 18.520 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.432 21.133 17.159 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.130 22.094 18.593 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.948 23.457 19.602 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.579 23.441 18.889 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.255 24.297 18.063 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.063 23.088 16.631 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.331 24.164 17.265 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.637 23.188 15.808 1.00 49.73 H new ATOM 370 N GLU A 24 33.207 21.325 16.977 1.00 49.53 N ATOM 371 CA GLU A 24 34.684 21.500 17.188 1.00 50.07 C ATOM 372 C GLU A 24 35.487 22.020 16.021 1.00 50.51 C ATOM 373 O GLU A 24 36.354 22.913 16.176 1.00 49.49 O ATOM 374 CB GLU A 24 35.293 20.178 17.660 1.00 49.82 C ATOM 375 CG GLU A 24 36.800 20.220 17.871 1.00 49.72 C ATOM 376 CD GLU A 24 37.281 19.005 18.615 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.783 18.752 19.686 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.065 18.268 18.065 1.00 49.24 O ATOM 0 H GLU A 24 32.889 20.357 16.929 1.00 49.53 H new ATOM 0 HA GLU A 24 34.750 22.288 17.938 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.815 19.885 18.595 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.062 19.404 16.928 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.303 20.281 16.906 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.067 21.119 18.427 1.00 49.72 H new ATOM 385 N ASN A 25 35.257 21.458 14.846 1.00 49.53 N ATOM 386 CA ASN A 25 35.946 21.827 13.603 1.00 50.07 C ATOM 387 C ASN A 25 35.574 23.247 13.183 1.00 50.51 C ATOM 388 O ASN A 25 36.454 24.066 12.846 1.00 49.49 O ATOM 389 CB ASN A 25 35.639 20.848 12.484 1.00 49.82 C ATOM 390 CG ASN A 25 36.312 19.513 12.647 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.414 19.413 13.198 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.693 18.499 12.098 1.00 49.38 N ATOM 0 H ASN A 25 34.571 20.714 14.718 1.00 49.53 H new ATOM 0 HA ASN A 25 37.018 21.787 13.797 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.561 20.697 12.431 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.947 21.287 11.535 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.119 17.573 12.113 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.784 18.635 11.656 1.00 49.38 H new ATOM 399 N VAL A 26 34.269 23.481 13.157 1.00 49.53 N ATOM 400 CA VAL A 26 33.757 24.800 12.804 1.00 50.07 C ATOM 401 C VAL A 26 34.355 25.905 13.669 1.00 50.51 C ATOM 402 O VAL A 26 34.560 27.035 13.215 1.00 49.49 O ATOM 403 CB VAL A 26 32.222 24.854 12.918 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.715 26.257 12.618 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.582 23.845 11.976 1.00 49.73 C ATOM 0 H VAL A 26 33.554 22.787 13.373 1.00 49.53 H new ATOM 0 HA VAL A 26 34.054 24.970 11.769 1.00 50.07 H new ATOM 0 HB VAL A 26 31.943 24.597 13.940 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.629 26.277 12.703 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.148 26.960 13.330 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.005 26.540 11.606 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.497 23.897 12.070 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.869 24.073 10.949 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.921 22.841 12.233 1.00 49.73 H new ATOM 415 N LYS A 27 34.670 25.559 14.912 1.00 49.53 N ATOM 416 CA LYS A 27 35.249 26.537 15.843 1.00 50.07 C ATOM 417 C LYS A 27 36.730 26.582 15.503 1.00 50.51 C ATOM 418 O LYS A 27 37.415 27.558 15.898 1.00 49.49 O ATOM 419 CB LYS A 27 35.029 26.121 17.299 1.00 49.82 C ATOM 420 CG LYS A 27 33.604 26.318 17.800 1.00 49.82 C ATOM 421 CD LYS A 27 33.516 26.123 19.307 1.00 49.82 C ATOM 422 CE LYS A 27 32.090 26.300 19.806 1.00 50.21 C ATOM 423 NZ LYS A 27 31.984 26.086 21.275 1.00 49.70 N ATOM 0 H LYS A 27 34.539 24.625 15.300 1.00 49.53 H new ATOM 0 HA LYS A 27 34.779 27.515 15.742 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.298 25.070 17.409 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.707 26.692 17.934 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.260 27.319 17.540 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.940 25.613 17.300 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.874 25.127 19.568 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.170 26.838 19.807 1.00 49.82 H new ATOM 0 HE2 LYS A 27 31.741 27.303 19.559 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.435 25.599 19.289 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 30.997 26.216 21.574 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.292 25.121 21.508 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.589 26.772 21.770 1.00 49.70 H new ATOM 437 N ALA A 28 37.243 25.565 14.843 1.00 49.53 N ATOM 438 CA ALA A 28 38.645 25.542 14.408 1.00 50.07 C ATOM 439 C ALA A 28 38.835 26.150 13.030 1.00 50.51 C ATOM 440 O ALA A 28 39.998 26.494 12.627 1.00 49.49 O ATOM 441 CB ALA A 28 39.187 24.101 14.435 1.00 49.73 C ATOM 0 H ALA A 28 36.714 24.731 14.589 1.00 49.53 H new ATOM 0 HA ALA A 28 39.210 26.156 15.110 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.228 24.097 14.110 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.122 23.707 15.449 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.596 23.477 13.765 1.00 49.73 H new ATOM 447 N LYS A 29 37.775 26.344 12.259 1.00 49.53 N ATOM 448 CA LYS A 29 37.881 27.010 10.945 1.00 50.07 C ATOM 449 C LYS A 29 37.683 28.521 11.168 1.00 50.51 C ATOM 450 O LYS A 29 38.336 29.394 10.546 1.00 49.49 O ATOM 451 CB LYS A 29 36.839 26.464 9.968 1.00 49.82 C ATOM 452 CG LYS A 29 37.199 25.120 9.350 1.00 49.82 C ATOM 453 CD LYS A 29 38.387 25.244 8.408 1.00 49.82 C ATOM 454 CE LYS A 29 38.000 25.948 7.116 1.00 50.21 C ATOM 455 NZ LYS A 29 39.163 26.118 6.204 1.00 49.70 N ATOM 0 H LYS A 29 36.829 26.055 12.509 1.00 49.53 H new ATOM 0 HA LYS A 29 38.860 26.818 10.506 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.886 26.367 10.489 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.693 27.190 9.168 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.431 24.405 10.139 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.341 24.726 8.806 1.00 49.82 H new ATOM 0 HD2 LYS A 29 39.187 25.797 8.900 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.778 24.252 8.181 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.223 25.375 6.610 1.00 50.21 H new ATOM 0 HE3 LYS A 29 37.576 26.925 7.348 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.856 26.602 5.336 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 39.895 26.686 6.677 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 39.553 25.185 5.961 1.00 49.70 H new ATOM 469 N ILE A 30 36.812 28.852 12.121 1.00 49.53 N ATOM 470 CA ILE A 30 36.556 30.275 12.409 1.00 50.07 C ATOM 471 C ILE A 30 37.826 31.012 12.858 1.00 50.51 C ATOM 472 O ILE A 30 37.917 32.250 12.689 1.00 49.49 O ATOM 473 CB ILE A 30 35.472 30.443 13.490 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.095 30.084 12.926 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.476 31.865 14.030 1.00 49.73 C ATOM 476 CD1 ILE A 30 32.987 30.116 13.954 1.00 49.73 C ATOM 0 H ILE A 30 36.287 28.189 12.691 1.00 49.53 H new ATOM 0 HA ILE A 30 36.209 30.715 11.474 1.00 50.07 H new ATOM 0 HB ILE A 30 35.694 29.763 14.313 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.851 30.777 12.121 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.141 29.088 12.486 1.00 49.82 H new ATOM 0 HG21 ILE A 30 34.704 31.967 14.793 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.450 32.085 14.467 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.277 32.563 13.217 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.042 29.851 13.479 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.207 29.403 14.748 1.00 49.73 H new ATOM 0 HD13 ILE A 30 32.912 31.118 14.377 1.00 49.73 H new ATOM 488 N GLN A 31 38.752 30.332 13.486 1.00 49.53 N ATOM 489 CA GLN A 31 39.995 31.049 13.911 1.00 50.07 C ATOM 490 C GLN A 31 40.468 31.793 12.652 1.00 50.51 C ATOM 491 O GLN A 31 40.778 33.006 12.594 1.00 49.49 O ATOM 492 CB GLN A 31 41.066 30.069 14.400 1.00 49.82 C ATOM 493 CG GLN A 31 42.253 30.732 15.077 1.00 49.82 C ATOM 494 CD GLN A 31 43.278 29.725 15.564 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.145 28.521 15.330 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.306 30.212 16.249 1.00 49.38 N ATOM 0 H GLN A 31 38.707 29.340 13.718 1.00 49.53 H new ATOM 0 HA GLN A 31 39.807 31.725 14.745 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.609 29.367 15.098 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.425 29.487 13.551 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.728 31.421 14.378 1.00 49.82 H new ATOM 0 HG3 GLN A 31 41.902 31.326 15.921 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.376 31.215 16.419 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.026 29.583 16.605 1.00 49.38 H new ATOM 505 N ASP A 32 40.572 31.023 11.594 1.00 49.53 N ATOM 506 CA ASP A 32 40.998 31.589 10.293 1.00 50.07 C ATOM 507 C ASP A 32 40.260 32.866 9.952 1.00 50.51 C ATOM 508 O ASP A 32 40.804 33.841 9.383 1.00 49.49 O ATOM 509 CB ASP A 32 40.801 30.560 9.177 1.00 49.72 C ATOM 510 CG ASP A 32 41.728 29.355 9.262 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.920 29.540 9.183 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.253 28.285 9.560 1.00 49.24 O ATOM 0 H ASP A 32 40.377 30.022 11.585 1.00 49.53 H new ATOM 0 HA ASP A 32 42.056 31.836 10.382 1.00 50.07 H new ATOM 0 HB2 ASP A 32 39.769 30.211 9.199 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.951 31.051 8.216 1.00 49.72 H new ATOM 517 N LYS A 33 38.941 32.907 10.215 1.00 49.53 N ATOM 518 CA LYS A 33 38.216 34.132 9.781 1.00 50.07 C ATOM 519 C LYS A 33 38.489 35.333 10.615 1.00 50.51 C ATOM 520 O LYS A 33 38.737 36.423 9.993 1.00 49.49 O ATOM 521 CB LYS A 33 36.710 33.864 9.748 1.00 49.82 C ATOM 522 CG LYS A 33 36.261 32.935 8.628 1.00 49.82 C ATOM 523 CD LYS A 33 36.912 31.566 8.751 1.00 49.82 C ATOM 524 CE LYS A 33 36.388 30.606 7.693 1.00 50.21 C ATOM 525 NZ LYS A 33 37.074 29.286 7.749 1.00 49.70 N ATOM 0 H LYS A 33 38.390 32.185 10.680 1.00 49.53 H new ATOM 0 HA LYS A 33 38.592 34.361 8.784 1.00 50.07 H new ATOM 0 HB2 LYS A 33 36.409 33.434 10.703 1.00 49.82 H new ATOM 0 HB3 LYS A 33 36.186 34.815 9.647 1.00 49.82 H new ATOM 0 HG2 LYS A 33 35.177 32.828 8.654 1.00 49.82 H new ATOM 0 HG3 LYS A 33 36.515 33.375 7.664 1.00 49.82 H new ATOM 0 HD2 LYS A 33 37.993 31.665 8.652 1.00 49.82 H new ATOM 0 HD3 LYS A 33 36.719 31.157 9.743 1.00 49.82 H new ATOM 0 HE2 LYS A 33 35.316 30.464 7.831 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.526 31.045 6.705 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.371 28.525 7.660 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.759 29.217 6.969 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 37.573 29.192 8.657 1.00 49.70 H new ATOM 539 N GLU A 34 38.566 35.293 11.916 1.00 49.53 N ATOM 540 CA GLU A 34 38.831 36.428 12.772 1.00 50.07 C ATOM 541 C GLU A 34 40.163 36.256 13.457 1.00 50.51 C ATOM 542 O GLU A 34 41.048 37.102 13.291 1.00 49.49 O ATOM 543 CB GLU A 34 37.718 36.595 13.808 1.00 49.82 C ATOM 544 CG GLU A 34 36.317 36.671 13.219 1.00 49.72 C ATOM 545 CD GLU A 34 35.268 36.464 14.276 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.348 35.488 14.982 1.00 49.24 O ATOM 547 OE2 GLU A 34 34.451 37.337 14.453 1.00 49.24 O ATOM 0 H GLU A 34 38.440 34.427 12.439 1.00 49.53 H new ATOM 0 HA GLU A 34 38.862 37.328 12.157 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.760 35.759 14.507 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.907 37.501 14.383 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.172 37.642 12.745 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.206 35.916 12.441 1.00 49.72 H new ATOM 554 N GLY A 35 40.303 35.229 14.279 1.00 49.53 N ATOM 555 CA GLY A 35 41.546 34.918 14.934 1.00 49.98 C ATOM 556 C GLY A 35 41.359 34.377 16.296 1.00 50.51 C ATOM 557 O GLY A 35 42.302 33.768 16.867 1.00 49.49 O ATOM 0 H GLY A 35 39.545 34.586 14.507 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.096 34.194 14.333 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.158 35.818 14.987 1.00 49.98 H new ATOM 561 N ILE A 36 40.164 34.553 16.885 1.00 49.53 N ATOM 562 CA ILE A 36 39.954 34.016 18.239 1.00 50.07 C ATOM 563 C ILE A 36 40.155 32.524 18.443 1.00 50.51 C ATOM 564 O ILE A 36 39.574 31.700 17.715 1.00 49.49 O ATOM 565 CB ILE A 36 38.548 34.378 18.749 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.290 35.878 18.587 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.386 33.961 20.203 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.138 36.745 19.490 1.00 49.73 C ATOM 0 H ILE A 36 39.367 35.037 16.471 1.00 49.53 H new ATOM 0 HA ILE A 36 40.752 34.493 18.807 1.00 50.07 H new ATOM 0 HB ILE A 36 37.814 33.837 18.153 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.476 36.159 17.550 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.238 36.080 18.789 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.386 34.224 20.548 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.528 32.884 20.291 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.128 34.476 20.814 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.898 37.794 19.317 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.936 36.493 20.531 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.192 36.574 19.274 1.00 49.73 H new ATOM 580 N PRO A 37 40.952 32.154 19.438 1.00 49.71 N ATOM 581 CA PRO A 37 41.213 30.744 19.780 1.00 50.02 C ATOM 582 C PRO A 37 39.918 30.011 20.076 1.00 50.51 C ATOM 583 O PRO A 37 39.074 30.571 20.823 1.00 49.49 O ATOM 584 CB PRO A 37 42.037 30.916 21.092 1.00 49.82 C ATOM 585 CG PRO A 37 42.766 32.210 20.878 1.00 49.82 C ATOM 586 CD PRO A 37 41.668 33.112 20.332 1.00 50.00 C ATOM 0 HA PRO A 37 41.704 30.173 18.992 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.391 30.959 21.969 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.727 30.086 21.245 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.188 32.598 21.805 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.591 32.101 20.174 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.025 33.505 21.119 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.067 33.968 19.788 1.00 50.00 H new ATOM 594 N PRO A 38 39.748 28.806 19.589 1.00 49.71 N ATOM 595 CA PRO A 38 38.501 28.065 19.839 1.00 50.02 C ATOM 596 C PRO A 38 38.194 27.885 21.302 1.00 50.51 C ATOM 597 O PRO A 38 37.011 27.849 21.736 1.00 49.49 O ATOM 598 CB PRO A 38 38.693 26.767 19.060 1.00 49.82 C ATOM 599 CG PRO A 38 39.624 27.183 17.924 1.00 49.82 C ATOM 600 CD PRO A 38 40.650 28.052 18.683 1.00 50.00 C ATOM 0 HA PRO A 38 37.614 28.603 19.503 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.135 25.986 19.679 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.747 26.378 18.684 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.090 26.326 17.438 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.102 27.744 17.149 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.379 27.452 19.228 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.211 28.707 18.017 1.00 50.00 H new ATOM 608 N ASP A 39 39.201 27.770 22.134 1.00 49.53 N ATOM 609 CA ASP A 39 38.977 27.533 23.586 1.00 50.07 C ATOM 610 C ASP A 39 38.307 28.771 24.170 1.00 50.51 C ATOM 611 O ASP A 39 37.492 28.714 25.132 1.00 49.49 O ATOM 612 CB ASP A 39 40.298 27.245 24.304 1.00 49.72 C ATOM 613 CG ASP A 39 41.317 28.373 24.223 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.872 28.572 23.168 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.419 29.123 25.164 1.00 49.24 O ATOM 0 H ASP A 39 40.181 27.832 21.860 1.00 49.53 H new ATOM 0 HA ASP A 39 38.338 26.661 23.723 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.089 27.035 25.353 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.739 26.343 23.880 1.00 49.72 H new ATOM 620 N GLN A 40 38.542 29.918 23.555 1.00 49.53 N ATOM 621 CA GLN A 40 37.902 31.160 24.048 1.00 50.07 C ATOM 622 C GLN A 40 36.556 31.471 23.366 1.00 50.51 C ATOM 623 O GLN A 40 35.958 32.495 23.674 1.00 49.49 O ATOM 624 CB GLN A 40 38.848 32.350 23.864 1.00 49.82 C ATOM 625 CG GLN A 40 40.104 32.284 24.716 1.00 49.82 C ATOM 626 CD GLN A 40 41.020 33.471 24.489 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.729 34.589 24.924 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.132 33.237 23.802 1.00 49.38 N ATOM 0 H GLN A 40 39.146 30.032 22.741 1.00 49.53 H new ATOM 0 HA GLN A 40 37.694 30.994 25.105 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.137 32.411 22.815 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.310 33.268 24.101 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.824 32.241 25.768 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.644 31.364 24.492 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.333 32.297 23.461 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.786 33.997 23.615 1.00 49.38 H new ATOM 637 N GLN A 41 36.090 30.599 22.499 1.00 49.53 N ATOM 638 CA GLN A 41 34.869 30.789 21.754 1.00 50.07 C ATOM 639 C GLN A 41 33.755 29.978 22.380 1.00 50.51 C ATOM 640 O GLN A 41 33.844 28.795 22.673 1.00 49.49 O ATOM 641 CB GLN A 41 35.058 30.379 20.291 1.00 49.82 C ATOM 642 CG GLN A 41 36.040 31.247 19.523 1.00 49.82 C ATOM 643 CD GLN A 41 36.244 30.767 18.098 1.00 50.55 C ATOM 644 OE1 GLN A 41 37.173 31.399 17.390 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 35.576 29.836 17.640 1.00 49.38 N flip ATOM 0 H GLN A 41 36.561 29.719 22.289 1.00 49.53 H new ATOM 0 HA GLN A 41 34.605 31.846 21.783 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.400 29.345 20.257 1.00 49.82 H new ATOM 0 HB3 GLN A 41 34.091 30.412 19.788 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.678 32.275 19.509 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.998 31.253 20.042 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.873 29.379 18.220 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.727 29.523 16.681 1.00 49.38 H new ATOM 654 N ARG A 42 32.573 30.589 22.408 1.00 49.53 N ATOM 655 CA ARG A 42 31.333 29.865 22.832 1.00 50.07 C ATOM 656 C ARG A 42 30.243 30.212 21.841 1.00 50.51 C ATOM 657 O ARG A 42 30.343 31.357 21.243 1.00 49.49 O ATOM 658 CB ARG A 42 30.928 30.178 24.265 1.00 49.82 C ATOM 659 CG ARG A 42 31.916 29.715 25.324 1.00 49.82 C ATOM 660 CD ARG A 42 31.925 28.247 25.552 1.00 50.20 C ATOM 661 NE ARG A 42 32.807 27.809 26.622 1.00 49.30 N ATOM 662 CZ ARG A 42 34.113 27.515 26.465 1.00 50.64 C ATOM 663 NH1 ARG A 42 34.683 27.574 25.283 1.00 49.20 N ATOM 664 NH2 ARG A 42 34.800 27.142 27.530 1.00 49.20 N ATOM 0 H ARG A 42 32.427 31.565 22.151 1.00 49.53 H new ATOM 0 HA ARG A 42 31.518 28.791 22.828 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.792 31.255 24.362 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.961 29.715 24.463 1.00 49.82 H new ATOM 0 HG2 ARG A 42 32.918 30.032 25.033 1.00 49.82 H new ATOM 0 HG3 ARG A 42 31.684 30.215 26.264 1.00 49.82 H new ATOM 0 HD2 ARG A 42 30.910 27.921 25.778 1.00 50.20 H new ATOM 0 HD3 ARG A 42 32.221 27.750 24.628 1.00 50.20 H new ATOM 0 HE ARG A 42 32.409 27.718 27.557 1.00 49.30 H new ATOM 0 HH11 ARG A 42 34.136 27.846 24.466 1.00 49.20 H new ATOM 0 HH12 ARG A 42 35.673 27.348 25.182 1.00 49.20 H new ATOM 0 HH21 ARG A 42 34.340 27.083 28.439 1.00 49.20 H new ATOM 0 HH22 ARG A 42 35.790 26.913 27.444 1.00 49.20 H new ATOM 678 N LEU A 43 29.295 29.317 21.570 1.00 49.53 N ATOM 679 CA LEU A 43 28.241 29.600 20.563 1.00 50.07 C ATOM 680 C LEU A 43 26.893 29.292 21.206 1.00 50.51 C ATOM 681 O LEU A 43 26.733 28.201 21.769 1.00 49.49 O ATOM 682 CB LEU A 43 28.454 28.754 19.301 1.00 49.82 C ATOM 683 CG LEU A 43 29.783 28.992 18.572 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.910 28.037 17.393 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.855 30.438 18.106 1.00 49.73 C ATOM 0 H LEU A 43 29.223 28.403 22.017 1.00 49.53 H new ATOM 0 HA LEU A 43 28.280 30.645 20.256 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.391 27.701 19.574 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.637 28.953 18.608 1.00 49.82 H new ATOM 0 HG LEU A 43 30.612 28.802 19.254 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.856 28.214 16.882 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.878 27.009 17.753 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.086 28.204 16.699 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.799 30.607 17.588 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.027 30.643 17.427 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.790 31.102 18.968 1.00 49.73 H new ATOM 697 N ILE A 44 26.004 30.280 21.188 1.00 49.53 N ATOM 698 CA ILE A 44 24.686 30.174 21.803 1.00 50.07 C ATOM 699 C ILE A 44 23.565 30.633 20.879 1.00 50.51 C ATOM 700 O ILE A 44 23.618 31.676 20.261 1.00 49.49 O ATOM 701 CB ILE A 44 24.613 30.982 23.112 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.525 30.362 24.174 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.179 31.054 23.614 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.877 31.304 25.302 1.00 49.73 C ATOM 0 H ILE A 44 26.179 31.181 20.744 1.00 49.53 H new ATOM 0 HA ILE A 44 24.544 29.114 22.013 1.00 50.07 H new ATOM 0 HB ILE A 44 24.958 31.997 22.912 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.037 29.480 24.589 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.444 30.022 23.697 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.146 31.629 24.540 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.555 31.539 22.864 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.807 30.046 23.799 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.525 30.793 26.014 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.395 32.175 24.900 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.965 31.624 25.806 1.00 49.73 H new ATOM 716 N PHE A 45 22.495 29.794 20.829 1.00 49.53 N ATOM 717 CA PHE A 45 21.304 30.112 20.025 1.00 50.07 C ATOM 718 C PHE A 45 20.080 29.606 20.810 1.00 50.51 C ATOM 719 O PHE A 45 19.929 28.420 21.103 1.00 49.49 O ATOM 720 CB PHE A 45 21.379 29.453 18.647 1.00 49.82 C ATOM 721 CG PHE A 45 20.140 29.638 17.819 1.00 50.00 C ATOM 722 CD1 PHE A 45 19.066 28.770 17.946 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.044 30.682 16.911 1.00 49.88 C ATOM 724 CE1 PHE A 45 17.926 28.938 17.185 1.00 49.88 C ATOM 725 CE2 PHE A 45 18.904 30.854 16.148 1.00 49.88 C ATOM 726 CZ PHE A 45 17.845 29.982 16.285 1.00 49.88 C ATOM 0 H PHE A 45 22.441 28.908 21.331 1.00 49.53 H new ATOM 0 HA PHE A 45 21.234 31.186 19.854 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.232 29.862 18.105 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.564 28.386 18.774 1.00 49.82 H new ATOM 0 HD1 PHE A 45 19.122 27.952 18.649 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.870 31.369 16.799 1.00 49.88 H new ATOM 0 HE1 PHE A 45 17.098 28.253 17.294 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.843 31.671 15.445 1.00 49.88 H new ATOM 0 HZ PHE A 45 16.954 30.115 15.690 1.00 49.88 H new ATOM 736 N ALA A 46 19.342 30.589 21.267 1.00 49.53 N ATOM 737 CA ALA A 46 18.080 30.379 22.005 1.00 50.07 C ATOM 738 C ALA A 46 18.226 29.774 23.393 1.00 50.51 C ATOM 739 O ALA A 46 17.371 29.011 23.866 1.00 49.49 O ATOM 740 CB ALA A 46 17.151 29.541 21.186 1.00 49.73 C ATOM 0 H ALA A 46 19.586 31.572 21.146 1.00 49.53 H new ATOM 0 HA ALA A 46 17.677 31.378 22.170 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.221 29.388 21.733 1.00 49.73 H new ATOM 0 HB2 ALA A 46 16.939 30.047 20.244 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.615 28.576 20.982 1.00 49.73 H new ATOM 746 N GLY A 47 19.335 30.084 23.999 1.00 49.53 N ATOM 747 CA GLY A 47 19.783 29.679 25.298 1.00 49.98 C ATOM 748 C GLY A 47 20.571 28.397 25.374 1.00 50.51 C ATOM 749 O GLY A 47 21.150 28.089 26.439 1.00 49.49 O ATOM 0 H GLY A 47 20.019 30.691 23.546 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.396 30.480 25.711 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.910 29.580 25.943 1.00 49.98 H new ATOM 753 N LYS A 48 20.666 27.670 24.294 1.00 49.53 N ATOM 754 CA LYS A 48 21.451 26.430 24.244 1.00 50.07 C ATOM 755 C LYS A 48 22.957 26.687 24.058 1.00 50.51 C ATOM 756 O LYS A 48 23.325 27.264 23.045 1.00 49.49 O ATOM 757 CB LYS A 48 20.937 25.523 23.123 1.00 49.82 C ATOM 758 CG LYS A 48 19.497 25.060 23.299 1.00 49.82 C ATOM 759 CD LYS A 48 19.294 24.386 24.648 1.00 49.82 C ATOM 760 CE LYS A 48 20.144 23.130 24.774 1.00 50.21 C ATOM 761 NZ LYS A 48 19.875 22.401 26.043 1.00 49.70 N ATOM 0 H LYS A 48 20.207 27.906 23.414 1.00 49.53 H new ATOM 0 HA LYS A 48 21.324 25.937 25.208 1.00 50.07 H new ATOM 0 HB2 LYS A 48 21.022 26.054 22.175 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.582 24.647 23.056 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.825 25.914 23.212 1.00 49.82 H new ATOM 0 HG3 LYS A 48 19.236 24.366 22.500 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.550 25.082 25.447 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.242 24.130 24.774 1.00 49.82 H new ATOM 0 HE2 LYS A 48 19.946 22.471 23.928 1.00 50.21 H new ATOM 0 HE3 LYS A 48 21.199 23.400 24.727 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 20.474 21.552 26.089 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 20.088 23.020 26.851 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 18.874 22.121 26.077 1.00 49.70 H new ATOM 775 N GLN A 49 23.767 26.262 24.990 1.00 49.53 N ATOM 776 CA GLN A 49 25.242 26.374 24.810 1.00 50.07 C ATOM 777 C GLN A 49 25.800 25.237 23.958 1.00 50.51 C ATOM 778 O GLN A 49 25.767 24.067 24.422 1.00 49.49 O ATOM 779 CB GLN A 49 25.946 26.391 26.169 1.00 49.82 C ATOM 780 CG GLN A 49 25.765 27.683 26.948 1.00 49.82 C ATOM 781 CD GLN A 49 26.721 27.790 28.121 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.914 28.051 27.945 1.00 49.45 O ATOM 783 NE2 GLN A 49 26.202 27.584 29.326 1.00 49.38 N ATOM 0 H GLN A 49 23.469 25.841 25.870 1.00 49.53 H new ATOM 0 HA GLN A 49 25.432 27.312 24.288 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.572 25.562 26.770 1.00 49.82 H new ATOM 0 HB3 GLN A 49 27.011 26.218 26.016 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.917 28.531 26.280 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.739 27.744 27.312 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.209 27.371 29.424 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.796 27.639 30.153 1.00 49.38 H new ATOM 792 N LEU A 50 26.163 25.512 22.729 1.00 49.53 N ATOM 793 CA LEU A 50 26.631 24.475 21.794 1.00 50.07 C ATOM 794 C LEU A 50 27.780 23.633 22.320 1.00 50.51 C ATOM 795 O LEU A 50 28.578 24.167 23.065 1.00 49.49 O ATOM 796 CB LEU A 50 27.030 25.122 20.461 1.00 49.82 C ATOM 797 CG LEU A 50 25.927 25.156 19.396 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.585 25.473 20.042 1.00 49.73 C ATOM 799 CD2 LEU A 50 26.274 26.192 18.337 1.00 49.73 C ATOM 0 H LEU A 50 26.149 26.452 22.334 1.00 49.53 H new ATOM 0 HA LEU A 50 25.794 23.790 21.659 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.357 26.143 20.655 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.887 24.584 20.056 1.00 49.82 H new ATOM 0 HG LEU A 50 25.853 24.179 18.919 1.00 49.91 H new ATOM 0 HD11 LEU A 50 23.809 25.495 19.277 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.346 24.707 20.779 1.00 49.73 H new ATOM 0 HD13 LEU A 50 24.638 26.445 20.533 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.490 26.216 17.580 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.359 27.174 18.803 1.00 49.73 H new ATOM 0 HD23 LEU A 50 27.222 25.930 17.868 1.00 49.73 H new ATOM 811 N GLU A 51 27.915 22.402 21.824 1.00 49.53 N ATOM 812 CA GLU A 51 28.977 21.503 22.322 1.00 50.07 C ATOM 813 C GLU A 51 29.897 20.895 21.299 1.00 50.51 C ATOM 814 O GLU A 51 29.416 20.398 20.283 1.00 49.49 O ATOM 815 CB GLU A 51 28.348 20.381 23.153 1.00 49.82 C ATOM 816 CG GLU A 51 29.353 19.433 23.791 1.00 49.72 C ATOM 817 CD GLU A 51 28.665 18.389 24.626 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.794 17.727 24.116 1.00 49.24 O ATOM 819 OE2 GLU A 51 29.086 18.175 25.738 1.00 49.24 O ATOM 0 H GLU A 51 27.322 22.004 21.095 1.00 49.53 H new ATOM 0 HA GLU A 51 29.619 22.159 22.910 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.737 20.826 23.938 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.678 19.805 22.515 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.944 18.949 23.013 1.00 49.72 H new ATOM 0 HG3 GLU A 51 30.047 19.999 24.412 1.00 49.72 H new ATOM 826 N ASP A 52 31.192 20.924 21.492 1.00 49.53 N ATOM 827 CA ASP A 52 32.212 20.457 20.559 1.00 50.07 C ATOM 828 C ASP A 52 32.154 19.022 20.065 1.00 50.51 C ATOM 829 O ASP A 52 33.047 18.624 19.264 1.00 49.49 O ATOM 830 CB ASP A 52 33.597 20.709 21.160 1.00 49.72 C ATOM 831 CG ASP A 52 34.023 22.171 21.170 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.507 22.925 20.380 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.738 22.554 22.065 1.00 49.24 O ATOM 0 H ASP A 52 31.596 21.294 22.352 1.00 49.53 H new ATOM 0 HA ASP A 52 32.000 21.040 19.663 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.609 20.333 22.183 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.333 20.133 20.599 1.00 49.72 H new ATOM 838 N GLY A 53 31.240 18.232 20.581 1.00 49.53 N ATOM 839 CA GLY A 53 31.091 16.803 20.251 1.00 49.98 C ATOM 840 C GLY A 53 29.774 16.692 19.558 1.00 50.51 C ATOM 841 O GLY A 53 29.298 15.573 19.260 1.00 49.49 O ATOM 0 H GLY A 53 30.554 18.559 21.261 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.903 16.461 19.609 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.115 16.187 21.150 1.00 49.98 H new ATOM 845 N ARG A 54 29.129 17.801 19.212 1.00 49.53 N ATOM 846 CA ARG A 54 27.860 17.772 18.457 1.00 50.07 C ATOM 847 C ARG A 54 28.132 17.981 16.975 1.00 50.51 C ATOM 848 O ARG A 54 29.128 18.634 16.598 1.00 49.49 O ATOM 849 CB ARG A 54 26.846 18.772 18.991 1.00 49.82 C ATOM 850 CG ARG A 54 26.454 18.572 20.447 1.00 49.82 C ATOM 851 CD ARG A 54 25.488 17.467 20.674 1.00 50.20 C ATOM 852 NE ARG A 54 25.239 17.163 22.074 1.00 49.30 N ATOM 853 CZ ARG A 54 24.354 17.816 22.853 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.661 18.831 22.386 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.218 17.424 24.107 1.00 49.20 N ATOM 0 H ARG A 54 29.458 18.740 19.439 1.00 49.53 H new ATOM 0 HA ARG A 54 27.411 16.788 18.592 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.252 19.777 18.874 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.947 18.718 18.377 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.354 18.377 21.030 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.023 19.499 20.826 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.542 17.724 20.197 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.860 16.569 20.181 1.00 50.20 H new ATOM 0 HE ARG A 54 25.771 16.402 22.496 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.789 19.135 21.421 1.00 49.20 H new ATOM 0 HH12 ARG A 54 22.995 19.314 22.989 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.775 16.646 24.462 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.556 17.899 24.721 1.00 49.20 H new ATOM 869 N THR A 55 27.227 17.529 16.143 1.00 49.53 N ATOM 870 CA THR A 55 27.293 17.697 14.674 1.00 50.07 C ATOM 871 C THR A 55 26.188 18.706 14.279 1.00 50.51 C ATOM 872 O THR A 55 25.098 18.681 14.840 1.00 49.49 O ATOM 873 CB THR A 55 27.077 16.368 13.927 1.00 50.14 C ATOM 874 OG1 THR A 55 25.846 15.771 14.356 1.00 49.34 O ATOM 875 CG2 THR A 55 28.225 15.408 14.203 1.00 49.73 C ATOM 0 H THR A 55 26.399 17.021 16.453 1.00 49.53 H new ATOM 0 HA THR A 55 28.284 18.055 14.396 1.00 50.07 H new ATOM 0 HB THR A 55 27.037 16.572 12.857 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.186 15.828 13.634 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.055 14.474 13.667 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.161 15.854 13.867 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.282 15.207 15.273 1.00 49.73 H new ATOM 883 N LEU A 56 26.490 19.517 13.286 1.00 49.53 N ATOM 884 CA LEU A 56 25.528 20.495 12.747 1.00 50.07 C ATOM 885 C LEU A 56 24.150 19.844 12.665 1.00 50.51 C ATOM 886 O LEU A 56 23.180 20.538 12.807 1.00 49.49 O ATOM 887 CB LEU A 56 25.980 20.989 11.367 1.00 49.82 C ATOM 888 CG LEU A 56 26.722 22.332 11.366 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.029 22.207 12.138 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.983 22.768 9.932 1.00 49.73 C ATOM 0 H LEU A 56 27.399 19.528 12.823 1.00 49.53 H new ATOM 0 HA LEU A 56 25.478 21.360 13.409 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.628 20.234 10.922 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.104 21.075 10.725 1.00 49.82 H new ATOM 0 HG LEU A 56 26.107 23.087 11.856 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.548 23.165 12.132 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.817 21.916 13.167 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.658 21.450 11.669 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.510 23.722 9.932 1.00 49.73 H new ATOM 0 HD22 LEU A 56 27.592 22.017 9.428 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.034 22.878 9.407 1.00 49.73 H new ATOM 902 N SER A 57 24.107 18.501 12.552 1.00 49.53 N ATOM 903 CA SER A 57 22.767 17.868 12.459 1.00 50.07 C ATOM 904 C SER A 57 21.972 17.817 13.745 1.00 50.51 C ATOM 905 O SER A 57 20.704 17.829 13.714 1.00 49.49 O ATOM 906 CB SER A 57 22.912 16.466 11.900 1.00 50.05 C ATOM 907 OG SER A 57 23.613 15.621 12.771 1.00 49.34 O ATOM 0 H SER A 57 24.910 17.873 12.524 1.00 49.53 H new ATOM 0 HA SER A 57 22.192 18.515 11.797 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.923 16.049 11.708 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.431 16.510 10.942 1.00 50.05 H new ATOM 0 HG SER A 57 23.683 14.728 12.374 1.00 49.34 H new ATOM 913 N ASP A 58 22.656 17.793 14.875 1.00 49.53 N ATOM 914 CA ASP A 58 21.975 17.747 16.195 1.00 50.07 C ATOM 915 C ASP A 58 21.192 19.042 16.438 1.00 50.51 C ATOM 916 O ASP A 58 20.320 19.136 17.307 1.00 49.49 O ATOM 917 CB ASP A 58 22.990 17.523 17.319 1.00 49.72 C ATOM 918 CG ASP A 58 23.427 16.075 17.493 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.933 15.236 16.777 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.358 15.841 18.226 1.00 49.24 O ATOM 0 H ASP A 58 23.675 17.804 14.925 1.00 49.53 H new ATOM 0 HA ASP A 58 21.276 16.911 16.190 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.871 18.135 17.124 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.559 17.875 18.256 1.00 49.72 H new ATOM 925 N TYR A 59 21.655 20.091 15.821 1.00 49.53 N ATOM 926 CA TYR A 59 21.054 21.421 15.900 1.00 50.07 C ATOM 927 C TYR A 59 20.365 21.791 14.606 1.00 50.51 C ATOM 928 O TYR A 59 19.893 22.941 14.507 1.00 49.49 O ATOM 929 CB TYR A 59 22.116 22.467 16.245 1.00 49.82 C ATOM 930 CG TYR A 59 22.706 22.308 17.629 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.021 22.756 18.749 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.945 21.713 17.812 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.555 22.613 20.016 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.488 21.564 19.073 1.00 49.88 C ATOM 935 CZ TYR A 59 23.789 22.017 20.174 1.00 50.11 C ATOM 936 OH TYR A 59 24.325 21.873 21.433 1.00 49.46 O ATOM 0 H TYR A 59 22.484 20.059 15.228 1.00 49.53 H new ATOM 0 HA TYR A 59 20.304 21.400 16.690 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.919 22.412 15.510 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.675 23.460 16.161 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.055 23.224 18.629 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.495 21.360 16.953 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.009 22.966 20.878 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.453 21.096 19.197 1.00 49.88 H new ATOM 0 HH TYR A 59 25.198 21.433 21.368 1.00 49.46 H new ATOM 946 N ASN A 60 20.247 20.928 13.619 1.00 49.53 N ATOM 947 CA ASN A 60 19.564 21.332 12.372 1.00 50.07 C ATOM 948 C ASN A 60 19.923 22.741 11.915 1.00 50.51 C ATOM 949 O ASN A 60 19.143 23.409 11.209 1.00 49.49 O ATOM 950 CB ASN A 60 18.058 21.205 12.510 1.00 49.82 C ATOM 951 CG ASN A 60 17.576 19.784 12.604 1.00 50.55 C ATOM 952 OD1 ASN A 60 18.060 18.895 11.894 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.572 19.581 13.418 1.00 49.38 N ATOM 0 H ASN A 60 20.596 19.970 13.635 1.00 49.53 H new ATOM 0 HA ASN A 60 19.921 20.646 11.604 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.737 21.748 13.399 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.582 21.685 11.655 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.152 18.654 13.488 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.210 20.349 13.983 1.00 49.38 H new ATOM 960 N ILE A 61 21.121 23.184 12.236 1.00 49.53 N ATOM 961 CA ILE A 61 21.611 24.513 11.761 1.00 50.07 C ATOM 962 C ILE A 61 21.373 24.479 10.254 1.00 50.51 C ATOM 963 O ILE A 61 22.133 23.701 9.605 1.00 49.49 O ATOM 964 CB ILE A 61 23.104 24.735 12.062 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.350 24.737 13.573 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.584 26.037 11.439 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.798 24.530 13.956 1.00 49.73 C ATOM 0 H ILE A 61 21.785 22.670 12.815 1.00 49.53 H new ATOM 0 HA ILE A 61 21.094 25.329 12.265 1.00 50.07 H new ATOM 0 HB ILE A 61 23.672 23.915 11.623 1.00 49.91 H new ATOM 0 HG12 ILE A 61 23.007 25.685 13.986 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.747 23.953 14.031 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.642 26.179 11.661 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.442 25.997 10.359 1.00 49.73 H new ATOM 0 HG23 ILE A 61 23.012 26.869 11.850 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.893 24.544 15.042 1.00 49.73 H new ATOM 0 HD12 ILE A 61 25.142 23.569 13.574 1.00 49.73 H new ATOM 0 HD13 ILE A 61 25.405 25.328 13.529 1.00 49.73 H new ATOM 979 N GLN A 62 20.405 25.197 9.758 1.00 49.53 N ATOM 980 CA GLN A 62 20.032 25.193 8.312 1.00 50.07 C ATOM 981 C GLN A 62 20.450 26.476 7.588 1.00 50.51 C ATOM 982 O GLN A 62 21.227 27.272 8.143 1.00 49.49 O ATOM 983 CB GLN A 62 18.523 24.989 8.155 1.00 49.82 C ATOM 984 CG GLN A 62 17.695 26.232 8.433 1.00 49.82 C ATOM 985 CD GLN A 62 16.204 25.960 8.366 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.775 24.841 8.070 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.404 26.984 8.638 1.00 49.38 N ATOM 0 H GLN A 62 19.828 25.818 10.325 1.00 49.53 H new ATOM 0 HA GLN A 62 20.573 24.366 7.853 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.317 24.648 7.140 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.203 24.194 8.829 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.947 26.620 9.420 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.953 27.006 7.711 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.802 27.892 8.878 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.392 26.863 8.607 1.00 49.38 H new ATOM 996 N LYS A 63 19.974 26.675 6.360 1.00 49.53 N ATOM 997 CA LYS A 63 20.349 27.815 5.553 1.00 50.07 C ATOM 998 C LYS A 63 19.730 29.136 6.003 1.00 50.51 C ATOM 999 O LYS A 63 18.573 29.238 6.379 1.00 49.49 O ATOM 1000 CB LYS A 63 19.994 27.558 4.088 1.00 49.82 C ATOM 1001 CG LYS A 63 20.198 28.757 3.171 1.00 49.82 C ATOM 1002 CD LYS A 63 19.968 28.386 1.714 1.00 49.82 C ATOM 1003 CE LYS A 63 18.487 28.392 1.368 1.00 50.21 C ATOM 1004 NZ LYS A 63 18.251 28.113 -0.075 1.00 49.70 N ATOM 0 H LYS A 63 19.316 26.043 5.903 1.00 49.53 H new ATOM 0 HA LYS A 63 21.426 27.924 5.679 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.598 26.728 3.721 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.952 27.244 4.029 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.514 29.556 3.457 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.210 29.144 3.294 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.497 29.089 1.070 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.385 27.398 1.518 1.00 49.82 H new ATOM 0 HE2 LYS A 63 17.971 27.645 1.971 1.00 50.21 H new ATOM 0 HE3 LYS A 63 18.058 29.361 1.625 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 17.229 28.126 -0.269 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.722 28.840 -0.651 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 18.637 27.178 -0.315 1.00 49.70 H new ATOM 1018 N GLU A 64 20.615 30.144 6.002 1.00 49.53 N ATOM 1019 CA GLU A 64 20.324 31.505 6.368 1.00 50.07 C ATOM 1020 C GLU A 64 20.088 31.789 7.822 1.00 50.51 C ATOM 1021 O GLU A 64 19.798 32.937 8.242 1.00 49.49 O ATOM 1022 CB GLU A 64 19.121 32.004 5.564 1.00 49.82 C ATOM 1023 CG GLU A 64 19.424 32.315 4.105 1.00 49.72 C ATOM 1024 CD GLU A 64 18.204 32.825 3.390 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.784 33.920 3.678 1.00 49.24 O ATOM 1026 OE2 GLU A 64 17.758 32.169 2.478 1.00 49.24 O ATOM 0 H GLU A 64 21.589 30.009 5.732 1.00 49.53 H new ATOM 0 HA GLU A 64 21.244 32.039 6.133 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.334 31.251 5.606 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.729 32.903 6.040 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.219 33.058 4.047 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.790 31.417 3.608 1.00 49.72 H new ATOM 1033 N SER A 65 20.356 30.780 8.635 1.00 49.53 N ATOM 1034 CA SER A 65 20.300 30.879 10.098 1.00 50.07 C ATOM 1035 C SER A 65 21.570 31.674 10.485 1.00 50.51 C ATOM 1036 O SER A 65 22.612 31.518 9.857 1.00 49.49 O ATOM 1037 CB SER A 65 20.283 29.506 10.741 1.00 50.05 C ATOM 1038 OG SER A 65 20.340 29.578 12.139 1.00 49.34 O ATOM 0 H SER A 65 20.623 29.854 8.300 1.00 49.53 H new ATOM 0 HA SER A 65 19.391 31.371 10.444 1.00 50.07 H new ATOM 0 HB2 SER A 65 19.378 28.977 10.442 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.128 28.924 10.374 1.00 50.05 H new ATOM 0 HG SER A 65 20.325 28.673 12.514 1.00 49.34 H new ATOM 1044 N THR A 66 21.458 32.528 11.467 1.00 49.53 N ATOM 1045 CA THR A 66 22.599 33.284 11.995 1.00 50.07 C ATOM 1046 C THR A 66 22.979 32.697 13.354 1.00 50.51 C ATOM 1047 O THR A 66 22.059 32.404 14.151 1.00 49.49 O ATOM 1048 CB THR A 66 22.275 34.782 12.152 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.125 34.938 12.994 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.995 35.412 10.796 1.00 49.73 C ATOM 0 H THR A 66 20.575 32.731 11.936 1.00 49.53 H new ATOM 0 HA THR A 66 23.426 33.202 11.289 1.00 50.07 H new ATOM 0 HB THR A 66 23.134 35.280 12.602 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.079 34.191 13.626 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.768 36.470 10.926 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.872 35.305 10.157 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.144 34.913 10.332 1.00 49.73 H new ATOM 1058 N LEU A 67 24.274 32.466 13.591 1.00 49.53 N ATOM 1059 CA LEU A 67 24.715 32.005 14.913 1.00 50.07 C ATOM 1060 C LEU A 67 25.239 33.211 15.721 1.00 50.51 C ATOM 1061 O LEU A 67 25.523 34.209 15.038 1.00 49.49 O ATOM 1062 CB LEU A 67 25.801 30.931 14.774 1.00 49.82 C ATOM 1063 CG LEU A 67 25.368 29.656 14.039 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.553 28.712 13.890 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.238 28.986 14.806 1.00 49.73 C ATOM 0 H LEU A 67 25.019 32.586 12.905 1.00 49.53 H new ATOM 0 HA LEU A 67 23.872 31.559 15.441 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.652 31.363 14.248 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.148 30.657 15.770 1.00 49.82 H new ATOM 0 HG LEU A 67 25.010 29.914 13.042 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.236 27.810 13.367 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.341 29.204 13.320 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.932 28.445 14.877 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.931 28.080 14.283 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.581 28.728 15.808 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.391 29.669 14.877 1.00 49.73 H new ATOM 1077 N HIS A 68 25.340 33.083 16.995 1.00 49.53 N ATOM 1078 CA HIS A 68 25.884 34.204 17.799 1.00 50.07 C ATOM 1079 C HIS A 68 27.194 33.812 18.477 1.00 50.51 C ATOM 1080 O HIS A 68 27.234 32.866 19.293 1.00 49.49 O ATOM 1081 CB HIS A 68 24.866 34.660 18.850 1.00 49.92 C ATOM 1082 CG HIS A 68 23.600 35.204 18.265 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.385 36.554 18.081 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.481 34.581 17.825 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.188 36.737 17.551 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.620 35.557 17.386 1.00 49.64 N ATOM 0 H HIS A 68 25.072 32.253 17.524 1.00 49.53 H new ATOM 0 HA HIS A 68 26.084 35.032 17.119 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.624 33.818 19.498 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.323 35.424 19.478 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.300 33.516 17.820 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.749 37.690 17.296 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.692 35.396 16.996 1.00 49.64 H new ATOM 1094 N LEU A 69 28.253 34.554 18.197 1.00 49.53 N ATOM 1095 CA LEU A 69 29.547 34.331 18.833 1.00 50.07 C ATOM 1096 C LEU A 69 29.693 34.895 20.214 1.00 50.51 C ATOM 1097 O LEU A 69 29.106 36.007 20.467 1.00 49.49 O ATOM 1098 CB LEU A 69 30.662 34.881 17.935 1.00 49.82 C ATOM 1099 CG LEU A 69 32.082 34.750 18.502 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.506 33.288 18.514 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.042 35.583 17.666 1.00 49.73 C ATOM 0 H LEU A 69 28.244 35.324 17.528 1.00 49.53 H new ATOM 0 HA LEU A 69 29.623 33.251 18.955 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.622 34.365 16.976 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.462 35.934 17.739 1.00 49.82 H new ATOM 0 HG LEU A 69 32.100 35.119 19.528 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.515 33.205 18.918 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.818 32.715 19.135 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.489 32.896 17.497 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.050 35.490 18.069 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.029 35.228 16.635 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.735 36.629 17.694 1.00 49.73 H new ATOM 1113 N VAL A 70 30.324 34.219 21.117 1.00 49.53 N ATOM 1114 CA VAL A 70 30.588 34.786 22.471 1.00 50.07 C ATOM 1115 C VAL A 70 32.081 34.786 22.830 1.00 50.51 C ATOM 1116 O VAL A 70 32.785 33.804 22.505 1.00 49.49 O ATOM 1117 CB VAL A 70 29.814 34.019 23.559 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.145 34.572 24.938 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.317 34.093 23.302 1.00 49.73 C ATOM 0 H VAL A 70 30.680 33.273 20.978 1.00 49.53 H new ATOM 0 HA VAL A 70 30.244 35.819 22.433 1.00 50.07 H new ATOM 0 HB VAL A 70 30.118 32.973 23.524 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.589 34.018 25.695 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.214 34.469 25.125 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.869 35.626 24.983 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.787 33.545 24.081 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.998 35.135 23.309 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.092 33.652 22.331 1.00 49.73 H new ATOM 1129 N LEU A 71 32.557 35.844 23.444 1.00 49.53 N ATOM 1130 CA LEU A 71 33.977 35.912 23.857 1.00 50.07 C ATOM 1131 C LEU A 71 34.183 35.699 25.333 1.00 50.51 C ATOM 1132 O LEU A 71 33.901 36.590 26.159 1.00 49.49 O ATOM 1133 CB LEU A 71 34.578 37.258 23.434 1.00 49.82 C ATOM 1134 CG LEU A 71 36.062 37.446 23.774 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.923 36.605 22.842 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.427 38.919 23.663 1.00 49.73 C ATOM 0 H LEU A 71 32.006 36.670 23.675 1.00 49.53 H new ATOM 0 HA LEU A 71 34.488 35.093 23.352 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.451 37.372 22.357 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.009 38.057 23.909 1.00 49.82 H new ATOM 0 HG LEU A 71 36.245 37.116 24.797 1.00 49.91 H new ATOM 0 HD11 LEU A 71 37.975 36.746 23.092 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.661 35.553 22.955 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.751 36.913 21.811 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.482 39.052 23.905 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.242 39.264 22.646 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.820 39.498 24.359 1.00 49.73 H new ATOM 1148 N ARG A 72 34.706 34.589 25.701 1.00 49.53 N ATOM 1149 CA ARG A 72 35.023 34.263 27.108 1.00 50.07 C ATOM 1150 C ARG A 72 36.494 34.404 27.494 1.00 50.51 C ATOM 1151 O ARG A 72 37.118 33.295 27.517 1.00 49.49 O ATOM 1152 CB ARG A 72 34.499 32.887 27.491 1.00 49.82 C ATOM 1153 CG ARG A 72 32.988 32.732 27.408 1.00 49.82 C ATOM 1154 CD ARG A 72 32.224 33.842 28.034 1.00 50.20 C ATOM 1155 NE ARG A 72 32.387 33.948 29.475 1.00 49.30 N ATOM 1156 CZ ARG A 72 31.971 34.994 30.216 1.00 50.64 C ATOM 1157 NH1 ARG A 72 31.403 36.038 29.656 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.171 34.952 31.522 1.00 49.20 N ATOM 0 H ARG A 72 34.944 33.843 25.047 1.00 49.53 H new ATOM 0 HA ARG A 72 34.501 35.027 27.685 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.962 32.144 26.842 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.817 32.663 28.509 1.00 49.82 H new ATOM 0 HG2 ARG A 72 32.700 32.654 26.360 1.00 49.82 H new ATOM 0 HG3 ARG A 72 32.704 31.795 27.887 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.532 34.782 27.576 1.00 50.20 H new ATOM 0 HD3 ARG A 72 31.166 33.710 27.809 1.00 50.20 H new ATOM 0 HE ARG A 72 32.848 33.177 29.959 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.271 36.066 28.645 1.00 49.20 H new ATOM 0 HH12 ARG A 72 31.094 36.821 30.232 1.00 49.20 H new ATOM 0 HH21 ARG A 72 32.629 34.143 31.942 1.00 49.20 H new ATOM 0 HH22 ARG A 72 31.867 35.728 32.110 1.00 49.20 H new ATOM 1172 N LEU A 73 37.000 35.562 27.759 1.00 49.53 N ATOM 1173 CA LEU A 73 38.435 35.681 28.119 1.00 50.07 C ATOM 1174 C LEU A 73 38.933 34.896 29.324 1.00 50.51 C ATOM 1175 O LEU A 73 38.185 34.644 30.281 1.00 49.49 O ATOM 1176 CB LEU A 73 38.784 37.163 28.308 1.00 49.82 C ATOM 1177 CG LEU A 73 38.595 38.042 27.066 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.885 39.498 27.407 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.514 37.556 25.954 1.00 49.73 C ATOM 0 H LEU A 73 36.482 36.441 27.743 1.00 49.53 H new ATOM 0 HA LEU A 73 38.951 35.218 27.278 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.170 37.564 29.114 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.822 37.237 28.631 1.00 49.82 H new ATOM 0 HG LEU A 73 37.562 37.971 26.724 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.748 40.114 26.518 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.202 39.832 28.189 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.913 39.592 27.758 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.379 38.181 25.071 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.550 37.616 26.286 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.271 36.522 25.707 1.00 49.73 H new ATOM 1191 N ARG A 74 40.192 34.500 29.219 1.00 49.53 N ATOM 1192 CA ARG A 74 40.860 33.720 30.273 1.00 50.07 C ATOM 1193 C ARG A 74 41.681 34.535 31.270 1.00 50.51 C ATOM 1194 O ARG A 74 42.898 34.323 31.415 1.00 49.49 O ATOM 1195 CB ARG A 74 41.697 32.594 29.685 1.00 49.82 C ATOM 1196 CG ARG A 74 42.380 31.702 30.710 1.00 49.82 C ATOM 1197 CD ARG A 74 43.045 30.505 30.134 1.00 50.20 C ATOM 1198 NE ARG A 74 44.143 30.803 29.229 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.404 31.075 29.619 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.722 31.125 30.894 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.308 31.314 28.686 1.00 49.20 N ATOM 0 H ARG A 74 40.783 34.703 28.413 1.00 49.53 H new ATOM 0 HA ARG A 74 40.039 33.301 30.855 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.057 31.976 29.056 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.459 33.027 29.037 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.122 32.291 31.249 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.640 31.375 31.440 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.420 29.886 30.949 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.301 29.913 29.600 1.00 50.20 H new ATOM 0 HE ARG A 74 43.945 30.806 28.228 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.010 30.957 31.604 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.681 31.332 31.173 1.00 49.20 H new ATOM 0 HH21 ARG A 74 46.043 31.290 27.701 1.00 49.20 H new ATOM 0 HH22 ARG A 74 47.271 31.523 28.950 1.00 49.20 H new ATOM 1215 N GLY A 75 41.010 35.508 31.874 1.00 49.53 N ATOM 1216 CA GLY A 75 41.608 36.390 32.868 1.00 49.98 C ATOM 1217 C GLY A 75 40.641 37.553 32.978 1.00 50.51 C ATOM 1218 O GLY A 75 39.586 37.601 32.323 1.00 49.49 O ATOM 0 H GLY A 75 40.028 35.709 31.686 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.730 35.884 33.826 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.597 36.725 32.557 1.00 49.98 H new ATOM 1222 N GLY A 76 41.102 38.560 33.696 1.00 49.53 N ATOM 1223 CA GLY A 76 40.373 39.813 33.944 1.00 49.98 C ATOM 1224 C GLY A 76 40.031 39.992 35.432 1.00 50.51 C ATOM 1225 O GLY A 76 38.933 40.525 35.687 1.00 49.49 O ATOM 0 H GLY A 76 42.020 38.539 34.140 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.975 40.656 33.606 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.455 39.821 33.357 1.00 49.98 H new TER 1229 GLY A 76