USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 23:sc= 1.52 USER MOD Set 1.2: A 57 SER OG : rot -64:sc= 0.447 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.229 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0484 K(o=0.18,f=-0.59!) USER MOD Set 3.1: A 7 THR OG1 : rot -163:sc= 0.647 USER MOD Set 3.2: A 9 THR OG1 : rot -22:sc= 0.385 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0087 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.404 (180deg=-0.453) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 2.03 USER MOD Single : A 20 SER OG : rot 4:sc= 0.971 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.00262 (180deg=0.00106) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc=-0.00433 (180deg=-0.374) USER MOD Single : A 31 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.2!) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= 0.0199 (180deg=-0.24) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.323 F(o=-1.1,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) 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=-0.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.176 USER MOD Single : A 60 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 25:sc= 0.174 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.513 30.941 2.168 1.00 0.00 N ATOM 2 CA MET A 1 32.309 32.165 2.992 1.00 0.00 C ATOM 3 C MET A 1 33.159 32.067 4.253 1.00 0.00 C ATOM 4 O MET A 1 33.366 30.980 4.793 1.00 0.00 O ATOM 5 CB MET A 1 30.827 32.297 3.365 1.00 0.00 C ATOM 6 CG MET A 1 30.277 30.938 3.809 1.00 0.00 C ATOM 7 SD MET A 1 28.508 31.090 4.169 1.00 0.00 S ATOM 8 CE MET A 1 28.653 31.553 5.911 1.00 0.00 C ATOM 0 H1 MET A 1 31.745 30.859 1.471 1.00 0.00 H new ATOM 0 H2 MET A 1 33.425 31.004 1.672 1.00 0.00 H new ATOM 0 H3 MET A 1 32.512 30.103 2.784 1.00 0.00 H new ATOM 0 HA MET A 1 32.608 33.045 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.708 33.026 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.260 32.667 2.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.437 30.196 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.810 30.589 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.674 31.490 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.344 30.875 6.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.028 32.574 5.986 1.00 0.00 H new ATOM 20 N GLN A 2 33.653 33.212 4.719 1.00 0.00 N ATOM 21 CA GLN A 2 34.488 33.258 5.920 1.00 0.00 C ATOM 22 C GLN A 2 33.823 34.096 7.009 1.00 0.00 C ATOM 23 O GLN A 2 33.005 34.968 6.725 1.00 0.00 O ATOM 24 CB GLN A 2 35.851 33.869 5.573 1.00 0.00 C ATOM 25 CG GLN A 2 35.645 35.195 4.835 1.00 0.00 C ATOM 26 CD GLN A 2 36.989 35.883 4.613 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.594 36.386 5.561 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.496 35.935 3.412 1.00 0.00 N ATOM 0 H GLN A 2 33.490 34.120 4.284 1.00 0.00 H new ATOM 0 HA GLN A 2 34.618 32.241 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.430 34.033 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.422 33.180 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.156 35.016 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.986 35.844 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.994 35.518 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.394 36.393 3.257 1.00 0.00 H new ATOM 37 N ILE A 3 34.209 33.840 8.255 1.00 0.00 N ATOM 38 CA ILE A 3 33.678 34.594 9.390 1.00 0.00 C ATOM 39 C ILE A 3 34.645 34.531 10.559 1.00 0.00 C ATOM 40 O ILE A 3 35.627 33.791 10.527 1.00 0.00 O ATOM 41 CB ILE A 3 32.301 34.073 9.825 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.366 32.553 10.075 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.260 34.398 8.742 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.963 31.943 9.998 1.00 0.00 C ATOM 0 H ILE A 3 34.885 33.119 8.506 1.00 0.00 H new ATOM 0 HA ILE A 3 33.559 35.629 9.070 1.00 0.00 H new ATOM 0 HB ILE A 3 32.007 34.562 10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.016 32.083 9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.802 32.357 11.054 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.283 34.027 9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.209 35.477 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.548 33.920 7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.023 30.869 10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.325 32.401 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.541 32.124 9.009 1.00 0.00 H new ATOM 56 N PHE A 4 34.359 35.317 11.590 1.00 0.00 N ATOM 57 CA PHE A 4 35.204 35.360 12.781 1.00 0.00 C ATOM 58 C PHE A 4 34.482 34.747 13.974 1.00 0.00 C ATOM 59 O PHE A 4 33.275 34.923 14.135 1.00 0.00 O ATOM 60 CB PHE A 4 35.554 36.812 13.106 1.00 0.00 C ATOM 61 CG PHE A 4 36.279 37.438 11.940 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.558 38.116 10.951 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.673 37.349 11.853 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.230 38.707 9.874 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.346 37.938 10.774 1.00 0.00 C ATOM 66 CZ PHE A 4 37.624 38.617 9.785 1.00 0.00 C ATOM 0 H PHE A 4 33.548 35.934 11.627 1.00 0.00 H new ATOM 0 HA PHE A 4 36.111 34.789 12.582 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.646 37.374 13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.178 36.854 13.999 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.482 38.184 11.018 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.230 36.827 12.617 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.673 39.232 9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.422 37.868 10.705 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.143 39.071 8.954 1.00 0.00 H new ATOM 76 N VAL A 5 35.235 34.045 14.821 1.00 0.00 N ATOM 77 CA VAL A 5 34.674 33.424 16.017 1.00 0.00 C ATOM 78 C VAL A 5 35.343 34.011 17.249 1.00 0.00 C ATOM 79 O VAL A 5 36.567 34.135 17.310 1.00 0.00 O ATOM 80 CB VAL A 5 34.877 31.905 15.969 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.571 31.293 17.341 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.918 31.309 14.935 1.00 0.00 C ATOM 0 H VAL A 5 36.236 33.893 14.699 1.00 0.00 H new ATOM 0 HA VAL A 5 33.604 33.624 16.062 1.00 0.00 H new ATOM 0 HB VAL A 5 35.910 31.687 15.699 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.717 30.214 17.299 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.240 31.721 18.088 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.538 31.509 17.613 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.054 30.228 14.893 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.890 31.534 15.220 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.126 31.739 13.955 1.00 0.00 H new ATOM 92 N LYS A 6 34.520 34.388 18.216 1.00 0.00 N ATOM 93 CA LYS A 6 35.005 34.988 19.453 1.00 0.00 C ATOM 94 C LYS A 6 34.745 34.062 20.641 1.00 0.00 C ATOM 95 O LYS A 6 33.645 33.520 20.792 1.00 0.00 O ATOM 96 CB LYS A 6 34.270 36.312 19.666 1.00 0.00 C ATOM 97 CG LYS A 6 35.000 37.155 20.704 1.00 0.00 C ATOM 98 CD LYS A 6 34.268 38.489 20.867 1.00 0.00 C ATOM 99 CE LYS A 6 34.993 39.360 21.895 1.00 0.00 C ATOM 100 NZ LYS A 6 34.305 40.678 21.997 1.00 0.00 N ATOM 0 H LYS A 6 33.506 34.289 18.168 1.00 0.00 H new ATOM 0 HA LYS A 6 36.080 35.154 19.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.205 36.857 18.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.248 36.121 19.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.039 36.628 21.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.030 37.327 20.393 1.00 0.00 H new ATOM 0 HD2 LYS A 6 34.220 39.006 19.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.241 38.313 21.187 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.002 38.865 22.866 1.00 0.00 H new ATOM 0 HE3 LYS A 6 36.033 39.501 21.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.796 41.273 22.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.319 41.149 21.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.320 40.533 22.297 1.00 0.00 H new ATOM 114 N THR A 7 35.764 33.886 21.487 1.00 0.00 N ATOM 115 CA THR A 7 35.639 33.029 22.672 1.00 0.00 C ATOM 116 C THR A 7 35.590 33.877 23.939 1.00 0.00 C ATOM 117 O THR A 7 35.627 35.108 23.881 1.00 0.00 O ATOM 118 CB THR A 7 36.818 32.056 22.755 1.00 0.00 C ATOM 119 OG1 THR A 7 38.007 32.777 23.048 1.00 0.00 O ATOM 120 CG2 THR A 7 36.977 31.322 21.423 1.00 0.00 C ATOM 0 H THR A 7 36.679 34.322 21.376 1.00 0.00 H new ATOM 0 HA THR A 7 34.712 32.461 22.585 1.00 0.00 H new ATOM 0 HB THR A 7 36.631 31.328 23.545 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.787 32.221 22.839 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.817 30.631 21.487 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.066 30.766 21.203 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.162 32.045 20.629 1.00 0.00 H new ATOM 128 N LEU A 8 35.517 33.218 25.091 1.00 0.00 N ATOM 129 CA LEU A 8 35.464 33.932 26.358 1.00 0.00 C ATOM 130 C LEU A 8 36.822 34.549 26.690 1.00 0.00 C ATOM 131 O LEU A 8 36.904 35.490 27.477 1.00 0.00 O ATOM 132 CB LEU A 8 35.039 32.980 27.480 1.00 0.00 C ATOM 133 CG LEU A 8 33.843 32.136 27.023 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.385 31.226 28.168 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.688 33.058 26.610 1.00 0.00 C ATOM 0 H LEU A 8 35.493 32.201 25.172 1.00 0.00 H new ATOM 0 HA LEU A 8 34.731 34.734 26.268 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.871 32.330 27.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.774 33.549 28.371 1.00 0.00 H new ATOM 0 HG LEU A 8 34.141 31.524 26.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.535 30.628 27.840 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.203 30.566 28.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.091 31.836 29.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.840 32.455 26.286 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.392 33.674 27.460 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.011 33.701 25.791 1.00 0.00 H new ATOM 147 N THR A 9 37.888 34.018 26.088 1.00 0.00 N ATOM 148 CA THR A 9 39.232 34.536 26.341 1.00 0.00 C ATOM 149 C THR A 9 39.534 35.733 25.444 1.00 0.00 C ATOM 150 O THR A 9 40.668 36.212 25.405 1.00 0.00 O ATOM 151 CB THR A 9 40.278 33.443 26.105 1.00 0.00 C ATOM 152 OG1 THR A 9 40.200 32.991 24.762 1.00 0.00 O ATOM 153 CG2 THR A 9 40.022 32.274 27.056 1.00 0.00 C ATOM 0 H THR A 9 37.848 33.240 25.430 1.00 0.00 H new ATOM 0 HA THR A 9 39.275 34.858 27.381 1.00 0.00 H new ATOM 0 HB THR A 9 41.272 33.849 26.292 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.311 33.190 24.401 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.767 31.497 26.886 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.089 32.622 28.087 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.027 31.868 26.874 1.00 0.00 H new ATOM 161 N GLY A 10 38.518 36.228 24.740 1.00 0.00 N ATOM 162 CA GLY A 10 38.705 37.381 23.867 1.00 0.00 C ATOM 163 C GLY A 10 39.571 37.026 22.665 1.00 0.00 C ATOM 164 O GLY A 10 40.176 37.901 22.046 1.00 0.00 O ATOM 0 H GLY A 10 37.569 35.854 24.757 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.735 37.743 23.526 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.170 38.193 24.427 1.00 0.00 H new ATOM 168 N LYS A 11 39.608 35.741 22.325 1.00 0.00 N ATOM 169 CA LYS A 11 40.385 35.282 21.179 1.00 0.00 C ATOM 170 C LYS A 11 39.524 35.338 19.926 1.00 0.00 C ATOM 171 O LYS A 11 38.379 34.875 19.930 1.00 0.00 O ATOM 172 CB LYS A 11 40.861 33.843 21.405 1.00 0.00 C ATOM 173 CG LYS A 11 41.894 33.465 20.338 1.00 0.00 C ATOM 174 CD LYS A 11 42.305 32.000 20.525 1.00 0.00 C ATOM 175 CE LYS A 11 43.215 31.566 19.372 1.00 0.00 C ATOM 176 NZ LYS A 11 43.588 30.132 19.547 1.00 0.00 N ATOM 0 H LYS A 11 39.112 35.003 22.824 1.00 0.00 H new ATOM 0 HA LYS A 11 41.253 35.930 21.058 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.299 33.747 22.399 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.014 33.159 21.362 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.476 33.613 19.342 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.768 34.112 20.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.823 31.877 21.476 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.419 31.366 20.560 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.705 31.707 18.419 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.111 32.186 19.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.206 29.836 18.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.090 30.012 20.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.728 29.547 19.549 1.00 0.00 H new ATOM 190 N THR A 12 40.078 35.891 18.847 1.00 0.00 N ATOM 191 CA THR A 12 39.355 35.987 17.578 1.00 0.00 C ATOM 192 C THR A 12 40.063 35.155 16.523 1.00 0.00 C ATOM 193 O THR A 12 41.251 35.343 16.260 1.00 0.00 O ATOM 194 CB THR A 12 39.284 37.443 17.110 1.00 0.00 C ATOM 195 OG1 THR A 12 38.619 38.221 18.095 1.00 0.00 O ATOM 196 CG2 THR A 12 38.506 37.513 15.790 1.00 0.00 C ATOM 0 H THR A 12 41.021 36.278 18.825 1.00 0.00 H new ATOM 0 HA THR A 12 38.342 35.613 17.726 1.00 0.00 H new ATOM 0 HB THR A 12 40.292 37.831 16.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.573 39.154 17.799 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.453 38.548 15.453 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.014 36.912 15.036 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.497 37.129 15.941 1.00 0.00 H new ATOM 204 N ILE A 13 39.323 34.232 15.924 1.00 0.00 N ATOM 205 CA ILE A 13 39.877 33.360 14.891 1.00 0.00 C ATOM 206 C ILE A 13 38.938 33.295 13.699 1.00 0.00 C ATOM 207 O ILE A 13 37.716 33.292 13.858 1.00 0.00 O ATOM 208 CB ILE A 13 40.100 31.957 15.455 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.842 31.110 14.420 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.753 31.311 15.777 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.176 29.745 15.022 1.00 0.00 C ATOM 0 H ILE A 13 38.339 34.066 16.133 1.00 0.00 H new ATOM 0 HA ILE A 13 40.833 33.769 14.564 1.00 0.00 H new ATOM 0 HB ILE A 13 40.693 32.021 16.368 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.227 30.985 13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.756 31.615 14.109 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.916 30.311 16.179 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.226 31.917 16.514 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.155 31.244 14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.705 29.142 14.284 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.807 29.879 15.901 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.255 29.240 15.311 1.00 0.00 H new ATOM 223 N THR A 14 39.516 33.254 12.509 1.00 0.00 N ATOM 224 CA THR A 14 38.722 33.194 11.287 1.00 0.00 C ATOM 225 C THR A 14 38.600 31.757 10.798 1.00 0.00 C ATOM 226 O THR A 14 39.567 30.993 10.809 1.00 0.00 O ATOM 227 CB THR A 14 39.356 34.065 10.203 1.00 0.00 C ATOM 228 OG1 THR A 14 39.648 35.344 10.748 1.00 0.00 O ATOM 229 CG2 THR A 14 38.372 34.219 9.037 1.00 0.00 C ATOM 0 H THR A 14 40.525 33.261 12.361 1.00 0.00 H new ATOM 0 HA THR A 14 37.723 33.572 11.506 1.00 0.00 H new ATOM 0 HB THR A 14 40.274 33.600 9.844 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.826 35.877 10.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.821 34.840 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.139 33.237 8.626 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.456 34.690 9.394 1.00 0.00 H new ATOM 237 N LEU A 15 37.389 31.399 10.376 1.00 0.00 N ATOM 238 CA LEU A 15 37.096 30.053 9.887 1.00 0.00 C ATOM 239 C LEU A 15 36.515 30.123 8.472 1.00 0.00 C ATOM 240 O LEU A 15 35.775 31.046 8.136 1.00 0.00 O ATOM 241 CB LEU A 15 36.071 29.389 10.848 1.00 0.00 C ATOM 242 CG LEU A 15 36.728 28.303 11.714 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.850 28.911 12.567 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.660 27.695 12.629 1.00 0.00 C ATOM 0 H LEU A 15 36.587 32.029 10.363 1.00 0.00 H new ATOM 0 HA LEU A 15 38.012 29.464 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.629 30.150 11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.259 28.951 10.268 1.00 0.00 H new ATOM 0 HG LEU A 15 37.157 27.534 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.307 28.131 13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.604 29.352 11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.436 29.682 13.216 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.111 26.922 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.240 28.474 13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.868 27.257 12.022 1.00 0.00 H new ATOM 256 N GLU A 16 36.832 29.115 7.662 1.00 0.00 N ATOM 257 CA GLU A 16 36.310 29.032 6.294 1.00 0.00 C ATOM 258 C GLU A 16 35.268 27.924 6.237 1.00 0.00 C ATOM 259 O GLU A 16 35.552 26.778 6.585 1.00 0.00 O ATOM 260 CB GLU A 16 37.436 28.747 5.292 1.00 0.00 C ATOM 261 CG GLU A 16 38.376 27.680 5.854 1.00 0.00 C ATOM 262 CD GLU A 16 39.481 27.381 4.845 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.235 27.545 3.661 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.555 26.990 5.271 1.00 0.00 O ATOM 0 H GLU A 16 37.446 28.345 7.926 1.00 0.00 H new ATOM 0 HA GLU A 16 35.858 29.987 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.015 28.410 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.992 29.662 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.811 28.024 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.818 26.771 6.076 1.00 0.00 H new ATOM 271 N VAL A 17 34.056 28.269 5.812 1.00 0.00 N ATOM 272 CA VAL A 17 32.979 27.278 5.744 1.00 0.00 C ATOM 273 C VAL A 17 32.029 27.559 4.586 1.00 0.00 C ATOM 274 O VAL A 17 32.066 28.629 3.975 1.00 0.00 O ATOM 275 CB VAL A 17 32.202 27.258 7.082 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.162 27.531 8.246 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.110 28.334 7.087 1.00 0.00 C ATOM 0 H VAL A 17 33.794 29.209 5.514 1.00 0.00 H new ATOM 0 HA VAL A 17 33.429 26.301 5.570 1.00 0.00 H new ATOM 0 HB VAL A 17 31.744 26.275 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.609 27.516 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.935 26.763 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.625 28.509 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.574 28.304 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.566 29.316 6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.412 28.148 6.271 1.00 0.00 H new ATOM 287 N GLU A 18 31.155 26.591 4.314 1.00 0.00 N ATOM 288 CA GLU A 18 30.158 26.719 3.258 1.00 0.00 C ATOM 289 C GLU A 18 28.805 27.024 3.896 1.00 0.00 C ATOM 290 O GLU A 18 28.560 26.635 5.038 1.00 0.00 O ATOM 291 CB GLU A 18 30.080 25.407 2.468 1.00 0.00 C ATOM 292 CG GLU A 18 31.283 25.297 1.532 1.00 0.00 C ATOM 293 CD GLU A 18 31.298 23.926 0.863 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.341 23.192 1.041 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.268 23.631 0.184 1.00 0.00 O ATOM 0 H GLU A 18 31.119 25.704 4.816 1.00 0.00 H new ATOM 0 HA GLU A 18 30.433 27.525 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.061 24.559 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.155 25.372 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.238 26.080 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.206 25.448 2.092 1.00 0.00 H new ATOM 302 N PRO A 19 27.927 27.705 3.207 1.00 0.00 N ATOM 303 CA PRO A 19 26.587 28.054 3.763 1.00 0.00 C ATOM 304 C PRO A 19 25.735 26.808 3.987 1.00 0.00 C ATOM 305 O PRO A 19 24.719 26.857 4.681 1.00 0.00 O ATOM 306 CB PRO A 19 25.977 28.973 2.692 1.00 0.00 C ATOM 307 CG PRO A 19 26.674 28.593 1.427 1.00 0.00 C ATOM 308 CD PRO A 19 28.095 28.218 1.836 1.00 0.00 C ATOM 0 HA PRO A 19 26.647 28.533 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.900 28.826 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.138 30.024 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.173 27.756 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.676 29.420 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.519 27.464 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.763 29.079 1.807 1.00 0.00 H new ATOM 316 N SER A 20 26.146 25.692 3.381 1.00 0.00 N ATOM 317 CA SER A 20 25.410 24.436 3.499 1.00 0.00 C ATOM 318 C SER A 20 26.077 23.493 4.497 1.00 0.00 C ATOM 319 O SER A 20 25.663 22.342 4.637 1.00 0.00 O ATOM 320 CB SER A 20 25.348 23.759 2.131 1.00 0.00 C ATOM 321 OG SER A 20 24.852 22.437 2.281 1.00 0.00 O ATOM 0 H SER A 20 26.985 25.635 2.804 1.00 0.00 H new ATOM 0 HA SER A 20 24.406 24.660 3.859 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.703 24.327 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.339 23.738 1.678 1.00 0.00 H new ATOM 0 HG SER A 20 24.600 22.286 3.216 1.00 0.00 H new ATOM 327 N ASP A 21 27.102 23.975 5.196 1.00 0.00 N ATOM 328 CA ASP A 21 27.790 23.152 6.176 1.00 0.00 C ATOM 329 C ASP A 21 26.857 22.824 7.337 1.00 0.00 C ATOM 330 O ASP A 21 26.009 23.635 7.711 1.00 0.00 O ATOM 331 CB ASP A 21 29.031 23.901 6.686 1.00 0.00 C ATOM 332 CG ASP A 21 30.194 23.756 5.705 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.095 22.938 4.808 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.172 24.461 5.873 1.00 0.00 O ATOM 0 H ASP A 21 27.468 24.922 5.101 1.00 0.00 H new ATOM 0 HA ASP A 21 28.100 22.217 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.794 24.956 6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.321 23.511 7.661 1.00 0.00 H new ATOM 339 N THR A 22 27.022 21.633 7.907 1.00 0.00 N ATOM 340 CA THR A 22 26.191 21.210 9.032 1.00 0.00 C ATOM 341 C THR A 22 26.852 21.608 10.341 1.00 0.00 C ATOM 342 O THR A 22 28.075 21.710 10.418 1.00 0.00 O ATOM 343 CB THR A 22 25.993 19.692 9.006 1.00 0.00 C ATOM 344 OG1 THR A 22 27.260 19.050 9.023 1.00 0.00 O ATOM 345 CG2 THR A 22 25.231 19.292 7.742 1.00 0.00 C ATOM 0 H THR A 22 27.718 20.948 7.612 1.00 0.00 H new ATOM 0 HA THR A 22 25.220 21.699 8.949 1.00 0.00 H new ATOM 0 HB THR A 22 25.419 19.387 9.881 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.135 18.078 9.008 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.092 18.211 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.258 19.783 7.733 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.799 19.597 6.863 1.00 0.00 H new ATOM 353 N ILE A 23 26.043 21.833 11.365 1.00 0.00 N ATOM 354 CA ILE A 23 26.583 22.218 12.659 1.00 0.00 C ATOM 355 C ILE A 23 27.665 21.234 13.079 1.00 0.00 C ATOM 356 O ILE A 23 28.519 21.547 13.905 1.00 0.00 O ATOM 357 CB ILE A 23 25.471 22.251 13.710 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.242 22.983 13.154 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.968 22.975 14.960 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.663 24.304 12.497 1.00 0.00 C ATOM 0 H ILE A 23 25.027 21.757 11.327 1.00 0.00 H new ATOM 0 HA ILE A 23 27.016 23.215 12.577 1.00 0.00 H new ATOM 0 HB ILE A 23 25.194 21.228 13.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.733 22.352 12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.532 23.178 13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.175 22.997 15.707 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.833 22.450 15.365 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.251 23.995 14.701 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.782 24.813 12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.151 24.939 13.236 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.355 24.100 11.680 1.00 0.00 H new ATOM 372 N GLU A 24 27.631 20.048 12.485 1.00 0.00 N ATOM 373 CA GLU A 24 28.622 19.025 12.790 1.00 0.00 C ATOM 374 C GLU A 24 29.931 19.336 12.067 1.00 0.00 C ATOM 375 O GLU A 24 30.991 19.419 12.687 1.00 0.00 O ATOM 376 CB GLU A 24 28.100 17.653 12.360 1.00 0.00 C ATOM 377 CG GLU A 24 26.771 17.369 13.067 1.00 0.00 C ATOM 378 CD GLU A 24 26.150 16.088 12.520 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.780 15.049 12.640 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.056 16.164 11.986 1.00 0.00 O ATOM 0 H GLU A 24 26.933 19.772 11.794 1.00 0.00 H new ATOM 0 HA GLU A 24 28.805 19.015 13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.962 17.627 11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.828 16.881 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.934 17.274 14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.087 18.205 12.922 1.00 0.00 H new ATOM 387 N ASN A 25 29.847 19.510 10.752 1.00 0.00 N ATOM 388 CA ASN A 25 31.022 19.813 9.953 1.00 0.00 C ATOM 389 C ASN A 25 31.718 21.068 10.473 1.00 0.00 C ATOM 390 O ASN A 25 32.945 21.117 10.549 1.00 0.00 O ATOM 391 CB ASN A 25 30.602 20.025 8.499 1.00 0.00 C ATOM 392 CG ASN A 25 30.261 18.689 7.847 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.868 17.667 8.165 1.00 0.00 O ATOM 394 ND2 ASN A 25 29.320 18.639 6.945 1.00 0.00 N ATOM 0 H ASN A 25 28.978 19.446 10.221 1.00 0.00 H new ATOM 0 HA ASN A 25 31.719 18.978 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.739 20.689 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.407 20.512 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.086 17.751 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.819 19.488 6.684 1.00 0.00 H new ATOM 401 N VAL A 26 30.933 22.081 10.821 1.00 0.00 N ATOM 402 CA VAL A 26 31.503 23.327 11.320 1.00 0.00 C ATOM 403 C VAL A 26 32.188 23.103 12.665 1.00 0.00 C ATOM 404 O VAL A 26 33.284 23.609 12.904 1.00 0.00 O ATOM 405 CB VAL A 26 30.413 24.393 11.455 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.048 25.711 11.888 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.724 24.590 10.105 1.00 0.00 C ATOM 0 H VAL A 26 29.914 22.066 10.768 1.00 0.00 H new ATOM 0 HA VAL A 26 32.249 23.674 10.605 1.00 0.00 H new ATOM 0 HB VAL A 26 29.682 24.073 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.275 26.473 11.985 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.547 25.576 12.847 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.776 26.027 11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.948 25.349 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.457 24.912 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.275 23.650 9.785 1.00 0.00 H new ATOM 417 N LYS A 27 31.550 22.328 13.536 1.00 0.00 N ATOM 418 CA LYS A 27 32.130 22.041 14.841 1.00 0.00 C ATOM 419 C LYS A 27 33.439 21.300 14.642 1.00 0.00 C ATOM 420 O LYS A 27 34.411 21.513 15.366 1.00 0.00 O ATOM 421 CB LYS A 27 31.161 21.200 15.685 1.00 0.00 C ATOM 422 CG LYS A 27 30.105 22.111 16.323 1.00 0.00 C ATOM 423 CD LYS A 27 29.021 21.255 16.985 1.00 0.00 C ATOM 424 CE LYS A 27 28.191 22.125 17.933 1.00 0.00 C ATOM 425 NZ LYS A 27 27.060 21.323 18.481 1.00 0.00 N ATOM 0 H LYS A 27 30.643 21.893 13.365 1.00 0.00 H new ATOM 0 HA LYS A 27 32.315 22.975 15.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.677 20.449 15.060 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.709 20.665 16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.571 22.762 17.063 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.661 22.756 15.565 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.378 20.812 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.478 20.432 17.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.816 22.495 18.746 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.809 22.997 17.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.394 21.953 18.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.569 20.839 17.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.427 20.617 19.151 1.00 0.00 H new ATOM 439 N ALA A 28 33.451 20.437 13.641 1.00 0.00 N ATOM 440 CA ALA A 28 34.633 19.666 13.316 1.00 0.00 C ATOM 441 C ALA A 28 35.796 20.599 12.977 1.00 0.00 C ATOM 442 O ALA A 28 36.937 20.351 13.368 1.00 0.00 O ATOM 443 CB ALA A 28 34.314 18.759 12.125 1.00 0.00 C ATOM 0 H ALA A 28 32.649 20.254 13.038 1.00 0.00 H new ATOM 0 HA ALA A 28 34.925 19.058 14.173 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.196 18.172 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.495 18.089 12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.024 19.370 11.270 1.00 0.00 H new ATOM 449 N LYS A 29 35.488 21.684 12.267 1.00 0.00 N ATOM 450 CA LYS A 29 36.511 22.660 11.900 1.00 0.00 C ATOM 451 C LYS A 29 37.054 23.331 13.159 1.00 0.00 C ATOM 452 O LYS A 29 38.263 23.545 13.305 1.00 0.00 O ATOM 453 CB LYS A 29 35.925 23.733 10.970 1.00 0.00 C ATOM 454 CG LYS A 29 35.543 23.116 9.620 1.00 0.00 C ATOM 455 CD LYS A 29 34.999 24.210 8.694 1.00 0.00 C ATOM 456 CE LYS A 29 34.552 23.587 7.371 1.00 0.00 C ATOM 457 NZ LYS A 29 35.735 23.025 6.662 1.00 0.00 N ATOM 0 H LYS A 29 34.549 21.907 11.938 1.00 0.00 H new ATOM 0 HA LYS A 29 37.315 22.140 11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.047 24.185 11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.653 24.531 10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.412 22.640 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.792 22.339 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.161 24.719 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.767 24.962 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.819 22.802 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.065 24.338 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.497 22.865 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.529 23.694 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.007 22.122 7.102 1.00 0.00 H new ATOM 471 N ILE A 30 36.146 23.645 14.076 1.00 0.00 N ATOM 472 CA ILE A 30 36.521 24.278 15.324 1.00 0.00 C ATOM 473 C ILE A 30 37.375 23.331 16.160 1.00 0.00 C ATOM 474 O ILE A 30 38.397 23.730 16.706 1.00 0.00 O ATOM 475 CB ILE A 30 35.256 24.678 16.085 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.540 25.793 15.314 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.635 25.182 17.478 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.173 26.072 15.946 1.00 0.00 C ATOM 0 H ILE A 30 35.146 23.470 13.974 1.00 0.00 H new ATOM 0 HA ILE A 30 37.111 25.171 15.117 1.00 0.00 H new ATOM 0 HB ILE A 30 34.597 23.815 16.182 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.146 26.699 15.323 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.415 25.503 14.271 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.733 25.467 18.020 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.151 24.392 18.023 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.291 26.047 17.386 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.671 26.865 15.392 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.566 25.167 15.914 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.308 26.382 16.982 1.00 0.00 H new ATOM 490 N GLN A 31 36.945 22.077 16.258 1.00 0.00 N ATOM 491 CA GLN A 31 37.687 21.089 17.034 1.00 0.00 C ATOM 492 C GLN A 31 39.090 20.908 16.467 1.00 0.00 C ATOM 493 O GLN A 31 40.069 20.861 17.207 1.00 0.00 O ATOM 494 CB GLN A 31 36.960 19.741 17.011 1.00 0.00 C ATOM 495 CG GLN A 31 37.642 18.771 17.984 1.00 0.00 C ATOM 496 CD GLN A 31 37.072 17.369 17.814 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.728 16.967 16.704 1.00 0.00 O ATOM 498 NE2 GLN A 31 36.958 16.594 18.857 1.00 0.00 N ATOM 0 H GLN A 31 36.097 21.723 15.816 1.00 0.00 H new ATOM 0 HA GLN A 31 37.757 21.448 18.061 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.915 19.876 17.289 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.971 19.328 16.002 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.717 18.759 17.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.495 19.110 19.010 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.244 16.931 19.776 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.583 15.651 18.753 1.00 0.00 H new ATOM 507 N ASP A 32 39.175 20.782 15.152 1.00 0.00 N ATOM 508 CA ASP A 32 40.460 20.579 14.496 1.00 0.00 C ATOM 509 C ASP A 32 41.451 21.694 14.829 1.00 0.00 C ATOM 510 O ASP A 32 42.645 21.438 14.985 1.00 0.00 O ATOM 511 CB ASP A 32 40.263 20.508 12.981 1.00 0.00 C ATOM 512 CG ASP A 32 41.596 20.229 12.293 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.405 21.138 12.220 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.787 19.109 11.848 1.00 0.00 O ATOM 0 H ASP A 32 38.375 20.816 14.520 1.00 0.00 H new ATOM 0 HA ASP A 32 40.874 19.640 14.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.547 19.724 12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 39.846 21.446 12.616 1.00 0.00 H new ATOM 519 N LYS A 33 40.966 22.934 14.916 1.00 0.00 N ATOM 520 CA LYS A 33 41.851 24.069 15.204 1.00 0.00 C ATOM 521 C LYS A 33 41.999 24.349 16.709 1.00 0.00 C ATOM 522 O LYS A 33 43.074 24.741 17.157 1.00 0.00 O ATOM 523 CB LYS A 33 41.318 25.324 14.509 1.00 0.00 C ATOM 524 CG LYS A 33 41.204 25.064 13.005 1.00 0.00 C ATOM 525 CD LYS A 33 40.711 26.331 12.301 1.00 0.00 C ATOM 526 CE LYS A 33 40.468 26.036 10.819 1.00 0.00 C ATOM 527 NZ LYS A 33 39.237 25.209 10.672 1.00 0.00 N ATOM 0 H LYS A 33 39.983 23.178 14.794 1.00 0.00 H new ATOM 0 HA LYS A 33 42.838 23.805 14.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.344 25.593 14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.985 26.166 14.694 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.172 24.766 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.514 24.241 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.791 26.683 12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.447 27.128 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.361 26.968 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.325 25.511 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.458 24.352 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.886 24.939 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.507 25.758 10.174 1.00 0.00 H new ATOM 541 N GLU A 34 40.922 24.184 17.483 1.00 0.00 N ATOM 542 CA GLU A 34 40.972 24.467 18.927 1.00 0.00 C ATOM 543 C GLU A 34 41.117 23.195 19.767 1.00 0.00 C ATOM 544 O GLU A 34 41.428 23.270 20.955 1.00 0.00 O ATOM 545 CB GLU A 34 39.702 25.211 19.353 1.00 0.00 C ATOM 546 CG GLU A 34 39.530 26.464 18.494 1.00 0.00 C ATOM 547 CD GLU A 34 38.280 27.225 18.926 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.643 26.793 19.874 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.976 28.229 18.303 1.00 0.00 O ATOM 0 H GLU A 34 40.016 23.861 17.144 1.00 0.00 H new ATOM 0 HA GLU A 34 41.853 25.084 19.104 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.834 24.561 19.244 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.765 25.485 20.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.407 27.104 18.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.452 26.186 17.443 1.00 0.00 H new ATOM 556 N GLY A 35 40.929 22.033 19.150 1.00 0.00 N ATOM 557 CA GLY A 35 41.079 20.764 19.864 1.00 0.00 C ATOM 558 C GLY A 35 40.059 20.599 20.994 1.00 0.00 C ATOM 559 O GLY A 35 40.234 19.746 21.863 1.00 0.00 O ATOM 0 H GLY A 35 40.675 21.940 18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 35 40.971 19.940 19.159 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.086 20.700 20.277 1.00 0.00 H new ATOM 563 N ILE A 36 38.999 21.403 20.981 1.00 0.00 N ATOM 564 CA ILE A 36 37.970 21.319 22.014 1.00 0.00 C ATOM 565 C ILE A 36 36.830 20.393 21.554 1.00 0.00 C ATOM 566 O ILE A 36 36.154 20.697 20.572 1.00 0.00 O ATOM 567 CB ILE A 36 37.413 22.717 22.283 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.576 23.680 22.539 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.511 22.677 23.513 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.037 25.095 22.767 1.00 0.00 C ATOM 0 H ILE A 36 38.830 22.116 20.271 1.00 0.00 H new ATOM 0 HA ILE A 36 38.409 20.913 22.925 1.00 0.00 H new ATOM 0 HB ILE A 36 36.837 23.054 21.421 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.146 23.353 23.409 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.259 23.674 21.690 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.114 23.674 23.705 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.687 21.985 23.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.087 22.343 24.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.868 25.776 22.949 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.487 25.421 21.885 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.372 25.096 23.630 1.00 0.00 H new ATOM 582 N PRO A 37 36.590 19.275 22.221 1.00 0.00 N ATOM 583 CA PRO A 37 35.496 18.338 21.824 1.00 0.00 C ATOM 584 C PRO A 37 34.186 19.075 21.494 1.00 0.00 C ATOM 585 O PRO A 37 33.862 20.086 22.116 1.00 0.00 O ATOM 586 CB PRO A 37 35.329 17.436 23.051 1.00 0.00 C ATOM 587 CG PRO A 37 36.679 17.409 23.691 1.00 0.00 C ATOM 588 CD PRO A 37 37.317 18.775 23.406 1.00 0.00 C ATOM 0 HA PRO A 37 35.739 17.787 20.916 1.00 0.00 H new ATOM 0 HB2 PRO A 37 34.576 17.831 23.733 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.007 16.435 22.765 1.00 0.00 H new ATOM 0 HG2 PRO A 37 36.597 17.234 24.764 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.287 16.603 23.282 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.208 19.450 24.255 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.385 18.682 23.208 1.00 0.00 H new ATOM 596 N PRO A 38 33.426 18.597 20.535 1.00 0.00 N ATOM 597 CA PRO A 38 32.139 19.244 20.130 1.00 0.00 C ATOM 598 C PRO A 38 31.054 19.096 21.196 1.00 0.00 C ATOM 599 O PRO A 38 30.141 19.916 21.285 1.00 0.00 O ATOM 600 CB PRO A 38 31.763 18.506 18.840 1.00 0.00 C ATOM 601 CG PRO A 38 32.365 17.157 19.009 1.00 0.00 C ATOM 602 CD PRO A 38 33.687 17.387 19.735 1.00 0.00 C ATOM 0 HA PRO A 38 32.240 20.321 19.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 30.682 18.448 18.714 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.160 19.013 17.960 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.709 16.504 19.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.526 16.676 18.044 1.00 0.00 H new ATOM 0 HD2 PRO A 38 33.954 16.538 20.364 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.510 17.536 19.036 1.00 0.00 H new ATOM 610 N ASP A 39 31.162 18.047 22.000 1.00 0.00 N ATOM 611 CA ASP A 39 30.183 17.809 23.051 1.00 0.00 C ATOM 612 C ASP A 39 30.371 18.792 24.199 1.00 0.00 C ATOM 613 O ASP A 39 29.509 18.909 25.072 1.00 0.00 O ATOM 614 CB ASP A 39 30.311 16.377 23.575 1.00 0.00 C ATOM 615 CG ASP A 39 29.089 16.018 24.416 1.00 0.00 C ATOM 616 OD1 ASP A 39 28.101 15.591 23.840 1.00 0.00 O ATOM 617 OD2 ASP A 39 29.157 16.176 25.624 1.00 0.00 O ATOM 0 H ASP A 39 31.909 17.354 21.946 1.00 0.00 H new ATOM 0 HA ASP A 39 29.189 17.952 22.628 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.405 15.683 22.740 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.216 16.280 24.174 1.00 0.00 H new ATOM 622 N GLN A 40 31.509 19.494 24.208 1.00 0.00 N ATOM 623 CA GLN A 40 31.801 20.460 25.268 1.00 0.00 C ATOM 624 C GLN A 40 31.598 21.888 24.773 1.00 0.00 C ATOM 625 O GLN A 40 31.715 22.842 25.543 1.00 0.00 O ATOM 626 CB GLN A 40 33.250 20.297 25.729 1.00 0.00 C ATOM 627 CG GLN A 40 33.445 18.902 26.326 1.00 0.00 C ATOM 628 CD GLN A 40 34.911 18.697 26.698 1.00 0.00 C ATOM 629 OE1 GLN A 40 35.710 19.727 26.759 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 35.339 17.568 26.940 1.00 0.00 N flip ATOM 0 H GLN A 40 32.237 19.411 23.498 1.00 0.00 H new ATOM 0 HA GLN A 40 31.119 20.272 26.097 1.00 0.00 H new ATOM 0 HB2 GLN A 40 33.928 20.442 24.888 1.00 0.00 H new ATOM 0 HB3 GLN A 40 33.494 21.058 26.470 1.00 0.00 H new ATOM 0 HG2 GLN A 40 32.817 18.784 27.209 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.133 18.143 25.609 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.713 16.764 26.892 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.319 17.437 27.189 1.00 0.00 H new ATOM 639 N GLN A 41 31.321 22.039 23.474 1.00 0.00 N ATOM 640 CA GLN A 41 31.135 23.367 22.882 1.00 0.00 C ATOM 641 C GLN A 41 29.690 23.613 22.464 1.00 0.00 C ATOM 642 O GLN A 41 29.011 22.719 21.957 1.00 0.00 O ATOM 643 CB GLN A 41 32.031 23.508 21.650 1.00 0.00 C ATOM 644 CG GLN A 41 33.499 23.485 22.075 1.00 0.00 C ATOM 645 CD GLN A 41 34.391 23.752 20.868 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.009 24.814 20.774 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.494 22.849 19.931 1.00 0.00 N ATOM 0 H GLN A 41 31.221 21.265 22.817 1.00 0.00 H new ATOM 0 HA GLN A 41 31.400 24.101 23.643 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.833 22.697 20.949 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.807 24.440 21.131 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.676 24.238 22.843 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.745 22.518 22.513 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.982 21.971 20.011 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.087 23.022 19.119 1.00 0.00 H new ATOM 656 N ARG A 42 29.242 24.852 22.668 1.00 0.00 N ATOM 657 CA ARG A 42 27.893 25.273 22.297 1.00 0.00 C ATOM 658 C ARG A 42 27.999 26.529 21.441 1.00 0.00 C ATOM 659 O ARG A 42 28.735 27.454 21.786 1.00 0.00 O ATOM 660 CB ARG A 42 27.069 25.567 23.559 1.00 0.00 C ATOM 661 CG ARG A 42 26.938 24.288 24.426 1.00 0.00 C ATOM 662 CD ARG A 42 25.550 24.228 25.072 1.00 0.00 C ATOM 663 NE ARG A 42 25.277 25.455 25.815 1.00 0.00 N ATOM 664 CZ ARG A 42 24.194 25.574 26.579 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.968 26.685 27.226 1.00 0.00 N ATOM 666 NH2 ARG A 42 23.355 24.578 26.682 1.00 0.00 N ATOM 0 H ARG A 42 29.803 25.590 23.094 1.00 0.00 H new ATOM 0 HA ARG A 42 27.396 24.481 21.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.546 26.359 24.137 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.079 25.928 23.279 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.099 23.404 23.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.707 24.283 25.198 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.791 24.085 24.303 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.491 23.370 25.742 1.00 0.00 H new ATOM 0 HE ARG A 42 25.929 26.236 25.747 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.622 27.464 27.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.137 26.774 27.811 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.530 23.709 26.177 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.525 24.669 27.268 1.00 0.00 H new ATOM 680 N LEU A 43 27.282 26.565 20.318 1.00 0.00 N ATOM 681 CA LEU A 43 27.332 27.726 19.419 1.00 0.00 C ATOM 682 C LEU A 43 26.044 28.538 19.504 1.00 0.00 C ATOM 683 O LEU A 43 24.960 28.021 19.228 1.00 0.00 O ATOM 684 CB LEU A 43 27.529 27.242 17.978 1.00 0.00 C ATOM 685 CG LEU A 43 28.674 26.222 17.916 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.873 25.767 16.467 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.970 26.863 18.430 1.00 0.00 C ATOM 0 H LEU A 43 26.665 25.814 20.008 1.00 0.00 H new ATOM 0 HA LEU A 43 28.164 28.362 19.721 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.608 26.790 17.609 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.751 28.089 17.329 1.00 0.00 H new ATOM 0 HG LEU A 43 28.424 25.364 18.540 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.686 25.042 16.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.955 25.306 16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.119 26.628 15.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.779 26.134 18.384 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.221 27.724 17.810 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.832 27.187 19.462 1.00 0.00 H new ATOM 699 N ILE A 44 26.164 29.820 19.887 1.00 0.00 N ATOM 700 CA ILE A 44 24.994 30.700 20.009 1.00 0.00 C ATOM 701 C ILE A 44 25.068 31.841 18.994 1.00 0.00 C ATOM 702 O ILE A 44 26.095 32.511 18.865 1.00 0.00 O ATOM 703 CB ILE A 44 24.929 31.269 21.430 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.031 30.116 22.443 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.608 32.014 21.627 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.941 29.064 22.179 1.00 0.00 C ATOM 0 H ILE A 44 27.053 30.266 20.115 1.00 0.00 H new ATOM 0 HA ILE A 44 24.095 30.119 19.807 1.00 0.00 H new ATOM 0 HB ILE A 44 25.756 31.963 21.583 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.015 29.652 22.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.930 30.505 23.456 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.565 32.417 22.639 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.540 32.830 20.908 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.776 31.326 21.475 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.030 28.257 22.906 1.00 0.00 H new ATOM 0 HD12 ILE A 44 22.959 29.527 22.270 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.060 28.661 21.173 1.00 0.00 H new ATOM 718 N PHE A 45 23.954 32.056 18.298 1.00 0.00 N ATOM 719 CA PHE A 45 23.841 33.115 17.296 1.00 0.00 C ATOM 720 C PHE A 45 22.399 33.612 17.279 1.00 0.00 C ATOM 721 O PHE A 45 21.471 32.818 17.421 1.00 0.00 O ATOM 722 CB PHE A 45 24.208 32.570 15.914 1.00 0.00 C ATOM 723 CG PHE A 45 24.035 33.650 14.866 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.071 34.558 14.621 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.837 33.742 14.144 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.916 35.550 13.643 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.683 34.735 13.167 1.00 0.00 C ATOM 728 CZ PHE A 45 23.720 35.642 12.922 1.00 0.00 C ATOM 0 H PHE A 45 23.105 31.502 18.412 1.00 0.00 H new ATOM 0 HA PHE A 45 24.520 33.931 17.544 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.239 32.216 15.916 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.578 31.714 15.673 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.990 34.495 15.185 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.033 33.048 14.340 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.720 36.244 13.446 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.764 34.800 12.603 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.597 36.413 12.176 1.00 0.00 H new ATOM 738 N ALA A 46 22.203 34.915 17.113 1.00 0.00 N ATOM 739 CA ALA A 46 20.848 35.453 17.104 1.00 0.00 C ATOM 740 C ALA A 46 20.095 34.930 18.325 1.00 0.00 C ATOM 741 O ALA A 46 18.883 34.716 18.290 1.00 0.00 O ATOM 742 CB ALA A 46 20.124 35.040 15.821 1.00 0.00 C ATOM 0 H ALA A 46 22.945 35.604 16.986 1.00 0.00 H new ATOM 0 HA ALA A 46 20.889 36.542 17.140 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.113 35.448 15.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.666 35.425 14.957 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.076 33.953 15.764 1.00 0.00 H new ATOM 748 N GLY A 47 20.845 34.747 19.410 1.00 0.00 N ATOM 749 CA GLY A 47 20.295 34.272 20.675 1.00 0.00 C ATOM 750 C GLY A 47 19.757 32.840 20.605 1.00 0.00 C ATOM 751 O GLY A 47 19.100 32.390 21.544 1.00 0.00 O ATOM 0 H GLY A 47 21.849 34.924 19.436 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.068 34.325 21.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.491 34.939 20.987 1.00 0.00 H new ATOM 755 N LYS A 48 20.026 32.119 19.511 1.00 0.00 N ATOM 756 CA LYS A 48 19.538 30.733 19.374 1.00 0.00 C ATOM 757 C LYS A 48 20.688 29.738 19.243 1.00 0.00 C ATOM 758 O LYS A 48 21.675 29.994 18.553 1.00 0.00 O ATOM 759 CB LYS A 48 18.643 30.597 18.142 1.00 0.00 C ATOM 760 CG LYS A 48 17.361 31.406 18.331 1.00 0.00 C ATOM 761 CD LYS A 48 16.484 31.236 17.089 1.00 0.00 C ATOM 762 CE LYS A 48 15.176 32.007 17.267 1.00 0.00 C ATOM 763 NZ LYS A 48 14.433 32.020 15.975 1.00 0.00 N ATOM 0 H LYS A 48 20.569 32.460 18.718 1.00 0.00 H new ATOM 0 HA LYS A 48 18.973 30.508 20.279 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.175 30.946 17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.399 29.548 17.975 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.828 31.067 19.219 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.598 32.459 18.485 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.013 31.598 16.207 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.274 30.179 16.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.569 31.542 18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.383 33.027 17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.542 32.544 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.013 32.482 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.225 31.043 15.685 1.00 0.00 H new ATOM 777 N GLN A 49 20.528 28.587 19.895 1.00 0.00 N ATOM 778 CA GLN A 49 21.523 27.529 19.844 1.00 0.00 C ATOM 779 C GLN A 49 21.347 26.712 18.566 1.00 0.00 C ATOM 780 O GLN A 49 20.231 26.339 18.209 1.00 0.00 O ATOM 781 CB GLN A 49 21.364 26.616 21.062 1.00 0.00 C ATOM 782 CG GLN A 49 22.547 25.651 21.146 1.00 0.00 C ATOM 783 CD GLN A 49 22.264 24.568 22.185 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.680 24.849 23.231 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.646 23.342 21.956 1.00 0.00 N ATOM 0 H GLN A 49 19.712 28.368 20.466 1.00 0.00 H new ATOM 0 HA GLN A 49 22.518 27.973 19.851 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.306 27.215 21.971 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.431 26.057 20.989 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.725 25.195 20.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.453 26.195 21.413 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.130 23.112 21.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.461 22.613 22.645 1.00 0.00 H new ATOM 794 N LEU A 50 22.449 26.448 17.874 1.00 0.00 N ATOM 795 CA LEU A 50 22.388 25.685 16.628 1.00 0.00 C ATOM 796 C LEU A 50 22.133 24.204 16.904 1.00 0.00 C ATOM 797 O LEU A 50 22.848 23.572 17.682 1.00 0.00 O ATOM 798 CB LEU A 50 23.691 25.859 15.845 1.00 0.00 C ATOM 799 CG LEU A 50 24.159 27.315 15.947 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.358 27.535 15.023 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.023 28.256 15.530 1.00 0.00 C ATOM 0 H LEU A 50 23.385 26.745 18.148 1.00 0.00 H new ATOM 0 HA LEU A 50 21.558 26.066 16.033 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.457 25.191 16.240 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.539 25.587 14.800 1.00 0.00 H new ATOM 0 HG LEU A 50 24.446 27.525 16.977 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.689 28.571 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.171 26.872 15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.069 27.319 13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.361 29.290 15.604 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.733 28.042 14.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.167 28.106 16.187 1.00 0.00 H new ATOM 813 N GLU A 51 21.093 23.664 16.265 1.00 0.00 N ATOM 814 CA GLU A 51 20.725 22.258 16.446 1.00 0.00 C ATOM 815 C GLU A 51 21.514 21.344 15.513 1.00 0.00 C ATOM 816 O GLU A 51 21.749 21.658 14.342 1.00 0.00 O ATOM 817 CB GLU A 51 19.220 22.077 16.186 1.00 0.00 C ATOM 818 CG GLU A 51 18.430 22.428 17.449 1.00 0.00 C ATOM 819 CD GLU A 51 16.936 22.251 17.199 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.591 21.688 16.173 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.160 22.678 18.038 1.00 0.00 O ATOM 0 H GLU A 51 20.492 24.177 15.620 1.00 0.00 H new ATOM 0 HA GLU A 51 20.964 21.982 17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.905 22.715 15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.014 21.048 15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.747 21.790 18.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.638 23.457 17.743 1.00 0.00 H new ATOM 828 N ASP A 52 21.901 20.195 16.046 1.00 0.00 N ATOM 829 CA ASP A 52 22.646 19.220 15.278 1.00 0.00 C ATOM 830 C ASP A 52 21.805 18.691 14.120 1.00 0.00 C ATOM 831 O ASP A 52 20.620 18.399 14.284 1.00 0.00 O ATOM 832 CB ASP A 52 23.062 18.059 16.183 1.00 0.00 C ATOM 833 CG ASP A 52 23.935 18.572 17.323 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.784 19.409 17.062 1.00 0.00 O ATOM 835 OD2 ASP A 52 23.741 18.124 18.441 1.00 0.00 O ATOM 0 H ASP A 52 21.709 19.918 17.009 1.00 0.00 H new ATOM 0 HA ASP A 52 23.534 19.704 14.872 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.177 17.566 16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.607 17.313 15.604 1.00 0.00 H new ATOM 840 N GLY A 53 22.427 18.560 12.951 1.00 0.00 N ATOM 841 CA GLY A 53 21.733 18.051 11.769 1.00 0.00 C ATOM 842 C GLY A 53 21.216 19.184 10.883 1.00 0.00 C ATOM 843 O GLY A 53 20.755 18.934 9.769 1.00 0.00 O ATOM 0 H GLY A 53 23.407 18.798 12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.410 17.420 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.898 17.423 12.080 1.00 0.00 H new ATOM 847 N ARG A 54 21.299 20.430 11.362 1.00 0.00 N ATOM 848 CA ARG A 54 20.836 21.573 10.568 1.00 0.00 C ATOM 849 C ARG A 54 22.003 22.218 9.820 1.00 0.00 C ATOM 850 O ARG A 54 23.160 22.071 10.210 1.00 0.00 O ATOM 851 CB ARG A 54 20.185 22.615 11.480 1.00 0.00 C ATOM 852 CG ARG A 54 19.141 21.938 12.373 1.00 0.00 C ATOM 853 CD ARG A 54 18.087 21.242 11.502 1.00 0.00 C ATOM 854 NE ARG A 54 16.854 21.056 12.252 1.00 0.00 N ATOM 855 CZ ARG A 54 15.803 20.463 11.697 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.695 20.335 12.372 1.00 0.00 N ATOM 857 NH2 ARG A 54 15.884 19.999 10.480 1.00 0.00 N ATOM 0 H ARG A 54 21.675 20.670 12.279 1.00 0.00 H new ATOM 0 HA ARG A 54 20.106 21.211 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.944 23.100 12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.715 23.394 10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.624 21.211 13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.664 22.678 13.016 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.892 21.838 10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.464 20.277 11.164 1.00 0.00 H new ATOM 0 HE ARG A 54 16.796 21.385 13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.635 20.690 13.326 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.888 19.880 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.754 20.092 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.077 19.543 10.053 1.00 0.00 H new ATOM 871 N THR A 55 21.686 22.937 8.743 1.00 0.00 N ATOM 872 CA THR A 55 22.707 23.619 7.941 1.00 0.00 C ATOM 873 C THR A 55 22.718 25.103 8.288 1.00 0.00 C ATOM 874 O THR A 55 21.743 25.618 8.828 1.00 0.00 O ATOM 875 CB THR A 55 22.407 23.444 6.451 1.00 0.00 C ATOM 876 OG1 THR A 55 21.054 23.796 6.201 1.00 0.00 O ATOM 877 CG2 THR A 55 22.643 21.986 6.045 1.00 0.00 C ATOM 0 H THR A 55 20.732 23.063 8.405 1.00 0.00 H new ATOM 0 HA THR A 55 23.682 23.185 8.161 1.00 0.00 H new ATOM 0 HB THR A 55 23.066 24.088 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.734 24.390 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.428 21.865 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.682 21.718 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.987 21.336 6.624 1.00 0.00 H new ATOM 885 N LEU A 56 23.810 25.796 7.977 1.00 0.00 N ATOM 886 CA LEU A 56 23.883 27.223 8.281 1.00 0.00 C ATOM 887 C LEU A 56 22.701 27.954 7.635 1.00 0.00 C ATOM 888 O LEU A 56 22.127 28.862 8.238 1.00 0.00 O ATOM 889 CB LEU A 56 25.229 27.826 7.796 1.00 0.00 C ATOM 890 CG LEU A 56 26.227 27.943 8.964 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.652 26.546 9.423 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.458 28.739 8.506 1.00 0.00 C ATOM 0 H LEU A 56 24.638 25.406 7.526 1.00 0.00 H new ATOM 0 HA LEU A 56 23.831 27.351 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.652 27.199 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.056 28.810 7.359 1.00 0.00 H new ATOM 0 HG LEU A 56 25.752 28.461 9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.358 26.633 10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.775 25.989 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.126 26.020 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.165 28.823 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.934 28.225 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.150 29.736 8.190 1.00 0.00 H new ATOM 904 N SER A 57 22.343 27.567 6.408 1.00 0.00 N ATOM 905 CA SER A 57 21.229 28.213 5.714 1.00 0.00 C ATOM 906 C SER A 57 20.036 28.359 6.648 1.00 0.00 C ATOM 907 O SER A 57 19.287 29.333 6.562 1.00 0.00 O ATOM 908 CB SER A 57 20.813 27.402 4.488 1.00 0.00 C ATOM 909 OG SER A 57 20.345 26.128 4.904 1.00 0.00 O ATOM 0 H SER A 57 22.800 26.822 5.883 1.00 0.00 H new ATOM 0 HA SER A 57 21.561 29.200 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.032 27.927 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.658 27.288 3.810 1.00 0.00 H new ATOM 0 HG SER A 57 21.078 25.631 5.322 1.00 0.00 H new ATOM 915 N ASP A 58 19.871 27.398 7.550 1.00 0.00 N ATOM 916 CA ASP A 58 18.772 27.449 8.501 1.00 0.00 C ATOM 917 C ASP A 58 18.861 28.743 9.298 1.00 0.00 C ATOM 918 O ASP A 58 17.871 29.452 9.480 1.00 0.00 O ATOM 919 CB ASP A 58 18.851 26.252 9.454 1.00 0.00 C ATOM 920 CG ASP A 58 18.716 24.948 8.674 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.720 24.479 8.160 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.611 24.435 8.604 1.00 0.00 O ATOM 0 H ASP A 58 20.478 26.583 7.641 1.00 0.00 H new ATOM 0 HA ASP A 58 17.825 27.412 7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.800 26.267 9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.061 26.320 10.202 1.00 0.00 H new ATOM 927 N TYR A 59 20.074 29.044 9.756 1.00 0.00 N ATOM 928 CA TYR A 59 20.345 30.255 10.527 1.00 0.00 C ATOM 929 C TYR A 59 20.992 31.304 9.626 1.00 0.00 C ATOM 930 O TYR A 59 22.171 31.193 9.329 1.00 0.00 O ATOM 931 CB TYR A 59 21.316 29.916 11.661 1.00 0.00 C ATOM 932 CG TYR A 59 20.749 28.803 12.511 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.185 27.483 12.330 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.788 29.093 13.485 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.659 26.456 13.124 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.262 28.068 14.278 1.00 0.00 C ATOM 937 CZ TYR A 59 19.697 26.749 14.098 1.00 0.00 C ATOM 938 OH TYR A 59 19.179 25.738 14.882 1.00 0.00 O ATOM 0 H TYR A 59 20.894 28.457 9.604 1.00 0.00 H new ATOM 0 HA TYR A 59 19.410 30.644 10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.279 29.615 11.249 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.494 30.799 12.275 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.927 27.258 11.578 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.452 30.110 13.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.995 25.439 12.985 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.520 28.294 15.030 1.00 0.00 H new ATOM 0 HH TYR A 59 18.524 26.112 15.508 1.00 0.00 H new ATOM 948 N ASN A 60 20.196 32.268 9.143 1.00 0.00 N ATOM 949 CA ASN A 60 20.685 33.306 8.212 1.00 0.00 C ATOM 950 C ASN A 60 22.013 33.957 8.649 1.00 0.00 C ATOM 951 O ASN A 60 22.068 35.153 8.939 1.00 0.00 O ATOM 952 CB ASN A 60 19.623 34.401 8.042 1.00 0.00 C ATOM 953 CG ASN A 60 18.291 33.785 7.616 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.370 33.682 8.425 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.132 33.375 6.386 1.00 0.00 N ATOM 0 H ASN A 60 19.208 32.354 9.380 1.00 0.00 H new ATOM 0 HA ASN A 60 20.875 32.796 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.497 34.944 8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.952 35.124 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.243 32.969 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.897 33.461 5.717 1.00 0.00 H new ATOM 962 N ILE A 61 23.074 33.152 8.663 1.00 0.00 N ATOM 963 CA ILE A 61 24.417 33.610 9.022 1.00 0.00 C ATOM 964 C ILE A 61 25.202 33.889 7.739 1.00 0.00 C ATOM 965 O ILE A 61 25.693 32.962 7.097 1.00 0.00 O ATOM 966 CB ILE A 61 25.140 32.513 9.818 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.464 32.320 11.180 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.608 32.903 10.026 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.068 31.090 11.874 1.00 0.00 C ATOM 0 H ILE A 61 23.027 32.161 8.425 1.00 0.00 H new ATOM 0 HA ILE A 61 24.346 34.514 9.627 1.00 0.00 H new ATOM 0 HB ILE A 61 25.089 31.580 9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.605 33.207 11.798 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.390 32.189 11.051 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.116 32.121 10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.093 33.024 9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.660 33.842 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.591 30.948 12.844 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.905 30.207 11.256 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.138 31.241 12.015 1.00 0.00 H new ATOM 981 N GLN A 62 25.306 35.160 7.351 1.00 0.00 N ATOM 982 CA GLN A 62 26.023 35.509 6.116 1.00 0.00 C ATOM 983 C GLN A 62 27.522 35.650 6.340 1.00 0.00 C ATOM 984 O GLN A 62 28.019 35.508 7.458 1.00 0.00 O ATOM 985 CB GLN A 62 25.476 36.804 5.525 1.00 0.00 C ATOM 986 CG GLN A 62 24.053 36.569 5.016 1.00 0.00 C ATOM 987 CD GLN A 62 23.558 37.803 4.273 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.718 38.924 4.755 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.966 37.664 3.120 1.00 0.00 N ATOM 0 H GLN A 62 24.914 35.953 7.859 1.00 0.00 H new ATOM 0 HA GLN A 62 25.862 34.688 5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.479 37.591 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.115 37.143 4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.032 35.703 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.390 36.347 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.835 36.734 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.634 38.486 2.615 1.00 0.00 H new ATOM 998 N LYS A 63 28.235 35.907 5.245 1.00 0.00 N ATOM 999 CA LYS A 63 29.683 36.038 5.295 1.00 0.00 C ATOM 1000 C LYS A 63 30.121 37.247 6.117 1.00 0.00 C ATOM 1001 O LYS A 63 29.430 38.266 6.184 1.00 0.00 O ATOM 1002 CB LYS A 63 30.269 36.120 3.875 1.00 0.00 C ATOM 1003 CG LYS A 63 29.684 37.305 3.096 1.00 0.00 C ATOM 1004 CD LYS A 63 30.317 37.333 1.699 1.00 0.00 C ATOM 1005 CE LYS A 63 29.776 38.518 0.895 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.397 38.518 -0.463 1.00 0.00 N ATOM 0 H LYS A 63 27.831 36.028 4.316 1.00 0.00 H new ATOM 0 HA LYS A 63 30.069 35.147 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.353 36.220 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.062 35.193 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.601 37.209 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.885 38.239 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.401 37.407 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.102 36.401 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.691 38.451 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.999 39.453 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.031 39.322 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.430 38.601 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.163 37.630 -0.952 1.00 0.00 H new ATOM 1020 N GLU A 64 31.293 37.109 6.727 1.00 0.00 N ATOM 1021 CA GLU A 64 31.878 38.166 7.546 1.00 0.00 C ATOM 1022 C GLU A 64 30.942 38.595 8.675 1.00 0.00 C ATOM 1023 O GLU A 64 30.525 39.752 8.746 1.00 0.00 O ATOM 1024 CB GLU A 64 32.235 39.367 6.666 1.00 0.00 C ATOM 1025 CG GLU A 64 33.305 38.938 5.658 1.00 0.00 C ATOM 1026 CD GLU A 64 33.586 40.064 4.671 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.701 40.875 4.458 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.684 40.098 4.139 1.00 0.00 O ATOM 0 H GLU A 64 31.863 36.265 6.669 1.00 0.00 H new ATOM 0 HA GLU A 64 32.783 37.770 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.349 39.730 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.603 40.189 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.221 38.669 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.973 38.050 5.121 1.00 0.00 H new ATOM 1049 N THR A 66 29.937 37.585 13.169 1.00 0.00 N ATOM 1050 CA THR A 66 30.538 37.056 14.402 1.00 0.00 C ATOM 1051 C THR A 66 29.483 36.360 15.260 1.00 0.00 C ATOM 1052 O THR A 66 28.379 36.871 15.440 1.00 0.00 O ATOM 1053 CB THR A 66 31.190 38.189 15.200 1.00 0.00 C ATOM 1054 OG1 THR A 66 32.112 38.879 14.367 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.932 37.601 16.403 1.00 0.00 C ATOM 0 HA THR A 66 31.300 36.327 14.126 1.00 0.00 H new ATOM 0 HB THR A 66 30.423 38.881 15.548 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.852 38.767 13.429 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.397 38.406 16.973 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.227 37.066 17.040 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.701 36.912 16.055 1.00 0.00 H new ATOM 1063 N LEU A 67 29.846 35.194 15.797 1.00 0.00 N ATOM 1064 CA LEU A 67 28.950 34.416 16.657 1.00 0.00 C ATOM 1065 C LEU A 67 29.590 34.240 18.027 1.00 0.00 C ATOM 1066 O LEU A 67 30.754 34.587 18.217 1.00 0.00 O ATOM 1067 CB LEU A 67 28.686 33.049 16.028 1.00 0.00 C ATOM 1068 CG LEU A 67 30.038 32.350 15.679 1.00 0.00 C ATOM 1069 CD1 LEU A 67 30.189 31.064 16.495 1.00 0.00 C ATOM 1070 CD2 LEU A 67 30.080 32.012 14.179 1.00 0.00 C ATOM 0 H LEU A 67 30.760 34.765 15.651 1.00 0.00 H new ATOM 0 HA LEU A 67 28.003 34.945 16.766 1.00 0.00 H new ATOM 0 HB2 LEU A 67 28.113 32.428 16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 67 28.084 33.165 15.127 1.00 0.00 H new ATOM 0 HG LEU A 67 30.857 33.028 15.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 31.135 30.583 16.245 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.174 31.304 17.558 1.00 0.00 H new ATOM 0 HD13 LEU A 67 29.366 30.388 16.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 31.026 31.525 13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.255 31.343 13.934 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.989 32.929 13.597 1.00 0.00 H new ATOM 1082 N HIS A 68 28.834 33.705 18.983 1.00 0.00 N ATOM 1083 CA HIS A 68 29.358 33.497 20.337 1.00 0.00 C ATOM 1084 C HIS A 68 29.672 32.019 20.580 1.00 0.00 C ATOM 1085 O HIS A 68 28.807 31.160 20.401 1.00 0.00 O ATOM 1086 CB HIS A 68 28.331 33.969 21.368 1.00 0.00 C ATOM 1087 CG HIS A 68 28.272 35.474 21.376 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.320 36.180 20.655 1.00 0.00 N ATOM 1089 CD2 HIS A 68 29.041 36.421 22.007 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.541 37.490 20.867 1.00 0.00 C ATOM 1091 NE2 HIS A 68 28.577 37.692 21.684 1.00 0.00 N ATOM 0 H HIS A 68 27.867 33.409 18.851 1.00 0.00 H new ATOM 0 HA HIS A 68 30.278 34.073 20.438 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.349 33.559 21.131 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.600 33.601 22.358 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.879 36.211 22.655 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.952 38.282 20.429 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.949 38.587 22.003 1.00 0.00 H new ATOM 1100 N LEU A 69 30.912 31.718 20.999 1.00 0.00 N ATOM 1101 CA LEU A 69 31.320 30.354 21.277 1.00 0.00 C ATOM 1102 C LEU A 69 31.482 30.202 22.776 1.00 0.00 C ATOM 1103 O LEU A 69 32.362 30.802 23.391 1.00 0.00 O ATOM 1104 CB LEU A 69 32.644 30.048 20.565 1.00 0.00 C ATOM 1105 CG LEU A 69 32.867 28.533 20.493 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.113 28.243 19.651 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.053 27.956 21.908 1.00 0.00 C ATOM 0 H LEU A 69 31.644 32.413 21.150 1.00 0.00 H new ATOM 0 HA LEU A 69 30.568 29.654 20.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.631 30.469 19.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.470 30.520 21.098 1.00 0.00 H new ATOM 0 HG LEU A 69 31.996 28.065 20.034 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.274 27.166 19.598 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.973 28.639 18.645 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.981 28.717 20.110 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.211 26.879 21.844 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.918 28.422 22.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.162 28.158 22.503 1.00 0.00 H new ATOM 1119 N VAL A 70 30.615 29.395 23.343 1.00 0.00 N ATOM 1120 CA VAL A 70 30.618 29.131 24.780 1.00 0.00 C ATOM 1121 C VAL A 70 30.791 27.642 25.025 1.00 0.00 C ATOM 1122 O VAL A 70 30.372 26.823 24.209 1.00 0.00 O ATOM 1123 CB VAL A 70 29.305 29.609 25.399 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.365 29.450 26.921 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.090 31.083 25.050 1.00 0.00 C ATOM 0 H VAL A 70 29.886 28.900 22.830 1.00 0.00 H new ATOM 0 HA VAL A 70 31.445 29.670 25.242 1.00 0.00 H new ATOM 0 HB VAL A 70 28.480 29.014 25.007 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.428 29.792 27.360 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.522 28.401 27.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.189 30.044 27.317 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.154 31.428 25.490 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.916 31.675 25.444 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.046 31.198 23.967 1.00 0.00 H new