USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 7 THR OG1 : rot -66:sc= 1.59 USER MOD Set 1.2: A 9 THR OG1 : rot -11:sc= 0.145 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0859) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0229 (180deg=-0.399) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.0717 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0454 (180deg=-0.405) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0118 (180deg=-0.196) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.09 F(o=-2,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-1.37) USER MOD Single : A 40 GLN : amide:sc= -1.97 K(o=-2,f=-11!) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.93! C(o=-3.6!,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -4.44 F(o=-8.1!,f=-4.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.511 USER MOD Single : A 60 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.49) USER MOD Single : A 62 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.161 (180deg=-0.69) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 68 HIS : no HD1:sc= -4.01! C(o=-4!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.440 27.357 2.961 1.00 0.00 N ATOM 21 CA GLN A 2 28.670 28.625 3.643 1.00 0.00 C ATOM 22 C GLN A 2 27.757 28.754 4.860 1.00 0.00 C ATOM 23 O GLN A 2 26.535 28.831 4.726 1.00 0.00 O ATOM 24 CB GLN A 2 28.418 29.782 2.675 1.00 0.00 C ATOM 25 CG GLN A 2 27.218 29.446 1.784 1.00 0.00 C ATOM 26 CD GLN A 2 26.921 30.613 0.852 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.831 31.351 0.471 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.696 30.826 0.458 1.00 0.00 N ATOM 0 HA GLN A 2 29.705 28.657 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.227 30.700 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.302 29.958 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.426 28.548 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.345 29.231 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.945 30.213 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.490 31.605 -0.167 1.00 0.00 H new ATOM 37 N ILE A 3 28.361 28.779 6.043 1.00 0.00 N ATOM 38 CA ILE A 3 27.600 28.899 7.287 1.00 0.00 C ATOM 39 C ILE A 3 27.625 30.337 7.802 1.00 0.00 C ATOM 40 O ILE A 3 28.602 31.059 7.612 1.00 0.00 O ATOM 41 CB ILE A 3 28.176 27.960 8.351 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.611 28.375 8.704 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.186 26.527 7.816 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.134 27.495 9.841 1.00 0.00 C ATOM 0 H ILE A 3 29.371 28.718 6.170 1.00 0.00 H new ATOM 0 HA ILE A 3 26.567 28.620 7.081 1.00 0.00 H new ATOM 0 HB ILE A 3 27.555 28.019 9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.254 28.277 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.635 29.423 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.596 25.859 8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.168 26.221 7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.801 26.478 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.153 27.791 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.496 27.615 10.717 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.126 26.451 9.527 1.00 0.00 H new ATOM 56 N PHE A 4 26.544 30.740 8.456 1.00 0.00 N ATOM 57 CA PHE A 4 26.431 32.095 9.001 1.00 0.00 C ATOM 58 C PHE A 4 26.837 32.118 10.470 1.00 0.00 C ATOM 59 O PHE A 4 26.346 31.313 11.260 1.00 0.00 O ATOM 60 CB PHE A 4 24.986 32.578 8.871 1.00 0.00 C ATOM 61 CG PHE A 4 24.687 32.921 7.430 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.425 31.901 6.508 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.665 34.259 7.019 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.141 32.218 5.175 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.382 34.577 5.686 1.00 0.00 C ATOM 66 CZ PHE A 4 24.119 33.556 4.764 1.00 0.00 C ATOM 0 H PHE A 4 25.729 30.150 8.625 1.00 0.00 H new ATOM 0 HA PHE A 4 27.096 32.752 8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.302 31.804 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.827 33.452 9.503 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.442 30.869 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.866 35.046 7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.939 31.431 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.366 35.609 5.368 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.899 33.801 3.735 1.00 0.00 H new ATOM 76 N VAL A 5 27.723 33.051 10.842 1.00 0.00 N ATOM 77 CA VAL A 5 28.170 33.170 12.230 1.00 0.00 C ATOM 78 C VAL A 5 27.682 34.476 12.835 1.00 0.00 C ATOM 79 O VAL A 5 28.034 35.565 12.380 1.00 0.00 O ATOM 80 CB VAL A 5 29.699 33.100 12.300 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.179 33.511 13.700 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.134 31.661 12.028 1.00 0.00 C ATOM 0 H VAL A 5 28.140 33.729 10.204 1.00 0.00 H new ATOM 0 HA VAL A 5 27.750 32.342 12.801 1.00 0.00 H new ATOM 0 HB VAL A 5 30.130 33.776 11.561 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.267 33.459 13.742 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.857 34.531 13.910 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.755 32.836 14.443 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.221 31.595 12.074 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.698 31.001 12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.794 31.359 11.037 1.00 0.00 H new ATOM 92 N LYS A 6 26.860 34.340 13.855 1.00 0.00 N ATOM 93 CA LYS A 6 26.293 35.493 14.542 1.00 0.00 C ATOM 94 C LYS A 6 27.147 35.880 15.751 1.00 0.00 C ATOM 95 O LYS A 6 27.174 35.170 16.756 1.00 0.00 O ATOM 96 CB LYS A 6 24.880 35.131 14.985 1.00 0.00 C ATOM 97 CG LYS A 6 24.091 36.383 15.351 1.00 0.00 C ATOM 98 CD LYS A 6 22.630 35.983 15.578 1.00 0.00 C ATOM 99 CE LYS A 6 21.775 37.226 15.816 1.00 0.00 C ATOM 100 NZ LYS A 6 22.111 37.811 17.143 1.00 0.00 N ATOM 0 H LYS A 6 26.565 33.439 14.232 1.00 0.00 H new ATOM 0 HA LYS A 6 26.270 36.350 13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.369 34.595 14.185 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.923 34.459 15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.503 36.842 16.250 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.162 37.123 14.554 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.256 35.436 14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.557 35.313 16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.951 37.958 15.028 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.717 36.966 15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.430 38.562 17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.068 37.069 17.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.070 38.211 17.113 1.00 0.00 H new ATOM 114 N THR A 7 27.850 37.006 15.642 1.00 0.00 N ATOM 115 CA THR A 7 28.706 37.474 16.733 1.00 0.00 C ATOM 116 C THR A 7 27.853 38.048 17.862 1.00 0.00 C ATOM 117 O THR A 7 26.667 38.317 17.677 1.00 0.00 O ATOM 118 CB THR A 7 29.689 38.532 16.225 1.00 0.00 C ATOM 119 OG1 THR A 7 28.986 39.729 15.928 1.00 0.00 O ATOM 120 CG2 THR A 7 30.395 38.019 14.962 1.00 0.00 C ATOM 0 H THR A 7 27.845 37.607 14.818 1.00 0.00 H new ATOM 0 HA THR A 7 29.275 36.627 17.116 1.00 0.00 H new ATOM 0 HB THR A 7 30.434 38.732 16.995 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.382 39.575 15.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.094 38.775 14.603 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.939 37.104 15.196 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.654 37.814 14.189 1.00 0.00 H new ATOM 128 N LEU A 8 28.451 38.258 19.031 1.00 0.00 N ATOM 129 CA LEU A 8 27.708 38.802 20.162 1.00 0.00 C ATOM 130 C LEU A 8 27.421 40.289 19.972 1.00 0.00 C ATOM 131 O LEU A 8 26.451 40.812 20.518 1.00 0.00 O ATOM 132 CB LEU A 8 28.507 38.598 21.458 1.00 0.00 C ATOM 133 CG LEU A 8 29.996 38.967 21.228 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.573 39.640 22.480 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.809 37.699 20.923 1.00 0.00 C ATOM 0 H LEU A 8 29.434 38.063 19.219 1.00 0.00 H new ATOM 0 HA LEU A 8 26.757 38.273 20.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.090 39.216 22.253 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.427 37.561 21.785 1.00 0.00 H new ATOM 0 HG LEU A 8 30.056 39.655 20.384 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.619 39.895 22.307 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.010 40.547 22.698 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.501 38.957 23.326 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.853 37.966 20.763 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.736 37.009 21.764 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.415 37.221 20.026 1.00 0.00 H new ATOM 147 N THR A 9 28.266 40.968 19.203 1.00 0.00 N ATOM 148 CA THR A 9 28.074 42.394 18.967 1.00 0.00 C ATOM 149 C THR A 9 26.858 42.627 18.079 1.00 0.00 C ATOM 150 O THR A 9 26.465 43.769 17.840 1.00 0.00 O ATOM 151 CB THR A 9 29.316 42.994 18.304 1.00 0.00 C ATOM 152 OG1 THR A 9 29.594 42.295 17.099 1.00 0.00 O ATOM 153 CG2 THR A 9 30.511 42.879 19.252 1.00 0.00 C ATOM 0 H THR A 9 29.078 40.562 18.739 1.00 0.00 H new ATOM 0 HA THR A 9 27.911 42.881 19.928 1.00 0.00 H new ATOM 0 HB THR A 9 29.135 44.045 18.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.045 41.484 17.057 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.394 43.307 18.778 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.297 43.419 20.174 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.695 41.829 19.480 1.00 0.00 H new ATOM 161 N GLY A 10 26.262 41.539 17.590 1.00 0.00 N ATOM 162 CA GLY A 10 25.089 41.646 16.729 1.00 0.00 C ATOM 163 C GLY A 10 25.499 41.757 15.266 1.00 0.00 C ATOM 164 O GLY A 10 24.665 42.012 14.397 1.00 0.00 O ATOM 0 H GLY A 10 26.570 40.584 17.774 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.450 40.773 16.867 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.502 42.519 17.014 1.00 0.00 H new ATOM 168 N LYS A 11 26.782 41.529 14.992 1.00 0.00 N ATOM 169 CA LYS A 11 27.285 41.571 13.621 1.00 0.00 C ATOM 170 C LYS A 11 27.226 40.175 13.017 1.00 0.00 C ATOM 171 O LYS A 11 27.535 39.189 13.687 1.00 0.00 O ATOM 172 CB LYS A 11 28.725 42.088 13.595 1.00 0.00 C ATOM 173 CG LYS A 11 28.768 43.512 14.162 1.00 0.00 C ATOM 174 CD LYS A 11 30.215 44.013 14.189 1.00 0.00 C ATOM 175 CE LYS A 11 30.259 45.420 14.788 1.00 0.00 C ATOM 176 NZ LYS A 11 29.550 46.368 13.883 1.00 0.00 N ATOM 0 H LYS A 11 27.488 41.315 15.696 1.00 0.00 H new ATOM 0 HA LYS A 11 26.663 42.249 13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.369 41.432 14.181 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.107 42.080 12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.155 44.175 13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.349 43.526 15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.834 43.336 14.778 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.626 44.023 13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.792 45.422 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.293 45.736 14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.817 47.344 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.815 46.170 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.523 46.252 13.995 1.00 0.00 H new ATOM 190 N THR A 12 26.828 40.091 11.753 1.00 0.00 N ATOM 191 CA THR A 12 26.728 38.801 11.071 1.00 0.00 C ATOM 192 C THR A 12 27.768 38.698 9.962 1.00 0.00 C ATOM 193 O THR A 12 27.838 39.557 9.084 1.00 0.00 O ATOM 194 CB THR A 12 25.335 38.656 10.457 1.00 0.00 C ATOM 195 OG1 THR A 12 24.356 39.029 11.417 1.00 0.00 O ATOM 196 CG2 THR A 12 25.106 37.202 10.032 1.00 0.00 C ATOM 0 H THR A 12 26.570 40.894 11.180 1.00 0.00 H new ATOM 0 HA THR A 12 26.904 38.010 11.800 1.00 0.00 H new ATOM 0 HB THR A 12 25.256 39.303 9.583 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.462 38.938 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.112 37.103 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.857 36.916 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.186 36.551 10.903 1.00 0.00 H new ATOM 204 N ILE A 13 28.575 37.639 10.000 1.00 0.00 N ATOM 205 CA ILE A 13 29.605 37.428 8.979 1.00 0.00 C ATOM 206 C ILE A 13 29.544 35.991 8.479 1.00 0.00 C ATOM 207 O ILE A 13 29.463 35.048 9.266 1.00 0.00 O ATOM 208 CB ILE A 13 30.993 37.708 9.554 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.046 37.630 8.434 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.307 36.673 10.634 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.448 37.706 9.038 1.00 0.00 C ATOM 0 H ILE A 13 28.538 36.918 10.720 1.00 0.00 H new ATOM 0 HA ILE A 13 29.421 38.113 8.151 1.00 0.00 H new ATOM 0 HB ILE A 13 31.013 38.707 9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.930 36.701 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.900 38.446 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.296 36.868 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.562 36.738 11.427 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.286 35.674 10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.191 37.650 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.562 38.647 9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.593 36.874 9.728 1.00 0.00 H new ATOM 223 N THR A 14 29.546 35.835 7.163 1.00 0.00 N ATOM 224 CA THR A 14 29.455 34.511 6.554 1.00 0.00 C ATOM 225 C THR A 14 30.821 33.830 6.508 1.00 0.00 C ATOM 226 O THR A 14 31.855 34.475 6.323 1.00 0.00 O ATOM 227 CB THR A 14 28.878 34.630 5.138 1.00 0.00 C ATOM 228 OG1 THR A 14 27.747 35.490 5.168 1.00 0.00 O ATOM 229 CG2 THR A 14 28.450 33.247 4.631 1.00 0.00 C ATOM 0 H THR A 14 29.609 36.604 6.496 1.00 0.00 H new ATOM 0 HA THR A 14 28.793 33.897 7.165 1.00 0.00 H new ATOM 0 HB THR A 14 29.638 35.037 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.940 34.963 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.041 33.339 3.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.314 32.583 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.690 32.835 5.295 1.00 0.00 H new ATOM 237 N LEU A 15 30.796 32.515 6.704 1.00 0.00 N ATOM 238 CA LEU A 15 32.006 31.693 6.716 1.00 0.00 C ATOM 239 C LEU A 15 31.939 30.619 5.626 1.00 0.00 C ATOM 240 O LEU A 15 30.959 29.882 5.528 1.00 0.00 O ATOM 241 CB LEU A 15 32.127 31.024 8.109 1.00 0.00 C ATOM 242 CG LEU A 15 33.553 31.143 8.668 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.768 32.550 9.232 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.743 30.116 9.790 1.00 0.00 C ATOM 0 H LEU A 15 29.937 31.987 6.859 1.00 0.00 H new ATOM 0 HA LEU A 15 32.876 32.320 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.424 31.490 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.851 29.972 8.034 1.00 0.00 H new ATOM 0 HG LEU A 15 34.272 30.957 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.780 32.632 9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.627 33.285 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.050 32.736 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.754 30.197 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.022 30.308 10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.588 29.112 9.394 1.00 0.00 H new ATOM 256 N GLU A 16 33.002 30.516 4.838 1.00 0.00 N ATOM 257 CA GLU A 16 33.070 29.501 3.784 1.00 0.00 C ATOM 258 C GLU A 16 33.787 28.276 4.335 1.00 0.00 C ATOM 259 O GLU A 16 34.923 28.376 4.800 1.00 0.00 O ATOM 260 CB GLU A 16 33.830 30.041 2.569 1.00 0.00 C ATOM 261 CG GLU A 16 33.901 28.957 1.490 1.00 0.00 C ATOM 262 CD GLU A 16 34.481 29.539 0.206 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.277 30.718 -0.030 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.122 28.799 -0.520 1.00 0.00 O ATOM 0 H GLU A 16 33.825 31.116 4.904 1.00 0.00 H new ATOM 0 HA GLU A 16 32.061 29.237 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.330 30.927 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.835 30.345 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.519 28.128 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.906 28.555 1.300 1.00 0.00 H new ATOM 271 N VAL A 17 33.126 27.120 4.289 1.00 0.00 N ATOM 272 CA VAL A 17 33.729 25.886 4.806 1.00 0.00 C ATOM 273 C VAL A 17 33.210 24.668 4.048 1.00 0.00 C ATOM 274 O VAL A 17 32.233 24.738 3.309 1.00 0.00 O ATOM 275 CB VAL A 17 33.438 25.749 6.318 1.00 0.00 C ATOM 276 CG1 VAL A 17 31.951 25.993 6.605 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.804 24.356 6.833 1.00 0.00 C ATOM 0 H VAL A 17 32.187 27.009 3.906 1.00 0.00 H new ATOM 0 HA VAL A 17 34.808 25.939 4.658 1.00 0.00 H new ATOM 0 HB VAL A 17 34.047 26.495 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.766 25.892 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.678 26.998 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.351 25.262 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.587 24.294 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.220 23.606 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.866 24.174 6.668 1.00 0.00 H new ATOM 287 N GLU A 18 33.876 23.553 4.279 1.00 0.00 N ATOM 288 CA GLU A 18 33.501 22.274 3.661 1.00 0.00 C ATOM 289 C GLU A 18 32.656 21.460 4.651 1.00 0.00 C ATOM 290 O GLU A 18 32.946 21.459 5.843 1.00 0.00 O ATOM 291 CB GLU A 18 34.751 21.486 3.279 1.00 0.00 C ATOM 292 CG GLU A 18 35.670 22.371 2.433 1.00 0.00 C ATOM 293 CD GLU A 18 36.857 21.558 1.933 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.087 20.488 2.473 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.520 22.015 1.016 1.00 0.00 O ATOM 0 H GLU A 18 34.688 23.497 4.894 1.00 0.00 H new ATOM 0 HA GLU A 18 32.921 22.469 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.273 21.153 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.474 20.592 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.117 22.781 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.021 23.216 3.025 1.00 0.00 H new ATOM 302 N PRO A 19 31.622 20.782 4.214 1.00 0.00 N ATOM 303 CA PRO A 19 30.757 19.994 5.145 1.00 0.00 C ATOM 304 C PRO A 19 31.516 18.847 5.810 1.00 0.00 C ATOM 305 O PRO A 19 30.998 18.191 6.713 1.00 0.00 O ATOM 306 CB PRO A 19 29.624 19.473 4.243 1.00 0.00 C ATOM 307 CG PRO A 19 30.195 19.486 2.861 1.00 0.00 C ATOM 308 CD PRO A 19 31.163 20.667 2.817 1.00 0.00 C ATOM 0 HA PRO A 19 30.393 20.598 5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.318 18.468 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.741 20.108 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.710 18.551 2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.408 19.598 2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.993 20.482 2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.670 21.579 2.479 1.00 0.00 H new ATOM 316 N SER A 20 32.743 18.608 5.358 1.00 0.00 N ATOM 317 CA SER A 20 33.566 17.535 5.915 1.00 0.00 C ATOM 318 C SER A 20 34.546 18.096 6.935 1.00 0.00 C ATOM 319 O SER A 20 35.000 17.382 7.830 1.00 0.00 O ATOM 320 CB SER A 20 34.320 16.826 4.789 1.00 0.00 C ATOM 321 OG SER A 20 35.151 15.813 5.342 1.00 0.00 O ATOM 0 H SER A 20 33.190 19.139 4.611 1.00 0.00 H new ATOM 0 HA SER A 20 32.919 16.816 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.614 16.388 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.923 17.543 4.232 1.00 0.00 H new ATOM 0 HG SER A 20 35.634 15.357 4.622 1.00 0.00 H new ATOM 327 N ASP A 21 34.904 19.367 6.778 1.00 0.00 N ATOM 328 CA ASP A 21 35.850 20.004 7.674 1.00 0.00 C ATOM 329 C ASP A 21 35.443 19.773 9.120 1.00 0.00 C ATOM 330 O ASP A 21 34.255 19.645 9.433 1.00 0.00 O ATOM 331 CB ASP A 21 35.880 21.510 7.379 1.00 0.00 C ATOM 332 CG ASP A 21 36.771 21.805 6.175 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.275 20.863 5.588 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.938 22.972 5.858 1.00 0.00 O ATOM 0 H ASP A 21 34.550 19.972 6.037 1.00 0.00 H new ATOM 0 HA ASP A 21 36.840 19.575 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.869 21.868 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.248 22.050 8.252 1.00 0.00 H new ATOM 339 N THR A 22 36.438 19.718 10.000 1.00 0.00 N ATOM 340 CA THR A 22 36.177 19.508 11.415 1.00 0.00 C ATOM 341 C THR A 22 35.815 20.827 12.091 1.00 0.00 C ATOM 342 O THR A 22 35.868 21.897 11.472 1.00 0.00 O ATOM 343 CB THR A 22 37.402 18.894 12.096 1.00 0.00 C ATOM 344 OG1 THR A 22 38.486 19.807 12.027 1.00 0.00 O ATOM 345 CG2 THR A 22 37.780 17.591 11.389 1.00 0.00 C ATOM 0 H THR A 22 37.424 19.815 9.758 1.00 0.00 H new ATOM 0 HA THR A 22 35.337 18.821 11.511 1.00 0.00 H new ATOM 0 HB THR A 22 37.172 18.683 13.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.271 19.416 12.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.653 17.154 11.874 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.946 16.892 11.444 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.011 17.798 10.344 1.00 0.00 H new ATOM 353 N ILE A 23 35.473 20.754 13.367 1.00 0.00 N ATOM 354 CA ILE A 23 35.136 21.963 14.105 1.00 0.00 C ATOM 355 C ILE A 23 36.399 22.784 14.342 1.00 0.00 C ATOM 356 O ILE A 23 36.386 24.006 14.215 1.00 0.00 O ATOM 357 CB ILE A 23 34.464 21.605 15.434 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.365 20.562 15.192 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.839 22.855 16.055 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.450 21.009 14.044 1.00 0.00 C ATOM 0 H ILE A 23 35.421 19.889 13.906 1.00 0.00 H new ATOM 0 HA ILE A 23 34.434 22.558 13.521 1.00 0.00 H new ATOM 0 HB ILE A 23 35.215 21.199 16.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.815 19.598 14.953 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.779 20.424 16.101 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.363 22.593 17.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.615 23.599 16.234 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.093 23.265 15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.675 20.259 13.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.986 21.962 14.298 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.038 21.124 13.133 1.00 0.00 H new ATOM 372 N GLU A 24 37.498 22.105 14.657 1.00 0.00 N ATOM 373 CA GLU A 24 38.765 22.794 14.878 1.00 0.00 C ATOM 374 C GLU A 24 39.057 23.719 13.706 1.00 0.00 C ATOM 375 O GLU A 24 39.766 24.715 13.845 1.00 0.00 O ATOM 376 CB GLU A 24 39.900 21.780 15.025 1.00 0.00 C ATOM 377 CG GLU A 24 39.486 20.679 16.005 1.00 0.00 C ATOM 378 CD GLU A 24 38.968 21.296 17.301 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.781 21.786 18.067 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.765 21.279 17.501 1.00 0.00 O ATOM 0 H GLU A 24 37.538 21.091 14.764 1.00 0.00 H new ATOM 0 HA GLU A 24 38.692 23.379 15.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.140 21.345 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.801 22.278 15.382 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.713 20.054 15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.337 20.031 16.216 1.00 0.00 H new ATOM 387 N ASN A 25 38.473 23.395 12.559 1.00 0.00 N ATOM 388 CA ASN A 25 38.653 24.219 11.371 1.00 0.00 C ATOM 389 C ASN A 25 37.806 25.478 11.493 1.00 0.00 C ATOM 390 O ASN A 25 38.331 26.592 11.520 1.00 0.00 O ATOM 391 CB ASN A 25 38.247 23.451 10.111 1.00 0.00 C ATOM 392 CG ASN A 25 38.701 24.216 8.870 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.805 24.762 8.844 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.911 24.288 7.833 1.00 0.00 N ATOM 0 H ASN A 25 37.878 22.577 12.427 1.00 0.00 H new ATOM 0 HA ASN A 25 39.707 24.487 11.290 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.694 22.457 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.166 23.314 10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.208 24.797 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.997 23.836 7.856 1.00 0.00 H new ATOM 401 N VAL A 26 36.490 25.293 11.564 1.00 0.00 N ATOM 402 CA VAL A 26 35.578 26.428 11.685 1.00 0.00 C ATOM 403 C VAL A 26 36.057 27.381 12.766 1.00 0.00 C ATOM 404 O VAL A 26 35.812 28.587 12.707 1.00 0.00 O ATOM 405 CB VAL A 26 34.176 25.932 12.023 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.228 27.121 12.182 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.694 25.043 10.893 1.00 0.00 C ATOM 0 H VAL A 26 36.035 24.380 11.540 1.00 0.00 H new ATOM 0 HA VAL A 26 35.555 26.959 10.733 1.00 0.00 H new ATOM 0 HB VAL A 26 34.196 25.372 12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.228 26.760 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.585 27.766 12.985 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.194 27.687 11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.692 24.679 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.672 25.614 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.371 24.196 10.782 1.00 0.00 H new ATOM 417 N LYS A 27 36.758 26.829 13.741 1.00 0.00 N ATOM 418 CA LYS A 27 37.295 27.624 14.828 1.00 0.00 C ATOM 419 C LYS A 27 38.483 28.426 14.328 1.00 0.00 C ATOM 420 O LYS A 27 38.541 29.645 14.487 1.00 0.00 O ATOM 421 CB LYS A 27 37.744 26.706 15.968 1.00 0.00 C ATOM 422 CG LYS A 27 36.518 26.080 16.632 1.00 0.00 C ATOM 423 CD LYS A 27 36.953 25.189 17.807 1.00 0.00 C ATOM 424 CE LYS A 27 35.787 25.013 18.783 1.00 0.00 C ATOM 425 NZ LYS A 27 35.567 26.288 19.525 1.00 0.00 N ATOM 0 H LYS A 27 36.968 25.833 13.801 1.00 0.00 H new ATOM 0 HA LYS A 27 36.524 28.302 15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.401 25.926 15.583 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.318 27.273 16.701 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.847 26.862 16.987 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.962 25.490 15.904 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.280 24.217 17.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.804 25.637 18.320 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.883 24.734 18.241 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.002 24.205 19.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.094 26.086 20.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.483 26.746 19.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.971 26.922 18.956 1.00 0.00 H new ATOM 439 N ALA A 28 39.430 27.725 13.723 1.00 0.00 N ATOM 440 CA ALA A 28 40.625 28.363 13.199 1.00 0.00 C ATOM 441 C ALA A 28 40.257 29.530 12.284 1.00 0.00 C ATOM 442 O ALA A 28 40.967 30.534 12.236 1.00 0.00 O ATOM 443 CB ALA A 28 41.441 27.332 12.422 1.00 0.00 C ATOM 0 H ALA A 28 39.393 26.715 13.584 1.00 0.00 H new ATOM 0 HA ALA A 28 41.214 28.753 14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.340 27.804 12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.723 26.515 13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.843 26.940 11.599 1.00 0.00 H new ATOM 449 N LYS A 29 39.139 29.395 11.577 1.00 0.00 N ATOM 450 CA LYS A 29 38.689 30.460 10.690 1.00 0.00 C ATOM 451 C LYS A 29 38.269 31.680 11.512 1.00 0.00 C ATOM 452 O LYS A 29 38.854 32.756 11.388 1.00 0.00 O ATOM 453 CB LYS A 29 37.526 29.971 9.821 1.00 0.00 C ATOM 454 CG LYS A 29 38.079 29.194 8.616 1.00 0.00 C ATOM 455 CD LYS A 29 36.995 28.287 8.045 1.00 0.00 C ATOM 456 CE LYS A 29 37.587 27.418 6.932 1.00 0.00 C ATOM 457 NZ LYS A 29 37.959 28.280 5.774 1.00 0.00 N ATOM 0 H LYS A 29 38.537 28.572 11.600 1.00 0.00 H new ATOM 0 HA LYS A 29 39.511 30.746 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.864 29.333 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.932 30.818 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.425 29.889 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.941 28.600 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.582 27.656 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.173 28.887 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.464 26.885 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.864 26.664 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.152 27.683 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.176 28.929 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.810 28.830 6.010 1.00 0.00 H new ATOM 471 N ILE A 30 37.237 31.507 12.332 1.00 0.00 N ATOM 472 CA ILE A 30 36.727 32.586 13.155 1.00 0.00 C ATOM 473 C ILE A 30 37.857 33.258 13.943 1.00 0.00 C ATOM 474 O ILE A 30 37.874 34.476 14.092 1.00 0.00 O ATOM 475 CB ILE A 30 35.675 32.015 14.114 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.400 31.675 13.332 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.342 33.043 15.194 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.476 30.824 14.206 1.00 0.00 C ATOM 0 H ILE A 30 36.739 30.624 12.441 1.00 0.00 H new ATOM 0 HA ILE A 30 36.276 33.345 12.515 1.00 0.00 H new ATOM 0 HB ILE A 30 36.072 31.114 14.582 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.891 32.590 13.030 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.653 31.135 12.419 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.594 32.630 15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.244 33.287 15.755 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.950 33.947 14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.570 30.583 13.650 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.987 29.903 14.486 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.212 31.380 15.106 1.00 0.00 H new ATOM 490 N GLN A 31 38.790 32.460 14.448 1.00 0.00 N ATOM 491 CA GLN A 31 39.903 33.006 15.221 1.00 0.00 C ATOM 492 C GLN A 31 40.672 34.036 14.402 1.00 0.00 C ATOM 493 O GLN A 31 40.776 35.203 14.781 1.00 0.00 O ATOM 494 CB GLN A 31 40.854 31.880 15.644 1.00 0.00 C ATOM 495 CG GLN A 31 42.058 32.473 16.385 1.00 0.00 C ATOM 496 CD GLN A 31 42.883 31.360 17.022 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.699 30.124 16.645 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.714 31.623 17.891 1.00 0.00 N flip ATOM 0 H GLN A 31 38.801 31.446 14.340 1.00 0.00 H new ATOM 0 HA GLN A 31 39.496 33.491 16.108 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.332 31.172 16.287 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.191 31.326 14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.676 33.043 15.692 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.716 33.167 17.152 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.857 32.589 18.184 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.260 30.875 18.318 1.00 0.00 H new ATOM 507 N ASP A 32 41.225 33.578 13.294 1.00 0.00 N ATOM 508 CA ASP A 32 42.011 34.448 12.428 1.00 0.00 C ATOM 509 C ASP A 32 41.262 35.740 12.083 1.00 0.00 C ATOM 510 O ASP A 32 41.876 36.800 11.968 1.00 0.00 O ATOM 511 CB ASP A 32 42.385 33.704 11.142 1.00 0.00 C ATOM 512 CG ASP A 32 43.319 32.540 11.466 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.315 32.772 12.132 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.023 31.434 11.044 1.00 0.00 O ATOM 0 H ASP A 32 41.147 32.614 12.971 1.00 0.00 H new ATOM 0 HA ASP A 32 42.915 34.724 12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.485 33.333 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.870 34.387 10.445 1.00 0.00 H new ATOM 519 N LYS A 33 39.945 35.650 11.883 1.00 0.00 N ATOM 520 CA LYS A 33 39.157 36.830 11.515 1.00 0.00 C ATOM 521 C LYS A 33 38.788 37.719 12.712 1.00 0.00 C ATOM 522 O LYS A 33 38.702 38.938 12.566 1.00 0.00 O ATOM 523 CB LYS A 33 37.870 36.402 10.816 1.00 0.00 C ATOM 524 CG LYS A 33 38.195 35.598 9.555 1.00 0.00 C ATOM 525 CD LYS A 33 36.898 35.030 8.974 1.00 0.00 C ATOM 526 CE LYS A 33 37.192 34.303 7.659 1.00 0.00 C ATOM 527 NZ LYS A 33 35.940 33.673 7.146 1.00 0.00 N ATOM 0 H LYS A 33 39.408 34.787 11.968 1.00 0.00 H new ATOM 0 HA LYS A 33 39.791 37.418 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.263 35.801 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.280 37.281 10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.689 36.234 8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.886 34.789 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.441 34.343 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.183 35.834 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.586 35.005 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.957 33.542 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.993 33.589 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.830 32.728 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.123 34.263 7.404 1.00 0.00 H new ATOM 541 N GLU A 34 38.519 37.119 13.878 1.00 0.00 N ATOM 542 CA GLU A 34 38.103 37.901 15.058 1.00 0.00 C ATOM 543 C GLU A 34 39.186 37.976 16.135 1.00 0.00 C ATOM 544 O GLU A 34 38.988 38.620 17.164 1.00 0.00 O ATOM 545 CB GLU A 34 36.845 37.273 15.672 1.00 0.00 C ATOM 546 CG GLU A 34 35.777 37.089 14.595 1.00 0.00 C ATOM 547 CD GLU A 34 35.332 38.447 14.064 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.530 39.428 14.763 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.800 38.487 12.968 1.00 0.00 O ATOM 0 H GLU A 34 38.579 36.113 14.033 1.00 0.00 H new ATOM 0 HA GLU A 34 37.909 38.916 14.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.091 36.311 16.121 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.463 37.909 16.470 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.172 36.482 13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.922 36.553 15.007 1.00 0.00 H new ATOM 556 N GLY A 35 40.346 37.383 15.893 1.00 0.00 N ATOM 557 CA GLY A 35 41.434 37.451 16.865 1.00 0.00 C ATOM 558 C GLY A 35 41.037 36.895 18.236 1.00 0.00 C ATOM 559 O GLY A 35 41.710 37.166 19.232 1.00 0.00 O ATOM 0 H GLY A 35 40.559 36.856 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.290 36.893 16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.752 38.488 16.976 1.00 0.00 H new ATOM 563 N ILE A 36 39.952 36.118 18.294 1.00 0.00 N ATOM 564 CA ILE A 36 39.496 35.539 19.555 1.00 0.00 C ATOM 565 C ILE A 36 40.038 34.108 19.724 1.00 0.00 C ATOM 566 O ILE A 36 39.933 33.304 18.797 1.00 0.00 O ATOM 567 CB ILE A 36 37.976 35.502 19.557 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.465 36.892 19.196 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.474 35.110 20.945 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.950 36.937 19.320 1.00 0.00 C ATOM 0 H ILE A 36 39.378 35.878 17.486 1.00 0.00 H new ATOM 0 HA ILE A 36 39.864 36.150 20.379 1.00 0.00 H new ATOM 0 HB ILE A 36 37.614 34.770 18.835 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.914 37.636 19.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.763 37.145 18.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.384 35.084 20.944 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.860 34.125 21.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.819 35.841 21.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.593 37.934 19.060 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.508 36.206 18.644 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.662 36.704 20.345 1.00 0.00 H new ATOM 582 N PRO A 37 40.602 33.756 20.870 1.00 0.00 N ATOM 583 CA PRO A 37 41.136 32.376 21.090 1.00 0.00 C ATOM 584 C PRO A 37 39.999 31.343 21.237 1.00 0.00 C ATOM 585 O PRO A 37 39.169 31.466 22.140 1.00 0.00 O ATOM 586 CB PRO A 37 41.935 32.505 22.394 1.00 0.00 C ATOM 587 CG PRO A 37 41.284 33.628 23.126 1.00 0.00 C ATOM 588 CD PRO A 37 40.801 34.607 22.058 1.00 0.00 C ATOM 0 HA PRO A 37 41.737 32.022 20.253 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.900 31.582 22.973 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.985 32.718 22.196 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.451 33.268 23.730 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.987 34.109 23.806 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.876 35.101 22.356 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.535 35.391 21.871 1.00 0.00 H new ATOM 596 N PRO A 38 39.947 30.336 20.389 1.00 0.00 N ATOM 597 CA PRO A 38 38.891 29.283 20.451 1.00 0.00 C ATOM 598 C PRO A 38 38.624 28.785 21.872 1.00 0.00 C ATOM 599 O PRO A 38 37.566 28.221 22.151 1.00 0.00 O ATOM 600 CB PRO A 38 39.448 28.169 19.568 1.00 0.00 C ATOM 601 CG PRO A 38 40.291 28.872 18.560 1.00 0.00 C ATOM 602 CD PRO A 38 40.874 30.092 19.267 1.00 0.00 C ATOM 0 HA PRO A 38 37.924 29.660 20.118 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.036 27.459 20.150 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.647 27.604 19.090 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.083 28.220 18.193 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.697 29.170 17.696 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.887 29.901 19.621 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.927 30.952 18.599 1.00 0.00 H new ATOM 610 N ASP A 39 39.588 28.987 22.764 1.00 0.00 N ATOM 611 CA ASP A 39 39.437 28.542 24.144 1.00 0.00 C ATOM 612 C ASP A 39 38.372 29.353 24.871 1.00 0.00 C ATOM 613 O ASP A 39 37.622 28.819 25.688 1.00 0.00 O ATOM 614 CB ASP A 39 40.768 28.668 24.888 1.00 0.00 C ATOM 615 CG ASP A 39 41.759 27.634 24.364 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.312 26.618 23.857 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.950 27.872 24.479 1.00 0.00 O ATOM 0 H ASP A 39 40.473 29.451 22.559 1.00 0.00 H new ATOM 0 HA ASP A 39 39.126 27.498 24.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.174 29.671 24.757 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.611 28.524 25.957 1.00 0.00 H new ATOM 622 N GLN A 40 38.327 30.648 24.591 1.00 0.00 N ATOM 623 CA GLN A 40 37.366 31.530 25.246 1.00 0.00 C ATOM 624 C GLN A 40 36.021 31.526 24.535 1.00 0.00 C ATOM 625 O GLN A 40 35.058 32.098 25.036 1.00 0.00 O ATOM 626 CB GLN A 40 37.903 32.963 25.277 1.00 0.00 C ATOM 627 CG GLN A 40 39.152 33.014 26.159 1.00 0.00 C ATOM 628 CD GLN A 40 39.673 34.446 26.246 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.484 34.864 25.420 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.252 35.228 27.202 1.00 0.00 N ATOM 0 H GLN A 40 38.940 31.111 23.919 1.00 0.00 H new ATOM 0 HA GLN A 40 37.224 31.157 26.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.143 33.296 24.267 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.142 33.641 25.664 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.918 32.642 27.157 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.923 32.362 25.749 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.580 34.881 27.886 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.595 36.187 27.265 1.00 0.00 H new ATOM 639 N GLN A 41 35.948 30.882 23.370 1.00 0.00 N ATOM 640 CA GLN A 41 34.702 30.826 22.604 1.00 0.00 C ATOM 641 C GLN A 41 33.984 29.492 22.781 1.00 0.00 C ATOM 642 O GLN A 41 34.612 28.435 22.865 1.00 0.00 O ATOM 643 CB GLN A 41 35.007 31.033 21.120 1.00 0.00 C ATOM 644 CG GLN A 41 35.587 32.431 20.907 1.00 0.00 C ATOM 645 CD GLN A 41 36.060 32.585 19.464 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.553 33.528 18.718 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 36.913 31.827 19.005 1.00 0.00 N flip ATOM 0 H GLN A 41 36.732 30.394 22.937 1.00 0.00 H new ATOM 0 HA GLN A 41 34.049 31.615 22.977 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.714 30.278 20.775 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.098 30.912 20.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.833 33.185 21.134 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.419 32.597 21.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.308 31.090 19.589 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.225 31.935 18.040 1.00 0.00 H new ATOM 656 N ARG A 42 32.652 29.559 22.806 1.00 0.00 N ATOM 657 CA ARG A 42 31.806 28.377 22.934 1.00 0.00 C ATOM 658 C ARG A 42 30.847 28.364 21.752 1.00 0.00 C ATOM 659 O ARG A 42 30.133 29.341 21.520 1.00 0.00 O ATOM 660 CB ARG A 42 31.003 28.441 24.242 1.00 0.00 C ATOM 661 CG ARG A 42 31.953 28.421 25.455 1.00 0.00 C ATOM 662 CD ARG A 42 32.263 26.975 25.861 1.00 0.00 C ATOM 663 NE ARG A 42 31.156 26.419 26.632 1.00 0.00 N ATOM 664 CZ ARG A 42 31.121 25.128 26.951 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.124 24.655 27.648 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.081 24.334 26.564 1.00 0.00 N ATOM 0 H ARG A 42 32.132 30.434 22.738 1.00 0.00 H new ATOM 0 HA ARG A 42 32.419 27.476 22.948 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.397 29.347 24.261 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.315 27.597 24.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.878 28.944 25.211 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.498 28.952 26.291 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.437 26.369 24.972 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.179 26.944 26.451 1.00 0.00 H new ATOM 0 HE ARG A 42 30.396 27.030 26.931 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.372 25.275 27.948 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.097 23.665 27.893 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.859 24.703 26.017 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.054 23.344 26.809 1.00 0.00 H new ATOM 680 N LEU A 43 30.844 27.281 20.980 1.00 0.00 N ATOM 681 CA LEU A 43 29.971 27.202 19.807 1.00 0.00 C ATOM 682 C LEU A 43 28.653 26.524 20.145 1.00 0.00 C ATOM 683 O LEU A 43 28.618 25.353 20.538 1.00 0.00 O ATOM 684 CB LEU A 43 30.662 26.422 18.696 1.00 0.00 C ATOM 685 CG LEU A 43 32.079 26.947 18.449 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.579 26.394 17.119 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.084 28.475 18.394 1.00 0.00 C ATOM 0 H LEU A 43 31.425 26.458 21.139 1.00 0.00 H new ATOM 0 HA LEU A 43 29.765 28.220 19.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.704 25.366 18.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.079 26.497 17.778 1.00 0.00 H new ATOM 0 HG LEU A 43 32.728 26.626 19.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.588 26.760 16.929 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.589 25.305 17.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.918 26.722 16.317 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.100 28.829 18.218 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.436 28.812 17.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.719 28.874 19.340 1.00 0.00 H new ATOM 699 N ILE A 44 27.567 27.278 19.988 1.00 0.00 N ATOM 700 CA ILE A 44 26.222 26.771 20.278 1.00 0.00 C ATOM 701 C ILE A 44 25.384 26.627 19.004 1.00 0.00 C ATOM 702 O ILE A 44 25.152 27.604 18.283 1.00 0.00 O ATOM 703 CB ILE A 44 25.503 27.732 21.232 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.397 28.053 22.440 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.194 27.101 21.715 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.869 26.760 23.118 1.00 0.00 C ATOM 0 H ILE A 44 27.589 28.244 19.661 1.00 0.00 H new ATOM 0 HA ILE A 44 26.333 25.787 20.734 1.00 0.00 H new ATOM 0 HB ILE A 44 25.285 28.657 20.698 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.259 28.637 22.117 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.847 28.665 23.154 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.687 27.788 22.393 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.551 26.896 20.859 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.410 26.169 22.238 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.501 27.006 23.971 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.004 26.191 23.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.438 26.162 22.406 1.00 0.00 H new ATOM 718 N PHE A 45 24.918 25.402 18.748 1.00 0.00 N ATOM 719 CA PHE A 45 24.085 25.116 17.582 1.00 0.00 C ATOM 720 C PHE A 45 22.999 24.117 17.966 1.00 0.00 C ATOM 721 O PHE A 45 23.290 23.047 18.496 1.00 0.00 O ATOM 722 CB PHE A 45 24.937 24.530 16.459 1.00 0.00 C ATOM 723 CG PHE A 45 24.082 24.272 15.244 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.926 25.264 14.269 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.455 23.033 15.089 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.143 25.014 13.135 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.669 22.782 13.957 1.00 0.00 C ATOM 728 CZ PHE A 45 22.514 23.773 12.979 1.00 0.00 C ATOM 0 H PHE A 45 25.106 24.590 19.337 1.00 0.00 H new ATOM 0 HA PHE A 45 23.628 26.043 17.237 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.744 25.218 16.207 1.00 0.00 H new ATOM 0 HB3 PHE A 45 25.402 23.602 16.791 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.409 26.222 14.391 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.576 22.269 15.842 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.024 25.778 12.381 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.183 21.825 13.838 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.910 23.580 12.105 1.00 0.00 H new ATOM 738 N ALA A 46 21.747 24.477 17.708 1.00 0.00 N ATOM 739 CA ALA A 46 20.628 23.601 18.041 1.00 0.00 C ATOM 740 C ALA A 46 20.672 23.198 19.517 1.00 0.00 C ATOM 741 O ALA A 46 20.283 22.087 19.877 1.00 0.00 O ATOM 742 CB ALA A 46 20.668 22.349 17.166 1.00 0.00 C ATOM 0 H ALA A 46 21.482 25.361 17.273 1.00 0.00 H new ATOM 0 HA ALA A 46 19.702 24.145 17.857 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.830 21.700 17.420 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.599 22.636 16.117 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.604 21.816 17.336 1.00 0.00 H new ATOM 748 N GLY A 47 21.132 24.114 20.364 1.00 0.00 N ATOM 749 CA GLY A 47 21.206 23.855 21.801 1.00 0.00 C ATOM 750 C GLY A 47 22.235 22.774 22.142 1.00 0.00 C ATOM 751 O GLY A 47 22.209 22.215 23.239 1.00 0.00 O ATOM 0 H GLY A 47 21.458 25.039 20.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.464 24.777 22.322 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.225 23.548 22.164 1.00 0.00 H new ATOM 755 N LYS A 48 23.146 22.486 21.209 1.00 0.00 N ATOM 756 CA LYS A 48 24.188 21.473 21.438 1.00 0.00 C ATOM 757 C LYS A 48 25.574 22.058 21.193 1.00 0.00 C ATOM 758 O LYS A 48 25.810 22.686 20.160 1.00 0.00 O ATOM 759 CB LYS A 48 23.988 20.290 20.499 1.00 0.00 C ATOM 760 CG LYS A 48 22.606 19.667 20.727 1.00 0.00 C ATOM 761 CD LYS A 48 22.461 18.414 19.859 1.00 0.00 C ATOM 762 CE LYS A 48 21.154 17.701 20.205 1.00 0.00 C ATOM 763 NZ LYS A 48 20.991 16.513 19.321 1.00 0.00 N ATOM 0 H LYS A 48 23.186 22.934 20.294 1.00 0.00 H new ATOM 0 HA LYS A 48 24.110 21.144 22.474 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.082 20.617 19.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.765 19.544 20.670 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.480 19.410 21.779 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.826 20.386 20.479 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.470 18.687 18.804 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.306 17.746 20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.161 17.392 21.250 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.311 18.381 20.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.102 16.026 19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.967 16.820 18.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.790 15.862 19.463 1.00 0.00 H new ATOM 777 N GLN A 49 26.501 21.838 22.124 1.00 0.00 N ATOM 778 CA GLN A 49 27.855 22.336 21.953 1.00 0.00 C ATOM 779 C GLN A 49 28.600 21.478 20.942 1.00 0.00 C ATOM 780 O GLN A 49 28.596 20.250 21.034 1.00 0.00 O ATOM 781 CB GLN A 49 28.599 22.323 23.280 1.00 0.00 C ATOM 782 CG GLN A 49 28.043 23.418 24.189 1.00 0.00 C ATOM 783 CD GLN A 49 28.613 23.270 25.596 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.865 22.938 25.751 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 27.898 23.463 26.579 1.00 0.00 N flip ATOM 0 H GLN A 49 26.338 21.325 22.991 1.00 0.00 H new ATOM 0 HA GLN A 49 27.803 23.362 21.589 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.492 21.350 23.759 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.664 22.481 23.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.296 24.399 23.787 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.955 23.358 24.221 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.919 23.723 26.455 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.284 23.363 27.518 1.00 0.00 H new ATOM 794 N LEU A 50 29.217 22.123 19.966 1.00 0.00 N ATOM 795 CA LEU A 50 29.932 21.391 18.930 1.00 0.00 C ATOM 796 C LEU A 50 31.154 20.685 19.509 1.00 0.00 C ATOM 797 O LEU A 50 31.918 21.266 20.280 1.00 0.00 O ATOM 798 CB LEU A 50 30.350 22.348 17.813 1.00 0.00 C ATOM 799 CG LEU A 50 29.115 22.754 16.991 1.00 0.00 C ATOM 800 CD1 LEU A 50 28.162 23.606 17.843 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.561 23.564 15.772 1.00 0.00 C ATOM 0 H LEU A 50 29.239 23.138 19.868 1.00 0.00 H new ATOM 0 HA LEU A 50 29.267 20.632 18.519 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.824 23.233 18.237 1.00 0.00 H new ATOM 0 HB3 LEU A 50 31.087 21.870 17.168 1.00 0.00 H new ATOM 0 HG LEU A 50 28.594 21.852 16.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.293 23.886 17.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.838 23.032 18.711 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.678 24.506 18.176 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.687 23.853 15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.088 24.459 16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.225 22.958 15.156 1.00 0.00 H new ATOM 813 N GLU A 51 31.319 19.416 19.131 1.00 0.00 N ATOM 814 CA GLU A 51 32.429 18.609 19.607 1.00 0.00 C ATOM 815 C GLU A 51 33.747 19.048 18.970 1.00 0.00 C ATOM 816 O GLU A 51 33.840 19.204 17.748 1.00 0.00 O ATOM 817 CB GLU A 51 32.156 17.137 19.289 1.00 0.00 C ATOM 818 CG GLU A 51 32.988 16.246 20.203 1.00 0.00 C ATOM 819 CD GLU A 51 33.009 14.822 19.661 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.128 14.060 20.024 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.903 14.513 18.889 1.00 0.00 O ATOM 0 H GLU A 51 30.690 18.928 18.493 1.00 0.00 H new ATOM 0 HA GLU A 51 32.520 18.744 20.685 1.00 0.00 H new ATOM 0 HB2 GLU A 51 31.096 16.918 19.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.398 16.930 18.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.005 16.632 20.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.572 16.255 21.211 1.00 0.00 H new ATOM 828 N ASP A 52 34.760 19.239 19.808 1.00 0.00 N ATOM 829 CA ASP A 52 36.068 19.669 19.345 1.00 0.00 C ATOM 830 C ASP A 52 36.734 18.661 18.399 1.00 0.00 C ATOM 831 O ASP A 52 37.951 18.714 18.213 1.00 0.00 O ATOM 832 CB ASP A 52 36.986 19.889 20.553 1.00 0.00 C ATOM 833 CG ASP A 52 38.283 20.556 20.105 1.00 0.00 C ATOM 834 OD1 ASP A 52 38.269 21.760 19.908 1.00 0.00 O ATOM 835 OD2 ASP A 52 39.271 19.853 19.965 1.00 0.00 O ATOM 0 H ASP A 52 34.696 19.101 20.817 1.00 0.00 H new ATOM 0 HA ASP A 52 35.917 20.592 18.786 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.484 20.511 21.294 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.204 18.935 21.033 1.00 0.00 H new ATOM 840 N GLY A 53 35.969 17.741 17.799 1.00 0.00 N ATOM 841 CA GLY A 53 36.586 16.761 16.896 1.00 0.00 C ATOM 842 C GLY A 53 35.602 16.126 15.911 1.00 0.00 C ATOM 843 O GLY A 53 35.896 15.068 15.349 1.00 0.00 O ATOM 0 H GLY A 53 34.959 17.654 17.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.383 17.249 16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 37.050 15.974 17.491 1.00 0.00 H new ATOM 847 N ARG A 54 34.447 16.759 15.677 1.00 0.00 N ATOM 848 CA ARG A 54 33.462 16.208 14.726 1.00 0.00 C ATOM 849 C ARG A 54 33.466 16.995 13.415 1.00 0.00 C ATOM 850 O ARG A 54 34.137 18.020 13.293 1.00 0.00 O ATOM 851 CB ARG A 54 32.046 16.237 15.344 1.00 0.00 C ATOM 852 CG ARG A 54 31.794 14.948 16.152 1.00 0.00 C ATOM 853 CD ARG A 54 30.320 14.856 16.564 1.00 0.00 C ATOM 854 NE ARG A 54 30.179 13.967 17.714 1.00 0.00 N ATOM 855 CZ ARG A 54 28.989 13.504 18.086 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.892 12.707 19.116 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.918 13.852 17.427 1.00 0.00 N ATOM 0 H ARG A 54 34.170 17.635 16.120 1.00 0.00 H new ATOM 0 HA ARG A 54 33.742 15.176 14.513 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.941 17.108 15.991 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.299 16.334 14.556 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.066 14.078 15.555 1.00 0.00 H new ATOM 0 HG3 ARG A 54 32.428 14.937 17.039 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.940 15.847 16.811 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.723 14.484 15.731 1.00 0.00 H new ATOM 0 HE ARG A 54 31.009 13.696 18.242 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.729 12.440 19.635 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.980 12.352 19.402 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.993 14.479 16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 54 27.006 13.497 17.713 1.00 0.00 H new ATOM 871 N THR A 55 32.702 16.487 12.442 1.00 0.00 N ATOM 872 CA THR A 55 32.589 17.119 11.124 1.00 0.00 C ATOM 873 C THR A 55 31.235 17.800 10.979 1.00 0.00 C ATOM 874 O THR A 55 30.231 17.350 11.549 1.00 0.00 O ATOM 875 CB THR A 55 32.753 16.065 10.023 1.00 0.00 C ATOM 876 OG1 THR A 55 31.893 14.967 10.292 1.00 0.00 O ATOM 877 CG2 THR A 55 34.207 15.581 9.983 1.00 0.00 C ATOM 0 H THR A 55 32.150 15.635 12.544 1.00 0.00 H new ATOM 0 HA THR A 55 33.375 17.868 11.029 1.00 0.00 H new ATOM 0 HB THR A 55 32.495 16.504 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.995 14.292 9.589 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.320 14.832 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.866 16.424 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.471 15.142 10.945 1.00 0.00 H new ATOM 885 N LEU A 56 31.188 18.874 10.194 1.00 0.00 N ATOM 886 CA LEU A 56 29.935 19.559 9.987 1.00 0.00 C ATOM 887 C LEU A 56 28.913 18.581 9.424 1.00 0.00 C ATOM 888 O LEU A 56 27.739 18.643 9.778 1.00 0.00 O ATOM 889 CB LEU A 56 30.132 20.741 9.033 1.00 0.00 C ATOM 890 CG LEU A 56 30.788 21.918 9.778 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.289 21.653 9.960 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.593 23.193 8.960 1.00 0.00 C ATOM 0 H LEU A 56 31.989 19.274 9.705 1.00 0.00 H new ATOM 0 HA LEU A 56 29.570 19.946 10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.756 20.439 8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.171 21.051 8.622 1.00 0.00 H new ATOM 0 HG LEU A 56 30.326 22.029 10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.745 22.491 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.430 20.740 10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.760 21.540 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.054 24.033 9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.058 23.072 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.527 23.385 8.834 1.00 0.00 H new ATOM 904 N SER A 57 29.352 17.688 8.530 1.00 0.00 N ATOM 905 CA SER A 57 28.446 16.719 7.920 1.00 0.00 C ATOM 906 C SER A 57 27.545 16.071 8.965 1.00 0.00 C ATOM 907 O SER A 57 26.353 15.843 8.717 1.00 0.00 O ATOM 908 CB SER A 57 29.254 15.637 7.204 1.00 0.00 C ATOM 909 OG SER A 57 28.393 14.563 6.852 1.00 0.00 O ATOM 0 H SER A 57 30.321 17.619 8.218 1.00 0.00 H new ATOM 0 HA SER A 57 27.817 17.248 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.724 16.049 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.056 15.279 7.850 1.00 0.00 H new ATOM 0 HG SER A 57 28.908 13.868 6.391 1.00 0.00 H new ATOM 915 N ASP A 58 28.102 15.800 10.141 1.00 0.00 N ATOM 916 CA ASP A 58 27.313 15.208 11.209 1.00 0.00 C ATOM 917 C ASP A 58 26.210 16.183 11.583 1.00 0.00 C ATOM 918 O ASP A 58 25.075 15.795 11.876 1.00 0.00 O ATOM 919 CB ASP A 58 28.193 14.919 12.430 1.00 0.00 C ATOM 920 CG ASP A 58 29.178 13.794 12.120 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.966 13.099 11.140 1.00 0.00 O ATOM 922 OD2 ASP A 58 30.130 13.645 12.869 1.00 0.00 O ATOM 0 H ASP A 58 29.079 15.978 10.374 1.00 0.00 H new ATOM 0 HA ASP A 58 26.885 14.264 10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.737 15.819 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.569 14.641 13.279 1.00 0.00 H new ATOM 927 N TYR A 59 26.568 17.463 11.552 1.00 0.00 N ATOM 928 CA TYR A 59 25.628 18.532 11.875 1.00 0.00 C ATOM 929 C TYR A 59 24.792 18.933 10.649 1.00 0.00 C ATOM 930 O TYR A 59 23.881 19.755 10.759 1.00 0.00 O ATOM 931 CB TYR A 59 26.405 19.745 12.387 1.00 0.00 C ATOM 932 CG TYR A 59 26.964 19.452 13.764 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.303 19.069 13.908 1.00 0.00 C ATOM 934 CD2 TYR A 59 26.143 19.565 14.894 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.821 18.799 15.181 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.662 19.294 16.167 1.00 0.00 C ATOM 937 CZ TYR A 59 28.001 18.911 16.310 1.00 0.00 C ATOM 938 OH TYR A 59 28.512 18.643 17.563 1.00 0.00 O ATOM 0 H TYR A 59 27.504 17.786 11.306 1.00 0.00 H new ATOM 0 HA TYR A 59 24.945 18.170 12.643 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.215 19.986 11.699 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.751 20.616 12.428 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.936 18.982 13.038 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.110 19.861 14.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.854 18.504 15.292 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.029 19.381 17.038 1.00 0.00 H new ATOM 0 HH TYR A 59 27.811 18.769 18.236 1.00 0.00 H new ATOM 948 N ASN A 60 25.093 18.351 9.483 1.00 0.00 N ATOM 949 CA ASN A 60 24.339 18.671 8.266 1.00 0.00 C ATOM 950 C ASN A 60 23.041 17.875 8.221 1.00 0.00 C ATOM 951 O ASN A 60 21.999 18.397 7.839 1.00 0.00 O ATOM 952 CB ASN A 60 25.169 18.365 7.017 1.00 0.00 C ATOM 953 CG ASN A 60 24.445 18.885 5.777 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.538 18.228 5.265 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.791 20.034 5.261 1.00 0.00 N ATOM 0 H ASN A 60 25.840 17.668 9.356 1.00 0.00 H new ATOM 0 HA ASN A 60 24.108 19.736 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.151 18.831 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.332 17.291 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.310 20.387 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.542 20.578 5.685 1.00 0.00 H new ATOM 962 N ILE A 61 23.105 16.612 8.625 1.00 0.00 N ATOM 963 CA ILE A 61 21.905 15.775 8.635 1.00 0.00 C ATOM 964 C ILE A 61 20.866 16.409 9.557 1.00 0.00 C ATOM 965 O ILE A 61 19.708 16.592 9.181 1.00 0.00 O ATOM 966 CB ILE A 61 22.253 14.366 9.124 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.287 13.748 8.181 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.993 13.500 9.142 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.876 12.486 8.817 1.00 0.00 C ATOM 0 H ILE A 61 23.956 16.149 8.945 1.00 0.00 H new ATOM 0 HA ILE A 61 21.501 15.701 7.625 1.00 0.00 H new ATOM 0 HB ILE A 61 22.663 14.421 10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.822 13.503 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.080 14.467 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.245 12.498 9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.257 13.943 9.813 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.578 13.440 8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.612 12.048 8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.357 12.744 9.761 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.079 11.765 9.001 1.00 0.00 H new ATOM 981 N GLN A 62 21.306 16.732 10.768 1.00 0.00 N ATOM 982 CA GLN A 62 20.432 17.344 11.760 1.00 0.00 C ATOM 983 C GLN A 62 20.089 18.775 11.345 1.00 0.00 C ATOM 984 O GLN A 62 20.179 19.699 12.154 1.00 0.00 O ATOM 985 CB GLN A 62 21.139 17.362 13.122 1.00 0.00 C ATOM 986 CG GLN A 62 21.517 15.933 13.526 1.00 0.00 C ATOM 987 CD GLN A 62 20.258 15.113 13.781 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.222 15.665 14.151 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.284 13.819 13.607 1.00 0.00 N ATOM 0 H GLN A 62 22.263 16.580 11.086 1.00 0.00 H new ATOM 0 HA GLN A 62 19.512 16.764 11.831 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.032 17.984 13.071 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.486 17.803 13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.110 15.468 12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.137 15.952 14.423 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.143 13.363 13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.445 13.265 13.778 1.00 0.00 H new ATOM 998 N LYS A 63 19.697 18.958 10.076 1.00 0.00 N ATOM 999 CA LYS A 63 19.340 20.285 9.571 1.00 0.00 C ATOM 1000 C LYS A 63 17.970 20.736 10.090 1.00 0.00 C ATOM 1001 O LYS A 63 17.053 20.978 9.301 1.00 0.00 O ATOM 1002 CB LYS A 63 19.331 20.291 8.028 1.00 0.00 C ATOM 1003 CG LYS A 63 19.302 21.736 7.512 1.00 0.00 C ATOM 1004 CD LYS A 63 19.487 21.754 5.991 1.00 0.00 C ATOM 1005 CE LYS A 63 19.605 23.204 5.509 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.426 23.983 5.982 1.00 0.00 N ATOM 0 H LYS A 63 19.620 18.209 9.388 1.00 0.00 H new ATOM 0 HA LYS A 63 20.093 20.984 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.214 19.778 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.462 19.746 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.355 22.206 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.091 22.317 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.381 21.194 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.642 21.265 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.525 23.650 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.661 23.233 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.407 24.908 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.554 23.462 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.493 24.124 7.010 1.00 0.00 H new ATOM 1020 N GLU A 64 17.839 20.852 11.412 1.00 0.00 N ATOM 1021 CA GLU A 64 16.577 21.285 12.017 1.00 0.00 C ATOM 1022 C GLU A 64 16.163 22.633 11.434 1.00 0.00 C ATOM 1023 O GLU A 64 14.996 22.853 11.114 1.00 0.00 O ATOM 1024 CB GLU A 64 16.749 21.423 13.537 1.00 0.00 C ATOM 1025 CG GLU A 64 17.260 20.107 14.123 1.00 0.00 C ATOM 1026 CD GLU A 64 16.181 19.035 14.022 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.122 18.380 12.996 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.431 18.884 14.973 1.00 0.00 O ATOM 0 H GLU A 64 18.584 20.654 12.080 1.00 0.00 H new ATOM 0 HA GLU A 64 15.808 20.543 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.449 22.228 13.761 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.798 21.691 13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.154 19.785 13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.545 20.250 15.165 1.00 0.00 H new ATOM 1049 N THR A 66 18.268 26.395 9.454 1.00 0.00 N ATOM 1050 CA THR A 66 19.239 26.763 8.422 1.00 0.00 C ATOM 1051 C THR A 66 20.621 26.853 9.055 1.00 0.00 C ATOM 1052 O THR A 66 20.769 26.614 10.257 1.00 0.00 O ATOM 1053 CB THR A 66 18.870 28.118 7.803 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.852 28.472 6.838 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.820 29.185 8.896 1.00 0.00 C ATOM 0 HA THR A 66 19.235 26.007 7.637 1.00 0.00 H new ATOM 0 HB THR A 66 17.893 28.048 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.621 29.336 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.558 30.146 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.071 28.910 9.639 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.796 29.260 9.376 1.00 0.00 H new ATOM 1063 N LEU A 67 21.645 27.172 8.261 1.00 0.00 N ATOM 1064 CA LEU A 67 23.004 27.251 8.775 1.00 0.00 C ATOM 1065 C LEU A 67 23.251 28.578 9.478 1.00 0.00 C ATOM 1066 O LEU A 67 23.586 29.582 8.848 1.00 0.00 O ATOM 1067 CB LEU A 67 23.996 27.110 7.607 1.00 0.00 C ATOM 1068 CG LEU A 67 23.582 25.935 6.701 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.540 25.827 5.506 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.627 24.628 7.498 1.00 0.00 C ATOM 0 H LEU A 67 21.555 27.378 7.266 1.00 0.00 H new ATOM 0 HA LEU A 67 23.145 26.446 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.023 28.034 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.002 26.946 7.992 1.00 0.00 H new ATOM 0 HG LEU A 67 22.569 26.112 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.238 24.993 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.508 26.751 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.555 25.660 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.334 23.799 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.639 24.461 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.940 24.693 8.342 1.00 0.00 H new ATOM 1082 N HIS A 68 23.107 28.555 10.795 1.00 0.00 N ATOM 1083 CA HIS A 68 23.329 29.734 11.622 1.00 0.00 C ATOM 1084 C HIS A 68 23.973 29.299 12.927 1.00 0.00 C ATOM 1085 O HIS A 68 23.439 28.454 13.644 1.00 0.00 O ATOM 1086 CB HIS A 68 22.000 30.445 11.906 1.00 0.00 C ATOM 1087 CG HIS A 68 21.659 31.358 10.760 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.576 30.902 9.456 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.390 32.701 10.708 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.267 31.954 8.678 1.00 0.00 C ATOM 1091 NE2 HIS A 68 21.142 33.077 9.391 1.00 0.00 N ATOM 0 H HIS A 68 22.834 27.723 11.319 1.00 0.00 H new ATOM 0 HA HIS A 68 23.984 30.430 11.097 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.207 29.711 12.047 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.073 31.018 12.831 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.373 33.366 11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.136 31.898 7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.914 34.009 9.045 1.00 0.00 H new ATOM 1100 N LEU A 69 25.128 29.875 13.221 1.00 0.00 N ATOM 1101 CA LEU A 69 25.867 29.546 14.431 1.00 0.00 C ATOM 1102 C LEU A 69 25.861 30.724 15.396 1.00 0.00 C ATOM 1103 O LEU A 69 26.064 31.869 14.991 1.00 0.00 O ATOM 1104 CB LEU A 69 27.307 29.191 14.038 1.00 0.00 C ATOM 1105 CG LEU A 69 28.182 28.981 15.280 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.553 27.918 16.188 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.575 28.516 14.839 1.00 0.00 C ATOM 0 H LEU A 69 25.577 30.578 12.634 1.00 0.00 H new ATOM 0 HA LEU A 69 25.397 28.699 14.931 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.309 28.286 13.431 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.727 29.988 13.424 1.00 0.00 H new ATOM 0 HG LEU A 69 28.261 29.918 15.831 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.180 27.774 17.068 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.561 28.246 16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.470 26.977 15.644 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.203 28.365 15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.489 27.579 14.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.025 29.273 14.197 1.00 0.00 H new ATOM 1119 N VAL A 70 25.657 30.432 16.680 1.00 0.00 N ATOM 1120 CA VAL A 70 25.664 31.469 17.704 1.00 0.00 C ATOM 1121 C VAL A 70 26.983 31.419 18.462 1.00 0.00 C ATOM 1122 O VAL A 70 27.354 30.384 19.021 1.00 0.00 O ATOM 1123 CB VAL A 70 24.493 31.271 18.667 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.644 32.202 19.874 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.193 31.597 17.937 1.00 0.00 C ATOM 0 H VAL A 70 25.486 29.490 17.032 1.00 0.00 H new ATOM 0 HA VAL A 70 25.557 32.444 17.229 1.00 0.00 H new ATOM 0 HB VAL A 70 24.479 30.238 19.015 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.806 32.054 20.555 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.576 31.977 20.392 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.658 33.238 19.535 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.351 31.459 18.615 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.218 32.632 17.595 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.081 30.934 17.079 1.00 0.00 H new ATOM 1135 N LEU A 71 27.695 32.542 18.470 1.00 0.00 N ATOM 1136 CA LEU A 71 28.983 32.621 19.155 1.00 0.00 C ATOM 1137 C LEU A 71 28.827 33.186 20.562 1.00 0.00 C ATOM 1138 O LEU A 71 28.279 34.272 20.753 1.00 0.00 O ATOM 1139 CB LEU A 71 29.951 33.499 18.356 1.00 0.00 C ATOM 1140 CG LEU A 71 31.368 33.397 18.951 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.934 31.977 18.750 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.285 34.415 18.259 1.00 0.00 C ATOM 0 H LEU A 71 27.405 33.406 18.013 1.00 0.00 H new ATOM 0 HA LEU A 71 29.383 31.610 19.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.962 33.185 17.312 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.614 34.535 18.374 1.00 0.00 H new ATOM 0 HG LEU A 71 31.319 33.608 20.019 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.936 31.921 19.176 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.287 31.254 19.247 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.979 31.751 17.685 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.289 34.345 18.678 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.323 34.203 17.190 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.896 35.421 18.416 1.00 0.00 H new ATOM 1154 N ARG A 72 29.327 32.438 21.541 1.00 0.00 N ATOM 1155 CA ARG A 72 29.263 32.848 22.943 1.00 0.00 C ATOM 1156 C ARG A 72 30.644 32.683 23.570 1.00 0.00 C ATOM 1157 O ARG A 72 31.492 31.978 23.030 1.00 0.00 O ATOM 1158 CB ARG A 72 28.244 31.963 23.694 1.00 0.00 C ATOM 1159 CG ARG A 72 26.875 32.660 23.762 1.00 0.00 C ATOM 1160 CD ARG A 72 25.879 31.778 24.520 1.00 0.00 C ATOM 1161 NE ARG A 72 26.236 31.707 25.931 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.995 32.724 26.752 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.320 32.636 28.012 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.436 33.811 26.295 1.00 0.00 N ATOM 0 H ARG A 72 29.784 31.539 21.389 1.00 0.00 H new ATOM 0 HA ARG A 72 28.950 33.890 23.010 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.145 31.002 23.189 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.605 31.757 24.702 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.972 33.625 24.260 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.507 32.857 22.755 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.872 32.181 24.413 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.869 30.777 24.090 1.00 0.00 H new ATOM 0 HE ARG A 72 26.678 30.863 26.295 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.759 31.787 28.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.135 33.416 28.642 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.185 33.879 25.309 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.250 34.592 26.924 1.00 0.00 H new