USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.628 K(o=1.4,f=-0.33) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.76 K(o=1.4,f=-0.33) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.957 USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= 0.0517 USER MOD Set 2.3: A 57 SER OG : rot -150:sc= 1.1 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.0299 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.165 (180deg=-0.587) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.35 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.658) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 2.01 (180deg=1.93) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.946) USER MOD Single : A 31 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0129) USER MOD Single : A 40 GLN : amide:sc=-0.00905 K(o=-0.0091,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00267 X(o=-0.0027,f=-0.0027) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.128 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00696 X(o=-0.007,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.849 51.732 19.902 1.00 0.00 N ATOM 2 CA MET A 1 33.070 51.997 21.332 1.00 0.00 C ATOM 3 C MET A 1 34.510 52.441 21.596 1.00 0.00 C ATOM 4 O MET A 1 35.415 52.041 20.868 1.00 0.00 O ATOM 5 CB MET A 1 32.686 50.805 22.204 1.00 0.00 C ATOM 6 CG MET A 1 33.506 49.538 21.979 1.00 0.00 C ATOM 7 SD MET A 1 33.201 48.231 23.192 1.00 0.00 S ATOM 8 CE MET A 1 34.626 47.172 22.835 1.00 0.00 C ATOM 0 H1 MET A 1 31.837 51.565 19.732 1.00 0.00 H new ATOM 0 H2 MET A 1 33.163 52.552 19.344 1.00 0.00 H new ATOM 0 H3 MET A 1 33.391 50.891 19.617 1.00 0.00 H new ATOM 0 HA MET A 1 32.410 52.818 21.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.779 51.097 23.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.635 50.573 22.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.290 49.151 20.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.565 49.796 21.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.499 46.211 23.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.703 47.016 21.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.535 47.651 23.198 1.00 0.00 H new ATOM 20 N GLN A 2 34.739 53.229 22.643 1.00 0.00 N ATOM 21 CA GLN A 2 36.051 53.689 23.051 1.00 0.00 C ATOM 22 C GLN A 2 36.684 52.735 24.066 1.00 0.00 C ATOM 23 O GLN A 2 36.006 52.296 24.993 1.00 0.00 O ATOM 24 CB GLN A 2 35.933 55.109 23.596 1.00 0.00 C ATOM 25 CG GLN A 2 37.267 55.724 24.011 1.00 0.00 C ATOM 26 CD GLN A 2 37.133 57.177 24.470 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.577 58.122 23.820 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.511 57.441 25.615 1.00 0.00 N ATOM 0 H GLN A 2 33.990 53.572 23.245 1.00 0.00 H new ATOM 0 HA GLN A 2 36.716 53.701 22.187 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.472 55.742 22.837 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.263 55.103 24.456 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.700 55.132 24.817 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.961 55.675 23.172 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.132 56.679 26.177 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.413 58.406 25.932 1.00 0.00 H new ATOM 37 N ILE A 3 37.978 52.461 23.936 1.00 0.00 N ATOM 38 CA ILE A 3 38.799 51.772 24.912 1.00 0.00 C ATOM 39 C ILE A 3 40.173 52.432 25.036 1.00 0.00 C ATOM 40 O ILE A 3 40.564 53.224 24.182 1.00 0.00 O ATOM 41 CB ILE A 3 38.934 50.283 24.610 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.647 50.009 23.289 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.588 49.567 24.689 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.067 48.553 23.097 1.00 0.00 C ATOM 0 H ILE A 3 38.504 52.729 23.104 1.00 0.00 H new ATOM 0 HA ILE A 3 38.288 51.856 25.871 1.00 0.00 H new ATOM 0 HB ILE A 3 39.571 49.868 25.391 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.991 50.298 22.468 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.532 50.642 23.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.725 48.509 24.468 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.175 49.678 25.692 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.901 50.003 23.964 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.567 48.442 22.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.750 48.263 23.896 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.185 47.913 23.124 1.00 0.00 H new ATOM 56 N PHE A 4 40.946 52.057 26.051 1.00 0.00 N ATOM 57 CA PHE A 4 42.293 52.542 26.276 1.00 0.00 C ATOM 58 C PHE A 4 43.304 51.397 26.350 1.00 0.00 C ATOM 59 O PHE A 4 42.956 50.283 26.736 1.00 0.00 O ATOM 60 CB PHE A 4 42.342 53.387 27.546 1.00 0.00 C ATOM 61 CG PHE A 4 41.249 54.423 27.648 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.313 55.591 26.879 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.139 54.182 28.467 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.262 56.515 26.924 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.088 55.107 28.511 1.00 0.00 C ATOM 66 CZ PHE A 4 39.147 56.270 27.733 1.00 0.00 C ATOM 0 H PHE A 4 40.638 51.388 26.757 1.00 0.00 H new ATOM 0 HA PHE A 4 42.570 53.164 25.425 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.281 52.726 28.410 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.308 53.889 27.597 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.172 55.779 26.252 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.093 53.283 29.064 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.312 57.418 26.334 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.233 54.923 29.144 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.332 56.978 27.757 1.00 0.00 H new ATOM 76 N VAL A 5 44.563 51.669 26.018 1.00 0.00 N ATOM 77 CA VAL A 5 45.669 50.743 26.143 1.00 0.00 C ATOM 78 C VAL A 5 46.846 51.419 26.852 1.00 0.00 C ATOM 79 O VAL A 5 47.308 52.478 26.436 1.00 0.00 O ATOM 80 CB VAL A 5 46.097 50.141 24.808 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.054 48.970 25.017 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.923 49.637 23.973 1.00 0.00 C ATOM 0 H VAL A 5 44.844 52.574 25.642 1.00 0.00 H new ATOM 0 HA VAL A 5 45.322 49.907 26.750 1.00 0.00 H new ATOM 0 HB VAL A 5 46.586 50.953 24.271 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.343 48.559 24.050 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.943 49.316 25.545 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.560 48.197 25.606 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.295 49.221 23.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.388 48.865 24.526 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.247 50.465 23.759 1.00 0.00 H new ATOM 92 N LYS A 6 47.326 50.786 27.917 1.00 0.00 N ATOM 93 CA LYS A 6 48.481 51.180 28.701 1.00 0.00 C ATOM 94 C LYS A 6 49.708 50.331 28.362 1.00 0.00 C ATOM 95 O LYS A 6 49.581 49.230 27.832 1.00 0.00 O ATOM 96 CB LYS A 6 48.133 51.113 30.185 1.00 0.00 C ATOM 97 CG LYS A 6 47.125 52.197 30.562 1.00 0.00 C ATOM 98 CD LYS A 6 46.737 52.172 32.037 1.00 0.00 C ATOM 99 CE LYS A 6 47.922 52.405 32.970 1.00 0.00 C ATOM 100 NZ LYS A 6 47.470 52.726 34.333 1.00 0.00 N ATOM 0 H LYS A 6 46.891 49.935 28.273 1.00 0.00 H new ATOM 0 HA LYS A 6 48.744 52.208 28.452 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.722 50.132 30.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.039 51.231 30.780 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.544 53.174 30.320 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.228 52.076 29.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.981 52.936 32.221 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.281 51.210 32.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.551 51.515 32.993 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.536 53.220 32.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.296 52.879 34.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.890 53.589 34.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.904 51.937 34.706 1.00 0.00 H new ATOM 114 N THR A 7 50.903 50.831 28.664 1.00 0.00 N ATOM 115 CA THR A 7 52.182 50.221 28.359 1.00 0.00 C ATOM 116 C THR A 7 53.222 50.615 29.410 1.00 0.00 C ATOM 117 O THR A 7 53.056 51.597 30.130 1.00 0.00 O ATOM 118 CB THR A 7 52.615 50.579 26.940 1.00 0.00 C ATOM 119 OG1 THR A 7 53.938 50.163 26.682 1.00 0.00 O ATOM 120 CG2 THR A 7 52.516 52.066 26.613 1.00 0.00 C ATOM 0 H THR A 7 51.004 51.720 29.154 1.00 0.00 H new ATOM 0 HA THR A 7 52.086 49.136 28.398 1.00 0.00 H new ATOM 0 HB THR A 7 51.910 50.046 26.302 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.184 50.405 25.765 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.842 52.235 25.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.483 52.395 26.725 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.152 52.631 27.294 1.00 0.00 H new ATOM 128 N LEU A 8 54.311 49.860 29.532 1.00 0.00 N ATOM 129 CA LEU A 8 55.364 50.082 30.502 1.00 0.00 C ATOM 130 C LEU A 8 56.159 51.370 30.273 1.00 0.00 C ATOM 131 O LEU A 8 56.885 51.793 31.169 1.00 0.00 O ATOM 132 CB LEU A 8 56.254 48.844 30.544 1.00 0.00 C ATOM 133 CG LEU A 8 55.548 47.589 31.051 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.407 46.355 30.788 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.256 47.652 32.547 1.00 0.00 C ATOM 0 H LEU A 8 54.484 49.051 28.935 1.00 0.00 H new ATOM 0 HA LEU A 8 54.901 50.234 31.477 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.640 48.652 29.543 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.113 49.048 31.183 1.00 0.00 H new ATOM 0 HG LEU A 8 54.603 47.527 30.511 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.891 45.468 31.155 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.583 46.256 29.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.361 46.459 31.304 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.753 46.736 32.858 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.192 47.757 33.096 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.614 48.508 32.757 1.00 0.00 H new ATOM 147 N THR A 9 55.991 52.047 29.141 1.00 0.00 N ATOM 148 CA THR A 9 56.474 53.389 28.885 1.00 0.00 C ATOM 149 C THR A 9 55.598 54.490 29.487 1.00 0.00 C ATOM 150 O THR A 9 55.987 55.655 29.465 1.00 0.00 O ATOM 151 CB THR A 9 56.629 53.639 27.387 1.00 0.00 C ATOM 152 OG1 THR A 9 55.364 53.519 26.776 1.00 0.00 O ATOM 153 CG2 THR A 9 57.582 52.660 26.709 1.00 0.00 C ATOM 0 H THR A 9 55.491 51.652 28.345 1.00 0.00 H new ATOM 0 HA THR A 9 57.443 53.441 29.381 1.00 0.00 H new ATOM 0 HB THR A 9 57.048 54.638 27.271 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.449 53.679 25.813 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.647 52.893 25.646 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.571 52.743 27.160 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.210 51.643 26.836 1.00 0.00 H new ATOM 161 N GLY A 10 54.440 54.154 30.048 1.00 0.00 N ATOM 162 CA GLY A 10 53.570 55.052 30.780 1.00 0.00 C ATOM 163 C GLY A 10 52.717 56.003 29.938 1.00 0.00 C ATOM 164 O GLY A 10 52.067 56.875 30.509 1.00 0.00 O ATOM 0 H GLY A 10 54.071 53.204 29.999 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.904 54.453 31.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.184 55.649 31.455 1.00 0.00 H new ATOM 168 N LYS A 11 52.719 55.886 28.613 1.00 0.00 N ATOM 169 CA LYS A 11 51.871 56.648 27.719 1.00 0.00 C ATOM 170 C LYS A 11 50.514 55.960 27.553 1.00 0.00 C ATOM 171 O LYS A 11 50.468 54.735 27.477 1.00 0.00 O ATOM 172 CB LYS A 11 52.609 56.952 26.419 1.00 0.00 C ATOM 173 CG LYS A 11 52.899 55.769 25.500 1.00 0.00 C ATOM 174 CD LYS A 11 51.845 55.519 24.425 1.00 0.00 C ATOM 175 CE LYS A 11 51.783 56.603 23.353 1.00 0.00 C ATOM 176 NZ LYS A 11 52.955 56.579 22.465 1.00 0.00 N ATOM 0 H LYS A 11 53.333 55.236 28.122 1.00 0.00 H new ATOM 0 HA LYS A 11 51.642 57.622 28.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.024 57.682 25.859 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.557 57.428 26.670 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.861 55.932 25.014 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.997 54.870 26.109 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.049 54.561 23.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 50.868 55.437 24.901 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.878 56.472 22.760 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.713 57.580 23.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.813 57.252 21.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.804 56.847 23.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.078 55.621 22.078 1.00 0.00 H new ATOM 190 N THR A 12 49.410 56.699 27.498 1.00 0.00 N ATOM 191 CA THR A 12 48.075 56.144 27.415 1.00 0.00 C ATOM 192 C THR A 12 47.520 56.287 25.996 1.00 0.00 C ATOM 193 O THR A 12 47.249 57.397 25.544 1.00 0.00 O ATOM 194 CB THR A 12 47.109 56.778 28.412 1.00 0.00 C ATOM 195 OG1 THR A 12 47.616 56.708 29.727 1.00 0.00 O ATOM 196 CG2 THR A 12 45.764 56.059 28.434 1.00 0.00 C ATOM 0 H THR A 12 49.425 57.719 27.510 1.00 0.00 H new ATOM 0 HA THR A 12 48.162 55.088 27.671 1.00 0.00 H new ATOM 0 HB THR A 12 46.987 57.812 28.089 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.979 57.123 30.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.105 56.541 29.156 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.311 56.104 27.444 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.913 55.017 28.718 1.00 0.00 H new ATOM 204 N ILE A 13 47.325 55.158 25.323 1.00 0.00 N ATOM 205 CA ILE A 13 46.784 55.069 23.981 1.00 0.00 C ATOM 206 C ILE A 13 45.258 55.007 24.058 1.00 0.00 C ATOM 207 O ILE A 13 44.719 54.276 24.886 1.00 0.00 O ATOM 208 CB ILE A 13 47.347 53.855 23.247 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.867 53.742 23.319 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.901 53.853 21.788 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.416 52.371 22.933 1.00 0.00 C ATOM 0 H ILE A 13 47.550 54.245 25.718 1.00 0.00 H new ATOM 0 HA ILE A 13 47.076 55.954 23.415 1.00 0.00 H new ATOM 0 HB ILE A 13 46.942 52.985 23.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.307 54.494 22.663 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.189 53.976 24.334 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.313 52.980 21.283 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.813 53.820 21.740 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.258 54.758 21.297 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.503 52.379 23.012 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.009 51.614 23.604 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.128 52.140 21.907 1.00 0.00 H new ATOM 223 N THR A 14 44.555 55.700 23.167 1.00 0.00 N ATOM 224 CA THR A 14 43.122 55.564 22.993 1.00 0.00 C ATOM 225 C THR A 14 42.818 54.883 21.656 1.00 0.00 C ATOM 226 O THR A 14 43.394 55.254 20.636 1.00 0.00 O ATOM 227 CB THR A 14 42.401 56.907 23.067 1.00 0.00 C ATOM 228 OG1 THR A 14 42.813 57.608 24.219 1.00 0.00 O ATOM 229 CG2 THR A 14 40.884 56.773 23.147 1.00 0.00 C ATOM 0 H THR A 14 44.977 56.382 22.537 1.00 0.00 H new ATOM 0 HA THR A 14 42.753 54.948 23.813 1.00 0.00 H new ATOM 0 HB THR A 14 42.659 57.434 22.148 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.349 58.470 24.261 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.433 57.764 23.197 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.518 56.252 22.262 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.615 56.207 24.039 1.00 0.00 H new ATOM 237 N LEU A 15 41.911 53.912 21.646 1.00 0.00 N ATOM 238 CA LEU A 15 41.441 53.222 20.462 1.00 0.00 C ATOM 239 C LEU A 15 39.914 53.278 20.372 1.00 0.00 C ATOM 240 O LEU A 15 39.216 53.306 21.383 1.00 0.00 O ATOM 241 CB LEU A 15 41.911 51.771 20.446 1.00 0.00 C ATOM 242 CG LEU A 15 43.415 51.521 20.514 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.664 50.017 20.583 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.175 52.061 19.305 1.00 0.00 C ATOM 0 H LEU A 15 41.468 53.574 22.501 1.00 0.00 H new ATOM 0 HA LEU A 15 41.864 53.730 19.595 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.445 51.256 21.287 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.532 51.304 19.537 1.00 0.00 H new ATOM 0 HG LEU A 15 43.778 52.044 21.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.736 49.828 20.632 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.183 49.609 21.472 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.251 49.539 19.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.238 51.849 19.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.805 51.582 18.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.026 53.138 19.233 1.00 0.00 H new ATOM 256 N GLU A 16 39.394 53.235 19.148 1.00 0.00 N ATOM 257 CA GLU A 16 37.974 53.197 18.864 1.00 0.00 C ATOM 258 C GLU A 16 37.656 51.933 18.062 1.00 0.00 C ATOM 259 O GLU A 16 38.156 51.742 16.956 1.00 0.00 O ATOM 260 CB GLU A 16 37.574 54.506 18.188 1.00 0.00 C ATOM 261 CG GLU A 16 36.167 54.973 18.547 1.00 0.00 C ATOM 262 CD GLU A 16 35.042 54.193 17.863 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.122 53.984 16.633 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.037 53.870 18.533 1.00 0.00 O ATOM 0 H GLU A 16 39.971 53.226 18.307 1.00 0.00 H new ATOM 0 HA GLU A 16 37.373 53.129 19.771 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.287 55.282 18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.642 54.383 17.107 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.038 54.899 19.627 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.071 56.027 18.286 1.00 0.00 H new ATOM 271 N VAL A 17 36.913 51.010 18.667 1.00 0.00 N ATOM 272 CA VAL A 17 36.782 49.625 18.263 1.00 0.00 C ATOM 273 C VAL A 17 35.320 49.177 18.200 1.00 0.00 C ATOM 274 O VAL A 17 34.481 49.705 18.927 1.00 0.00 O ATOM 275 CB VAL A 17 37.582 48.687 19.161 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.077 48.990 19.122 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.120 48.720 20.616 1.00 0.00 C ATOM 0 H VAL A 17 36.359 51.226 19.496 1.00 0.00 H new ATOM 0 HA VAL A 17 37.196 49.566 17.257 1.00 0.00 H new ATOM 0 HB VAL A 17 37.400 47.691 18.757 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.606 48.297 19.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.444 48.878 18.102 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.250 50.012 19.460 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.726 48.033 21.206 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.230 49.730 21.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.073 48.421 20.672 1.00 0.00 H new ATOM 287 N GLU A 18 35.013 48.183 17.372 1.00 0.00 N ATOM 288 CA GLU A 18 33.720 47.529 17.365 1.00 0.00 C ATOM 289 C GLU A 18 33.600 46.551 18.536 1.00 0.00 C ATOM 290 O GLU A 18 34.603 45.932 18.884 1.00 0.00 O ATOM 291 CB GLU A 18 33.490 46.815 16.037 1.00 0.00 C ATOM 292 CG GLU A 18 33.529 47.716 14.806 1.00 0.00 C ATOM 293 CD GLU A 18 33.445 46.932 13.496 1.00 0.00 C ATOM 294 OE1 GLU A 18 33.823 45.740 13.454 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.043 47.499 12.457 1.00 0.00 O ATOM 0 H GLU A 18 35.665 47.809 16.682 1.00 0.00 H new ATOM 0 HA GLU A 18 32.949 48.291 17.482 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.246 46.038 15.924 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.522 46.316 16.073 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.702 48.425 14.854 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.450 48.299 14.817 1.00 0.00 H new ATOM 302 N PRO A 19 32.431 46.343 19.136 1.00 0.00 N ATOM 303 CA PRO A 19 32.265 45.447 20.264 1.00 0.00 C ATOM 304 C PRO A 19 32.759 44.016 20.047 1.00 0.00 C ATOM 305 O PRO A 19 33.346 43.426 20.952 1.00 0.00 O ATOM 306 CB PRO A 19 30.776 45.468 20.599 1.00 0.00 C ATOM 307 CG PRO A 19 30.355 46.868 20.162 1.00 0.00 C ATOM 308 CD PRO A 19 31.211 47.094 18.919 1.00 0.00 C ATOM 0 HA PRO A 19 32.893 45.802 21.081 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.229 44.694 20.061 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.597 45.304 21.662 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.290 46.920 19.937 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.555 47.612 20.934 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.695 46.751 18.022 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.424 48.154 18.779 1.00 0.00 H new ATOM 316 N SER A 20 32.559 43.475 18.848 1.00 0.00 N ATOM 317 CA SER A 20 33.030 42.176 18.412 1.00 0.00 C ATOM 318 C SER A 20 34.202 42.273 17.434 1.00 0.00 C ATOM 319 O SER A 20 34.346 41.424 16.556 1.00 0.00 O ATOM 320 CB SER A 20 31.891 41.335 17.845 1.00 0.00 C ATOM 321 OG SER A 20 30.869 41.137 18.795 1.00 0.00 O ATOM 0 H SER A 20 32.036 43.962 18.121 1.00 0.00 H new ATOM 0 HA SER A 20 33.411 41.667 19.297 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.479 41.827 16.964 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.278 40.369 17.520 1.00 0.00 H new ATOM 0 HG SER A 20 30.154 40.596 18.399 1.00 0.00 H new ATOM 327 N ASP A 21 35.058 43.285 17.541 1.00 0.00 N ATOM 328 CA ASP A 21 36.331 43.271 16.849 1.00 0.00 C ATOM 329 C ASP A 21 37.275 42.214 17.426 1.00 0.00 C ATOM 330 O ASP A 21 37.115 41.769 18.560 1.00 0.00 O ATOM 331 CB ASP A 21 36.986 44.649 16.813 1.00 0.00 C ATOM 332 CG ASP A 21 37.962 44.823 15.648 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.883 44.062 14.659 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.748 45.793 15.662 1.00 0.00 O ATOM 0 H ASP A 21 34.889 44.121 18.100 1.00 0.00 H new ATOM 0 HA ASP A 21 36.123 42.995 15.815 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.210 45.411 16.745 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.516 44.817 17.751 1.00 0.00 H new ATOM 339 N THR A 22 38.266 41.795 16.643 1.00 0.00 N ATOM 340 CA THR A 22 39.133 40.670 16.929 1.00 0.00 C ATOM 341 C THR A 22 40.568 41.092 17.250 1.00 0.00 C ATOM 342 O THR A 22 41.045 42.127 16.791 1.00 0.00 O ATOM 343 CB THR A 22 39.126 39.652 15.792 1.00 0.00 C ATOM 344 OG1 THR A 22 39.490 40.264 14.575 1.00 0.00 O ATOM 345 CG2 THR A 22 37.783 38.959 15.584 1.00 0.00 C ATOM 0 H THR A 22 38.490 42.252 15.759 1.00 0.00 H new ATOM 0 HA THR A 22 38.724 40.200 17.823 1.00 0.00 H new ATOM 0 HB THR A 22 39.850 38.894 16.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.399 39.990 14.330 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.863 38.252 14.758 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.504 38.426 16.493 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.021 39.704 15.352 1.00 0.00 H new ATOM 353 N ILE A 23 41.289 40.279 18.017 1.00 0.00 N ATOM 354 CA ILE A 23 42.578 40.651 18.566 1.00 0.00 C ATOM 355 C ILE A 23 43.661 40.891 17.512 1.00 0.00 C ATOM 356 O ILE A 23 44.444 41.824 17.682 1.00 0.00 O ATOM 357 CB ILE A 23 43.000 39.649 19.637 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.063 39.655 20.842 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.440 39.827 20.109 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.981 40.953 21.639 1.00 0.00 C ATOM 0 H ILE A 23 40.988 39.339 18.273 1.00 0.00 H new ATOM 0 HA ILE A 23 42.455 41.626 19.038 1.00 0.00 H new ATOM 0 HB ILE A 23 42.933 38.680 19.142 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.060 39.405 20.495 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.374 38.859 21.519 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.669 39.080 20.870 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.118 39.704 19.264 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.564 40.824 20.531 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.283 40.828 22.467 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.967 41.203 22.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.634 41.757 20.990 1.00 0.00 H new ATOM 372 N GLU A 24 43.706 40.168 16.397 1.00 0.00 N ATOM 373 CA GLU A 24 44.663 40.437 15.342 1.00 0.00 C ATOM 374 C GLU A 24 44.373 41.744 14.602 1.00 0.00 C ATOM 375 O GLU A 24 45.285 42.396 14.096 1.00 0.00 O ATOM 376 CB GLU A 24 44.814 39.244 14.403 1.00 0.00 C ATOM 377 CG GLU A 24 43.893 39.153 13.190 1.00 0.00 C ATOM 378 CD GLU A 24 42.451 38.744 13.498 1.00 0.00 C ATOM 379 OE1 GLU A 24 41.893 39.135 14.547 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.854 38.005 12.686 1.00 0.00 O ATOM 0 H GLU A 24 43.082 39.385 16.205 1.00 0.00 H new ATOM 0 HA GLU A 24 45.631 40.583 15.821 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.842 39.235 14.041 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.676 38.338 14.993 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.880 40.121 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.315 38.436 12.486 1.00 0.00 H new ATOM 387 N ASN A 25 43.111 42.163 14.570 1.00 0.00 N ATOM 388 CA ASN A 25 42.704 43.437 14.010 1.00 0.00 C ATOM 389 C ASN A 25 42.966 44.593 14.977 1.00 0.00 C ATOM 390 O ASN A 25 43.416 45.658 14.559 1.00 0.00 O ATOM 391 CB ASN A 25 41.238 43.338 13.598 1.00 0.00 C ATOM 392 CG ASN A 25 40.854 44.401 12.566 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.626 44.772 11.685 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.629 44.917 12.616 1.00 0.00 N ATOM 0 H ASN A 25 42.335 41.614 14.940 1.00 0.00 H new ATOM 0 HA ASN A 25 43.304 43.659 13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.044 42.348 13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.607 43.446 14.480 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.340 45.612 11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.979 44.617 13.342 1.00 0.00 H new ATOM 401 N VAL A 26 42.778 44.397 16.279 1.00 0.00 N ATOM 402 CA VAL A 26 43.140 45.369 17.291 1.00 0.00 C ATOM 403 C VAL A 26 44.656 45.542 17.401 1.00 0.00 C ATOM 404 O VAL A 26 45.132 46.673 17.477 1.00 0.00 O ATOM 405 CB VAL A 26 42.483 45.043 18.630 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.933 45.973 19.753 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.968 45.184 18.519 1.00 0.00 C ATOM 0 H VAL A 26 42.364 43.546 16.660 1.00 0.00 H new ATOM 0 HA VAL A 26 42.750 46.337 16.976 1.00 0.00 H new ATOM 0 HB VAL A 26 42.782 44.022 18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.433 45.693 20.680 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.012 45.890 19.884 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.676 47.001 19.499 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.509 44.949 19.480 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.717 46.207 18.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.593 44.497 17.760 1.00 0.00 H new ATOM 417 N LYS A 27 45.440 44.474 17.280 1.00 0.00 N ATOM 418 CA LYS A 27 46.879 44.558 17.134 1.00 0.00 C ATOM 419 C LYS A 27 47.298 45.355 15.898 1.00 0.00 C ATOM 420 O LYS A 27 48.254 46.124 15.981 1.00 0.00 O ATOM 421 CB LYS A 27 47.488 43.159 17.073 1.00 0.00 C ATOM 422 CG LYS A 27 47.572 42.451 18.421 1.00 0.00 C ATOM 423 CD LYS A 27 48.185 41.069 18.212 1.00 0.00 C ATOM 424 CE LYS A 27 48.678 40.457 19.521 1.00 0.00 C ATOM 425 NZ LYS A 27 49.586 39.336 19.236 1.00 0.00 N ATOM 0 H LYS A 27 45.084 43.518 17.281 1.00 0.00 H new ATOM 0 HA LYS A 27 47.254 45.088 18.009 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.897 42.548 16.391 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.490 43.230 16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.179 43.032 19.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.580 42.361 18.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.445 40.409 17.760 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.016 41.144 17.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.193 41.212 20.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.831 40.109 20.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.865 38.880 20.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.102 38.643 18.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.433 39.691 18.748 1.00 0.00 H new ATOM 439 N ALA A 28 46.583 45.227 14.784 1.00 0.00 N ATOM 440 CA ALA A 28 46.823 46.030 13.602 1.00 0.00 C ATOM 441 C ALA A 28 46.478 47.507 13.803 1.00 0.00 C ATOM 442 O ALA A 28 47.226 48.361 13.333 1.00 0.00 O ATOM 443 CB ALA A 28 46.099 45.414 12.410 1.00 0.00 C ATOM 0 H ALA A 28 45.819 44.559 14.681 1.00 0.00 H new ATOM 0 HA ALA A 28 47.894 46.021 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.280 46.019 11.522 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.470 44.403 12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.029 45.379 12.613 1.00 0.00 H new ATOM 449 N LYS A 29 45.457 47.844 14.585 1.00 0.00 N ATOM 450 CA LYS A 29 45.181 49.210 14.980 1.00 0.00 C ATOM 451 C LYS A 29 46.316 49.821 15.804 1.00 0.00 C ATOM 452 O LYS A 29 46.661 50.980 15.588 1.00 0.00 O ATOM 453 CB LYS A 29 43.871 49.313 15.756 1.00 0.00 C ATOM 454 CG LYS A 29 42.657 49.029 14.878 1.00 0.00 C ATOM 455 CD LYS A 29 41.361 49.025 15.683 1.00 0.00 C ATOM 456 CE LYS A 29 40.139 48.951 14.774 1.00 0.00 C ATOM 457 NZ LYS A 29 40.032 47.658 14.080 1.00 0.00 N ATOM 0 H LYS A 29 44.795 47.166 14.963 1.00 0.00 H new ATOM 0 HA LYS A 29 45.093 49.779 14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.888 48.610 16.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.782 50.311 16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.594 49.781 14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.782 48.064 14.387 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.359 48.176 16.367 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.308 49.927 16.293 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.239 49.118 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.189 49.753 14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.315 47.725 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.951 47.413 13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.755 46.921 14.760 1.00 0.00 H new ATOM 471 N ILE A 30 46.907 49.037 16.701 1.00 0.00 N ATOM 472 CA ILE A 30 48.064 49.415 17.486 1.00 0.00 C ATOM 473 C ILE A 30 49.301 49.547 16.594 1.00 0.00 C ATOM 474 O ILE A 30 50.056 50.502 16.761 1.00 0.00 O ATOM 475 CB ILE A 30 48.258 48.445 18.648 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.104 48.578 19.637 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.586 48.667 19.365 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.018 47.448 20.659 1.00 0.00 C ATOM 0 H ILE A 30 46.579 48.093 16.903 1.00 0.00 H new ATOM 0 HA ILE A 30 47.899 50.398 17.927 1.00 0.00 H new ATOM 0 HB ILE A 30 48.273 47.437 18.234 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.203 49.525 20.168 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.168 48.621 19.081 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.681 47.954 20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.407 48.524 18.663 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.620 49.682 19.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.171 47.621 21.322 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.885 46.498 20.141 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.937 47.416 21.245 1.00 0.00 H new ATOM 490 N GLN A 31 49.494 48.678 15.606 1.00 0.00 N ATOM 491 CA GLN A 31 50.559 48.821 14.633 1.00 0.00 C ATOM 492 C GLN A 31 50.398 50.095 13.802 1.00 0.00 C ATOM 493 O GLN A 31 51.373 50.819 13.613 1.00 0.00 O ATOM 494 CB GLN A 31 50.652 47.585 13.743 1.00 0.00 C ATOM 495 CG GLN A 31 51.924 47.619 12.901 1.00 0.00 C ATOM 496 CD GLN A 31 52.119 46.371 12.039 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.212 45.572 11.812 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.327 46.145 11.530 1.00 0.00 N ATOM 0 H GLN A 31 48.911 47.854 15.462 1.00 0.00 H new ATOM 0 HA GLN A 31 51.497 48.912 15.181 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.642 46.686 14.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.780 47.534 13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.899 48.497 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.784 47.733 13.561 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.087 46.800 11.711 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.493 45.317 10.959 1.00 0.00 H new ATOM 507 N ASP A 32 49.189 50.421 13.353 1.00 0.00 N ATOM 508 CA ASP A 32 48.911 51.638 12.617 1.00 0.00 C ATOM 509 C ASP A 32 49.169 52.908 13.430 1.00 0.00 C ATOM 510 O ASP A 32 49.614 53.902 12.862 1.00 0.00 O ATOM 511 CB ASP A 32 47.480 51.625 12.087 1.00 0.00 C ATOM 512 CG ASP A 32 47.242 50.681 10.907 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.161 50.474 10.086 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.098 50.197 10.757 1.00 0.00 O ATOM 0 H ASP A 32 48.367 49.834 13.495 1.00 0.00 H new ATOM 0 HA ASP A 32 49.609 51.660 11.780 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.809 51.345 12.899 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.210 52.637 11.785 1.00 0.00 H new ATOM 519 N LYS A 33 48.932 52.885 14.739 1.00 0.00 N ATOM 520 CA LYS A 33 49.081 54.034 15.610 1.00 0.00 C ATOM 521 C LYS A 33 50.474 54.194 16.222 1.00 0.00 C ATOM 522 O LYS A 33 50.967 55.319 16.271 1.00 0.00 O ATOM 523 CB LYS A 33 47.962 53.995 16.647 1.00 0.00 C ATOM 524 CG LYS A 33 47.868 55.269 17.483 1.00 0.00 C ATOM 525 CD LYS A 33 46.509 55.340 18.174 1.00 0.00 C ATOM 526 CE LYS A 33 46.297 56.611 18.991 1.00 0.00 C ATOM 527 NZ LYS A 33 46.255 57.824 18.159 1.00 0.00 N ATOM 0 H LYS A 33 48.624 52.045 15.229 1.00 0.00 H new ATOM 0 HA LYS A 33 48.987 54.936 15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.011 53.831 16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.120 53.145 17.310 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.665 55.286 18.227 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.008 56.143 16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.725 55.269 17.420 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.400 54.476 18.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.365 56.527 19.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.100 56.705 19.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 46.058 58.650 18.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.172 57.951 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.505 57.729 17.445 1.00 0.00 H new ATOM 541 N GLU A 34 51.121 53.117 16.658 1.00 0.00 N ATOM 542 CA GLU A 34 52.378 53.115 17.378 1.00 0.00 C ATOM 543 C GLU A 34 53.549 52.477 16.628 1.00 0.00 C ATOM 544 O GLU A 34 54.697 52.755 16.966 1.00 0.00 O ATOM 545 CB GLU A 34 52.204 52.391 18.710 1.00 0.00 C ATOM 546 CG GLU A 34 51.314 53.104 19.725 1.00 0.00 C ATOM 547 CD GLU A 34 51.965 54.372 20.283 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.072 54.295 20.857 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.381 55.469 20.154 1.00 0.00 O ATOM 0 H GLU A 34 50.758 52.176 16.508 1.00 0.00 H new ATOM 0 HA GLU A 34 52.633 54.166 17.513 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.788 51.402 18.516 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.188 52.241 19.155 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.366 53.363 19.254 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.087 52.424 20.546 1.00 0.00 H new ATOM 556 N GLY A 35 53.303 51.642 15.622 1.00 0.00 N ATOM 557 CA GLY A 35 54.326 51.005 14.819 1.00 0.00 C ATOM 558 C GLY A 35 54.810 49.634 15.297 1.00 0.00 C ATOM 559 O GLY A 35 55.794 49.125 14.766 1.00 0.00 O ATOM 0 H GLY A 35 52.357 51.387 15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.946 50.898 13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.186 51.673 14.769 1.00 0.00 H new ATOM 563 N ILE A 36 54.149 49.018 16.273 1.00 0.00 N ATOM 564 CA ILE A 36 54.582 47.795 16.919 1.00 0.00 C ATOM 565 C ILE A 36 54.102 46.575 16.130 1.00 0.00 C ATOM 566 O ILE A 36 52.890 46.436 15.981 1.00 0.00 O ATOM 567 CB ILE A 36 54.089 47.751 18.362 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.480 48.986 19.167 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.619 46.503 19.064 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.679 49.149 20.456 1.00 0.00 C ATOM 0 H ILE A 36 53.268 49.373 16.644 1.00 0.00 H new ATOM 0 HA ILE A 36 55.672 47.774 16.937 1.00 0.00 H new ATOM 0 HB ILE A 36 53.000 47.726 18.313 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.541 48.930 19.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.342 49.873 18.548 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.260 46.484 20.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.267 45.614 18.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.709 46.519 19.061 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.009 50.047 20.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.619 49.237 20.217 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.836 48.280 21.094 1.00 0.00 H new ATOM 582 N PRO A 37 54.955 45.667 15.666 1.00 0.00 N ATOM 583 CA PRO A 37 54.534 44.505 14.909 1.00 0.00 C ATOM 584 C PRO A 37 53.639 43.547 15.698 1.00 0.00 C ATOM 585 O PRO A 37 53.892 43.326 16.881 1.00 0.00 O ATOM 586 CB PRO A 37 55.807 43.806 14.437 1.00 0.00 C ATOM 587 CG PRO A 37 56.857 44.914 14.467 1.00 0.00 C ATOM 588 CD PRO A 37 56.400 45.765 15.649 1.00 0.00 C ATOM 0 HA PRO A 37 53.915 44.829 14.072 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.078 42.979 15.094 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.689 43.392 13.436 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.862 44.518 14.616 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.873 45.484 13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.828 45.401 16.583 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.721 46.800 15.534 1.00 0.00 H new ATOM 596 N PRO A 38 52.612 42.949 15.101 1.00 0.00 N ATOM 597 CA PRO A 38 51.591 42.204 15.809 1.00 0.00 C ATOM 598 C PRO A 38 52.090 40.949 16.528 1.00 0.00 C ATOM 599 O PRO A 38 51.542 40.617 17.578 1.00 0.00 O ATOM 600 CB PRO A 38 50.529 41.862 14.768 1.00 0.00 C ATOM 601 CG PRO A 38 51.276 41.912 13.439 1.00 0.00 C ATOM 602 CD PRO A 38 52.265 43.046 13.698 1.00 0.00 C ATOM 0 HA PRO A 38 51.203 42.818 16.621 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.100 40.876 14.946 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.706 42.577 14.789 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.778 40.971 13.213 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.612 42.128 12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.149 42.946 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.819 44.014 13.471 1.00 0.00 H new ATOM 610 N ASP A 39 53.131 40.279 16.045 1.00 0.00 N ATOM 611 CA ASP A 39 53.677 39.116 16.714 1.00 0.00 C ATOM 612 C ASP A 39 54.451 39.475 17.985 1.00 0.00 C ATOM 613 O ASP A 39 54.508 38.683 18.922 1.00 0.00 O ATOM 614 CB ASP A 39 54.535 38.319 15.736 1.00 0.00 C ATOM 615 CG ASP A 39 55.074 37.033 16.369 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.310 36.856 16.401 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.255 36.225 16.857 1.00 0.00 O ATOM 0 H ASP A 39 53.614 40.530 15.182 1.00 0.00 H new ATOM 0 HA ASP A 39 52.844 38.495 17.043 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.945 38.070 14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.369 38.935 15.398 1.00 0.00 H new ATOM 622 N GLN A 40 55.001 40.683 18.058 1.00 0.00 N ATOM 623 CA GLN A 40 55.688 41.209 19.221 1.00 0.00 C ATOM 624 C GLN A 40 54.728 41.696 20.306 1.00 0.00 C ATOM 625 O GLN A 40 55.135 41.819 21.460 1.00 0.00 O ATOM 626 CB GLN A 40 56.629 42.330 18.788 1.00 0.00 C ATOM 627 CG GLN A 40 58.061 41.894 18.492 1.00 0.00 C ATOM 628 CD GLN A 40 58.283 41.030 17.248 1.00 0.00 C ATOM 629 OE1 GLN A 40 57.415 40.772 16.417 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.503 40.533 17.065 1.00 0.00 N ATOM 0 H GLN A 40 54.977 41.341 17.279 1.00 0.00 H new ATOM 0 HA GLN A 40 56.261 40.395 19.665 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.218 42.804 17.897 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.651 43.088 19.571 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.674 42.790 18.396 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.433 41.344 19.357 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.241 40.732 17.740 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.700 39.953 16.250 1.00 0.00 H new ATOM 639 N GLN A 41 53.465 41.964 19.982 1.00 0.00 N ATOM 640 CA GLN A 41 52.481 42.449 20.928 1.00 0.00 C ATOM 641 C GLN A 41 51.916 41.330 21.804 1.00 0.00 C ATOM 642 O GLN A 41 51.571 40.261 21.306 1.00 0.00 O ATOM 643 CB GLN A 41 51.339 43.162 20.210 1.00 0.00 C ATOM 644 CG GLN A 41 51.728 44.439 19.469 1.00 0.00 C ATOM 645 CD GLN A 41 50.529 45.100 18.787 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.438 45.189 19.348 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.656 45.581 17.554 1.00 0.00 N ATOM 0 H GLN A 41 53.098 41.846 19.038 1.00 0.00 H new ATOM 0 HA GLN A 41 52.998 43.155 21.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.892 42.470 19.496 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.569 43.407 20.941 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.177 45.142 20.171 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.486 44.206 18.721 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.552 45.517 17.071 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.857 46.014 17.091 1.00 0.00 H new ATOM 656 N ARG A 42 51.723 41.608 23.091 1.00 0.00 N ATOM 657 CA ARG A 42 50.896 40.851 24.009 1.00 0.00 C ATOM 658 C ARG A 42 49.916 41.789 24.718 1.00 0.00 C ATOM 659 O ARG A 42 50.349 42.768 25.321 1.00 0.00 O ATOM 660 CB ARG A 42 51.756 40.138 25.049 1.00 0.00 C ATOM 661 CG ARG A 42 52.706 39.093 24.470 1.00 0.00 C ATOM 662 CD ARG A 42 51.973 37.877 23.910 1.00 0.00 C ATOM 663 NE ARG A 42 52.920 36.880 23.411 1.00 0.00 N ATOM 664 CZ ARG A 42 53.456 36.838 22.184 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.209 37.781 21.264 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.289 35.840 21.859 1.00 0.00 N ATOM 0 H ARG A 42 52.165 42.411 23.539 1.00 0.00 H new ATOM 0 HA ARG A 42 50.344 40.104 23.438 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.340 40.881 25.592 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.102 39.655 25.775 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.302 39.548 23.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.399 38.769 25.246 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.349 37.435 24.686 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.308 38.188 23.104 1.00 0.00 H new ATOM 0 HE ARG A 42 53.199 36.145 24.061 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.595 38.564 21.488 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.635 37.716 20.340 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.512 35.118 22.544 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.700 35.802 20.926 1.00 0.00 H new ATOM 680 N LEU A 43 48.620 41.502 24.637 1.00 0.00 N ATOM 681 CA LEU A 43 47.572 42.283 25.262 1.00 0.00 C ATOM 682 C LEU A 43 46.995 41.557 26.478 1.00 0.00 C ATOM 683 O LEU A 43 46.764 40.350 26.430 1.00 0.00 O ATOM 684 CB LEU A 43 46.493 42.628 24.240 1.00 0.00 C ATOM 685 CG LEU A 43 46.921 43.619 23.160 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.859 43.710 22.069 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.123 45.023 23.723 1.00 0.00 C ATOM 0 H LEU A 43 48.267 40.697 24.120 1.00 0.00 H new ATOM 0 HA LEU A 43 48.000 43.217 25.625 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.163 41.708 23.758 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.632 43.038 24.768 1.00 0.00 H new ATOM 0 HG LEU A 43 47.864 43.250 22.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.180 44.421 21.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.719 42.729 21.614 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.918 44.045 22.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.427 45.696 22.921 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.190 45.377 24.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.897 45.000 24.490 1.00 0.00 H new ATOM 699 N ILE A 44 46.761 42.293 27.561 1.00 0.00 N ATOM 700 CA ILE A 44 46.278 41.793 28.832 1.00 0.00 C ATOM 701 C ILE A 44 45.089 42.628 29.311 1.00 0.00 C ATOM 702 O ILE A 44 45.105 43.854 29.209 1.00 0.00 O ATOM 703 CB ILE A 44 47.376 41.734 29.889 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.733 41.220 29.415 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.927 40.825 31.030 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.661 42.289 28.844 1.00 0.00 C ATOM 0 H ILE A 44 46.912 43.302 27.570 1.00 0.00 H new ATOM 0 HA ILE A 44 45.946 40.767 28.677 1.00 0.00 H new ATOM 0 HB ILE A 44 47.521 42.772 30.187 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.234 40.734 30.252 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.571 40.456 28.654 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.709 40.780 31.788 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.014 41.222 31.474 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.737 39.823 30.644 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.599 41.829 28.535 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.187 42.760 27.983 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.861 43.042 29.606 1.00 0.00 H new ATOM 718 N PHE A 45 44.062 41.977 29.849 1.00 0.00 N ATOM 719 CA PHE A 45 42.906 42.600 30.463 1.00 0.00 C ATOM 720 C PHE A 45 42.451 41.820 31.697 1.00 0.00 C ATOM 721 O PHE A 45 42.190 40.624 31.589 1.00 0.00 O ATOM 722 CB PHE A 45 41.772 42.657 29.443 1.00 0.00 C ATOM 723 CG PHE A 45 40.504 43.313 29.934 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.512 44.665 30.296 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.312 42.583 30.012 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.334 45.290 30.724 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.127 43.211 30.415 1.00 0.00 C ATOM 728 CZ PHE A 45 38.137 44.567 30.766 1.00 0.00 C ATOM 0 H PHE A 45 44.016 40.958 29.867 1.00 0.00 H new ATOM 0 HA PHE A 45 43.177 43.607 30.781 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.123 43.194 28.562 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.538 41.641 29.125 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.431 45.229 30.245 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.306 41.533 29.761 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.350 46.328 31.021 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.205 42.650 30.455 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.222 45.054 31.069 1.00 0.00 H new ATOM 738 N ALA A 46 42.329 42.473 32.850 1.00 0.00 N ATOM 739 CA ALA A 46 41.770 41.905 34.060 1.00 0.00 C ATOM 740 C ALA A 46 42.315 40.529 34.450 1.00 0.00 C ATOM 741 O ALA A 46 41.576 39.641 34.868 1.00 0.00 O ATOM 742 CB ALA A 46 40.248 41.978 33.978 1.00 0.00 C ATOM 0 H ALA A 46 42.628 43.442 32.965 1.00 0.00 H new ATOM 0 HA ALA A 46 42.108 42.513 34.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.814 41.553 34.883 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.938 43.019 33.881 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.903 41.414 33.111 1.00 0.00 H new ATOM 748 N GLY A 47 43.618 40.313 34.295 1.00 0.00 N ATOM 749 CA GLY A 47 44.268 39.044 34.558 1.00 0.00 C ATOM 750 C GLY A 47 44.162 37.980 33.464 1.00 0.00 C ATOM 751 O GLY A 47 44.566 36.845 33.706 1.00 0.00 O ATOM 0 H GLY A 47 44.262 41.036 33.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.325 39.235 34.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.850 38.631 35.476 1.00 0.00 H new ATOM 755 N LYS A 48 43.649 38.299 32.279 1.00 0.00 N ATOM 756 CA LYS A 48 43.585 37.443 31.112 1.00 0.00 C ATOM 757 C LYS A 48 44.532 37.932 30.014 1.00 0.00 C ATOM 758 O LYS A 48 44.405 39.080 29.593 1.00 0.00 O ATOM 759 CB LYS A 48 42.159 37.409 30.569 1.00 0.00 C ATOM 760 CG LYS A 48 41.135 36.770 31.502 1.00 0.00 C ATOM 761 CD LYS A 48 39.752 36.821 30.860 1.00 0.00 C ATOM 762 CE LYS A 48 38.685 36.197 31.753 1.00 0.00 C ATOM 763 NZ LYS A 48 37.341 36.384 31.182 1.00 0.00 N ATOM 0 H LYS A 48 43.244 39.219 32.104 1.00 0.00 H new ATOM 0 HA LYS A 48 43.891 36.441 31.414 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.844 38.429 30.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.158 36.866 29.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.413 35.736 31.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.122 37.294 32.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.488 37.857 30.649 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.776 36.298 29.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.886 35.133 31.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.728 36.647 32.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.634 35.950 31.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.142 37.400 31.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.296 35.934 30.246 1.00 0.00 H new ATOM 777 N GLN A 49 45.426 37.092 29.501 1.00 0.00 N ATOM 778 CA GLN A 49 46.162 37.395 28.290 1.00 0.00 C ATOM 779 C GLN A 49 45.317 37.059 27.060 1.00 0.00 C ATOM 780 O GLN A 49 44.816 35.945 26.915 1.00 0.00 O ATOM 781 CB GLN A 49 47.529 36.717 28.247 1.00 0.00 C ATOM 782 CG GLN A 49 48.416 37.408 27.215 1.00 0.00 C ATOM 783 CD GLN A 49 49.663 36.606 26.836 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.616 35.761 25.945 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.816 36.837 27.457 1.00 0.00 N ATOM 0 H GLN A 49 45.656 36.188 29.914 1.00 0.00 H new ATOM 0 HA GLN A 49 46.364 38.466 28.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.998 36.760 29.230 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.415 35.663 27.994 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.830 37.598 26.315 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.724 38.378 27.606 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.865 37.536 28.198 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.651 36.315 27.192 1.00 0.00 H new ATOM 794 N LEU A 50 45.168 38.028 26.161 1.00 0.00 N ATOM 795 CA LEU A 50 44.248 37.944 25.045 1.00 0.00 C ATOM 796 C LEU A 50 44.852 37.151 23.884 1.00 0.00 C ATOM 797 O LEU A 50 46.023 37.308 23.550 1.00 0.00 O ATOM 798 CB LEU A 50 43.774 39.337 24.643 1.00 0.00 C ATOM 799 CG LEU A 50 43.275 40.223 25.782 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.748 41.550 25.242 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.153 39.573 26.587 1.00 0.00 C ATOM 0 H LEU A 50 45.692 38.902 26.193 1.00 0.00 H new ATOM 0 HA LEU A 50 43.364 37.387 25.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.596 39.849 24.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.972 39.231 23.912 1.00 0.00 H new ATOM 0 HG LEU A 50 44.134 40.379 26.434 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.397 42.166 26.070 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.547 42.071 24.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.923 41.361 24.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.838 40.248 27.383 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.307 39.366 25.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.511 38.640 27.023 1.00 0.00 H new ATOM 813 N GLU A 51 44.047 36.287 23.272 1.00 0.00 N ATOM 814 CA GLU A 51 44.449 35.406 22.194 1.00 0.00 C ATOM 815 C GLU A 51 44.134 35.977 20.810 1.00 0.00 C ATOM 816 O GLU A 51 43.051 36.509 20.579 1.00 0.00 O ATOM 817 CB GLU A 51 43.793 34.038 22.350 1.00 0.00 C ATOM 818 CG GLU A 51 44.361 33.245 23.524 1.00 0.00 C ATOM 819 CD GLU A 51 43.539 31.990 23.828 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.311 31.716 25.026 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.105 31.292 22.887 1.00 0.00 O ATOM 0 H GLU A 51 43.065 36.182 23.526 1.00 0.00 H new ATOM 0 HA GLU A 51 45.532 35.306 22.263 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.720 34.168 22.489 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.929 33.467 21.431 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.389 32.959 23.303 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.390 33.881 24.409 1.00 0.00 H new ATOM 828 N ASP A 52 45.038 35.777 19.855 1.00 0.00 N ATOM 829 CA ASP A 52 44.953 36.264 18.493 1.00 0.00 C ATOM 830 C ASP A 52 43.801 35.676 17.674 1.00 0.00 C ATOM 831 O ASP A 52 43.631 36.054 16.518 1.00 0.00 O ATOM 832 CB ASP A 52 46.281 36.025 17.779 1.00 0.00 C ATOM 833 CG ASP A 52 47.460 36.842 18.311 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.890 37.816 17.658 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.038 36.479 19.358 1.00 0.00 O ATOM 0 H ASP A 52 45.890 35.243 20.025 1.00 0.00 H new ATOM 0 HA ASP A 52 44.739 37.330 18.569 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.530 34.966 17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 46.152 36.249 16.720 1.00 0.00 H new ATOM 840 N GLY A 53 43.002 34.769 18.227 1.00 0.00 N ATOM 841 CA GLY A 53 41.890 34.080 17.604 1.00 0.00 C ATOM 842 C GLY A 53 40.503 34.400 18.164 1.00 0.00 C ATOM 843 O GLY A 53 39.588 33.615 17.930 1.00 0.00 O ATOM 0 H GLY A 53 43.130 34.478 19.196 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.893 34.315 16.540 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.057 33.007 17.694 1.00 0.00 H new ATOM 847 N ARG A 54 40.330 35.473 18.930 1.00 0.00 N ATOM 848 CA ARG A 54 39.105 35.800 19.631 1.00 0.00 C ATOM 849 C ARG A 54 38.659 37.257 19.479 1.00 0.00 C ATOM 850 O ARG A 54 39.426 38.112 19.043 1.00 0.00 O ATOM 851 CB ARG A 54 39.254 35.428 21.103 1.00 0.00 C ATOM 852 CG ARG A 54 39.192 33.921 21.334 1.00 0.00 C ATOM 853 CD ARG A 54 39.331 33.551 22.808 1.00 0.00 C ATOM 854 NE ARG A 54 39.341 32.098 22.981 1.00 0.00 N ATOM 855 CZ ARG A 54 38.279 31.281 22.987 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.006 31.697 23.022 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.473 29.955 22.944 1.00 0.00 N ATOM 0 H ARG A 54 41.069 36.160 19.081 1.00 0.00 H new ATOM 0 HA ARG A 54 38.312 35.214 19.167 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.204 35.811 21.477 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.466 35.913 21.679 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.246 33.537 20.954 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.985 33.436 20.764 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.251 33.976 23.209 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.507 33.984 23.375 1.00 0.00 H new ATOM 0 HE ARG A 54 40.253 31.661 23.111 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.796 32.695 23.046 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.247 31.016 23.024 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.421 29.579 22.907 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.673 29.322 22.948 1.00 0.00 H new ATOM 871 N THR A 55 37.414 37.522 19.864 1.00 0.00 N ATOM 872 CA THR A 55 36.762 38.815 19.890 1.00 0.00 C ATOM 873 C THR A 55 36.782 39.490 21.263 1.00 0.00 C ATOM 874 O THR A 55 36.825 38.833 22.301 1.00 0.00 O ATOM 875 CB THR A 55 35.302 38.738 19.454 1.00 0.00 C ATOM 876 OG1 THR A 55 34.601 37.770 20.202 1.00 0.00 O ATOM 877 CG2 THR A 55 35.119 38.399 17.977 1.00 0.00 C ATOM 0 H THR A 55 36.794 36.780 20.189 1.00 0.00 H new ATOM 0 HA THR A 55 37.346 39.409 19.187 1.00 0.00 H new ATOM 0 HB THR A 55 34.906 39.738 19.630 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.667 37.740 19.905 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.055 38.362 17.741 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.600 39.163 17.366 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.571 37.430 17.767 1.00 0.00 H new ATOM 885 N LEU A 56 36.663 40.815 21.277 1.00 0.00 N ATOM 886 CA LEU A 56 36.484 41.604 22.479 1.00 0.00 C ATOM 887 C LEU A 56 35.211 41.229 23.240 1.00 0.00 C ATOM 888 O LEU A 56 35.228 41.171 24.468 1.00 0.00 O ATOM 889 CB LEU A 56 36.505 43.085 22.110 1.00 0.00 C ATOM 890 CG LEU A 56 37.888 43.726 22.148 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.903 43.113 21.188 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.781 45.215 21.826 1.00 0.00 C ATOM 0 H LEU A 56 36.690 41.378 20.427 1.00 0.00 H new ATOM 0 HA LEU A 56 37.308 41.390 23.160 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.091 43.203 21.109 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.849 43.626 22.792 1.00 0.00 H new ATOM 0 HG LEU A 56 38.253 43.547 23.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.856 43.633 21.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 39.039 42.058 21.427 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.540 43.209 20.165 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.773 45.666 21.855 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.354 45.342 20.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.140 45.701 22.561 1.00 0.00 H new ATOM 904 N SER A 57 34.125 40.920 22.540 1.00 0.00 N ATOM 905 CA SER A 57 32.868 40.488 23.118 1.00 0.00 C ATOM 906 C SER A 57 32.929 39.112 23.783 1.00 0.00 C ATOM 907 O SER A 57 32.297 38.933 24.821 1.00 0.00 O ATOM 908 CB SER A 57 31.763 40.545 22.067 1.00 0.00 C ATOM 909 OG SER A 57 32.106 39.812 20.912 1.00 0.00 O ATOM 0 H SER A 57 34.100 40.967 21.521 1.00 0.00 H new ATOM 0 HA SER A 57 32.642 41.185 23.925 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.839 40.150 22.488 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.571 41.583 21.796 1.00 0.00 H new ATOM 0 HG SER A 57 31.684 40.221 20.128 1.00 0.00 H new ATOM 915 N ASP A 58 33.721 38.168 23.279 1.00 0.00 N ATOM 916 CA ASP A 58 33.995 36.908 23.940 1.00 0.00 C ATOM 917 C ASP A 58 34.798 37.095 25.229 1.00 0.00 C ATOM 918 O ASP A 58 34.598 36.360 26.194 1.00 0.00 O ATOM 919 CB ASP A 58 34.710 35.967 22.974 1.00 0.00 C ATOM 920 CG ASP A 58 34.820 34.537 23.505 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.921 34.130 23.935 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.815 33.797 23.428 1.00 0.00 O ATOM 0 H ASP A 58 34.196 38.266 22.382 1.00 0.00 H new ATOM 0 HA ASP A 58 33.043 36.464 24.232 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.176 35.956 22.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.710 36.352 22.773 1.00 0.00 H new ATOM 927 N TYR A 59 35.650 38.114 25.287 1.00 0.00 N ATOM 928 CA TYR A 59 36.393 38.518 26.465 1.00 0.00 C ATOM 929 C TYR A 59 35.657 39.478 27.402 1.00 0.00 C ATOM 930 O TYR A 59 36.231 39.848 28.424 1.00 0.00 O ATOM 931 CB TYR A 59 37.745 39.083 26.037 1.00 0.00 C ATOM 932 CG TYR A 59 38.816 38.048 25.786 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.345 37.332 26.866 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.331 37.852 24.499 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.367 36.396 26.666 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.371 36.938 24.294 1.00 0.00 C ATOM 937 CZ TYR A 59 40.887 36.192 25.373 1.00 0.00 C ATOM 938 OH TYR A 59 41.887 35.289 25.156 1.00 0.00 O ATOM 0 H TYR A 59 35.846 38.703 24.477 1.00 0.00 H new ATOM 0 HA TYR A 59 36.528 37.619 27.066 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.606 39.669 25.128 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.096 39.769 26.808 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.962 37.503 27.861 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.926 38.406 23.665 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.756 35.832 27.501 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.780 36.804 23.304 1.00 0.00 H new ATOM 0 HH TYR A 59 41.498 34.412 24.956 1.00 0.00 H new ATOM 948 N ASN A 60 34.427 39.898 27.122 1.00 0.00 N ATOM 949 CA ASN A 60 33.703 40.886 27.896 1.00 0.00 C ATOM 950 C ASN A 60 34.453 42.205 28.095 1.00 0.00 C ATOM 951 O ASN A 60 34.389 42.832 29.150 1.00 0.00 O ATOM 952 CB ASN A 60 33.160 40.260 29.178 1.00 0.00 C ATOM 953 CG ASN A 60 32.049 41.069 29.850 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.469 42.004 29.302 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.693 40.696 31.075 1.00 0.00 N ATOM 0 H ASN A 60 33.896 39.546 26.325 1.00 0.00 H new ATOM 0 HA ASN A 60 32.842 41.198 27.305 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.781 39.264 28.950 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.981 40.135 29.884 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.940 41.185 31.558 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.173 39.920 31.532 1.00 0.00 H new ATOM 962 N ILE A 61 35.178 42.642 27.070 1.00 0.00 N ATOM 963 CA ILE A 61 35.798 43.950 27.012 1.00 0.00 C ATOM 964 C ILE A 61 34.714 44.940 26.576 1.00 0.00 C ATOM 965 O ILE A 61 34.224 44.878 25.451 1.00 0.00 O ATOM 966 CB ILE A 61 37.009 43.919 26.083 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.116 43.068 26.698 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.538 45.322 25.795 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.191 42.612 25.715 1.00 0.00 C ATOM 0 H ILE A 61 35.352 42.078 26.238 1.00 0.00 H new ATOM 0 HA ILE A 61 36.187 44.264 27.981 1.00 0.00 H new ATOM 0 HB ILE A 61 36.689 43.481 25.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.591 43.637 27.497 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.666 42.188 27.157 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.400 45.257 25.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.757 45.915 25.319 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.836 45.797 26.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.935 42.014 26.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.734 42.012 24.928 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.673 43.484 25.273 1.00 0.00 H new ATOM 981 N GLN A 62 34.313 45.818 27.491 1.00 0.00 N ATOM 982 CA GLN A 62 33.253 46.792 27.319 1.00 0.00 C ATOM 983 C GLN A 62 33.799 48.175 26.964 1.00 0.00 C ATOM 984 O GLN A 62 35.007 48.402 27.015 1.00 0.00 O ATOM 985 CB GLN A 62 32.405 46.841 28.587 1.00 0.00 C ATOM 986 CG GLN A 62 31.888 45.480 29.044 1.00 0.00 C ATOM 987 CD GLN A 62 30.699 45.533 30.007 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.278 46.572 30.508 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.092 44.383 30.287 1.00 0.00 N ATOM 0 H GLN A 62 34.742 45.867 28.415 1.00 0.00 H new ATOM 0 HA GLN A 62 32.630 46.482 26.480 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.996 47.281 29.390 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.555 47.502 28.418 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.600 44.903 28.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.704 44.941 29.526 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.433 43.513 29.877 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.286 44.371 30.912 1.00 0.00 H new ATOM 998 N LYS A 63 32.926 49.140 26.685 1.00 0.00 N ATOM 999 CA LYS A 63 33.287 50.538 26.579 1.00 0.00 C ATOM 1000 C LYS A 63 34.010 51.058 27.822 1.00 0.00 C ATOM 1001 O LYS A 63 33.760 50.599 28.934 1.00 0.00 O ATOM 1002 CB LYS A 63 32.052 51.370 26.242 1.00 0.00 C ATOM 1003 CG LYS A 63 30.969 51.374 27.316 1.00 0.00 C ATOM 1004 CD LYS A 63 29.709 52.069 26.808 1.00 0.00 C ATOM 1005 CE LYS A 63 28.634 52.083 27.890 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.430 52.796 27.439 1.00 0.00 N ATOM 0 H LYS A 63 31.934 48.962 26.525 1.00 0.00 H new ATOM 0 HA LYS A 63 34.004 50.637 25.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.364 52.398 26.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.621 50.995 25.313 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.734 50.350 27.606 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.336 51.882 28.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.945 53.090 26.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.335 51.555 25.922 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.373 51.060 28.160 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.026 52.559 28.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.718 52.788 28.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.676 53.779 27.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.044 52.326 26.596 1.00 0.00 H new ATOM 1020 N GLU A 64 34.938 51.990 27.619 1.00 0.00 N ATOM 1021 CA GLU A 64 35.838 52.539 28.612 1.00 0.00 C ATOM 1022 C GLU A 64 36.717 51.507 29.321 1.00 0.00 C ATOM 1023 O GLU A 64 37.222 51.763 30.412 1.00 0.00 O ATOM 1024 CB GLU A 64 35.113 53.463 29.586 1.00 0.00 C ATOM 1025 CG GLU A 64 34.226 54.547 28.980 1.00 0.00 C ATOM 1026 CD GLU A 64 34.997 55.604 28.187 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.834 56.335 28.759 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.718 55.769 26.980 1.00 0.00 O ATOM 0 H GLU A 64 35.085 52.403 26.698 1.00 0.00 H new ATOM 0 HA GLU A 64 36.546 53.146 28.048 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.497 52.848 30.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.861 53.948 30.214 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.492 54.078 28.325 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.672 55.039 29.779 1.00 0.00 H new ATOM 1035 N SER A 65 36.935 50.324 28.753 1.00 0.00 N ATOM 1036 CA SER A 65 37.881 49.361 29.279 1.00 0.00 C ATOM 1037 C SER A 65 39.329 49.814 29.077 1.00 0.00 C ATOM 1038 O SER A 65 39.663 50.393 28.046 1.00 0.00 O ATOM 1039 CB SER A 65 37.721 47.987 28.635 1.00 0.00 C ATOM 1040 OG SER A 65 36.479 47.408 28.966 1.00 0.00 O ATOM 0 H SER A 65 36.454 50.011 27.910 1.00 0.00 H new ATOM 0 HA SER A 65 37.662 49.291 30.345 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.805 48.079 27.552 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.529 47.333 28.963 1.00 0.00 H new ATOM 0 HG SER A 65 35.799 47.703 28.325 1.00 0.00 H new ATOM 1046 N THR A 66 40.198 49.479 30.027 1.00 0.00 N ATOM 1047 CA THR A 66 41.627 49.709 29.953 1.00 0.00 C ATOM 1048 C THR A 66 42.374 48.382 29.806 1.00 0.00 C ATOM 1049 O THR A 66 42.414 47.567 30.726 1.00 0.00 O ATOM 1050 CB THR A 66 42.113 50.500 31.165 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.510 51.773 31.187 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.616 50.760 31.122 1.00 0.00 C ATOM 0 H THR A 66 39.912 49.026 30.895 1.00 0.00 H new ATOM 0 HA THR A 66 41.839 50.309 29.068 1.00 0.00 H new ATOM 0 HB THR A 66 41.855 49.899 32.037 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.827 52.272 31.969 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.913 51.326 32.005 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.149 49.810 31.104 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.861 51.331 30.226 1.00 0.00 H new ATOM 1060 N LEU A 67 42.976 48.173 28.639 1.00 0.00 N ATOM 1061 CA LEU A 67 43.889 47.086 28.349 1.00 0.00 C ATOM 1062 C LEU A 67 45.317 47.469 28.743 1.00 0.00 C ATOM 1063 O LEU A 67 45.644 48.651 28.823 1.00 0.00 O ATOM 1064 CB LEU A 67 43.842 46.716 26.870 1.00 0.00 C ATOM 1065 CG LEU A 67 42.480 46.573 26.196 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.680 46.102 24.758 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.568 45.565 26.889 1.00 0.00 C ATOM 0 H LEU A 67 42.830 48.787 27.838 1.00 0.00 H new ATOM 0 HA LEU A 67 43.578 46.220 28.934 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.405 47.471 26.322 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.373 45.772 26.748 1.00 0.00 H new ATOM 0 HG LEU A 67 42.004 47.552 26.248 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.710 45.998 24.271 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.282 46.832 24.216 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.191 45.139 24.758 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.616 45.511 26.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.041 44.583 26.885 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.394 45.879 27.918 1.00 0.00 H new ATOM 1079 N HIS A 68 46.199 46.487 28.906 1.00 0.00 N ATOM 1080 CA HIS A 68 47.632 46.678 28.992 1.00 0.00 C ATOM 1081 C HIS A 68 48.332 45.970 27.829 1.00 0.00 C ATOM 1082 O HIS A 68 47.837 44.962 27.326 1.00 0.00 O ATOM 1083 CB HIS A 68 48.153 46.205 30.347 1.00 0.00 C ATOM 1084 CG HIS A 68 47.674 47.042 31.502 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.410 48.029 32.153 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.439 46.951 32.090 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.617 48.510 33.113 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.424 47.894 33.099 1.00 0.00 N ATOM 0 H HIS A 68 45.921 45.509 28.984 1.00 0.00 H new ATOM 0 HA HIS A 68 47.857 47.742 28.912 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.844 45.172 30.505 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.243 46.213 30.331 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.639 46.278 31.819 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.897 49.289 33.807 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.642 48.089 33.725 1.00 0.00 H new ATOM 1096 N LEU A 69 49.477 46.495 27.407 1.00 0.00 N ATOM 1097 CA LEU A 69 50.300 46.034 26.306 1.00 0.00 C ATOM 1098 C LEU A 69 51.737 45.815 26.782 1.00 0.00 C ATOM 1099 O LEU A 69 52.347 46.716 27.354 1.00 0.00 O ATOM 1100 CB LEU A 69 50.216 47.063 25.181 1.00 0.00 C ATOM 1101 CG LEU A 69 51.166 46.873 24.003 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.958 45.562 23.250 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.965 48.012 23.007 1.00 0.00 C ATOM 0 H LEU A 69 49.880 47.314 27.862 1.00 0.00 H new ATOM 0 HA LEU A 69 49.942 45.076 25.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.196 47.065 24.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.398 48.049 25.608 1.00 0.00 H new ATOM 0 HG LEU A 69 52.171 46.860 24.425 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.669 45.498 22.427 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.113 44.724 23.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.942 45.526 22.856 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.642 47.881 22.163 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.935 48.006 22.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.174 48.964 23.495 1.00 0.00 H new ATOM 1115 N VAL A 70 52.284 44.636 26.499 1.00 0.00 N ATOM 1116 CA VAL A 70 53.651 44.250 26.786 1.00 0.00 C ATOM 1117 C VAL A 70 54.300 43.733 25.501 1.00 0.00 C ATOM 1118 O VAL A 70 53.638 43.110 24.674 1.00 0.00 O ATOM 1119 CB VAL A 70 53.696 43.231 27.922 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.116 42.793 28.269 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.096 43.792 29.207 1.00 0.00 C ATOM 0 H VAL A 70 51.756 43.893 26.042 1.00 0.00 H new ATOM 0 HA VAL A 70 54.222 45.113 27.129 1.00 0.00 H new ATOM 0 HB VAL A 70 53.120 42.382 27.552 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.085 42.069 29.083 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.580 42.336 27.395 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.699 43.661 28.578 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.146 43.037 29.992 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.657 44.674 29.516 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.055 44.066 29.033 1.00 0.00 H new ATOM 1131 N LEU A 71 55.591 43.993 25.313 1.00 0.00 N ATOM 1132 CA LEU A 71 56.363 43.454 24.212 1.00 0.00 C ATOM 1133 C LEU A 71 56.944 42.083 24.564 1.00 0.00 C ATOM 1134 O LEU A 71 57.504 41.897 25.642 1.00 0.00 O ATOM 1135 CB LEU A 71 57.469 44.417 23.792 1.00 0.00 C ATOM 1136 CG LEU A 71 57.013 45.805 23.351 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.222 46.588 22.845 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.974 45.769 22.234 1.00 0.00 C ATOM 0 H LEU A 71 56.133 44.594 25.934 1.00 0.00 H new ATOM 0 HA LEU A 71 55.687 43.327 23.367 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.161 44.531 24.627 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.028 43.963 22.974 1.00 0.00 H new ATOM 0 HG LEU A 71 56.553 46.276 24.220 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.905 47.581 22.528 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.957 46.680 23.645 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.668 46.063 22.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.692 46.787 21.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.395 45.268 21.362 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.092 45.226 22.574 1.00 0.00 H new ATOM 1150 N ARG A 72 56.872 41.135 23.634 1.00 0.00 N ATOM 1151 CA ARG A 72 57.474 39.821 23.734 1.00 0.00 C ATOM 1152 C ARG A 72 58.560 39.693 22.664 1.00 0.00 C ATOM 1153 O ARG A 72 58.271 39.734 21.470 1.00 0.00 O ATOM 1154 CB ARG A 72 56.380 38.761 23.641 1.00 0.00 C ATOM 1155 CG ARG A 72 56.691 37.436 24.331 1.00 0.00 C ATOM 1156 CD ARG A 72 57.866 36.635 23.773 1.00 0.00 C ATOM 1157 NE ARG A 72 57.673 36.243 22.376 1.00 0.00 N ATOM 1158 CZ ARG A 72 58.166 35.155 21.770 1.00 0.00 C ATOM 1159 NH1 ARG A 72 59.041 34.342 22.376 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.774 34.873 20.519 1.00 0.00 N ATOM 0 H ARG A 72 56.371 41.273 22.756 1.00 0.00 H new ATOM 0 HA ARG A 72 57.964 39.672 24.696 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.465 39.169 24.071 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.177 38.564 22.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.885 37.638 25.384 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.800 36.810 24.285 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.777 37.228 23.857 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.011 35.741 24.380 1.00 0.00 H new ATOM 0 HE ARG A 72 57.102 36.865 21.803 1.00 0.00 H new ATOM 0 HH11 ARG A 72 59.351 34.544 23.327 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.398 33.521 21.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.110 35.483 20.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 58.140 34.048 20.044 1.00 0.00 H new ATOM 1174 N LEU A 73 59.807 39.583 23.115 1.00 0.00 N ATOM 1175 CA LEU A 73 60.995 39.457 22.294 1.00 0.00 C ATOM 1176 C LEU A 73 61.627 38.079 22.502 1.00 0.00 C ATOM 1177 O LEU A 73 61.503 37.494 23.575 1.00 0.00 O ATOM 1178 CB LEU A 73 62.001 40.558 22.619 1.00 0.00 C ATOM 1179 CG LEU A 73 61.635 42.019 22.372 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.936 42.264 21.039 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.780 42.637 23.476 1.00 0.00 C ATOM 0 H LEU A 73 60.020 39.580 24.112 1.00 0.00 H new ATOM 0 HA LEU A 73 60.706 39.562 21.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.259 40.462 23.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.906 40.349 22.049 1.00 0.00 H new ATOM 0 HG LEU A 73 62.609 42.509 22.359 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.708 43.325 20.937 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.589 41.953 20.223 1.00 0.00 H new ATOM 0 HD13 LEU A 73 60.011 41.689 21.002 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.561 43.676 23.229 1.00 0.00 H new ATOM 0 HD22 LEU A 73 59.847 42.082 23.567 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.321 42.595 24.421 1.00 0.00 H new ATOM 1193 N ARG A 74 62.345 37.579 21.501 1.00 0.00 N ATOM 1194 CA ARG A 74 63.152 36.381 21.607 1.00 0.00 C ATOM 1195 C ARG A 74 64.235 36.572 22.671 1.00 0.00 C ATOM 1196 O ARG A 74 64.897 37.606 22.708 1.00 0.00 O ATOM 1197 CB ARG A 74 63.720 36.043 20.232 1.00 0.00 C ATOM 1198 CG ARG A 74 64.256 34.623 20.069 1.00 0.00 C ATOM 1199 CD ARG A 74 63.201 33.521 20.097 1.00 0.00 C ATOM 1200 NE ARG A 74 62.232 33.626 19.006 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.841 32.677 18.145 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.370 31.446 18.110 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.888 32.969 17.250 1.00 0.00 N ATOM 0 H ARG A 74 62.379 38.009 20.577 1.00 0.00 H new ATOM 0 HA ARG A 74 62.546 35.535 21.930 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.941 36.205 19.487 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.525 36.743 20.009 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.796 34.562 19.124 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.979 34.432 20.862 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.696 32.551 20.043 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.672 33.557 21.049 1.00 0.00 H new ATOM 0 HE ARG A 74 61.798 34.541 18.885 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.111 31.191 18.762 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.031 30.764 17.431 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.473 33.901 17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.577 32.260 16.586 1.00 0.00 H new ATOM 1217 N GLY A 75 64.376 35.604 23.572 1.00 0.00 N ATOM 1218 CA GLY A 75 65.093 35.776 24.818 1.00 0.00 C ATOM 1219 C GLY A 75 64.300 36.624 25.816 1.00 0.00 C ATOM 1220 O GLY A 75 63.101 36.417 25.985 1.00 0.00 O ATOM 0 H GLY A 75 63.988 34.669 23.450 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.302 34.800 25.255 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.055 36.250 24.622 1.00 0.00 H new ATOM 1224 N GLY A 76 64.954 37.570 26.483 1.00 0.00 N ATOM 1225 CA GLY A 76 64.325 38.528 27.370 1.00 0.00 C ATOM 1226 C GLY A 76 65.313 39.246 28.291 1.00 0.00 C ATOM 1227 O GLY A 76 66.424 39.584 27.827 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.990 39.420 29.486 1.00 0.00 O ATOM 0 H GLY A 76 65.965 37.690 26.416 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.792 39.269 26.773 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.581 38.014 27.978 1.00 0.00 H new TER 1232 GLY A 76