USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ -159:sc= -1.99! (180deg=-2.69!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 55 THR OG1 : rot 112:sc= 0.526 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.474 USER MOD Set 3.1: A 7 THR OG1 : rot 128:sc= 0.148 USER MOD Set 3.2: A 9 THR OG1 : rot -150:sc= -1.37 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.396) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.18 (180deg=0.354) USER MOD Single : A 2 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.751) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0562 USER MOD Single : A 20 SER OG : rot -41:sc= 1.03 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.0596 (180deg=0.00371) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= -0.159 (180deg=-1.67!) USER MOD Single : A 31 GLN : amide:sc= -3.77! C(o=-3.8!,f=-6.7!) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0311 (180deg=-0.318) USER MOD Single : A 40 GLN : amide:sc= -0.651 K(o=-0.65,f=-3.8!) USER MOD Single : A 41 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.625 K(o=0.63,f=-3!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 60 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.39) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.002 X(o=-0.002,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.823 30.765 2.206 1.00 0.00 N ATOM 2 CA MET A 1 31.876 32.148 2.755 1.00 0.00 C ATOM 3 C MET A 1 32.711 32.154 4.030 1.00 0.00 C ATOM 4 O MET A 1 33.059 31.097 4.558 1.00 0.00 O ATOM 5 CB MET A 1 30.456 32.634 3.059 1.00 0.00 C ATOM 6 CG MET A 1 29.798 31.707 4.084 1.00 0.00 C ATOM 7 SD MET A 1 28.062 32.184 4.299 1.00 0.00 S ATOM 8 CE MET A 1 27.756 31.310 5.857 1.00 0.00 C ATOM 0 H1 MET A 1 30.918 30.621 1.714 1.00 0.00 H new ATOM 0 H2 MET A 1 32.607 30.627 1.537 1.00 0.00 H new ATOM 0 H3 MET A 1 31.907 30.079 2.983 1.00 0.00 H new ATOM 0 HA MET A 1 32.332 32.815 2.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.485 33.654 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.865 32.656 2.143 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.864 30.672 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.324 31.768 5.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.688 31.123 5.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.292 30.361 5.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.104 31.920 6.691 1.00 0.00 H new ATOM 20 N GLN A 2 33.040 33.349 4.516 1.00 0.00 N ATOM 21 CA GLN A 2 33.845 33.491 5.730 1.00 0.00 C ATOM 22 C GLN A 2 33.047 34.202 6.819 1.00 0.00 C ATOM 23 O GLN A 2 32.100 34.937 6.534 1.00 0.00 O ATOM 24 CB GLN A 2 35.105 34.303 5.413 1.00 0.00 C ATOM 25 CG GLN A 2 35.988 34.394 6.659 1.00 0.00 C ATOM 26 CD GLN A 2 37.353 34.969 6.289 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.370 34.286 6.414 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.436 36.191 5.837 1.00 0.00 N ATOM 0 H GLN A 2 32.763 34.233 4.089 1.00 0.00 H new ATOM 0 HA GLN A 2 34.122 32.499 6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.656 33.833 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.830 35.303 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.510 35.024 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.108 33.406 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.592 36.755 5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.344 36.582 5.587 1.00 0.00 H new ATOM 37 N ILE A 3 33.458 33.997 8.066 1.00 0.00 N ATOM 38 CA ILE A 3 32.804 34.642 9.203 1.00 0.00 C ATOM 39 C ILE A 3 33.777 34.767 10.360 1.00 0.00 C ATOM 40 O ILE A 3 34.881 34.229 10.320 1.00 0.00 O ATOM 41 CB ILE A 3 31.549 33.882 9.657 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.870 32.382 9.818 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.419 34.090 8.634 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.575 31.564 9.841 1.00 0.00 C ATOM 0 H ILE A 3 34.239 33.391 8.317 1.00 0.00 H new ATOM 0 HA ILE A 3 32.489 35.633 8.877 1.00 0.00 H new ATOM 0 HB ILE A 3 31.221 34.268 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.505 32.048 8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.428 32.219 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.530 33.550 8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.189 35.153 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.736 33.715 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.814 30.507 9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.955 31.888 10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.033 31.715 8.907 1.00 0.00 H new ATOM 56 N PHE A 4 33.361 35.497 11.388 1.00 0.00 N ATOM 57 CA PHE A 4 34.202 35.717 12.564 1.00 0.00 C ATOM 58 C PHE A 4 33.616 35.025 13.784 1.00 0.00 C ATOM 59 O PHE A 4 32.406 35.075 14.016 1.00 0.00 O ATOM 60 CB PHE A 4 34.298 37.218 12.844 1.00 0.00 C ATOM 61 CG PHE A 4 34.824 37.937 11.623 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.945 38.308 10.597 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.186 38.242 11.522 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.429 38.983 9.471 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.671 38.916 10.394 1.00 0.00 C ATOM 66 CZ PHE A 4 35.792 39.287 9.369 1.00 0.00 C ATOM 0 H PHE A 4 32.447 35.948 11.433 1.00 0.00 H new ATOM 0 HA PHE A 4 35.191 35.304 12.364 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.317 37.610 13.113 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.957 37.397 13.694 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.894 38.073 10.675 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.863 37.958 12.314 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.751 39.270 8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.722 39.149 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.165 39.808 8.500 1.00 0.00 H new ATOM 76 N VAL A 5 34.483 34.396 14.578 1.00 0.00 N ATOM 77 CA VAL A 5 34.056 33.710 15.794 1.00 0.00 C ATOM 78 C VAL A 5 34.709 34.368 16.995 1.00 0.00 C ATOM 79 O VAL A 5 35.921 34.592 17.020 1.00 0.00 O ATOM 80 CB VAL A 5 34.435 32.226 15.726 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.278 31.580 17.110 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.504 31.520 14.738 1.00 0.00 C ATOM 0 H VAL A 5 35.486 34.348 14.399 1.00 0.00 H new ATOM 0 HA VAL A 5 32.973 33.782 15.890 1.00 0.00 H new ATOM 0 HB VAL A 5 35.471 32.133 15.401 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.549 30.526 17.052 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.930 32.084 17.823 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.243 31.671 17.439 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.766 30.463 14.683 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.472 31.621 15.075 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.610 31.972 13.752 1.00 0.00 H new ATOM 92 N LYS A 6 33.883 34.686 17.976 1.00 0.00 N ATOM 93 CA LYS A 6 34.351 35.343 19.196 1.00 0.00 C ATOM 94 C LYS A 6 34.246 34.400 20.389 1.00 0.00 C ATOM 95 O LYS A 6 33.209 33.767 20.598 1.00 0.00 O ATOM 96 CB LYS A 6 33.488 36.582 19.452 1.00 0.00 C ATOM 97 CG LYS A 6 33.862 37.693 18.471 1.00 0.00 C ATOM 98 CD LYS A 6 33.217 39.000 18.934 1.00 0.00 C ATOM 99 CE LYS A 6 33.617 40.138 17.995 1.00 0.00 C ATOM 100 NZ LYS A 6 33.166 39.825 16.611 1.00 0.00 N ATOM 0 H LYS A 6 32.880 34.501 17.957 1.00 0.00 H new ATOM 0 HA LYS A 6 35.396 35.627 19.069 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.433 36.329 19.343 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.629 36.928 20.476 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.945 37.804 18.422 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.522 37.440 17.467 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.132 38.895 18.951 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.530 39.230 19.952 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.171 41.074 18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.698 40.276 18.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.720 40.384 15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.305 38.812 16.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 32.158 40.061 16.513 1.00 0.00 H new ATOM 114 N THR A 7 35.319 34.314 21.182 1.00 0.00 N ATOM 115 CA THR A 7 35.325 33.448 22.367 1.00 0.00 C ATOM 116 C THR A 7 35.269 34.290 23.636 1.00 0.00 C ATOM 117 O THR A 7 35.207 35.519 23.581 1.00 0.00 O ATOM 118 CB THR A 7 36.586 32.580 22.388 1.00 0.00 C ATOM 119 OG1 THR A 7 37.713 33.390 22.688 1.00 0.00 O ATOM 120 CG2 THR A 7 36.777 31.915 21.026 1.00 0.00 C ATOM 0 H THR A 7 36.187 34.828 21.028 1.00 0.00 H new ATOM 0 HA THR A 7 34.448 32.803 22.323 1.00 0.00 H new ATOM 0 HB THR A 7 36.481 31.808 23.151 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.214 32.992 23.430 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.675 31.298 21.045 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.913 31.290 20.802 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.879 32.682 20.258 1.00 0.00 H new ATOM 128 N LEU A 8 35.298 33.630 24.789 1.00 0.00 N ATOM 129 CA LEU A 8 35.248 34.344 26.056 1.00 0.00 C ATOM 130 C LEU A 8 36.550 35.102 26.311 1.00 0.00 C ATOM 131 O LEU A 8 36.553 36.131 26.990 1.00 0.00 O ATOM 132 CB LEU A 8 34.988 33.355 27.206 1.00 0.00 C ATOM 133 CG LEU A 8 34.584 34.120 28.482 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.092 34.470 28.434 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.858 33.251 29.719 1.00 0.00 C ATOM 0 H LEU A 8 35.355 32.615 24.871 1.00 0.00 H new ATOM 0 HA LEU A 8 34.434 35.067 26.007 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.198 32.658 26.925 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.883 32.763 27.396 1.00 0.00 H new ATOM 0 HG LEU A 8 35.170 35.037 28.541 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.816 35.010 29.339 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.893 35.095 27.563 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.505 33.554 28.365 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.571 33.797 30.618 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.278 32.330 29.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.920 33.009 29.766 1.00 0.00 H new ATOM 147 N THR A 9 37.655 34.598 25.771 1.00 0.00 N ATOM 148 CA THR A 9 38.947 35.253 25.963 1.00 0.00 C ATOM 149 C THR A 9 39.098 36.451 25.028 1.00 0.00 C ATOM 150 O THR A 9 40.177 37.034 24.930 1.00 0.00 O ATOM 151 CB THR A 9 40.087 34.261 25.712 1.00 0.00 C ATOM 152 OG1 THR A 9 39.970 33.727 24.403 1.00 0.00 O ATOM 153 CG2 THR A 9 40.019 33.128 26.735 1.00 0.00 C ATOM 0 H THR A 9 37.685 33.750 25.205 1.00 0.00 H new ATOM 0 HA THR A 9 38.994 35.606 26.993 1.00 0.00 H new ATOM 0 HB THR A 9 41.042 34.777 25.810 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.337 32.818 24.386 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.831 32.424 26.553 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.113 33.539 27.740 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.064 32.611 26.642 1.00 0.00 H new ATOM 161 N GLY A 10 38.013 36.823 24.352 1.00 0.00 N ATOM 162 CA GLY A 10 38.052 37.961 23.443 1.00 0.00 C ATOM 163 C GLY A 10 38.907 37.658 22.221 1.00 0.00 C ATOM 164 O GLY A 10 39.444 38.566 21.584 1.00 0.00 O ATOM 0 H GLY A 10 37.107 36.358 24.416 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.039 38.214 23.128 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.451 38.832 23.963 1.00 0.00 H new ATOM 168 N LYS A 11 39.023 36.376 21.884 1.00 0.00 N ATOM 169 CA LYS A 11 39.802 35.966 20.719 1.00 0.00 C ATOM 170 C LYS A 11 38.916 35.958 19.486 1.00 0.00 C ATOM 171 O LYS A 11 37.802 35.428 19.522 1.00 0.00 O ATOM 172 CB LYS A 11 40.375 34.559 20.934 1.00 0.00 C ATOM 173 CG LYS A 11 41.345 34.561 22.129 1.00 0.00 C ATOM 174 CD LYS A 11 42.744 34.971 21.658 1.00 0.00 C ATOM 175 CE LYS A 11 43.721 34.914 22.832 1.00 0.00 C ATOM 176 NZ LYS A 11 43.778 33.523 23.365 1.00 0.00 N ATOM 0 H LYS A 11 38.591 35.608 22.397 1.00 0.00 H new ATOM 0 HA LYS A 11 40.621 36.672 20.580 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.565 33.852 21.114 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.894 34.228 20.035 1.00 0.00 H new ATOM 0 HG2 LYS A 11 40.992 35.251 22.895 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.379 33.571 22.583 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.079 34.307 20.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.718 35.979 21.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.712 35.232 22.509 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.405 35.602 23.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.662 33.391 23.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.967 33.359 23.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.745 32.847 22.575 1.00 0.00 H new ATOM 190 N THR A 12 39.409 36.545 18.396 1.00 0.00 N ATOM 191 CA THR A 12 38.652 36.597 17.147 1.00 0.00 C ATOM 192 C THR A 12 39.415 35.862 16.060 1.00 0.00 C ATOM 193 O THR A 12 40.567 36.181 15.765 1.00 0.00 O ATOM 194 CB THR A 12 38.426 38.048 16.712 1.00 0.00 C ATOM 195 OG1 THR A 12 37.775 38.759 17.757 1.00 0.00 O ATOM 196 CG2 THR A 12 37.547 38.070 15.453 1.00 0.00 C ATOM 0 H THR A 12 40.326 36.990 18.353 1.00 0.00 H new ATOM 0 HA THR A 12 37.684 36.123 17.308 1.00 0.00 H new ATOM 0 HB THR A 12 39.385 38.518 16.496 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.631 39.688 17.480 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.384 39.102 15.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.045 37.523 14.652 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.587 37.601 15.671 1.00 0.00 H new ATOM 204 N ILE A 13 38.758 34.880 15.464 1.00 0.00 N ATOM 205 CA ILE A 13 39.367 34.093 14.394 1.00 0.00 C ATOM 206 C ILE A 13 38.387 33.924 13.249 1.00 0.00 C ATOM 207 O ILE A 13 37.183 33.773 13.460 1.00 0.00 O ATOM 208 CB ILE A 13 39.799 32.726 14.920 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.651 32.102 15.708 1.00 0.00 C ATOM 210 CG2 ILE A 13 41.016 32.892 15.829 1.00 0.00 C ATOM 211 CD1 ILE A 13 39.008 30.664 16.079 1.00 0.00 C ATOM 0 H ILE A 13 37.804 34.606 15.700 1.00 0.00 H new ATOM 0 HA ILE A 13 40.248 34.622 14.031 1.00 0.00 H new ATOM 0 HB ILE A 13 40.059 32.077 14.084 1.00 0.00 H new ATOM 0 HG12 ILE A 13 38.457 32.683 16.609 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.737 32.119 15.114 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.325 31.917 16.205 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.834 33.339 15.264 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.758 33.539 16.667 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.187 30.219 16.642 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.181 30.086 15.171 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.911 30.659 16.689 1.00 0.00 H new ATOM 223 N THR A 14 38.908 33.953 12.030 1.00 0.00 N ATOM 224 CA THR A 14 38.068 33.801 10.847 1.00 0.00 C ATOM 225 C THR A 14 38.059 32.353 10.376 1.00 0.00 C ATOM 226 O THR A 14 39.090 31.680 10.367 1.00 0.00 O ATOM 227 CB THR A 14 38.574 34.719 9.726 1.00 0.00 C ATOM 228 OG1 THR A 14 39.990 34.785 9.781 1.00 0.00 O ATOM 229 CG2 THR A 14 37.985 36.123 9.907 1.00 0.00 C ATOM 0 H THR A 14 39.901 34.079 11.833 1.00 0.00 H new ATOM 0 HA THR A 14 37.048 34.083 11.107 1.00 0.00 H new ATOM 0 HB THR A 14 38.264 34.322 8.759 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.261 35.441 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.345 36.774 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.897 36.069 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.294 36.525 10.872 1.00 0.00 H new ATOM 237 N LEU A 15 36.872 31.885 10.000 1.00 0.00 N ATOM 238 CA LEU A 15 36.682 30.510 9.536 1.00 0.00 C ATOM 239 C LEU A 15 36.031 30.513 8.150 1.00 0.00 C ATOM 240 O LEU A 15 35.203 31.372 7.844 1.00 0.00 O ATOM 241 CB LEU A 15 35.769 29.770 10.551 1.00 0.00 C ATOM 242 CG LEU A 15 36.543 28.681 11.311 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.637 29.319 12.180 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.560 27.915 12.204 1.00 0.00 C ATOM 0 H LEU A 15 36.018 32.443 10.007 1.00 0.00 H new ATOM 0 HA LEU A 15 37.644 30.003 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.355 30.487 11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.927 29.320 10.025 1.00 0.00 H new ATOM 0 HG LEU A 15 37.013 28.002 10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.179 28.538 12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.329 29.872 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.180 30.000 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.094 27.138 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.098 28.604 12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.787 27.458 11.586 1.00 0.00 H new ATOM 256 N GLU A 16 36.388 29.524 7.335 1.00 0.00 N ATOM 257 CA GLU A 16 35.811 29.386 5.995 1.00 0.00 C ATOM 258 C GLU A 16 34.865 28.193 5.988 1.00 0.00 C ATOM 259 O GLU A 16 35.265 27.081 6.325 1.00 0.00 O ATOM 260 CB GLU A 16 36.913 29.184 4.944 1.00 0.00 C ATOM 261 CG GLU A 16 37.973 28.220 5.477 1.00 0.00 C ATOM 262 CD GLU A 16 39.082 28.042 4.446 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.795 29.000 4.200 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.201 26.950 3.916 1.00 0.00 O ATOM 0 H GLU A 16 37.072 28.807 7.575 1.00 0.00 H new ATOM 0 HA GLU A 16 35.267 30.297 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.482 28.790 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.372 30.142 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.389 28.603 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.518 27.256 5.704 1.00 0.00 H new ATOM 271 N VAL A 17 33.612 28.431 5.612 1.00 0.00 N ATOM 272 CA VAL A 17 32.622 27.354 5.589 1.00 0.00 C ATOM 273 C VAL A 17 31.608 27.549 4.466 1.00 0.00 C ATOM 274 O VAL A 17 31.494 28.630 3.889 1.00 0.00 O ATOM 275 CB VAL A 17 31.907 27.262 6.955 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.883 27.622 8.079 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.721 28.228 7.007 1.00 0.00 C ATOM 0 H VAL A 17 33.260 29.344 5.323 1.00 0.00 H new ATOM 0 HA VAL A 17 33.147 26.418 5.398 1.00 0.00 H new ATOM 0 HB VAL A 17 31.548 26.241 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.372 27.555 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.724 26.929 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.248 28.638 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.230 28.149 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.076 29.248 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.011 27.976 6.219 1.00 0.00 H new ATOM 287 N GLU A 18 30.857 26.486 4.186 1.00 0.00 N ATOM 288 CA GLU A 18 29.823 26.518 3.158 1.00 0.00 C ATOM 289 C GLU A 18 28.468 26.741 3.829 1.00 0.00 C ATOM 290 O GLU A 18 28.265 26.324 4.970 1.00 0.00 O ATOM 291 CB GLU A 18 29.814 25.188 2.397 1.00 0.00 C ATOM 292 CG GLU A 18 31.072 25.085 1.532 1.00 0.00 C ATOM 293 CD GLU A 18 31.164 23.694 0.915 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.632 22.769 1.506 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.763 23.574 -0.141 1.00 0.00 O ATOM 0 H GLU A 18 30.947 25.588 4.661 1.00 0.00 H new ATOM 0 HA GLU A 18 30.022 27.326 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.774 24.355 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.924 25.121 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.047 25.840 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.957 25.284 2.136 1.00 0.00 H new ATOM 302 N PRO A 19 27.543 27.391 3.170 1.00 0.00 N ATOM 303 CA PRO A 19 26.200 27.668 3.758 1.00 0.00 C ATOM 304 C PRO A 19 25.425 26.381 4.016 1.00 0.00 C ATOM 305 O PRO A 19 24.399 26.388 4.697 1.00 0.00 O ATOM 306 CB PRO A 19 25.510 28.544 2.698 1.00 0.00 C ATOM 307 CG PRO A 19 26.205 28.211 1.419 1.00 0.00 C ATOM 308 CD PRO A 19 27.655 27.921 1.800 1.00 0.00 C ATOM 0 HA PRO A 19 26.260 28.158 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.444 28.326 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.606 29.603 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.746 27.347 0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.144 29.039 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.112 27.198 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.268 28.821 1.765 1.00 0.00 H new ATOM 316 N SER A 20 25.915 25.275 3.456 1.00 0.00 N ATOM 317 CA SER A 20 25.260 23.978 3.612 1.00 0.00 C ATOM 318 C SER A 20 26.013 23.093 4.601 1.00 0.00 C ATOM 319 O SER A 20 25.676 21.920 4.771 1.00 0.00 O ATOM 320 CB SER A 20 25.206 23.274 2.254 1.00 0.00 C ATOM 321 OG SER A 20 24.621 21.991 2.412 1.00 0.00 O ATOM 0 H SER A 20 26.763 25.252 2.890 1.00 0.00 H new ATOM 0 HA SER A 20 24.254 24.147 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.625 23.867 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.210 23.180 1.841 1.00 0.00 H new ATOM 0 HG SER A 20 24.963 21.574 3.230 1.00 0.00 H new ATOM 327 N ASP A 21 27.027 23.646 5.262 1.00 0.00 N ATOM 328 CA ASP A 21 27.797 22.881 6.228 1.00 0.00 C ATOM 329 C ASP A 21 26.933 22.528 7.430 1.00 0.00 C ATOM 330 O ASP A 21 26.054 23.298 7.821 1.00 0.00 O ATOM 331 CB ASP A 21 29.018 23.706 6.670 1.00 0.00 C ATOM 332 CG ASP A 21 30.144 23.603 5.639 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.076 22.725 4.793 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.061 24.403 5.716 1.00 0.00 O ATOM 0 H ASP A 21 27.330 24.613 5.145 1.00 0.00 H new ATOM 0 HA ASP A 21 28.137 21.953 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.731 24.750 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.371 23.351 7.638 1.00 0.00 H new ATOM 339 N THR A 22 27.192 21.363 8.023 1.00 0.00 N ATOM 340 CA THR A 22 26.433 20.926 9.190 1.00 0.00 C ATOM 341 C THR A 22 27.105 21.424 10.461 1.00 0.00 C ATOM 342 O THR A 22 28.321 21.606 10.494 1.00 0.00 O ATOM 343 CB THR A 22 26.346 19.398 9.226 1.00 0.00 C ATOM 344 OG1 THR A 22 27.653 18.854 9.358 1.00 0.00 O ATOM 345 CG2 THR A 22 25.705 18.887 7.934 1.00 0.00 C ATOM 0 H THR A 22 27.915 20.712 7.717 1.00 0.00 H new ATOM 0 HA THR A 22 25.426 21.339 9.124 1.00 0.00 H new ATOM 0 HB THR A 22 25.736 19.090 10.075 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.599 17.876 9.383 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.645 17.799 7.963 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.702 19.303 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.311 19.194 7.081 1.00 0.00 H new ATOM 353 N ILE A 23 26.316 21.636 11.501 1.00 0.00 N ATOM 354 CA ILE A 23 26.869 22.106 12.762 1.00 0.00 C ATOM 355 C ILE A 23 27.999 21.188 13.204 1.00 0.00 C ATOM 356 O ILE A 23 28.865 21.578 13.984 1.00 0.00 O ATOM 357 CB ILE A 23 25.780 22.144 13.838 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.514 22.804 13.277 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.277 22.939 15.043 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.866 24.129 12.591 1.00 0.00 C ATOM 0 H ILE A 23 25.306 21.493 11.500 1.00 0.00 H new ATOM 0 HA ILE A 23 27.259 23.114 12.621 1.00 0.00 H new ATOM 0 HB ILE A 23 25.547 21.124 14.145 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.031 22.135 12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.801 22.981 14.082 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.500 22.965 15.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.170 22.464 15.449 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.516 23.957 14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.959 24.587 12.197 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.328 24.802 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.562 23.942 11.773 1.00 0.00 H new ATOM 372 N GLU A 24 28.000 19.971 12.674 1.00 0.00 N ATOM 373 CA GLU A 24 29.038 19.006 13.002 1.00 0.00 C ATOM 374 C GLU A 24 30.327 19.345 12.251 1.00 0.00 C ATOM 375 O GLU A 24 31.382 19.522 12.856 1.00 0.00 O ATOM 376 CB GLU A 24 28.569 17.596 12.635 1.00 0.00 C ATOM 377 CG GLU A 24 29.572 16.568 13.161 1.00 0.00 C ATOM 378 CD GLU A 24 29.074 15.156 12.873 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.871 14.957 12.892 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.905 14.294 12.635 1.00 0.00 O ATOM 0 H GLU A 24 27.296 19.631 12.018 1.00 0.00 H new ATOM 0 HA GLU A 24 29.237 19.047 14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.583 17.408 13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.472 17.504 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.543 16.722 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.712 16.701 14.234 1.00 0.00 H new ATOM 387 N ASN A 25 30.225 19.437 10.931 1.00 0.00 N ATOM 388 CA ASN A 25 31.380 19.758 10.102 1.00 0.00 C ATOM 389 C ASN A 25 32.021 21.066 10.560 1.00 0.00 C ATOM 390 O ASN A 25 33.243 21.175 10.647 1.00 0.00 O ATOM 391 CB ASN A 25 30.939 19.889 8.644 1.00 0.00 C ATOM 392 CG ASN A 25 32.145 20.120 7.743 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.234 20.429 8.227 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.014 19.991 6.452 1.00 0.00 N ATOM 0 H ASN A 25 29.358 19.295 10.413 1.00 0.00 H new ATOM 0 HA ASN A 25 32.113 18.957 10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.413 18.986 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.237 20.717 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.815 20.146 5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.110 19.735 6.054 1.00 0.00 H new ATOM 401 N VAL A 26 31.190 22.062 10.853 1.00 0.00 N ATOM 402 CA VAL A 26 31.702 23.354 11.292 1.00 0.00 C ATOM 403 C VAL A 26 32.422 23.219 12.632 1.00 0.00 C ATOM 404 O VAL A 26 33.484 23.808 12.838 1.00 0.00 O ATOM 405 CB VAL A 26 30.562 24.373 11.403 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.135 25.729 11.809 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.862 24.508 10.045 1.00 0.00 C ATOM 0 H VAL A 26 30.173 22.001 10.795 1.00 0.00 H new ATOM 0 HA VAL A 26 32.416 23.709 10.549 1.00 0.00 H new ATOM 0 HB VAL A 26 29.845 24.036 12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.327 26.456 11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.638 25.638 12.772 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.850 26.062 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.051 25.232 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.580 24.846 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.457 23.541 9.747 1.00 0.00 H new ATOM 417 N LYS A 27 31.852 22.431 13.534 1.00 0.00 N ATOM 418 CA LYS A 27 32.469 22.224 14.837 1.00 0.00 C ATOM 419 C LYS A 27 33.816 21.556 14.642 1.00 0.00 C ATOM 420 O LYS A 27 34.782 21.847 15.345 1.00 0.00 O ATOM 421 CB LYS A 27 31.564 21.356 15.724 1.00 0.00 C ATOM 422 CG LYS A 27 30.469 22.223 16.353 1.00 0.00 C ATOM 423 CD LYS A 27 29.405 21.327 16.995 1.00 0.00 C ATOM 424 CE LYS A 27 28.513 22.168 17.914 1.00 0.00 C ATOM 425 NZ LYS A 27 27.265 21.413 18.222 1.00 0.00 N ATOM 0 H LYS A 27 30.975 21.931 13.391 1.00 0.00 H new ATOM 0 HA LYS A 27 32.607 23.185 15.333 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.114 20.559 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.155 20.878 16.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.902 22.885 17.103 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.013 22.858 15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.802 20.850 16.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.882 20.529 17.564 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.044 22.406 18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.268 23.115 17.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.589 22.041 18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.845 21.062 17.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.490 20.609 18.842 1.00 0.00 H new ATOM 439 N ALA A 28 33.863 20.653 13.676 1.00 0.00 N ATOM 440 CA ALA A 28 35.082 19.934 13.366 1.00 0.00 C ATOM 441 C ALA A 28 36.188 20.915 12.983 1.00 0.00 C ATOM 442 O ALA A 28 37.347 20.731 13.350 1.00 0.00 O ATOM 443 CB ALA A 28 34.805 18.969 12.212 1.00 0.00 C ATOM 0 H ALA A 28 33.065 20.402 13.092 1.00 0.00 H new ATOM 0 HA ALA A 28 35.412 19.373 14.240 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.716 18.421 11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.026 18.265 12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.476 19.532 11.338 1.00 0.00 H new ATOM 449 N LYS A 29 35.810 21.966 12.259 1.00 0.00 N ATOM 450 CA LYS A 29 36.774 22.984 11.850 1.00 0.00 C ATOM 451 C LYS A 29 37.293 23.722 13.083 1.00 0.00 C ATOM 452 O LYS A 29 38.486 24.015 13.200 1.00 0.00 O ATOM 453 CB LYS A 29 36.125 23.999 10.897 1.00 0.00 C ATOM 454 CG LYS A 29 35.669 23.304 9.611 1.00 0.00 C ATOM 455 CD LYS A 29 35.271 24.360 8.571 1.00 0.00 C ATOM 456 CE LYS A 29 35.036 23.682 7.220 1.00 0.00 C ATOM 457 NZ LYS A 29 34.698 24.714 6.201 1.00 0.00 N ATOM 0 H LYS A 29 34.854 22.134 11.946 1.00 0.00 H new ATOM 0 HA LYS A 29 37.596 22.489 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.273 24.472 11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.836 24.790 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.471 22.677 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.824 22.648 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.368 24.879 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.056 25.111 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.927 23.133 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.227 22.956 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.697 24.622 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.865 25.661 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.296 24.581 5.360 1.00 0.00 H new ATOM 471 N ILE A 30 36.381 23.997 14.009 1.00 0.00 N ATOM 472 CA ILE A 30 36.733 24.684 15.234 1.00 0.00 C ATOM 473 C ILE A 30 37.641 23.809 16.093 1.00 0.00 C ATOM 474 O ILE A 30 38.658 24.271 16.599 1.00 0.00 O ATOM 475 CB ILE A 30 35.454 25.047 15.994 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.715 26.155 15.232 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.807 25.545 17.395 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.326 26.375 15.841 1.00 0.00 C ATOM 0 H ILE A 30 35.394 23.752 13.929 1.00 0.00 H new ATOM 0 HA ILE A 30 37.277 25.597 14.994 1.00 0.00 H new ATOM 0 HB ILE A 30 34.818 24.165 16.077 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.289 27.081 15.272 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.621 25.884 14.180 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.893 25.802 17.931 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.337 24.762 17.937 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.443 26.427 17.318 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.809 27.163 15.293 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.750 25.452 15.777 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.429 26.667 16.886 1.00 0.00 H new ATOM 490 N GLN A 31 37.261 22.548 16.257 1.00 0.00 N ATOM 491 CA GLN A 31 38.053 21.628 17.062 1.00 0.00 C ATOM 492 C GLN A 31 39.454 21.476 16.482 1.00 0.00 C ATOM 493 O GLN A 31 40.448 21.523 17.204 1.00 0.00 O ATOM 494 CB GLN A 31 37.380 20.253 17.115 1.00 0.00 C ATOM 495 CG GLN A 31 38.198 19.315 18.014 1.00 0.00 C ATOM 496 CD GLN A 31 39.356 18.710 17.227 1.00 0.00 C ATOM 497 OE1 GLN A 31 40.510 19.090 17.427 1.00 0.00 O ATOM 498 NE2 GLN A 31 39.115 17.790 16.334 1.00 0.00 N ATOM 0 H GLN A 31 36.419 22.143 15.848 1.00 0.00 H new ATOM 0 HA GLN A 31 38.124 22.038 18.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.365 20.348 17.500 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.303 19.836 16.111 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.581 19.865 18.874 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.559 18.522 18.402 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.158 17.477 16.170 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.883 17.384 15.800 1.00 0.00 H new ATOM 507 N ASP A 32 39.521 21.273 15.177 1.00 0.00 N ATOM 508 CA ASP A 32 40.802 21.094 14.504 1.00 0.00 C ATOM 509 C ASP A 32 41.745 22.270 14.771 1.00 0.00 C ATOM 510 O ASP A 32 42.954 22.081 14.895 1.00 0.00 O ATOM 511 CB ASP A 32 40.581 20.952 12.997 1.00 0.00 C ATOM 512 CG ASP A 32 41.870 20.496 12.320 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.901 20.529 12.971 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.807 20.118 11.161 1.00 0.00 O ATOM 0 H ASP A 32 38.708 21.228 14.562 1.00 0.00 H new ATOM 0 HA ASP A 32 41.263 20.189 14.900 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.785 20.232 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.258 21.905 12.577 1.00 0.00 H new ATOM 519 N LYS A 33 41.200 23.489 14.828 1.00 0.00 N ATOM 520 CA LYS A 33 42.035 24.676 15.047 1.00 0.00 C ATOM 521 C LYS A 33 42.224 25.011 16.534 1.00 0.00 C ATOM 522 O LYS A 33 43.291 25.483 16.929 1.00 0.00 O ATOM 523 CB LYS A 33 41.419 25.880 14.332 1.00 0.00 C ATOM 524 CG LYS A 33 41.350 25.602 12.828 1.00 0.00 C ATOM 525 CD LYS A 33 40.877 26.860 12.096 1.00 0.00 C ATOM 526 CE LYS A 33 40.925 26.624 10.583 1.00 0.00 C ATOM 527 NZ LYS A 33 39.959 25.551 10.216 1.00 0.00 N ATOM 0 H LYS A 33 40.203 23.680 14.728 1.00 0.00 H new ATOM 0 HA LYS A 33 43.020 24.448 14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.420 26.076 14.722 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.016 26.772 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.330 25.300 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.667 24.776 12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.862 27.111 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.509 27.707 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.681 27.545 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.933 26.340 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.802 25.562 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.344 24.627 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.056 25.714 10.706 1.00 0.00 H new ATOM 541 N GLU A 34 41.189 24.809 17.354 1.00 0.00 N ATOM 542 CA GLU A 34 41.277 25.142 18.787 1.00 0.00 C ATOM 543 C GLU A 34 41.534 23.910 19.657 1.00 0.00 C ATOM 544 O GLU A 34 41.863 24.037 20.837 1.00 0.00 O ATOM 545 CB GLU A 34 39.985 25.825 19.244 1.00 0.00 C ATOM 546 CG GLU A 34 39.656 26.983 18.300 1.00 0.00 C ATOM 547 CD GLU A 34 38.471 27.777 18.841 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.264 27.752 20.044 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.789 28.401 18.046 1.00 0.00 O ATOM 0 H GLU A 34 40.292 24.423 17.061 1.00 0.00 H new ATOM 0 HA GLU A 34 42.125 25.816 18.908 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.166 25.106 19.254 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.098 26.194 20.263 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.523 27.635 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.424 26.599 17.307 1.00 0.00 H new ATOM 556 N GLY A 35 41.419 22.721 19.075 1.00 0.00 N ATOM 557 CA GLY A 35 41.680 21.488 19.817 1.00 0.00 C ATOM 558 C GLY A 35 40.649 21.233 20.919 1.00 0.00 C ATOM 559 O GLY A 35 40.858 20.376 21.779 1.00 0.00 O ATOM 0 H GLY A 35 41.150 22.583 18.101 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.682 20.646 19.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.675 21.539 20.260 1.00 0.00 H new ATOM 563 N ILE A 36 39.537 21.968 20.896 1.00 0.00 N ATOM 564 CA ILE A 36 38.492 21.795 21.902 1.00 0.00 C ATOM 565 C ILE A 36 37.389 20.861 21.377 1.00 0.00 C ATOM 566 O ILE A 36 36.942 21.021 20.239 1.00 0.00 O ATOM 567 CB ILE A 36 37.885 23.160 22.229 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.007 24.183 22.426 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.061 23.060 23.508 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.009 23.670 23.467 1.00 0.00 C ATOM 0 H ILE A 36 39.338 22.684 20.197 1.00 0.00 H new ATOM 0 HA ILE A 36 38.929 21.352 22.797 1.00 0.00 H new ATOM 0 HB ILE A 36 37.242 23.476 21.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.515 24.364 21.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.589 25.136 22.751 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.629 24.034 23.740 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.262 22.332 23.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.702 22.743 24.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.803 24.404 23.600 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.498 23.512 24.417 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.439 22.729 23.125 1.00 0.00 H new ATOM 582 N PRO A 37 36.937 19.890 22.153 1.00 0.00 N ATOM 583 CA PRO A 37 35.869 18.945 21.694 1.00 0.00 C ATOM 584 C PRO A 37 34.490 19.622 21.633 1.00 0.00 C ATOM 585 O PRO A 37 34.216 20.549 22.395 1.00 0.00 O ATOM 586 CB PRO A 37 35.897 17.832 22.752 1.00 0.00 C ATOM 587 CG PRO A 37 36.388 18.503 23.993 1.00 0.00 C ATOM 588 CD PRO A 37 37.375 19.576 23.530 1.00 0.00 C ATOM 0 HA PRO A 37 36.045 18.578 20.683 1.00 0.00 H new ATOM 0 HB2 PRO A 37 34.907 17.401 22.900 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.558 17.018 22.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 35.562 18.946 24.550 1.00 0.00 H new ATOM 0 HG3 PRO A 37 36.873 17.788 24.658 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.338 20.456 24.172 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.402 19.210 23.549 1.00 0.00 H new ATOM 596 N PRO A 38 33.625 19.180 20.752 1.00 0.00 N ATOM 597 CA PRO A 38 32.255 19.763 20.605 1.00 0.00 C ATOM 598 C PRO A 38 31.364 19.457 21.807 1.00 0.00 C ATOM 599 O PRO A 38 30.305 20.062 21.975 1.00 0.00 O ATOM 600 CB PRO A 38 31.718 19.096 19.333 1.00 0.00 C ATOM 601 CG PRO A 38 32.437 17.795 19.272 1.00 0.00 C ATOM 602 CD PRO A 38 33.840 18.077 19.797 1.00 0.00 C ATOM 0 HA PRO A 38 32.274 20.851 20.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 30.639 18.953 19.384 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.918 19.703 18.450 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.936 17.041 19.879 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.470 17.413 18.252 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.272 17.202 20.283 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.520 18.365 18.995 1.00 0.00 H new ATOM 610 N ASP A 39 31.795 18.516 22.637 1.00 0.00 N ATOM 611 CA ASP A 39 31.020 18.141 23.811 1.00 0.00 C ATOM 612 C ASP A 39 31.170 19.176 24.917 1.00 0.00 C ATOM 613 O ASP A 39 30.360 19.222 25.844 1.00 0.00 O ATOM 614 CB ASP A 39 31.481 16.775 24.325 1.00 0.00 C ATOM 615 CG ASP A 39 31.200 15.701 23.279 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.062 15.471 22.448 1.00 0.00 O ATOM 617 OD2 ASP A 39 30.127 15.122 23.326 1.00 0.00 O ATOM 0 H ASP A 39 32.669 18.003 22.521 1.00 0.00 H new ATOM 0 HA ASP A 39 29.970 18.090 23.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 32.547 16.803 24.551 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.964 16.534 25.254 1.00 0.00 H new ATOM 622 N GLN A 40 32.214 20.003 24.830 1.00 0.00 N ATOM 623 CA GLN A 40 32.466 21.030 25.843 1.00 0.00 C ATOM 624 C GLN A 40 32.118 22.416 25.315 1.00 0.00 C ATOM 625 O GLN A 40 32.155 23.393 26.064 1.00 0.00 O ATOM 626 CB GLN A 40 33.945 21.006 26.239 1.00 0.00 C ATOM 627 CG GLN A 40 34.256 19.713 26.998 1.00 0.00 C ATOM 628 CD GLN A 40 35.760 19.589 27.222 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.548 20.162 26.470 1.00 0.00 O ATOM 630 NE2 GLN A 40 36.206 18.870 28.215 1.00 0.00 N ATOM 0 H GLN A 40 32.896 19.982 24.072 1.00 0.00 H new ATOM 0 HA GLN A 40 31.839 20.816 26.708 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.571 21.076 25.349 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.179 21.870 26.862 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.736 19.710 27.956 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.892 18.854 26.434 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.550 18.396 28.837 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.210 18.782 28.370 1.00 0.00 H new ATOM 639 N GLN A 41 31.810 22.505 24.020 1.00 0.00 N ATOM 640 CA GLN A 41 31.488 23.791 23.397 1.00 0.00 C ATOM 641 C GLN A 41 30.044 23.845 22.917 1.00 0.00 C ATOM 642 O GLN A 41 29.490 22.854 22.437 1.00 0.00 O ATOM 643 CB GLN A 41 32.412 24.030 22.203 1.00 0.00 C ATOM 644 CG GLN A 41 33.842 24.255 22.694 1.00 0.00 C ATOM 645 CD GLN A 41 34.785 24.348 21.500 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.714 23.524 20.589 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.667 25.308 21.449 1.00 0.00 N ATOM 0 H GLN A 41 31.777 21.707 23.385 1.00 0.00 H new ATOM 0 HA GLN A 41 31.628 24.564 24.153 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.379 23.174 21.529 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.072 24.896 21.635 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.895 25.170 23.284 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.146 23.437 23.347 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.723 25.990 22.206 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.300 25.377 20.652 1.00 0.00 H new ATOM 656 N ARG A 42 29.456 25.032 23.030 1.00 0.00 N ATOM 657 CA ARG A 42 28.084 25.277 22.594 1.00 0.00 C ATOM 658 C ARG A 42 28.077 26.511 21.694 1.00 0.00 C ATOM 659 O ARG A 42 28.717 27.516 22.012 1.00 0.00 O ATOM 660 CB ARG A 42 27.175 25.516 23.806 1.00 0.00 C ATOM 661 CG ARG A 42 26.884 24.182 24.521 1.00 0.00 C ATOM 662 CD ARG A 42 26.053 23.254 23.616 1.00 0.00 C ATOM 663 NE ARG A 42 26.930 22.334 22.895 1.00 0.00 N ATOM 664 CZ ARG A 42 26.444 21.495 21.983 1.00 0.00 C ATOM 665 NH1 ARG A 42 27.244 20.677 21.354 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.167 21.490 21.715 1.00 0.00 N ATOM 0 H ARG A 42 29.916 25.851 23.426 1.00 0.00 H new ATOM 0 HA ARG A 42 27.711 24.409 22.050 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.652 26.211 24.497 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.241 25.977 23.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.821 23.694 24.789 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.346 24.371 25.450 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.339 22.691 24.218 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.475 23.847 22.908 1.00 0.00 H new ATOM 0 HE ARG A 42 27.930 22.335 23.094 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.243 20.680 21.561 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.870 20.035 20.655 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.541 22.129 22.204 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.795 20.847 21.016 1.00 0.00 H new ATOM 680 N LEU A 43 27.374 26.442 20.560 1.00 0.00 N ATOM 681 CA LEU A 43 27.323 27.572 19.623 1.00 0.00 C ATOM 682 C LEU A 43 25.965 28.260 19.688 1.00 0.00 C ATOM 683 O LEU A 43 24.929 27.640 19.432 1.00 0.00 O ATOM 684 CB LEU A 43 27.577 27.065 18.197 1.00 0.00 C ATOM 685 CG LEU A 43 28.829 26.181 18.167 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.075 25.697 16.734 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.046 26.983 18.648 1.00 0.00 C ATOM 0 H LEU A 43 26.837 25.625 20.269 1.00 0.00 H new ATOM 0 HA LEU A 43 28.092 28.293 19.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.714 26.499 17.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.702 27.910 17.519 1.00 0.00 H new ATOM 0 HG LEU A 43 28.680 25.325 18.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.965 25.068 16.710 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.215 25.122 16.392 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.220 26.556 16.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.932 26.349 18.624 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.197 27.842 17.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.874 27.328 19.667 1.00 0.00 H new ATOM 699 N ILE A 44 25.969 29.557 20.022 1.00 0.00 N ATOM 700 CA ILE A 44 24.728 30.334 20.120 1.00 0.00 C ATOM 701 C ILE A 44 24.668 31.428 19.057 1.00 0.00 C ATOM 702 O ILE A 44 25.625 32.190 18.847 1.00 0.00 O ATOM 703 CB ILE A 44 24.628 30.971 21.508 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.877 29.892 22.573 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.232 31.577 21.701 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.889 28.730 22.395 1.00 0.00 C ATOM 0 H ILE A 44 26.815 30.088 20.228 1.00 0.00 H new ATOM 0 HA ILE A 44 23.892 29.653 19.958 1.00 0.00 H new ATOM 0 HB ILE A 44 25.373 31.761 21.604 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.900 29.524 22.495 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.768 30.322 23.569 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.165 32.029 22.690 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.058 32.339 20.941 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.479 30.794 21.609 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.077 27.973 23.156 1.00 0.00 H new ATOM 0 HD12 ILE A 44 22.869 29.101 22.496 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.019 28.290 21.406 1.00 0.00 H new ATOM 718 N PHE A 45 23.515 31.511 18.385 1.00 0.00 N ATOM 719 CA PHE A 45 23.278 32.504 17.339 1.00 0.00 C ATOM 720 C PHE A 45 21.820 32.954 17.417 1.00 0.00 C ATOM 721 O PHE A 45 20.924 32.129 17.591 1.00 0.00 O ATOM 722 CB PHE A 45 23.534 31.889 15.958 1.00 0.00 C ATOM 723 CG PHE A 45 23.338 32.933 14.878 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.410 33.744 14.485 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.086 33.085 14.264 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.232 34.704 13.479 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.909 34.046 13.260 1.00 0.00 C ATOM 728 CZ PHE A 45 22.982 34.856 12.869 1.00 0.00 C ATOM 0 H PHE A 45 22.722 30.891 18.553 1.00 0.00 H new ATOM 0 HA PHE A 45 23.951 33.350 17.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.548 31.492 15.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.856 31.052 15.793 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.375 33.630 14.957 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.258 32.461 14.565 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.060 35.327 13.175 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.945 34.162 12.788 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.845 35.598 12.097 1.00 0.00 H new ATOM 738 N ALA A 46 21.572 34.254 17.297 1.00 0.00 N ATOM 739 CA ALA A 46 20.202 34.746 17.378 1.00 0.00 C ATOM 740 C ALA A 46 19.541 34.185 18.635 1.00 0.00 C ATOM 741 O ALA A 46 18.359 33.835 18.637 1.00 0.00 O ATOM 742 CB ALA A 46 19.417 34.321 16.133 1.00 0.00 C ATOM 0 H ALA A 46 22.282 34.970 17.147 1.00 0.00 H new ATOM 0 HA ALA A 46 20.208 35.835 17.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.395 34.693 16.203 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.894 34.734 15.244 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.403 33.233 16.065 1.00 0.00 H new ATOM 748 N GLY A 47 20.336 34.116 19.698 1.00 0.00 N ATOM 749 CA GLY A 47 19.878 33.622 20.993 1.00 0.00 C ATOM 750 C GLY A 47 19.464 32.146 20.968 1.00 0.00 C ATOM 751 O GLY A 47 18.892 31.659 21.942 1.00 0.00 O ATOM 0 H GLY A 47 21.315 34.401 19.687 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.672 33.757 21.727 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.032 34.224 21.325 1.00 0.00 H new ATOM 755 N LYS A 48 19.745 31.432 19.871 1.00 0.00 N ATOM 756 CA LYS A 48 19.373 30.003 19.777 1.00 0.00 C ATOM 757 C LYS A 48 20.593 29.107 19.589 1.00 0.00 C ATOM 758 O LYS A 48 21.529 29.450 18.866 1.00 0.00 O ATOM 759 CB LYS A 48 18.421 29.772 18.605 1.00 0.00 C ATOM 760 CG LYS A 48 17.070 30.428 18.886 1.00 0.00 C ATOM 761 CD LYS A 48 16.064 29.960 17.833 1.00 0.00 C ATOM 762 CE LYS A 48 16.526 30.405 16.441 1.00 0.00 C ATOM 763 NZ LYS A 48 15.358 30.422 15.515 1.00 0.00 N ATOM 0 H LYS A 48 20.219 31.805 19.048 1.00 0.00 H new ATOM 0 HA LYS A 48 18.886 29.745 20.717 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.850 30.184 17.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.287 28.703 18.441 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.722 30.162 19.884 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.165 31.514 18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.968 28.875 17.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.079 30.373 18.049 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.976 31.396 16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.292 29.727 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.669 30.724 14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.947 29.468 15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.642 31.086 15.872 1.00 0.00 H new ATOM 777 N GLN A 49 20.552 27.944 20.236 1.00 0.00 N ATOM 778 CA GLN A 49 21.629 26.971 20.138 1.00 0.00 C ATOM 779 C GLN A 49 21.449 26.120 18.884 1.00 0.00 C ATOM 780 O GLN A 49 20.343 25.673 18.585 1.00 0.00 O ATOM 781 CB GLN A 49 21.621 26.073 21.378 1.00 0.00 C ATOM 782 CG GLN A 49 22.877 25.200 21.394 1.00 0.00 C ATOM 783 CD GLN A 49 22.752 24.125 22.468 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.817 22.933 22.166 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.575 24.477 23.712 1.00 0.00 N ATOM 0 H GLN A 49 19.779 27.655 20.836 1.00 0.00 H new ATOM 0 HA GLN A 49 22.582 27.496 20.077 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.580 26.683 22.280 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.730 25.445 21.377 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.019 24.736 20.418 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.756 25.816 21.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.521 25.465 23.960 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.490 23.764 24.437 1.00 0.00 H new ATOM 794 N LEU A 50 22.534 25.909 18.148 1.00 0.00 N ATOM 795 CA LEU A 50 22.465 25.116 16.922 1.00 0.00 C ATOM 796 C LEU A 50 22.432 23.620 17.238 1.00 0.00 C ATOM 797 O LEU A 50 23.218 23.125 18.048 1.00 0.00 O ATOM 798 CB LEU A 50 23.662 25.436 16.025 1.00 0.00 C ATOM 799 CG LEU A 50 23.911 26.948 16.030 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.058 27.282 15.072 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.643 27.682 15.579 1.00 0.00 C ATOM 0 H LEU A 50 23.461 26.270 18.373 1.00 0.00 H new ATOM 0 HA LEU A 50 21.544 25.374 16.399 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.548 24.909 16.380 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.472 25.091 15.009 1.00 0.00 H new ATOM 0 HG LEU A 50 24.174 27.265 17.039 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.234 28.358 15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.962 26.765 15.393 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.795 26.962 14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.824 28.757 15.584 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.377 27.363 14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.825 27.449 16.261 1.00 0.00 H new ATOM 813 N GLU A 51 21.500 22.911 16.597 1.00 0.00 N ATOM 814 CA GLU A 51 21.341 21.471 16.814 1.00 0.00 C ATOM 815 C GLU A 51 22.182 20.658 15.835 1.00 0.00 C ATOM 816 O GLU A 51 22.295 20.987 14.650 1.00 0.00 O ATOM 817 CB GLU A 51 19.862 21.082 16.655 1.00 0.00 C ATOM 818 CG GLU A 51 19.114 21.352 17.962 1.00 0.00 C ATOM 819 CD GLU A 51 17.643 20.970 17.813 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.870 21.819 17.401 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.313 19.835 18.112 1.00 0.00 O ATOM 0 H GLU A 51 20.845 23.310 15.924 1.00 0.00 H new ATOM 0 HA GLU A 51 21.683 21.248 17.825 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.411 21.652 15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.780 20.028 16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.566 20.781 18.773 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.199 22.406 18.228 1.00 0.00 H new ATOM 828 N ASP A 52 22.751 19.576 16.347 1.00 0.00 N ATOM 829 CA ASP A 52 23.567 18.696 15.536 1.00 0.00 C ATOM 830 C ASP A 52 22.729 18.053 14.433 1.00 0.00 C ATOM 831 O ASP A 52 21.632 17.552 14.686 1.00 0.00 O ATOM 832 CB ASP A 52 24.182 17.606 16.413 1.00 0.00 C ATOM 833 CG ASP A 52 25.000 18.239 17.534 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.898 19.005 17.225 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.714 17.953 18.685 1.00 0.00 O ATOM 0 H ASP A 52 22.660 19.290 17.322 1.00 0.00 H new ATOM 0 HA ASP A 52 24.360 19.285 15.076 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.396 16.980 16.834 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.817 16.957 15.810 1.00 0.00 H new ATOM 840 N GLY A 53 23.255 18.060 13.210 1.00 0.00 N ATOM 841 CA GLY A 53 22.554 17.463 12.070 1.00 0.00 C ATOM 842 C GLY A 53 21.876 18.523 11.202 1.00 0.00 C ATOM 843 O GLY A 53 21.413 18.222 10.102 1.00 0.00 O ATOM 0 H GLY A 53 24.160 18.470 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.261 16.896 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.806 16.757 12.432 1.00 0.00 H new ATOM 847 N ARG A 54 21.824 19.769 11.683 1.00 0.00 N ATOM 848 CA ARG A 54 21.205 20.848 10.907 1.00 0.00 C ATOM 849 C ARG A 54 22.253 21.573 10.062 1.00 0.00 C ATOM 850 O ARG A 54 23.442 21.562 10.382 1.00 0.00 O ATOM 851 CB ARG A 54 20.527 21.853 11.841 1.00 0.00 C ATOM 852 CG ARG A 54 19.401 21.160 12.610 1.00 0.00 C ATOM 853 CD ARG A 54 18.520 22.213 13.283 1.00 0.00 C ATOM 854 NE ARG A 54 17.549 21.574 14.164 1.00 0.00 N ATOM 855 CZ ARG A 54 16.493 20.936 13.670 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.615 20.405 14.477 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.340 20.833 12.379 1.00 0.00 N ATOM 0 H ARG A 54 22.196 20.053 12.590 1.00 0.00 H new ATOM 0 HA ARG A 54 20.459 20.405 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.256 22.266 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.128 22.688 11.265 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.804 20.551 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.818 20.487 13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.140 22.904 13.854 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.002 22.801 12.526 1.00 0.00 H new ATOM 0 HE ARG A 54 17.682 21.617 15.174 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.739 20.480 15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.804 19.915 14.098 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.030 21.242 11.749 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.530 20.344 11.999 1.00 0.00 H new ATOM 871 N THR A 55 21.803 22.211 8.980 1.00 0.00 N ATOM 872 CA THR A 55 22.701 22.954 8.089 1.00 0.00 C ATOM 873 C THR A 55 22.598 24.446 8.383 1.00 0.00 C ATOM 874 O THR A 55 21.597 24.899 8.929 1.00 0.00 O ATOM 875 CB THR A 55 22.314 22.697 6.628 1.00 0.00 C ATOM 876 OG1 THR A 55 20.908 22.842 6.481 1.00 0.00 O ATOM 877 CG2 THR A 55 22.729 21.278 6.225 1.00 0.00 C ATOM 0 H THR A 55 20.823 22.229 8.698 1.00 0.00 H new ATOM 0 HA THR A 55 23.725 22.619 8.257 1.00 0.00 H new ATOM 0 HB THR A 55 22.824 23.415 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.716 23.631 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.452 21.099 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.808 21.169 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.223 20.555 6.865 1.00 0.00 H new ATOM 885 N LEU A 56 23.620 25.214 8.018 1.00 0.00 N ATOM 886 CA LEU A 56 23.580 26.651 8.266 1.00 0.00 C ATOM 887 C LEU A 56 22.348 27.261 7.591 1.00 0.00 C ATOM 888 O LEU A 56 21.700 28.135 8.164 1.00 0.00 O ATOM 889 CB LEU A 56 24.877 27.338 7.765 1.00 0.00 C ATOM 890 CG LEU A 56 25.931 27.401 8.889 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.426 25.988 9.218 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.112 28.269 8.432 1.00 0.00 C ATOM 0 H LEU A 56 24.467 24.876 7.560 1.00 0.00 H new ATOM 0 HA LEU A 56 23.512 26.817 9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.279 26.789 6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.649 28.345 7.417 1.00 0.00 H new ATOM 0 HG LEU A 56 25.482 27.838 9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.170 26.039 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.586 25.376 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.874 25.543 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.858 28.315 9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.559 27.834 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.759 29.275 8.208 1.00 0.00 H new ATOM 904 N SER A 57 22.030 26.813 6.372 1.00 0.00 N ATOM 905 CA SER A 57 20.875 27.348 5.655 1.00 0.00 C ATOM 906 C SER A 57 19.653 27.370 6.561 1.00 0.00 C ATOM 907 O SER A 57 18.840 28.293 6.499 1.00 0.00 O ATOM 908 CB SER A 57 20.570 26.500 4.418 1.00 0.00 C ATOM 909 OG SER A 57 20.149 25.206 4.828 1.00 0.00 O ATOM 0 H SER A 57 22.549 26.092 5.870 1.00 0.00 H new ATOM 0 HA SER A 57 21.113 28.365 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.793 26.975 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.456 26.424 3.787 1.00 0.00 H new ATOM 0 HG SER A 57 19.951 24.661 4.038 1.00 0.00 H new ATOM 915 N ASP A 58 19.535 26.357 7.413 1.00 0.00 N ATOM 916 CA ASP A 58 18.413 26.286 8.335 1.00 0.00 C ATOM 917 C ASP A 58 18.338 27.585 9.126 1.00 0.00 C ATOM 918 O ASP A 58 17.264 28.154 9.320 1.00 0.00 O ATOM 919 CB ASP A 58 18.596 25.105 9.294 1.00 0.00 C ATOM 920 CG ASP A 58 18.706 23.800 8.508 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.166 23.740 7.415 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.328 22.879 9.012 1.00 0.00 O ATOM 0 H ASP A 58 20.196 25.583 7.483 1.00 0.00 H new ATOM 0 HA ASP A 58 17.489 26.142 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.492 25.252 9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.753 25.053 9.983 1.00 0.00 H new ATOM 927 N TYR A 59 19.507 28.051 9.560 1.00 0.00 N ATOM 928 CA TYR A 59 19.627 29.295 10.320 1.00 0.00 C ATOM 929 C TYR A 59 20.182 30.395 9.416 1.00 0.00 C ATOM 930 O TYR A 59 21.365 30.376 9.111 1.00 0.00 O ATOM 931 CB TYR A 59 20.598 29.076 11.482 1.00 0.00 C ATOM 932 CG TYR A 59 20.077 27.984 12.387 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.663 26.709 12.366 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.013 28.248 13.254 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.181 25.703 13.212 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.530 27.243 14.098 1.00 0.00 C ATOM 937 CZ TYR A 59 19.113 25.970 14.079 1.00 0.00 C ATOM 938 OH TYR A 59 18.638 24.980 14.912 1.00 0.00 O ATOM 0 H TYR A 59 20.396 27.579 9.396 1.00 0.00 H new ATOM 0 HA TYR A 59 18.647 29.588 10.696 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.582 28.805 11.099 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.719 30.001 12.046 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.486 26.504 11.697 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.563 29.230 13.272 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.632 24.722 13.196 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.706 27.449 14.765 1.00 0.00 H new ATOM 0 HH TYR A 59 17.897 25.331 15.448 1.00 0.00 H new ATOM 948 N ASN A 60 19.311 31.298 8.944 1.00 0.00 N ATOM 949 CA ASN A 60 19.713 32.375 8.014 1.00 0.00 C ATOM 950 C ASN A 60 20.983 33.134 8.448 1.00 0.00 C ATOM 951 O ASN A 60 20.939 34.332 8.729 1.00 0.00 O ATOM 952 CB ASN A 60 18.563 33.376 7.840 1.00 0.00 C ATOM 953 CG ASN A 60 17.273 32.640 7.485 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.067 32.268 6.329 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.385 32.409 8.413 1.00 0.00 N ATOM 0 H ASN A 60 18.321 31.308 9.189 1.00 0.00 H new ATOM 0 HA ASN A 60 19.947 31.882 7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.424 33.945 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.810 34.092 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.520 31.920 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.556 32.717 9.370 1.00 0.00 H new ATOM 962 N ILE A 61 22.107 32.421 8.472 1.00 0.00 N ATOM 963 CA ILE A 61 23.406 32.991 8.833 1.00 0.00 C ATOM 964 C ILE A 61 24.169 33.328 7.552 1.00 0.00 C ATOM 965 O ILE A 61 24.695 32.435 6.895 1.00 0.00 O ATOM 966 CB ILE A 61 24.214 31.961 9.634 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.534 31.683 10.976 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.631 32.489 9.880 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.186 30.456 11.623 1.00 0.00 C ATOM 0 H ILE A 61 22.144 31.428 8.241 1.00 0.00 H new ATOM 0 HA ILE A 61 23.258 33.888 9.434 1.00 0.00 H new ATOM 0 HB ILE A 61 24.265 31.035 9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.628 32.549 11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.468 31.509 10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.200 31.754 10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.124 32.668 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.579 33.422 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.707 30.251 12.580 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.069 29.593 10.967 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.247 30.649 11.783 1.00 0.00 H new ATOM 981 N GLN A 62 24.209 34.606 7.178 1.00 0.00 N ATOM 982 CA GLN A 62 24.895 35.000 5.943 1.00 0.00 C ATOM 983 C GLN A 62 26.378 35.264 6.162 1.00 0.00 C ATOM 984 O GLN A 62 26.884 35.191 7.282 1.00 0.00 O ATOM 985 CB GLN A 62 24.244 36.244 5.343 1.00 0.00 C ATOM 986 CG GLN A 62 22.746 36.000 5.163 1.00 0.00 C ATOM 987 CD GLN A 62 22.522 34.873 4.160 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.397 33.711 4.549 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.466 35.147 2.886 1.00 0.00 N ATOM 0 H GLN A 62 23.785 35.374 7.698 1.00 0.00 H new ATOM 0 HA GLN A 62 24.802 34.162 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.408 37.103 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.703 36.480 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.293 35.742 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.259 36.911 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.570 36.110 2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.318 34.398 2.209 1.00 0.00 H new ATOM 998 N LYS A 63 27.066 35.553 5.062 1.00 0.00 N ATOM 999 CA LYS A 63 28.500 35.804 5.107 1.00 0.00 C ATOM 1000 C LYS A 63 28.847 36.975 6.020 1.00 0.00 C ATOM 1001 O LYS A 63 28.112 37.962 6.111 1.00 0.00 O ATOM 1002 CB LYS A 63 29.051 36.054 3.691 1.00 0.00 C ATOM 1003 CG LYS A 63 28.435 37.310 3.061 1.00 0.00 C ATOM 1004 CD LYS A 63 29.164 37.601 1.742 1.00 0.00 C ATOM 1005 CE LYS A 63 28.597 38.866 1.092 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.397 39.202 -0.122 1.00 0.00 N ATOM 0 H LYS A 63 26.654 35.619 4.131 1.00 0.00 H new ATOM 0 HA LYS A 63 28.970 34.912 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.135 36.162 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.842 35.190 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.371 37.160 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.527 38.158 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.231 37.726 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.055 36.755 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.552 38.712 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.624 39.695 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.013 40.061 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.388 39.366 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.349 38.413 -0.798 1.00 0.00 H new ATOM 1020 N GLU A 64 29.998 36.845 6.677 1.00 0.00 N ATOM 1021 CA GLU A 64 30.504 37.876 7.576 1.00 0.00 C ATOM 1022 C GLU A 64 29.528 38.188 8.710 1.00 0.00 C ATOM 1023 O GLU A 64 28.958 39.277 8.770 1.00 0.00 O ATOM 1024 CB GLU A 64 30.824 39.146 6.784 1.00 0.00 C ATOM 1025 CG GLU A 64 31.861 38.808 5.710 1.00 0.00 C ATOM 1026 CD GLU A 64 32.227 40.053 4.912 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.324 40.798 4.565 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.404 40.243 4.657 1.00 0.00 O ATOM 0 H GLU A 64 30.602 36.026 6.601 1.00 0.00 H new ATOM 0 HA GLU A 64 31.415 37.492 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.919 39.542 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.208 39.919 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.754 38.392 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.465 38.044 5.041 1.00 0.00 H new HETATM 1035 N SEP A 65 29.370 37.230 9.624 1.00 0.00 N HETATM 1036 CA SEP A 65 28.493 37.393 10.786 1.00 0.00 C HETATM 1037 CB SEP A 65 27.260 36.490 10.652 1.00 0.00 C HETATM 1038 OG SEP A 65 26.491 36.902 9.525 1.00 0.00 O HETATM 1039 C SEP A 65 29.276 37.001 12.035 1.00 0.00 C HETATM 1040 O SEP A 65 30.271 36.281 11.934 1.00 0.00 O HETATM 1041 P SEP A 65 25.393 37.970 9.680 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.711 38.700 11.030 1.00 0.00 O HETATM 1043 O2P SEP A 65 24.044 37.174 9.709 1.00 0.00 O HETATM 1044 O3P SEP A 65 25.540 38.897 8.425 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.568 35.451 10.536 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.656 36.544 11.558 1.00 0.00 H new HETATM 0 HA SEP A 65 28.159 38.429 10.853 1.00 0.00 H new ATOM 1049 N THR A 66 28.854 37.471 13.209 1.00 0.00 N ATOM 1050 CA THR A 66 29.566 37.140 14.449 1.00 0.00 C ATOM 1051 C THR A 66 28.837 36.038 15.211 1.00 0.00 C ATOM 1052 O THR A 66 27.669 36.184 15.574 1.00 0.00 O ATOM 1053 CB THR A 66 29.686 38.381 15.336 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.285 39.434 14.591 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.559 38.055 16.552 1.00 0.00 C ATOM 0 H THR A 66 28.038 38.071 13.330 1.00 0.00 H new ATOM 0 HA THR A 66 30.563 36.786 14.185 1.00 0.00 H new ATOM 0 HB THR A 66 28.696 38.689 15.672 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.362 40.231 15.155 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.646 38.938 17.185 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.103 37.244 17.120 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.550 37.750 16.217 1.00 0.00 H new ATOM 1063 N LEU A 67 29.546 34.932 15.454 1.00 0.00 N ATOM 1064 CA LEU A 67 28.979 33.792 16.178 1.00 0.00 C ATOM 1065 C LEU A 67 29.509 33.778 17.609 1.00 0.00 C ATOM 1066 O LEU A 67 30.652 34.173 17.852 1.00 0.00 O ATOM 1067 CB LEU A 67 29.365 32.487 15.469 1.00 0.00 C ATOM 1068 CG LEU A 67 28.676 31.289 16.141 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.148 31.376 15.952 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.203 29.985 15.516 1.00 0.00 C ATOM 0 H LEU A 67 30.514 34.802 15.160 1.00 0.00 H new ATOM 0 HA LEU A 67 27.893 33.882 16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.078 32.538 14.419 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.447 32.356 15.498 1.00 0.00 H new ATOM 0 HG LEU A 67 28.897 31.301 17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.673 30.521 16.433 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.778 32.297 16.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.912 31.371 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.717 29.132 15.990 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.985 29.980 14.448 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.280 29.919 15.667 1.00 0.00 H new ATOM 1082 N HIS A 68 28.687 33.326 18.564 1.00 0.00 N ATOM 1083 CA HIS A 68 29.117 33.278 19.960 1.00 0.00 C ATOM 1084 C HIS A 68 29.534 31.854 20.339 1.00 0.00 C ATOM 1085 O HIS A 68 28.748 30.916 20.198 1.00 0.00 O ATOM 1086 CB HIS A 68 27.975 33.735 20.871 1.00 0.00 C ATOM 1087 CG HIS A 68 27.744 35.212 20.684 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.046 35.720 19.599 1.00 0.00 N ATOM 1089 CD2 HIS A 68 28.112 36.301 21.436 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.016 37.061 19.727 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.652 37.467 20.829 1.00 0.00 N ATOM 0 H HIS A 68 27.737 32.994 18.397 1.00 0.00 H new ATOM 0 HA HIS A 68 29.971 33.944 20.085 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.066 33.181 20.638 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.219 33.523 21.912 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.673 36.259 22.358 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.536 37.726 19.024 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.775 38.425 21.156 1.00 0.00 H new ATOM 1100 N LEU A 69 30.769 31.690 20.831 1.00 0.00 N ATOM 1101 CA LEU A 69 31.270 30.393 21.236 1.00 0.00 C ATOM 1102 C LEU A 69 31.318 30.354 22.749 1.00 0.00 C ATOM 1103 O LEU A 69 32.147 31.005 23.386 1.00 0.00 O ATOM 1104 CB LEU A 69 32.666 30.169 20.649 1.00 0.00 C ATOM 1105 CG LEU A 69 33.096 28.700 20.838 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.345 28.421 19.996 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.408 28.419 22.323 1.00 0.00 C ATOM 0 H LEU A 69 31.435 32.453 20.954 1.00 0.00 H new ATOM 0 HA LEU A 69 30.616 29.602 20.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.667 30.422 19.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.383 30.830 21.135 1.00 0.00 H new ATOM 0 HG LEU A 69 32.281 28.051 20.518 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.649 27.383 20.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.123 28.602 18.944 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.153 29.080 20.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.710 27.378 22.441 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.216 29.071 22.655 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.519 28.609 22.924 1.00 0.00 H new ATOM 1119 N VAL A 70 30.416 29.575 23.311 1.00 0.00 N ATOM 1120 CA VAL A 70 30.319 29.414 24.759 1.00 0.00 C ATOM 1121 C VAL A 70 30.822 28.036 25.160 1.00 0.00 C ATOM 1122 O VAL A 70 30.593 27.053 24.457 1.00 0.00 O ATOM 1123 CB VAL A 70 28.863 29.583 25.193 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.756 29.452 26.713 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.369 30.968 24.768 1.00 0.00 C ATOM 0 H VAL A 70 29.729 29.035 22.785 1.00 0.00 H new ATOM 0 HA VAL A 70 30.932 30.170 25.249 1.00 0.00 H new ATOM 0 HB VAL A 70 28.254 28.812 24.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.716 29.573 27.016 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.111 28.468 27.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.365 30.221 27.188 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.331 31.094 25.075 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.983 31.734 25.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.441 31.063 23.685 1.00 0.00 H new ATOM 1135 N LEU A 71 31.515 27.968 26.293 1.00 0.00 N ATOM 1136 CA LEU A 71 32.057 26.700 26.782 1.00 0.00 C ATOM 1137 C LEU A 71 31.474 26.365 28.148 1.00 0.00 C ATOM 1138 O LEU A 71 30.809 27.190 28.776 1.00 0.00 O ATOM 1139 CB LEU A 71 33.589 26.780 26.879 1.00 0.00 C ATOM 1140 CG LEU A 71 34.013 28.200 27.316 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.323 28.122 28.108 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.218 29.093 26.078 1.00 0.00 C ATOM 0 H LEU A 71 31.715 28.771 26.889 1.00 0.00 H new ATOM 0 HA LEU A 71 31.783 25.914 26.078 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.956 26.045 27.595 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.037 26.537 25.915 1.00 0.00 H new ATOM 0 HG LEU A 71 33.230 28.628 27.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.622 29.124 28.416 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.178 27.499 28.991 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.102 27.688 27.481 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.517 30.092 26.395 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.996 28.665 25.446 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.286 29.154 25.515 1.00 0.00 H new ATOM 1154 N ARG A 72 31.738 25.149 28.601 1.00 0.00 N ATOM 1155 CA ARG A 72 31.248 24.706 29.896 1.00 0.00 C ATOM 1156 C ARG A 72 31.828 25.569 31.004 1.00 0.00 C ATOM 1157 O ARG A 72 31.334 25.566 32.131 1.00 0.00 O ATOM 1158 CB ARG A 72 31.638 23.241 30.124 1.00 0.00 C ATOM 1159 CG ARG A 72 30.886 22.346 29.126 1.00 0.00 C ATOM 1160 CD ARG A 72 29.521 21.963 29.707 1.00 0.00 C ATOM 1161 NE ARG A 72 29.696 21.139 30.897 1.00 0.00 N ATOM 1162 CZ ARG A 72 28.673 20.861 31.696 1.00 0.00 C ATOM 1163 NH1 ARG A 72 28.852 20.117 32.753 1.00 0.00 N ATOM 1164 NH2 ARG A 72 27.488 21.334 31.424 1.00 0.00 N ATOM 0 H ARG A 72 32.286 24.455 28.093 1.00 0.00 H new ATOM 0 HA ARG A 72 30.162 24.799 29.910 1.00 0.00 H new ATOM 0 HB2 ARG A 72 32.714 23.117 30.000 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.399 22.945 31.145 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.756 22.870 28.179 1.00 0.00 H new ATOM 0 HG3 ARG A 72 31.468 21.449 28.916 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.958 22.862 29.958 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.939 21.420 28.962 1.00 0.00 H new ATOM 0 HE ARG A 72 30.620 20.770 31.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 29.779 19.748 32.966 1.00 0.00 H new ATOM 0 HH12 ARG A 72 28.065 19.904 33.366 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.349 21.917 30.598 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.701 21.121 32.037 1.00 0.00 H new ATOM 1178 N LEU A 73 32.881 26.303 30.679 1.00 0.00 N ATOM 1179 CA LEU A 73 33.528 27.162 31.654 1.00 0.00 C ATOM 1180 C LEU A 73 34.272 26.332 32.692 1.00 0.00 C ATOM 1181 O LEU A 73 34.282 26.664 33.877 1.00 0.00 O ATOM 1182 CB LEU A 73 32.476 28.057 32.352 1.00 0.00 C ATOM 1183 CG LEU A 73 33.043 29.469 32.585 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.310 29.385 33.453 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.383 30.127 31.231 1.00 0.00 C ATOM 0 H LEU A 73 33.303 26.320 29.751 1.00 0.00 H new ATOM 0 HA LEU A 73 34.248 27.793 31.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.576 28.116 31.740 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.186 27.613 33.304 1.00 0.00 H new ATOM 0 HG LEU A 73 32.295 30.073 33.099 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.707 30.387 33.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.064 28.933 34.414 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.058 28.776 32.946 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.784 31.126 31.402 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.125 29.523 30.709 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.480 30.197 30.624 1.00 0.00 H new ATOM 1197 N ARG A 74 34.881 25.248 32.238 1.00 0.00 N ATOM 1198 CA ARG A 74 35.619 24.365 33.134 1.00 0.00 C ATOM 1199 C ARG A 74 37.039 24.881 33.339 1.00 0.00 C ATOM 1200 O ARG A 74 37.949 24.546 32.580 1.00 0.00 O ATOM 1201 CB ARG A 74 35.666 22.956 32.542 1.00 0.00 C ATOM 1202 CG ARG A 74 36.202 21.978 33.588 1.00 0.00 C ATOM 1203 CD ARG A 74 36.226 20.566 33.002 1.00 0.00 C ATOM 1204 NE ARG A 74 34.867 20.104 32.742 1.00 0.00 N ATOM 1205 CZ ARG A 74 34.630 19.107 31.895 1.00 0.00 C ATOM 1206 NH1 ARG A 74 33.405 18.712 31.677 1.00 0.00 N ATOM 1207 NH2 ARG A 74 35.623 18.522 31.281 1.00 0.00 N ATOM 0 H ARG A 74 34.881 24.958 31.260 1.00 0.00 H new ATOM 0 HA ARG A 74 35.112 24.340 34.098 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.670 22.652 32.222 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.303 22.943 31.657 1.00 0.00 H new ATOM 0 HG2 ARG A 74 37.205 22.272 33.896 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.575 22.003 34.479 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.803 20.558 32.078 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.723 19.886 33.694 1.00 0.00 H new ATOM 0 HE ARG A 74 34.085 20.554 33.218 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.629 19.168 32.157 1.00 0.00 H new ATOM 0 HH12 ARG A 74 33.224 17.947 31.027 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.580 18.830 31.451 1.00 0.00 H new ATOM 0 HH22 ARG A 74 35.441 17.757 30.631 1.00 0.00 H new ATOM 1221 N GLY A 75 37.224 25.700 34.371 1.00 0.00 N ATOM 1222 CA GLY A 75 38.540 26.256 34.666 1.00 0.00 C ATOM 1223 C GLY A 75 38.475 27.209 35.855 1.00 0.00 C ATOM 1224 O GLY A 75 37.404 27.693 36.217 1.00 0.00 O ATOM 0 H GLY A 75 36.486 25.991 35.012 1.00 0.00 H new ATOM 0 HA2 GLY A 75 39.240 25.449 34.880 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.920 26.785 33.792 1.00 0.00 H new ATOM 1228 N GLY A 76 39.630 27.473 36.458 1.00 0.00 N ATOM 1229 CA GLY A 76 39.695 28.370 37.606 1.00 0.00 C ATOM 1230 C GLY A 76 41.041 28.254 38.313 1.00 0.00 C ATOM 1231 O GLY A 76 42.004 27.903 37.651 1.00 0.00 O ATOM 1232 OXT GLY A 76 41.089 28.517 39.502 1.00 0.00 O ATOM 0 H GLY A 76 40.528 27.082 36.173 1.00 0.00 H new ATOM 0 HA2 GLY A 76 39.539 29.398 37.278 1.00 0.00 H new ATOM 0 HA3 GLY A 76 38.892 28.133 38.304 1.00 0.00 H new TER 1236 GLY A 76