USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 22 THR OG1 : rot -169:sc= -1.89 USER MOD Set 1.2: A 25 ASN : amide:sc= -3.69! C(o=-5.6!,f=-4.3!) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= -0.469 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.613 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.688 (180deg=-4.31!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0538 (180deg=-0.477) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0215) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 14 THR OG1 : rot 24:sc= 0.448 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -1.28 (180deg=-2.67!) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.11) USER MOD Single : A 31 GLN : amide:sc= -2 K(o=-2,f=-4.7!) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -2.97! (180deg=-4.56!) USER MOD Single : A 40 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.93) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ -100:sc= -0.196 (180deg=-3.33!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.073 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 68 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.575 27.980 2.948 1.00 0.00 N ATOM 2 CA MET A 1 28.172 28.484 2.927 1.00 0.00 C ATOM 3 C MET A 1 28.052 29.695 3.855 1.00 0.00 C ATOM 4 O MET A 1 28.881 29.916 4.715 1.00 0.00 O ATOM 5 CB MET A 1 27.226 27.379 3.402 1.00 0.00 C ATOM 6 CG MET A 1 25.786 27.746 3.040 1.00 0.00 C ATOM 7 SD MET A 1 24.687 26.372 3.465 1.00 0.00 S ATOM 8 CE MET A 1 23.164 27.088 2.801 1.00 0.00 C ATOM 0 H1 MET A 1 29.963 27.993 1.983 1.00 0.00 H new ATOM 0 H2 MET A 1 30.153 28.589 3.562 1.00 0.00 H new ATOM 0 H3 MET A 1 29.589 27.007 3.314 1.00 0.00 H new ATOM 0 HA MET A 1 27.905 28.777 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.497 26.430 2.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.318 27.246 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.484 28.646 3.575 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.713 27.968 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.338 26.395 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.951 28.028 3.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.284 27.273 1.734 1.00 0.00 H new ATOM 20 N GLN A 2 27.025 30.484 3.688 1.00 0.00 N ATOM 21 CA GLN A 2 26.852 31.679 4.560 1.00 0.00 C ATOM 22 C GLN A 2 26.418 31.231 5.957 1.00 0.00 C ATOM 23 O GLN A 2 25.250 31.010 6.214 1.00 0.00 O ATOM 24 CB GLN A 2 25.781 32.595 3.964 1.00 0.00 C ATOM 25 CG GLN A 2 26.201 33.021 2.555 1.00 0.00 C ATOM 26 CD GLN A 2 25.157 33.981 1.979 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.893 35.021 2.549 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.550 33.674 0.867 1.00 0.00 N ATOM 0 H GLN A 2 26.298 30.352 2.985 1.00 0.00 H new ATOM 0 HA GLN A 2 27.796 32.219 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.823 32.077 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.645 33.473 4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.177 33.505 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.299 32.146 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.772 32.801 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.853 34.307 0.475 1.00 0.00 H new ATOM 37 N ILE A 3 27.351 31.094 6.867 1.00 0.00 N ATOM 38 CA ILE A 3 27.000 30.658 8.256 1.00 0.00 C ATOM 39 C ILE A 3 26.945 31.873 9.180 1.00 0.00 C ATOM 40 O ILE A 3 27.837 32.700 9.196 1.00 0.00 O ATOM 41 CB ILE A 3 28.063 29.685 8.768 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.046 28.419 7.911 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.760 29.321 10.224 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.261 27.556 8.252 1.00 0.00 C ATOM 0 H ILE A 3 28.344 31.266 6.708 1.00 0.00 H new ATOM 0 HA ILE A 3 26.027 30.167 8.243 1.00 0.00 H new ATOM 0 HB ILE A 3 29.046 30.152 8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.128 27.859 8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.059 28.683 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.517 28.627 10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.769 30.224 10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.778 28.852 10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.249 26.653 7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.174 28.117 8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.228 27.281 9.306 1.00 0.00 H new ATOM 56 N PHE A 4 25.897 31.989 9.948 1.00 0.00 N ATOM 57 CA PHE A 4 25.765 33.149 10.878 1.00 0.00 C ATOM 58 C PHE A 4 26.430 32.813 12.216 1.00 0.00 C ATOM 59 O PHE A 4 26.608 31.661 12.564 1.00 0.00 O ATOM 60 CB PHE A 4 24.281 33.448 11.107 1.00 0.00 C ATOM 61 CG PHE A 4 23.709 34.128 9.883 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.324 33.365 8.774 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.568 35.521 9.858 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.797 33.995 7.641 1.00 0.00 C ATOM 65 CE2 PHE A 4 23.040 36.151 8.725 1.00 0.00 C ATOM 66 CZ PHE A 4 22.655 35.388 7.616 1.00 0.00 C ATOM 0 H PHE A 4 25.121 31.327 9.972 1.00 0.00 H new ATOM 0 HA PHE A 4 26.251 34.022 10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.740 32.524 11.309 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.158 34.087 11.982 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.434 32.291 8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.867 36.109 10.713 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.500 33.407 6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.930 37.225 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 4 22.248 35.874 6.741 1.00 0.00 H new ATOM 76 N VAL A 5 26.788 33.819 12.973 1.00 0.00 N ATOM 77 CA VAL A 5 27.437 33.590 14.299 1.00 0.00 C ATOM 78 C VAL A 5 26.791 34.520 15.326 1.00 0.00 C ATOM 79 O VAL A 5 27.041 35.708 15.339 1.00 0.00 O ATOM 80 CB VAL A 5 28.930 33.907 14.193 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.587 33.752 15.565 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.586 32.944 13.202 1.00 0.00 C ATOM 0 H VAL A 5 26.657 34.800 12.726 1.00 0.00 H new ATOM 0 HA VAL A 5 27.310 32.551 14.605 1.00 0.00 H new ATOM 0 HB VAL A 5 29.058 34.932 13.845 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.650 33.978 15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.121 34.439 16.271 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.459 32.728 15.916 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.650 33.169 13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.456 31.919 13.550 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.120 33.056 12.223 1.00 0.00 H new ATOM 92 N LYS A 6 25.954 33.993 16.183 1.00 0.00 N ATOM 93 CA LYS A 6 25.278 34.847 17.208 1.00 0.00 C ATOM 94 C LYS A 6 26.001 34.724 18.551 1.00 0.00 C ATOM 95 O LYS A 6 26.172 33.644 19.079 1.00 0.00 O ATOM 96 CB LYS A 6 23.828 34.382 17.371 1.00 0.00 C ATOM 97 CG LYS A 6 23.100 35.303 18.352 1.00 0.00 C ATOM 98 CD LYS A 6 21.630 34.893 18.445 1.00 0.00 C ATOM 99 CE LYS A 6 20.919 35.772 19.475 1.00 0.00 C ATOM 100 NZ LYS A 6 20.951 37.191 19.021 1.00 0.00 N ATOM 0 H LYS A 6 25.708 33.004 16.218 1.00 0.00 H new ATOM 0 HA LYS A 6 25.302 35.887 16.883 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.322 34.390 16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.804 33.355 17.735 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.567 35.246 19.335 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.179 36.339 18.021 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.151 34.995 17.471 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.551 33.844 18.730 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.888 35.442 19.601 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.405 35.678 20.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.230 37.736 19.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.890 37.595 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.755 37.233 18.000 1.00 0.00 H new ATOM 114 N THR A 7 26.419 35.829 19.112 1.00 0.00 N ATOM 115 CA THR A 7 27.122 35.783 20.429 1.00 0.00 C ATOM 116 C THR A 7 26.091 35.939 21.549 1.00 0.00 C ATOM 117 O THR A 7 25.002 36.430 21.336 1.00 0.00 O ATOM 118 CB THR A 7 28.134 36.929 20.504 1.00 0.00 C ATOM 119 OG1 THR A 7 27.446 38.171 20.435 1.00 0.00 O ATOM 120 CG2 THR A 7 29.118 36.822 19.340 1.00 0.00 C ATOM 0 H THR A 7 26.304 36.762 18.715 1.00 0.00 H new ATOM 0 HA THR A 7 27.643 34.832 20.538 1.00 0.00 H new ATOM 0 HB THR A 7 28.682 36.869 21.444 1.00 0.00 H new ATOM 0 HG1 THR A 7 27.633 38.694 21.242 1.00 0.00 H new ATOM 0 HG21 THR A 7 29.837 37.639 19.396 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.645 35.870 19.396 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.574 36.881 18.397 1.00 0.00 H new ATOM 128 N LEU A 8 26.423 35.527 22.743 1.00 0.00 N ATOM 129 CA LEU A 8 25.451 35.660 23.866 1.00 0.00 C ATOM 130 C LEU A 8 25.238 37.141 24.180 1.00 0.00 C ATOM 131 O LEU A 8 24.249 37.524 24.773 1.00 0.00 O ATOM 132 CB LEU A 8 25.996 34.949 25.108 1.00 0.00 C ATOM 133 CG LEU A 8 26.326 33.489 24.773 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.866 32.794 26.028 1.00 0.00 C ATOM 135 CD2 LEU A 8 25.062 32.762 24.284 1.00 0.00 C ATOM 0 H LEU A 8 27.319 35.107 22.988 1.00 0.00 H new ATOM 0 HA LEU A 8 24.502 35.206 23.578 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.890 35.460 25.467 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.261 34.989 25.912 1.00 0.00 H new ATOM 0 HG LEU A 8 27.077 33.461 23.984 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.102 31.756 25.796 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.768 33.304 26.367 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.113 32.827 26.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 25.306 31.726 24.049 1.00 0.00 H new ATOM 0 HD22 LEU A 8 24.302 32.787 25.065 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.680 33.257 23.391 1.00 0.00 H new ATOM 147 N THR A 9 26.157 37.979 23.783 1.00 0.00 N ATOM 148 CA THR A 9 26.004 39.438 24.056 1.00 0.00 C ATOM 149 C THR A 9 25.088 40.056 22.999 1.00 0.00 C ATOM 150 O THR A 9 24.815 41.240 23.014 1.00 0.00 O ATOM 151 CB THR A 9 27.377 40.114 23.998 1.00 0.00 C ATOM 152 OG1 THR A 9 27.931 39.947 22.700 1.00 0.00 O ATOM 153 CG2 THR A 9 28.304 39.479 25.035 1.00 0.00 C ATOM 0 H THR A 9 27.006 37.718 23.282 1.00 0.00 H new ATOM 0 HA THR A 9 25.570 39.581 25.046 1.00 0.00 H new ATOM 0 HB THR A 9 27.268 41.177 24.213 1.00 0.00 H new ATOM 0 HG1 THR A 9 28.809 40.380 22.661 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.281 39.961 24.993 1.00 0.00 H new ATOM 0 HG22 THR A 9 27.879 39.607 26.030 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.414 38.416 24.822 1.00 0.00 H new ATOM 161 N GLY A 10 24.613 39.262 22.077 1.00 0.00 N ATOM 162 CA GLY A 10 23.712 39.794 21.010 1.00 0.00 C ATOM 163 C GLY A 10 24.548 40.218 19.802 1.00 0.00 C ATOM 164 O GLY A 10 24.042 40.379 18.709 1.00 0.00 O ATOM 0 H GLY A 10 24.810 38.263 22.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.989 39.033 20.716 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.144 40.644 21.389 1.00 0.00 H new ATOM 168 N LYS A 11 25.828 40.398 19.989 1.00 0.00 N ATOM 169 CA LYS A 11 26.696 40.813 18.852 1.00 0.00 C ATOM 170 C LYS A 11 26.744 39.688 17.814 1.00 0.00 C ATOM 171 O LYS A 11 27.504 38.748 17.938 1.00 0.00 O ATOM 172 CB LYS A 11 28.112 41.100 19.369 1.00 0.00 C ATOM 173 CG LYS A 11 28.159 42.482 20.050 1.00 0.00 C ATOM 174 CD LYS A 11 28.412 43.590 19.006 1.00 0.00 C ATOM 175 CE LYS A 11 29.918 43.752 18.760 1.00 0.00 C ATOM 176 NZ LYS A 11 30.516 44.557 19.864 1.00 0.00 N ATOM 0 H LYS A 11 26.309 40.275 20.880 1.00 0.00 H new ATOM 0 HA LYS A 11 26.291 41.714 18.391 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.412 40.327 20.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.822 41.069 18.543 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.219 42.671 20.569 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.947 42.497 20.803 1.00 0.00 H new ATOM 0 HD2 LYS A 11 27.908 43.342 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 11 27.990 44.532 19.355 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.396 42.774 18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.091 44.243 17.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.504 44.267 20.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.484 45.566 19.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.977 44.400 20.740 1.00 0.00 H new ATOM 190 N THR A 12 25.935 39.778 16.790 1.00 0.00 N ATOM 191 CA THR A 12 25.922 38.718 15.733 1.00 0.00 C ATOM 192 C THR A 12 26.726 39.202 14.525 1.00 0.00 C ATOM 193 O THR A 12 26.425 40.225 13.943 1.00 0.00 O ATOM 194 CB THR A 12 24.476 38.450 15.305 1.00 0.00 C ATOM 195 OG1 THR A 12 23.735 37.982 16.422 1.00 0.00 O ATOM 196 CG2 THR A 12 24.450 37.396 14.195 1.00 0.00 C ATOM 0 H THR A 12 25.279 40.544 16.638 1.00 0.00 H new ATOM 0 HA THR A 12 26.364 37.802 16.125 1.00 0.00 H new ATOM 0 HB THR A 12 24.032 39.373 14.932 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.809 37.811 16.152 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.419 37.209 13.895 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.018 37.757 13.338 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.894 36.471 14.562 1.00 0.00 H new ATOM 204 N ILE A 13 27.749 38.475 14.140 1.00 0.00 N ATOM 205 CA ILE A 13 28.587 38.881 12.967 1.00 0.00 C ATOM 206 C ILE A 13 28.301 37.939 11.796 1.00 0.00 C ATOM 207 O ILE A 13 27.861 36.821 11.980 1.00 0.00 O ATOM 208 CB ILE A 13 30.067 38.791 13.348 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.405 37.358 13.769 1.00 0.00 C ATOM 210 CG2 ILE A 13 30.353 39.742 14.511 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.857 37.299 14.250 1.00 0.00 C ATOM 0 H ILE A 13 28.041 37.609 14.593 1.00 0.00 H new ATOM 0 HA ILE A 13 28.349 39.905 12.678 1.00 0.00 H new ATOM 0 HB ILE A 13 30.677 39.070 12.489 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.734 37.033 14.564 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.260 36.677 12.930 1.00 0.00 H new ATOM 0 HG21 ILE A 13 31.407 39.678 14.783 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.116 40.763 14.212 1.00 0.00 H new ATOM 0 HG23 ILE A 13 29.740 39.463 15.368 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.100 36.280 14.550 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.521 37.607 13.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 31.986 37.968 15.101 1.00 0.00 H new ATOM 223 N THR A 14 28.555 38.379 10.592 1.00 0.00 N ATOM 224 CA THR A 14 28.306 37.510 9.401 1.00 0.00 C ATOM 225 C THR A 14 29.619 36.848 8.972 1.00 0.00 C ATOM 226 O THR A 14 30.592 37.514 8.684 1.00 0.00 O ATOM 227 CB THR A 14 27.775 38.369 8.251 1.00 0.00 C ATOM 228 OG1 THR A 14 28.713 39.393 7.953 1.00 0.00 O ATOM 229 CG2 THR A 14 26.441 38.999 8.656 1.00 0.00 C ATOM 0 H THR A 14 28.925 39.305 10.380 1.00 0.00 H new ATOM 0 HA THR A 14 27.575 36.743 9.655 1.00 0.00 H new ATOM 0 HB THR A 14 27.627 37.745 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.605 39.115 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 14 26.064 39.611 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.721 38.213 8.883 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.586 39.623 9.538 1.00 0.00 H new ATOM 237 N LEU A 15 29.648 35.535 8.927 1.00 0.00 N ATOM 238 CA LEU A 15 30.889 34.804 8.515 1.00 0.00 C ATOM 239 C LEU A 15 30.568 33.920 7.305 1.00 0.00 C ATOM 240 O LEU A 15 29.801 32.983 7.401 1.00 0.00 O ATOM 241 CB LEU A 15 31.352 33.922 9.692 1.00 0.00 C ATOM 242 CG LEU A 15 32.866 33.644 9.594 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.650 34.795 10.230 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.204 32.344 10.333 1.00 0.00 C ATOM 0 H LEU A 15 28.857 34.935 9.160 1.00 0.00 H new ATOM 0 HA LEU A 15 31.676 35.509 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.127 34.418 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 15 30.802 32.981 9.688 1.00 0.00 H new ATOM 0 HG LEU A 15 33.138 33.552 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.718 34.592 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.421 35.724 9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.370 34.890 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.275 32.152 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 32.922 32.438 11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.656 31.516 9.883 1.00 0.00 H new ATOM 256 N GLU A 16 31.146 34.212 6.166 1.00 0.00 N ATOM 257 CA GLU A 16 30.876 33.394 4.940 1.00 0.00 C ATOM 258 C GLU A 16 32.090 32.516 4.630 1.00 0.00 C ATOM 259 O GLU A 16 33.172 33.005 4.374 1.00 0.00 O ATOM 260 CB GLU A 16 30.616 34.330 3.757 1.00 0.00 C ATOM 261 CG GLU A 16 29.381 35.186 4.046 1.00 0.00 C ATOM 262 CD GLU A 16 29.110 36.109 2.856 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.910 36.105 1.935 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.106 36.802 2.887 1.00 0.00 O ATOM 0 H GLU A 16 31.797 34.986 6.031 1.00 0.00 H new ATOM 0 HA GLU A 16 30.005 32.762 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.483 34.969 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.465 33.750 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.517 34.547 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.537 35.776 4.949 1.00 0.00 H new ATOM 271 N VAL A 17 31.916 31.222 4.649 1.00 0.00 N ATOM 272 CA VAL A 17 33.059 30.312 4.353 1.00 0.00 C ATOM 273 C VAL A 17 32.517 28.947 3.916 1.00 0.00 C ATOM 274 O VAL A 17 31.474 28.510 4.360 1.00 0.00 O ATOM 275 CB VAL A 17 33.920 30.163 5.613 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.015 29.938 6.826 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.879 28.975 5.465 1.00 0.00 C ATOM 0 H VAL A 17 31.033 30.756 4.857 1.00 0.00 H new ATOM 0 HA VAL A 17 33.670 30.724 3.550 1.00 0.00 H new ATOM 0 HB VAL A 17 34.503 31.074 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.627 29.832 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.345 30.790 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.428 29.032 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.484 28.881 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.305 28.060 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.530 29.138 4.606 1.00 0.00 H new ATOM 287 N GLU A 18 33.216 28.278 3.041 1.00 0.00 N ATOM 288 CA GLU A 18 32.739 26.948 2.564 1.00 0.00 C ATOM 289 C GLU A 18 32.403 26.061 3.773 1.00 0.00 C ATOM 290 O GLU A 18 32.984 26.211 4.830 1.00 0.00 O ATOM 291 CB GLU A 18 33.840 26.285 1.729 1.00 0.00 C ATOM 292 CG GLU A 18 33.917 26.955 0.357 1.00 0.00 C ATOM 293 CD GLU A 18 35.044 26.319 -0.460 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.718 25.451 0.071 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.214 26.710 -1.603 1.00 0.00 O ATOM 0 H GLU A 18 34.097 28.594 2.635 1.00 0.00 H new ATOM 0 HA GLU A 18 31.846 27.077 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.799 26.369 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.633 25.221 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.967 26.845 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.096 28.024 0.472 1.00 0.00 H new ATOM 302 N PRO A 19 31.470 25.146 3.632 1.00 0.00 N ATOM 303 CA PRO A 19 31.062 24.237 4.746 1.00 0.00 C ATOM 304 C PRO A 19 32.097 23.136 5.023 1.00 0.00 C ATOM 305 O PRO A 19 32.143 22.580 6.099 1.00 0.00 O ATOM 306 CB PRO A 19 29.746 23.629 4.241 1.00 0.00 C ATOM 307 CG PRO A 19 29.892 23.614 2.756 1.00 0.00 C ATOM 308 CD PRO A 19 30.695 24.869 2.403 1.00 0.00 C ATOM 0 HA PRO A 19 30.967 24.771 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.595 22.624 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.888 24.226 4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.408 22.713 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.918 23.623 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.348 24.699 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.042 25.703 2.145 1.00 0.00 H new ATOM 316 N SER A 20 32.919 22.806 4.067 1.00 0.00 N ATOM 317 CA SER A 20 33.925 21.731 4.305 1.00 0.00 C ATOM 318 C SER A 20 35.054 22.267 5.190 1.00 0.00 C ATOM 319 O SER A 20 35.883 21.525 5.674 1.00 0.00 O ATOM 320 CB SER A 20 34.487 21.248 2.969 1.00 0.00 C ATOM 321 OG SER A 20 34.709 22.364 2.118 1.00 0.00 O ATOM 0 H SER A 20 32.940 23.229 3.139 1.00 0.00 H new ATOM 0 HA SER A 20 33.447 20.893 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.420 20.707 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.792 20.552 2.500 1.00 0.00 H new ATOM 0 HG SER A 20 35.071 22.055 1.261 1.00 0.00 H new ATOM 327 N ASP A 21 35.083 23.550 5.414 1.00 0.00 N ATOM 328 CA ASP A 21 36.142 24.124 6.278 1.00 0.00 C ATOM 329 C ASP A 21 36.144 23.360 7.608 1.00 0.00 C ATOM 330 O ASP A 21 35.128 22.846 8.035 1.00 0.00 O ATOM 331 CB ASP A 21 35.835 25.609 6.509 1.00 0.00 C ATOM 332 CG ASP A 21 36.417 26.441 5.359 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.556 26.861 5.477 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.718 26.635 4.381 1.00 0.00 O ATOM 0 H ASP A 21 34.418 24.224 5.035 1.00 0.00 H new ATOM 0 HA ASP A 21 37.123 24.035 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.758 25.762 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.260 25.935 7.458 1.00 0.00 H new ATOM 339 N THR A 22 37.270 23.266 8.263 1.00 0.00 N ATOM 340 CA THR A 22 37.319 22.516 9.553 1.00 0.00 C ATOM 341 C THR A 22 36.841 23.411 10.698 1.00 0.00 C ATOM 342 O THR A 22 36.611 24.589 10.525 1.00 0.00 O ATOM 343 CB THR A 22 38.759 22.073 9.823 1.00 0.00 C ATOM 344 OG1 THR A 22 39.580 23.218 10.002 1.00 0.00 O ATOM 345 CG2 THR A 22 39.274 21.252 8.640 1.00 0.00 C ATOM 0 H THR A 22 38.155 23.674 7.963 1.00 0.00 H new ATOM 0 HA THR A 22 36.668 21.644 9.487 1.00 0.00 H new ATOM 0 HB THR A 22 38.787 21.461 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.522 22.948 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.299 20.938 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.644 20.373 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.246 21.860 7.736 1.00 0.00 H new ATOM 353 N ILE A 23 36.695 22.854 11.868 1.00 0.00 N ATOM 354 CA ILE A 23 36.239 23.670 13.026 1.00 0.00 C ATOM 355 C ILE A 23 37.341 24.655 13.424 1.00 0.00 C ATOM 356 O ILE A 23 37.108 25.840 13.571 1.00 0.00 O ATOM 357 CB ILE A 23 35.923 22.747 14.195 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.706 21.896 13.825 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.608 23.585 15.438 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.482 20.806 14.873 1.00 0.00 C ATOM 0 H ILE A 23 36.872 21.870 12.072 1.00 0.00 H new ATOM 0 HA ILE A 23 35.344 24.229 12.753 1.00 0.00 H new ATOM 0 HB ILE A 23 36.777 22.104 14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.821 22.528 13.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.855 21.443 12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.382 22.924 16.275 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.470 24.204 15.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.748 24.224 15.238 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.613 20.209 14.597 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.362 20.165 14.925 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.311 21.266 15.846 1.00 0.00 H new ATOM 372 N GLU A 24 38.542 24.175 13.598 1.00 0.00 N ATOM 373 CA GLU A 24 39.665 25.074 13.982 1.00 0.00 C ATOM 374 C GLU A 24 39.784 26.208 12.963 1.00 0.00 C ATOM 375 O GLU A 24 40.175 27.310 13.293 1.00 0.00 O ATOM 376 CB GLU A 24 40.969 24.274 14.007 1.00 0.00 C ATOM 377 CG GLU A 24 41.050 23.389 12.763 1.00 0.00 C ATOM 378 CD GLU A 24 42.426 22.721 12.699 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.958 22.403 13.750 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.924 22.541 11.601 1.00 0.00 O ATOM 0 H GLU A 24 38.794 23.193 13.490 1.00 0.00 H new ATOM 0 HA GLU A 24 39.474 25.493 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.823 24.951 14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.014 23.660 14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.267 22.631 12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.882 23.987 11.867 1.00 0.00 H new ATOM 387 N ASN A 25 39.445 25.951 11.731 1.00 0.00 N ATOM 388 CA ASN A 25 39.532 27.008 10.704 1.00 0.00 C ATOM 389 C ASN A 25 38.537 28.108 11.062 1.00 0.00 C ATOM 390 O ASN A 25 38.820 29.279 10.934 1.00 0.00 O ATOM 391 CB ASN A 25 39.185 26.398 9.347 1.00 0.00 C ATOM 392 CG ASN A 25 40.389 25.624 8.803 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.511 25.858 9.208 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.200 24.704 7.897 1.00 0.00 N ATOM 0 H ASN A 25 39.110 25.047 11.396 1.00 0.00 H new ATOM 0 HA ASN A 25 40.536 27.430 10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.328 25.732 9.446 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.900 27.183 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.994 24.181 7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.258 24.508 7.558 1.00 0.00 H new ATOM 401 N VAL A 26 37.377 27.736 11.528 1.00 0.00 N ATOM 402 CA VAL A 26 36.368 28.758 11.917 1.00 0.00 C ATOM 403 C VAL A 26 36.900 29.531 13.120 1.00 0.00 C ATOM 404 O VAL A 26 37.079 30.733 13.079 1.00 0.00 O ATOM 405 CB VAL A 26 35.065 28.061 12.305 1.00 0.00 C ATOM 406 CG1 VAL A 26 34.005 29.109 12.632 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.585 27.193 11.143 1.00 0.00 C ATOM 0 H VAL A 26 37.085 26.767 11.656 1.00 0.00 H new ATOM 0 HA VAL A 26 36.183 29.437 11.084 1.00 0.00 H new ATOM 0 HB VAL A 26 35.235 27.433 13.179 1.00 0.00 H new ATOM 0 HG11 VAL A 26 33.075 28.612 12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.348 29.726 13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.834 29.738 11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.655 26.696 11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.415 27.819 10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.342 26.444 10.912 1.00 0.00 H new ATOM 417 N LYS A 27 37.162 28.836 14.192 1.00 0.00 N ATOM 418 CA LYS A 27 37.692 29.496 15.414 1.00 0.00 C ATOM 419 C LYS A 27 38.828 30.449 15.036 1.00 0.00 C ATOM 420 O LYS A 27 38.883 31.576 15.488 1.00 0.00 O ATOM 421 CB LYS A 27 38.231 28.412 16.350 1.00 0.00 C ATOM 422 CG LYS A 27 37.095 27.474 16.757 1.00 0.00 C ATOM 423 CD LYS A 27 37.658 26.336 17.613 1.00 0.00 C ATOM 424 CE LYS A 27 36.514 25.513 18.216 1.00 0.00 C ATOM 425 NZ LYS A 27 36.020 26.182 19.451 1.00 0.00 N ATOM 0 H LYS A 27 37.029 27.828 14.272 1.00 0.00 H new ATOM 0 HA LYS A 27 36.901 30.064 15.904 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.021 27.849 15.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.674 28.869 17.235 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.337 28.023 17.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.607 27.070 15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.296 25.695 17.005 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.282 26.744 18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.703 25.413 17.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.859 24.506 18.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.056 25.854 19.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.647 25.948 20.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.012 27.212 19.308 1.00 0.00 H new ATOM 439 N ALA A 28 39.731 30.008 14.206 1.00 0.00 N ATOM 440 CA ALA A 28 40.860 30.887 13.795 1.00 0.00 C ATOM 441 C ALA A 28 40.328 32.014 12.907 1.00 0.00 C ATOM 442 O ALA A 28 40.599 33.177 13.129 1.00 0.00 O ATOM 443 CB ALA A 28 41.885 30.061 13.016 1.00 0.00 C ATOM 0 H ALA A 28 39.736 29.075 13.794 1.00 0.00 H new ATOM 0 HA ALA A 28 41.334 31.315 14.679 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.714 30.701 12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.260 29.257 13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.412 29.636 12.131 1.00 0.00 H new ATOM 449 N LYS A 29 39.575 31.674 11.898 1.00 0.00 N ATOM 450 CA LYS A 29 39.029 32.718 10.990 1.00 0.00 C ATOM 451 C LYS A 29 38.399 33.837 11.821 1.00 0.00 C ATOM 452 O LYS A 29 38.521 35.000 11.496 1.00 0.00 O ATOM 453 CB LYS A 29 37.977 32.093 10.068 1.00 0.00 C ATOM 454 CG LYS A 29 38.676 31.348 8.920 1.00 0.00 C ATOM 455 CD LYS A 29 37.724 30.315 8.324 1.00 0.00 C ATOM 456 CE LYS A 29 38.443 29.531 7.224 1.00 0.00 C ATOM 457 NZ LYS A 29 38.617 30.403 6.027 1.00 0.00 N ATOM 0 H LYS A 29 39.314 30.716 11.664 1.00 0.00 H new ATOM 0 HA LYS A 29 39.833 33.134 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.347 31.405 10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.323 32.868 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.989 32.055 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.577 30.857 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.376 29.635 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.843 30.810 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.414 29.188 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.869 28.643 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.916 29.824 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.715 30.871 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.341 31.123 6.224 1.00 0.00 H new ATOM 471 N ILE A 30 37.735 33.508 12.895 1.00 0.00 N ATOM 472 CA ILE A 30 37.117 34.561 13.737 1.00 0.00 C ATOM 473 C ILE A 30 38.206 35.256 14.563 1.00 0.00 C ATOM 474 O ILE A 30 38.183 36.454 14.755 1.00 0.00 O ATOM 475 CB ILE A 30 36.094 33.904 14.669 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.907 33.404 13.842 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.599 34.922 15.699 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.021 32.507 14.708 1.00 0.00 C ATOM 0 H ILE A 30 37.596 32.552 13.223 1.00 0.00 H new ATOM 0 HA ILE A 30 36.621 35.302 13.111 1.00 0.00 H new ATOM 0 HB ILE A 30 36.564 33.068 15.187 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.330 34.249 13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.263 32.851 12.973 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.872 34.448 16.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.442 35.283 16.288 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.130 35.761 15.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.176 32.152 14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.601 31.655 15.061 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.653 33.075 15.563 1.00 0.00 H new ATOM 490 N GLN A 31 39.153 34.508 15.058 1.00 0.00 N ATOM 491 CA GLN A 31 40.238 35.110 15.878 1.00 0.00 C ATOM 492 C GLN A 31 40.879 36.272 15.117 1.00 0.00 C ATOM 493 O GLN A 31 41.059 37.350 15.648 1.00 0.00 O ATOM 494 CB GLN A 31 41.293 34.035 16.155 1.00 0.00 C ATOM 495 CG GLN A 31 42.512 34.662 16.832 1.00 0.00 C ATOM 496 CD GLN A 31 43.446 33.558 17.333 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.776 33.510 18.501 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.887 32.663 16.493 1.00 0.00 N ATOM 0 H GLN A 31 39.221 33.499 14.928 1.00 0.00 H new ATOM 0 HA GLN A 31 39.829 35.485 16.816 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.873 33.257 16.792 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.591 33.557 15.222 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.039 35.307 16.129 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.195 35.290 17.665 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.610 32.704 15.512 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.509 31.922 16.817 1.00 0.00 H new ATOM 507 N ASP A 32 41.237 36.058 13.886 1.00 0.00 N ATOM 508 CA ASP A 32 41.884 37.146 13.096 1.00 0.00 C ATOM 509 C ASP A 32 40.901 38.298 12.873 1.00 0.00 C ATOM 510 O ASP A 32 41.288 39.450 12.824 1.00 0.00 O ATOM 511 CB ASP A 32 42.333 36.591 11.743 1.00 0.00 C ATOM 512 CG ASP A 32 43.498 35.621 11.949 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.238 34.444 12.127 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.631 36.075 11.925 1.00 0.00 O ATOM 0 H ASP A 32 41.111 35.177 13.388 1.00 0.00 H new ATOM 0 HA ASP A 32 42.746 37.520 13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.503 36.080 11.254 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.637 37.406 11.086 1.00 0.00 H new ATOM 519 N LYS A 33 39.639 38.005 12.720 1.00 0.00 N ATOM 520 CA LYS A 33 38.649 39.091 12.482 1.00 0.00 C ATOM 521 C LYS A 33 38.331 39.841 13.781 1.00 0.00 C ATOM 522 O LYS A 33 38.256 41.053 13.797 1.00 0.00 O ATOM 523 CB LYS A 33 37.376 38.477 11.920 1.00 0.00 C ATOM 524 CG LYS A 33 37.682 37.857 10.558 1.00 0.00 C ATOM 525 CD LYS A 33 36.459 37.091 10.056 1.00 0.00 C ATOM 526 CE LYS A 33 36.769 36.473 8.691 1.00 0.00 C ATOM 527 NZ LYS A 33 35.579 35.719 8.205 1.00 0.00 N ATOM 0 H LYS A 33 39.252 37.062 12.750 1.00 0.00 H new ATOM 0 HA LYS A 33 39.070 39.806 11.775 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.992 37.718 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.602 39.238 11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.953 38.636 9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.537 37.185 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.188 36.311 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.603 37.762 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.034 37.254 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.628 35.807 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.629 35.620 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.563 34.776 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.713 36.234 8.462 1.00 0.00 H new ATOM 541 N GLU A 34 38.127 39.138 14.869 1.00 0.00 N ATOM 542 CA GLU A 34 37.795 39.827 16.156 1.00 0.00 C ATOM 543 C GLU A 34 39.061 40.024 16.994 1.00 0.00 C ATOM 544 O GLU A 34 39.183 40.991 17.719 1.00 0.00 O ATOM 545 CB GLU A 34 36.797 38.975 16.943 1.00 0.00 C ATOM 546 CG GLU A 34 35.576 38.681 16.072 1.00 0.00 C ATOM 547 CD GLU A 34 34.562 37.864 16.873 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.941 36.822 17.384 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.425 38.294 16.967 1.00 0.00 O ATOM 0 H GLU A 34 38.176 38.121 14.922 1.00 0.00 H new ATOM 0 HA GLU A 34 37.360 40.802 15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.267 38.042 17.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.492 39.498 17.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.123 39.614 15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.877 38.133 15.179 1.00 0.00 H new ATOM 556 N GLY A 35 40.004 39.122 16.913 1.00 0.00 N ATOM 557 CA GLY A 35 41.254 39.269 17.720 1.00 0.00 C ATOM 558 C GLY A 35 41.073 38.568 19.067 1.00 0.00 C ATOM 559 O GLY A 35 41.807 38.801 20.006 1.00 0.00 O ATOM 0 H GLY A 35 39.964 38.290 16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.099 38.838 17.184 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.479 40.324 17.874 1.00 0.00 H new ATOM 563 N ILE A 36 40.091 37.714 19.165 1.00 0.00 N ATOM 564 CA ILE A 36 39.830 36.990 20.434 1.00 0.00 C ATOM 565 C ILE A 36 40.576 35.640 20.417 1.00 0.00 C ATOM 566 O ILE A 36 40.555 34.946 19.419 1.00 0.00 O ATOM 567 CB ILE A 36 38.330 36.748 20.521 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.620 38.094 20.402 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.981 36.103 21.859 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.118 37.882 20.495 1.00 0.00 C ATOM 0 H ILE A 36 39.450 37.486 18.405 1.00 0.00 H new ATOM 0 HA ILE A 36 40.175 37.569 21.291 1.00 0.00 H new ATOM 0 HB ILE A 36 38.015 36.080 19.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.953 38.765 21.194 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.873 38.569 19.454 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.906 35.934 21.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.503 35.151 21.951 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.285 36.763 22.671 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.609 38.842 20.410 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.792 37.226 19.688 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.874 37.425 21.454 1.00 0.00 H new ATOM 582 N PRO A 37 41.227 35.253 21.496 1.00 0.00 N ATOM 583 CA PRO A 37 41.964 33.954 21.548 1.00 0.00 C ATOM 584 C PRO A 37 40.998 32.756 21.712 1.00 0.00 C ATOM 585 O PRO A 37 40.250 32.700 22.668 1.00 0.00 O ATOM 586 CB PRO A 37 42.853 34.105 22.791 1.00 0.00 C ATOM 587 CG PRO A 37 42.089 35.019 23.692 1.00 0.00 C ATOM 588 CD PRO A 37 41.339 35.990 22.772 1.00 0.00 C ATOM 0 HA PRO A 37 42.523 33.753 20.634 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.036 33.142 23.267 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.826 34.524 22.534 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.394 34.459 24.318 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.760 35.556 24.363 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.358 36.245 23.174 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.885 36.925 22.647 1.00 0.00 H new ATOM 596 N PRO A 38 40.999 31.807 20.797 1.00 0.00 N ATOM 597 CA PRO A 38 40.101 30.614 20.865 1.00 0.00 C ATOM 598 C PRO A 38 39.925 30.039 22.277 1.00 0.00 C ATOM 599 O PRO A 38 38.888 29.495 22.604 1.00 0.00 O ATOM 600 CB PRO A 38 40.803 29.610 19.968 1.00 0.00 C ATOM 601 CG PRO A 38 41.381 30.456 18.893 1.00 0.00 C ATOM 602 CD PRO A 38 41.840 31.747 19.582 1.00 0.00 C ATOM 0 HA PRO A 38 39.086 30.869 20.561 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.575 29.061 20.507 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.107 28.872 19.569 1.00 0.00 H new ATOM 0 HG2 PRO A 38 42.217 29.954 18.406 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.642 30.666 18.120 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.901 31.715 19.829 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.688 32.618 18.945 1.00 0.00 H new ATOM 610 N ASP A 39 40.924 30.131 23.111 1.00 0.00 N ATOM 611 CA ASP A 39 40.800 29.563 24.487 1.00 0.00 C ATOM 612 C ASP A 39 39.767 30.343 25.302 1.00 0.00 C ATOM 613 O ASP A 39 39.264 29.863 26.299 1.00 0.00 O ATOM 614 CB ASP A 39 42.157 29.636 25.187 1.00 0.00 C ATOM 615 CG ASP A 39 43.116 28.626 24.553 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.644 27.766 23.827 1.00 0.00 O ATOM 617 OD2 ASP A 39 44.306 28.730 24.803 1.00 0.00 O ATOM 0 H ASP A 39 41.819 30.573 22.902 1.00 0.00 H new ATOM 0 HA ASP A 39 40.473 28.526 24.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.566 30.643 25.105 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.041 29.425 26.250 1.00 0.00 H new ATOM 622 N GLN A 40 39.445 31.541 24.898 1.00 0.00 N ATOM 623 CA GLN A 40 38.446 32.346 25.662 1.00 0.00 C ATOM 624 C GLN A 40 37.044 32.114 25.091 1.00 0.00 C ATOM 625 O GLN A 40 36.074 32.651 25.586 1.00 0.00 O ATOM 626 CB GLN A 40 38.805 33.831 25.549 1.00 0.00 C ATOM 627 CG GLN A 40 39.966 34.151 26.494 1.00 0.00 C ATOM 628 CD GLN A 40 39.471 34.122 27.940 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.407 34.626 28.240 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.203 33.549 28.856 1.00 0.00 N ATOM 0 H GLN A 40 39.830 31.999 24.072 1.00 0.00 H new ATOM 0 HA GLN A 40 38.459 32.042 26.709 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.081 34.072 24.522 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.940 34.445 25.799 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.769 33.426 26.359 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.379 35.132 26.260 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.096 33.126 28.604 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.882 33.524 29.824 1.00 0.00 H new ATOM 639 N GLN A 41 36.928 31.334 24.044 1.00 0.00 N ATOM 640 CA GLN A 41 35.590 31.087 23.436 1.00 0.00 C ATOM 641 C GLN A 41 35.466 29.625 22.994 1.00 0.00 C ATOM 642 O GLN A 41 36.381 29.043 22.448 1.00 0.00 O ATOM 643 CB GLN A 41 35.427 31.998 22.221 1.00 0.00 C ATOM 644 CG GLN A 41 36.703 31.964 21.377 1.00 0.00 C ATOM 645 CD GLN A 41 36.506 32.812 20.120 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.119 33.961 20.202 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.758 32.291 18.950 1.00 0.00 N ATOM 0 H GLN A 41 37.705 30.858 23.586 1.00 0.00 H new ATOM 0 HA GLN A 41 34.815 31.296 24.174 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.575 31.674 21.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.220 33.018 22.544 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.545 32.343 21.956 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.942 30.937 21.102 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.083 31.327 18.880 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.630 32.848 18.105 1.00 0.00 H new ATOM 656 N ARG A 42 34.314 29.043 23.215 1.00 0.00 N ATOM 657 CA ARG A 42 34.064 27.628 22.806 1.00 0.00 C ATOM 658 C ARG A 42 32.736 27.610 22.061 1.00 0.00 C ATOM 659 O ARG A 42 31.806 28.296 22.437 1.00 0.00 O ATOM 660 CB ARG A 42 33.975 26.733 24.052 1.00 0.00 C ATOM 661 CG ARG A 42 35.383 26.478 24.626 1.00 0.00 C ATOM 662 CD ARG A 42 36.026 25.268 23.939 1.00 0.00 C ATOM 663 NE ARG A 42 37.488 25.246 24.235 1.00 0.00 N ATOM 664 CZ ARG A 42 38.309 25.982 23.535 1.00 0.00 C ATOM 665 NH1 ARG A 42 39.589 25.956 23.792 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.850 26.743 22.579 1.00 0.00 N ATOM 0 H ARG A 42 33.522 29.498 23.670 1.00 0.00 H new ATOM 0 HA ARG A 42 34.871 27.255 22.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.348 27.208 24.806 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.502 25.785 23.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 36.007 27.360 24.483 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.319 26.304 25.700 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.559 24.347 24.289 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.863 25.319 22.862 1.00 0.00 H new ATOM 0 HE ARG A 42 37.847 24.655 24.985 1.00 0.00 H new ATOM 0 HH11 ARG A 42 39.947 25.361 24.539 1.00 0.00 H new ATOM 0 HH12 ARG A 42 40.231 26.531 23.246 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.850 26.763 22.379 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.491 27.318 22.032 1.00 0.00 H new ATOM 680 N LEU A 43 32.635 26.891 20.977 1.00 0.00 N ATOM 681 CA LEU A 43 31.366 26.916 20.201 1.00 0.00 C ATOM 682 C LEU A 43 30.358 25.894 20.738 1.00 0.00 C ATOM 683 O LEU A 43 30.684 24.779 21.089 1.00 0.00 O ATOM 684 CB LEU A 43 31.674 26.596 18.734 1.00 0.00 C ATOM 685 CG LEU A 43 32.256 27.831 18.041 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.438 28.372 18.846 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.733 27.437 16.646 1.00 0.00 C ATOM 0 H LEU A 43 33.370 26.293 20.599 1.00 0.00 H new ATOM 0 HA LEU A 43 30.925 27.908 20.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.381 25.768 18.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.765 26.277 18.224 1.00 0.00 H new ATOM 0 HG LEU A 43 31.490 28.603 17.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.847 29.250 18.347 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.102 28.646 19.846 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.209 27.605 18.920 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.149 28.310 16.144 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.499 26.666 16.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.892 27.053 16.069 1.00 0.00 H new ATOM 699 N ILE A 44 29.123 26.308 20.766 1.00 0.00 N ATOM 700 CA ILE A 44 28.007 25.432 21.241 1.00 0.00 C ATOM 701 C ILE A 44 26.959 25.345 20.131 1.00 0.00 C ATOM 702 O ILE A 44 26.637 26.334 19.502 1.00 0.00 O ATOM 703 CB ILE A 44 27.372 26.046 22.495 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.415 26.149 23.623 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.188 25.181 22.955 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.030 24.775 23.937 1.00 0.00 C ATOM 0 H ILE A 44 28.830 27.240 20.473 1.00 0.00 H new ATOM 0 HA ILE A 44 28.385 24.439 21.483 1.00 0.00 H new ATOM 0 HB ILE A 44 27.014 27.047 22.256 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.202 26.845 23.332 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.946 26.554 24.520 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.740 25.621 23.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.443 25.132 22.161 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.540 24.175 23.185 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.763 24.879 24.737 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.244 24.088 24.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.519 24.383 23.045 1.00 0.00 H new ATOM 718 N PHE A 45 26.437 24.173 19.864 1.00 0.00 N ATOM 719 CA PHE A 45 25.422 24.028 18.774 1.00 0.00 C ATOM 720 C PHE A 45 24.279 23.122 19.243 1.00 0.00 C ATOM 721 O PHE A 45 24.441 21.930 19.410 1.00 0.00 O ATOM 722 CB PHE A 45 26.099 23.409 17.547 1.00 0.00 C ATOM 723 CG PHE A 45 25.061 23.061 16.508 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.655 24.017 15.572 1.00 0.00 C ATOM 725 CD2 PHE A 45 24.506 21.779 16.486 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.692 23.690 14.611 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.542 21.450 15.526 1.00 0.00 C ATOM 728 CZ PHE A 45 23.136 22.405 14.586 1.00 0.00 C ATOM 0 H PHE A 45 26.670 23.309 20.354 1.00 0.00 H new ATOM 0 HA PHE A 45 25.015 25.006 18.520 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.824 24.108 17.130 1.00 0.00 H new ATOM 0 HB3 PHE A 45 26.650 22.514 17.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.085 25.008 15.591 1.00 0.00 H new ATOM 0 HD2 PHE A 45 24.821 21.042 17.210 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.378 24.429 13.889 1.00 0.00 H new ATOM 0 HE2 PHE A 45 23.111 20.460 15.510 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.395 22.151 13.843 1.00 0.00 H new ATOM 738 N ALA A 46 23.119 23.685 19.438 1.00 0.00 N ATOM 739 CA ALA A 46 21.945 22.875 19.872 1.00 0.00 C ATOM 740 C ALA A 46 22.326 21.936 21.022 1.00 0.00 C ATOM 741 O ALA A 46 22.032 20.756 20.986 1.00 0.00 O ATOM 742 CB ALA A 46 21.439 22.047 18.690 1.00 0.00 C ATOM 0 H ALA A 46 22.932 24.680 19.314 1.00 0.00 H new ATOM 0 HA ALA A 46 21.164 23.551 20.219 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.580 21.453 19.003 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.143 22.713 17.879 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.232 21.384 18.344 1.00 0.00 H new ATOM 748 N GLY A 47 22.947 22.440 22.051 1.00 0.00 N ATOM 749 CA GLY A 47 23.307 21.567 23.205 1.00 0.00 C ATOM 750 C GLY A 47 24.420 20.586 22.824 1.00 0.00 C ATOM 751 O GLY A 47 24.865 19.804 23.640 1.00 0.00 O ATOM 0 H GLY A 47 23.221 23.418 22.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.631 22.182 24.044 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.428 21.014 23.536 1.00 0.00 H new ATOM 755 N LYS A 48 24.870 20.601 21.598 1.00 0.00 N ATOM 756 CA LYS A 48 25.944 19.644 21.193 1.00 0.00 C ATOM 757 C LYS A 48 27.319 20.257 21.458 1.00 0.00 C ATOM 758 O LYS A 48 27.449 21.444 21.683 1.00 0.00 O ATOM 759 CB LYS A 48 25.813 19.321 19.706 1.00 0.00 C ATOM 760 CG LYS A 48 24.392 18.835 19.404 1.00 0.00 C ATOM 761 CD LYS A 48 24.371 18.101 18.060 1.00 0.00 C ATOM 762 CE LYS A 48 22.923 17.823 17.652 1.00 0.00 C ATOM 763 NZ LYS A 48 22.250 19.107 17.307 1.00 0.00 N ATOM 0 H LYS A 48 24.544 21.229 20.863 1.00 0.00 H new ATOM 0 HA LYS A 48 25.839 18.729 21.776 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.039 20.206 19.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 26.536 18.555 19.426 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.048 18.171 20.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.706 19.682 19.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.866 18.703 17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.924 17.165 18.136 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.898 17.146 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.393 17.329 18.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.671 19.423 18.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.968 19.828 17.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.641 18.967 16.476 1.00 0.00 H new ATOM 777 N GLN A 49 28.347 19.443 21.431 1.00 0.00 N ATOM 778 CA GLN A 49 29.734 19.934 21.675 1.00 0.00 C ATOM 779 C GLN A 49 30.615 19.562 20.485 1.00 0.00 C ATOM 780 O GLN A 49 30.762 18.404 20.146 1.00 0.00 O ATOM 781 CB GLN A 49 30.285 19.286 22.938 1.00 0.00 C ATOM 782 CG GLN A 49 29.604 19.892 24.167 1.00 0.00 C ATOM 783 CD GLN A 49 30.178 19.257 25.435 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.369 19.038 25.533 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.375 18.949 26.416 1.00 0.00 N ATOM 0 H GLN A 49 28.279 18.442 21.247 1.00 0.00 H new ATOM 0 HA GLN A 49 29.724 21.017 21.798 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.115 18.210 22.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.363 19.437 22.996 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.758 20.971 24.186 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.528 19.725 24.119 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.375 19.133 26.334 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.747 18.524 27.265 1.00 0.00 H new ATOM 794 N LEU A 50 31.202 20.537 19.842 1.00 0.00 N ATOM 795 CA LEU A 50 32.076 20.250 18.665 1.00 0.00 C ATOM 796 C LEU A 50 33.535 20.171 19.127 1.00 0.00 C ATOM 797 O LEU A 50 34.025 21.038 19.824 1.00 0.00 O ATOM 798 CB LEU A 50 31.911 21.380 17.640 1.00 0.00 C ATOM 799 CG LEU A 50 30.632 21.157 16.820 1.00 0.00 C ATOM 800 CD1 LEU A 50 29.445 20.929 17.761 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.360 22.390 15.953 1.00 0.00 C ATOM 0 H LEU A 50 31.114 21.524 20.082 1.00 0.00 H new ATOM 0 HA LEU A 50 31.795 19.301 18.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 31.863 22.342 18.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.777 21.413 16.979 1.00 0.00 H new ATOM 0 HG LEU A 50 30.763 20.282 16.184 1.00 0.00 H new ATOM 0 HD11 LEU A 50 28.540 20.771 17.174 1.00 0.00 H new ATOM 0 HD12 LEU A 50 29.634 20.051 18.379 1.00 0.00 H new ATOM 0 HD13 LEU A 50 29.315 21.802 18.401 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.452 22.232 15.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.234 23.264 16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 31.200 22.553 15.278 1.00 0.00 H new ATOM 813 N GLU A 51 34.234 19.132 18.746 1.00 0.00 N ATOM 814 CA GLU A 51 35.663 18.985 19.163 1.00 0.00 C ATOM 815 C GLU A 51 36.580 19.560 18.082 1.00 0.00 C ATOM 816 O GLU A 51 36.215 19.653 16.928 1.00 0.00 O ATOM 817 CB GLU A 51 35.981 17.500 19.360 1.00 0.00 C ATOM 818 CG GLU A 51 35.732 16.745 18.051 1.00 0.00 C ATOM 819 CD GLU A 51 35.910 15.244 18.287 1.00 0.00 C ATOM 820 OE1 GLU A 51 36.217 14.872 19.407 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.739 14.491 17.342 1.00 0.00 O ATOM 0 H GLU A 51 33.876 18.376 18.162 1.00 0.00 H new ATOM 0 HA GLU A 51 35.824 19.525 20.096 1.00 0.00 H new ATOM 0 HB2 GLU A 51 37.019 17.378 19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 35.360 17.087 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.725 16.950 17.686 1.00 0.00 H new ATOM 0 HG3 GLU A 51 36.425 17.088 17.283 1.00 0.00 H new ATOM 828 N ASP A 52 37.772 19.946 18.448 1.00 0.00 N ATOM 829 CA ASP A 52 38.716 20.515 17.442 1.00 0.00 C ATOM 830 C ASP A 52 38.934 19.503 16.315 1.00 0.00 C ATOM 831 O ASP A 52 38.805 18.311 16.505 1.00 0.00 O ATOM 832 CB ASP A 52 40.055 20.821 18.117 1.00 0.00 C ATOM 833 CG ASP A 52 40.921 21.660 17.176 1.00 0.00 C ATOM 834 OD1 ASP A 52 41.664 21.073 16.405 1.00 0.00 O ATOM 835 OD2 ASP A 52 40.828 22.875 17.240 1.00 0.00 O ATOM 0 H ASP A 52 38.134 19.892 19.400 1.00 0.00 H new ATOM 0 HA ASP A 52 38.297 21.433 17.030 1.00 0.00 H new ATOM 0 HB2 ASP A 52 39.889 21.358 19.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.568 19.893 18.369 1.00 0.00 H new ATOM 840 N GLY A 53 39.260 19.971 15.141 1.00 0.00 N ATOM 841 CA GLY A 53 39.482 19.034 14.002 1.00 0.00 C ATOM 842 C GLY A 53 38.132 18.564 13.463 1.00 0.00 C ATOM 843 O GLY A 53 37.094 18.959 13.952 1.00 0.00 O ATOM 0 H GLY A 53 39.382 20.959 14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.048 19.530 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.073 18.179 14.330 1.00 0.00 H new ATOM 847 N ARG A 54 38.138 17.730 12.457 1.00 0.00 N ATOM 848 CA ARG A 54 36.857 17.229 11.873 1.00 0.00 C ATOM 849 C ARG A 54 36.255 18.311 10.966 1.00 0.00 C ATOM 850 O ARG A 54 36.537 19.485 11.114 1.00 0.00 O ATOM 851 CB ARG A 54 35.867 16.860 13.000 1.00 0.00 C ATOM 852 CG ARG A 54 34.948 15.703 12.552 1.00 0.00 C ATOM 853 CD ARG A 54 35.636 14.355 12.804 1.00 0.00 C ATOM 854 NE ARG A 54 34.733 13.250 12.375 1.00 0.00 N ATOM 855 CZ ARG A 54 35.138 12.012 12.447 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.347 11.044 12.069 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.333 11.742 12.894 1.00 0.00 N ATOM 0 H ARG A 54 38.982 17.371 12.011 1.00 0.00 H new ATOM 0 HA ARG A 54 37.053 16.334 11.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.417 16.570 13.895 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.265 17.730 13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 54 34.005 15.746 13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.710 15.806 11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.576 14.306 12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 35.880 14.251 13.861 1.00 0.00 H new ATOM 0 HE ARG A 54 33.799 13.462 12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.413 11.256 11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.663 10.076 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.951 12.499 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.650 10.774 12.950 1.00 0.00 H new ATOM 871 N THR A 55 35.436 17.914 10.021 1.00 0.00 N ATOM 872 CA THR A 55 34.808 18.893 9.076 1.00 0.00 C ATOM 873 C THR A 55 33.280 18.831 9.212 1.00 0.00 C ATOM 874 O THR A 55 32.728 17.848 9.662 1.00 0.00 O ATOM 875 CB THR A 55 35.222 18.515 7.649 1.00 0.00 C ATOM 876 OG1 THR A 55 36.612 18.759 7.485 1.00 0.00 O ATOM 877 CG2 THR A 55 34.438 19.346 6.631 1.00 0.00 C ATOM 0 H THR A 55 35.173 16.941 9.862 1.00 0.00 H new ATOM 0 HA THR A 55 35.138 19.906 9.304 1.00 0.00 H new ATOM 0 HB THR A 55 35.007 17.459 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.881 18.517 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.742 19.067 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.371 19.159 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.641 20.405 6.792 1.00 0.00 H new ATOM 885 N LEU A 56 32.593 19.879 8.829 1.00 0.00 N ATOM 886 CA LEU A 56 31.101 19.879 8.944 1.00 0.00 C ATOM 887 C LEU A 56 30.520 18.783 8.045 1.00 0.00 C ATOM 888 O LEU A 56 29.637 18.048 8.441 1.00 0.00 O ATOM 889 CB LEU A 56 30.546 21.238 8.514 1.00 0.00 C ATOM 890 CG LEU A 56 31.266 22.363 9.271 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.773 23.719 8.757 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.976 22.247 10.774 1.00 0.00 C ATOM 0 H LEU A 56 32.999 20.732 8.443 1.00 0.00 H new ATOM 0 HA LEU A 56 30.821 19.689 9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.676 21.370 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.475 21.282 8.713 1.00 0.00 H new ATOM 0 HG LEU A 56 32.340 22.279 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.283 24.519 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.986 23.803 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.698 23.801 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.489 23.048 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.902 22.328 10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 56 31.330 21.283 11.140 1.00 0.00 H new ATOM 904 N SER A 57 31.026 18.646 6.850 1.00 0.00 N ATOM 905 CA SER A 57 30.510 17.570 5.959 1.00 0.00 C ATOM 906 C SER A 57 30.735 16.236 6.673 1.00 0.00 C ATOM 907 O SER A 57 29.843 15.422 6.803 1.00 0.00 O ATOM 908 CB SER A 57 31.271 17.584 4.634 1.00 0.00 C ATOM 909 OG SER A 57 30.993 18.797 3.946 1.00 0.00 O ATOM 0 H SER A 57 31.767 19.226 6.456 1.00 0.00 H new ATOM 0 HA SER A 57 29.451 17.720 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.342 17.492 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.977 16.730 4.023 1.00 0.00 H new ATOM 0 HG SER A 57 31.481 18.810 3.096 1.00 0.00 H new ATOM 915 N ASP A 58 31.934 16.021 7.135 1.00 0.00 N ATOM 916 CA ASP A 58 32.248 14.755 7.853 1.00 0.00 C ATOM 917 C ASP A 58 31.192 14.515 8.938 1.00 0.00 C ATOM 918 O ASP A 58 30.828 13.392 9.223 1.00 0.00 O ATOM 919 CB ASP A 58 33.631 14.861 8.498 1.00 0.00 C ATOM 920 CG ASP A 58 34.707 14.812 7.411 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.372 14.468 6.290 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.847 15.119 7.719 1.00 0.00 O ATOM 0 H ASP A 58 32.715 16.671 7.046 1.00 0.00 H new ATOM 0 HA ASP A 58 32.243 13.924 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.711 15.791 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.777 14.045 9.206 1.00 0.00 H new ATOM 927 N TYR A 59 30.695 15.563 9.546 1.00 0.00 N ATOM 928 CA TYR A 59 29.661 15.385 10.609 1.00 0.00 C ATOM 929 C TYR A 59 28.327 15.006 9.955 1.00 0.00 C ATOM 930 O TYR A 59 27.426 14.519 10.606 1.00 0.00 O ATOM 931 CB TYR A 59 29.498 16.699 11.402 1.00 0.00 C ATOM 932 CG TYR A 59 30.476 16.739 12.562 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.467 17.728 12.618 1.00 0.00 C ATOM 934 CD2 TYR A 59 30.380 15.787 13.585 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.359 17.763 13.695 1.00 0.00 C ATOM 936 CE2 TYR A 59 31.274 15.823 14.662 1.00 0.00 C ATOM 937 CZ TYR A 59 32.263 16.810 14.717 1.00 0.00 C ATOM 938 OH TYR A 59 33.145 16.846 15.779 1.00 0.00 O ATOM 0 H TYR A 59 30.959 16.529 9.353 1.00 0.00 H new ATOM 0 HA TYR A 59 29.971 14.594 11.292 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.668 17.552 10.745 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.477 16.782 11.775 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.542 18.463 11.830 1.00 0.00 H new ATOM 0 HD2 TYR A 59 29.616 15.025 13.543 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.122 18.526 13.739 1.00 0.00 H new ATOM 0 HE2 TYR A 59 31.200 15.088 15.450 1.00 0.00 H new ATOM 0 HH TYR A 59 32.940 16.116 16.400 1.00 0.00 H new ATOM 948 N ASN A 60 28.195 15.224 8.675 1.00 0.00 N ATOM 949 CA ASN A 60 26.921 14.872 7.984 1.00 0.00 C ATOM 950 C ASN A 60 25.754 15.614 8.640 1.00 0.00 C ATOM 951 O ASN A 60 24.854 15.010 9.190 1.00 0.00 O ATOM 952 CB ASN A 60 26.685 13.360 8.078 1.00 0.00 C ATOM 953 CG ASN A 60 25.615 12.945 7.067 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.450 12.859 7.400 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.962 12.684 5.836 1.00 0.00 N ATOM 0 H ASN A 60 28.914 15.631 8.077 1.00 0.00 H new ATOM 0 HA ASN A 60 26.989 15.164 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.613 12.824 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.370 13.093 9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.255 12.408 5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.940 12.756 5.556 1.00 0.00 H new ATOM 962 N ILE A 61 25.759 16.918 8.586 1.00 0.00 N ATOM 963 CA ILE A 61 24.647 17.692 9.207 1.00 0.00 C ATOM 964 C ILE A 61 23.327 17.293 8.545 1.00 0.00 C ATOM 965 O ILE A 61 23.232 17.190 7.337 1.00 0.00 O ATOM 966 CB ILE A 61 24.889 19.188 9.005 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.208 19.584 9.674 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.743 19.982 9.633 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.575 21.014 9.271 1.00 0.00 C ATOM 0 H ILE A 61 26.484 17.480 8.140 1.00 0.00 H new ATOM 0 HA ILE A 61 24.602 17.476 10.274 1.00 0.00 H new ATOM 0 HB ILE A 61 24.939 19.406 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.114 19.513 10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 27.000 18.896 9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.917 21.048 9.488 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.803 19.700 9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.691 19.764 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.514 21.297 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.686 21.070 8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.787 21.696 9.590 1.00 0.00 H new ATOM 1066 N LEU A 67 22.594 27.944 8.527 1.00 0.00 N ATOM 1067 CA LEU A 67 22.358 27.621 9.961 1.00 0.00 C ATOM 1068 C LEU A 67 23.016 28.698 10.840 1.00 0.00 C ATOM 1069 O LEU A 67 23.926 29.384 10.422 1.00 0.00 O ATOM 1070 CB LEU A 67 22.963 26.225 10.267 1.00 0.00 C ATOM 1071 CG LEU A 67 21.947 25.338 11.005 1.00 0.00 C ATOM 1072 CD1 LEU A 67 22.533 23.933 11.173 1.00 0.00 C ATOM 1073 CD2 LEU A 67 21.635 25.937 12.385 1.00 0.00 C ATOM 0 HA LEU A 67 21.289 27.602 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.265 25.743 9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.861 26.338 10.874 1.00 0.00 H new ATOM 0 HG LEU A 67 21.025 25.284 10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.816 23.300 11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.745 23.508 10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.456 23.990 11.751 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.914 25.303 12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.552 25.997 12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.217 26.936 12.262 1.00 0.00 H new ATOM 1085 N HIS A 68 22.559 28.833 12.060 1.00 0.00 N ATOM 1086 CA HIS A 68 23.141 29.844 12.999 1.00 0.00 C ATOM 1087 C HIS A 68 23.896 29.100 14.101 1.00 0.00 C ATOM 1088 O HIS A 68 23.560 27.981 14.432 1.00 0.00 O ATOM 1089 CB HIS A 68 22.011 30.666 13.626 1.00 0.00 C ATOM 1090 CG HIS A 68 21.270 31.404 12.544 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.349 30.776 11.716 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.297 32.719 12.146 1.00 0.00 C ATOM 1093 CE1 HIS A 68 19.868 31.704 10.868 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.413 32.901 11.090 1.00 0.00 N ATOM 0 H HIS A 68 21.797 28.279 12.451 1.00 0.00 H new ATOM 0 HA HIS A 68 23.816 30.511 12.462 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.328 30.012 14.168 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.418 31.372 14.350 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.910 33.491 12.586 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.132 31.504 10.103 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.221 33.769 10.589 1.00 0.00 H new ATOM 1103 N LEU A 69 24.900 29.711 14.685 1.00 0.00 N ATOM 1104 CA LEU A 69 25.673 29.040 15.782 1.00 0.00 C ATOM 1105 C LEU A 69 25.657 29.954 17.010 1.00 0.00 C ATOM 1106 O LEU A 69 25.403 31.137 16.899 1.00 0.00 O ATOM 1107 CB LEU A 69 27.125 28.833 15.336 1.00 0.00 C ATOM 1108 CG LEU A 69 27.165 28.163 13.959 1.00 0.00 C ATOM 1109 CD1 LEU A 69 28.611 28.113 13.461 1.00 0.00 C ATOM 1110 CD2 LEU A 69 26.612 26.735 14.058 1.00 0.00 C ATOM 0 H LEU A 69 25.220 30.650 14.448 1.00 0.00 H new ATOM 0 HA LEU A 69 25.225 28.074 16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.641 29.792 15.297 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.652 28.216 16.064 1.00 0.00 H new ATOM 0 HG LEU A 69 26.555 28.738 13.262 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.642 27.637 12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.005 29.127 13.384 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.218 27.540 14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 69 26.643 26.264 13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 69 27.218 26.158 14.757 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.582 26.768 14.412 1.00 0.00 H new ATOM 1122 N VAL A 70 25.934 29.425 18.180 1.00 0.00 N ATOM 1123 CA VAL A 70 25.945 30.270 19.420 1.00 0.00 C ATOM 1124 C VAL A 70 27.271 30.056 20.158 1.00 0.00 C ATOM 1125 O VAL A 70 27.539 29.000 20.695 1.00 0.00 O ATOM 1126 CB VAL A 70 24.762 29.891 20.328 1.00 0.00 C ATOM 1127 CG1 VAL A 70 23.479 30.537 19.799 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.579 28.369 20.353 1.00 0.00 C ATOM 0 H VAL A 70 26.154 28.440 18.330 1.00 0.00 H new ATOM 0 HA VAL A 70 25.846 31.321 19.148 1.00 0.00 H new ATOM 0 HB VAL A 70 24.969 30.247 21.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 22.643 30.267 20.444 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.595 31.621 19.790 1.00 0.00 H new ATOM 0 HG13 VAL A 70 23.285 30.184 18.786 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.739 28.114 20.999 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.382 28.010 19.343 1.00 0.00 H new ATOM 0 HG23 VAL A 70 25.486 27.900 20.735 1.00 0.00 H new ATOM 1138 N LEU A 71 28.106 31.059 20.170 1.00 0.00 N ATOM 1139 CA LEU A 71 29.428 30.939 20.853 1.00 0.00 C ATOM 1140 C LEU A 71 29.260 31.205 22.350 1.00 0.00 C ATOM 1141 O LEU A 71 28.431 31.993 22.759 1.00 0.00 O ATOM 1142 CB LEU A 71 30.399 31.968 20.255 1.00 0.00 C ATOM 1143 CG LEU A 71 30.951 31.456 18.921 1.00 0.00 C ATOM 1144 CD1 LEU A 71 29.798 30.990 18.025 1.00 0.00 C ATOM 1145 CD2 LEU A 71 31.710 32.585 18.222 1.00 0.00 C ATOM 0 H LEU A 71 27.929 31.963 19.733 1.00 0.00 H new ATOM 0 HA LEU A 71 29.823 29.933 20.710 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.887 32.919 20.105 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.218 32.153 20.950 1.00 0.00 H new ATOM 0 HG LEU A 71 31.623 30.618 19.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.197 30.627 17.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.254 30.187 18.521 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.122 31.825 17.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.105 32.225 17.272 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.034 33.420 18.041 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.534 32.916 18.855 1.00 0.00 H new ATOM 1157 N ARG A 72 30.051 30.559 23.172 1.00 0.00 N ATOM 1158 CA ARG A 72 29.960 30.772 24.650 1.00 0.00 C ATOM 1159 C ARG A 72 31.148 31.621 25.101 1.00 0.00 C ATOM 1160 O ARG A 72 32.239 31.503 24.576 1.00 0.00 O ATOM 1161 CB ARG A 72 30.015 29.417 25.360 1.00 0.00 C ATOM 1162 CG ARG A 72 29.652 29.598 26.834 1.00 0.00 C ATOM 1163 CD ARG A 72 29.700 28.243 27.541 1.00 0.00 C ATOM 1164 NE ARG A 72 28.669 27.338 26.958 1.00 0.00 N ATOM 1165 CZ ARG A 72 28.645 26.076 27.290 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.744 25.283 26.779 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.523 25.607 28.136 1.00 0.00 N ATOM 0 H ARG A 72 30.761 29.888 22.879 1.00 0.00 H new ATOM 0 HA ARG A 72 29.025 31.277 24.895 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.324 28.719 24.888 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.013 28.988 25.270 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.346 30.292 27.308 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.656 30.032 26.924 1.00 0.00 H new ATOM 0 HD2 ARG A 72 30.690 27.800 27.433 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.523 28.372 28.609 1.00 0.00 H new ATOM 0 HE ARG A 72 27.982 27.705 26.299 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.058 25.649 26.119 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.726 24.297 27.039 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.227 26.227 28.537 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.505 24.621 28.396 1.00 0.00 H new ATOM 1181 N LEU A 73 30.955 32.477 26.069 1.00 0.00 N ATOM 1182 CA LEU A 73 32.083 33.327 26.544 1.00 0.00 C ATOM 1183 C LEU A 73 32.953 32.525 27.512 1.00 0.00 C ATOM 1184 O LEU A 73 32.475 31.980 28.487 1.00 0.00 O ATOM 1185 CB LEU A 73 31.529 34.559 27.266 1.00 0.00 C ATOM 1186 CG LEU A 73 30.499 35.265 26.380 1.00 0.00 C ATOM 1187 CD1 LEU A 73 29.885 36.433 27.154 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.179 35.792 25.107 1.00 0.00 C ATOM 0 H LEU A 73 30.067 32.623 26.550 1.00 0.00 H new ATOM 0 HA LEU A 73 32.681 33.643 25.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.068 34.262 28.208 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.341 35.244 27.510 1.00 0.00 H new ATOM 0 HG LEU A 73 29.718 34.559 26.100 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.151 36.939 26.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.397 36.057 28.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.669 37.136 27.434 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.441 36.293 24.481 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.963 36.498 25.379 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.616 34.959 24.556 1.00 0.00 H new