USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.506 (180deg=0.117) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0553) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 36:sc= 1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 25 ASN : amide:sc= -0.0896 X(o=-0.09,f=0.34) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0.253 (180deg=0.0376) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0733) USER MOD Single : A 31 GLN : amide:sc= -2.11 K(o=-2.1,f=-3.6) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0122 (180deg=-0.141) USER MOD Single : A 40 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -11:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.92! USER MOD Single : A 60 ASN : amide:sc= -3.21! K(o=-3.2!,f=-0.96) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 0.0358 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.852 24.760 2.847 1.00 49.53 N ATOM 2 CA MET A 1 25.768 25.721 3.117 1.00 50.07 C ATOM 3 C MET A 1 26.336 27.018 3.741 1.00 50.51 C ATOM 4 O MET A 1 27.419 26.971 4.326 1.00 49.49 O ATOM 5 CB MET A 1 24.725 25.098 4.042 1.00 49.82 C ATOM 6 CG MET A 1 24.048 23.855 3.482 1.00 49.86 C ATOM 7 SD MET A 1 22.882 24.236 2.160 1.00 49.91 S ATOM 8 CE MET A 1 22.601 22.606 1.476 1.00 49.78 C ATOM 0 H1 MET A 1 26.500 24.007 2.222 1.00 49.53 H new ATOM 0 H2 MET A 1 27.644 25.251 2.386 1.00 49.53 H new ATOM 0 H3 MET A 1 27.177 24.343 3.743 1.00 49.53 H new ATOM 0 HA MET A 1 25.288 25.975 2.172 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.203 24.841 4.987 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.962 25.844 4.263 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.808 23.171 3.105 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.524 23.338 4.286 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.898 22.676 0.646 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.545 22.194 1.119 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.188 21.954 2.246 1.00 49.78 H new ATOM 18 N GLN A 2 25.578 28.063 3.583 1.00 49.53 N ATOM 19 CA GLN A 2 26.006 29.367 4.179 1.00 50.07 C ATOM 20 C GLN A 2 25.486 29.541 5.599 1.00 50.51 C ATOM 21 O GLN A 2 24.306 29.246 5.934 1.00 49.49 O ATOM 22 CB GLN A 2 25.527 30.532 3.310 1.00 49.82 C ATOM 23 CG GLN A 2 25.985 30.460 1.863 1.00 49.82 C ATOM 24 CD GLN A 2 25.481 31.628 1.037 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.308 31.675 0.655 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.366 32.577 0.753 1.00 49.38 N ATOM 0 H GLN A 2 24.693 28.078 3.076 1.00 49.53 H new ATOM 0 HA GLN A 2 27.095 29.362 4.218 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.438 30.564 3.333 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.883 31.466 3.746 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.074 30.439 1.830 1.00 49.82 H new ATOM 0 HG3 GLN A 2 25.635 29.528 1.420 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.325 32.497 1.090 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.086 33.386 0.198 1.00 49.38 H new ATOM 35 N ILE A 3 26.381 29.969 6.475 1.00 49.53 N ATOM 36 CA ILE A 3 25.983 30.321 7.853 1.00 50.07 C ATOM 37 C ILE A 3 26.658 31.662 8.266 1.00 50.51 C ATOM 38 O ILE A 3 27.701 31.934 7.696 1.00 49.49 O ATOM 39 CB ILE A 3 26.372 29.222 8.857 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.895 29.106 8.961 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.760 27.890 8.452 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.362 28.061 9.948 1.00 49.73 C ATOM 0 H ILE A 3 27.374 30.084 6.274 1.00 49.53 H new ATOM 0 HA ILE A 3 24.898 30.425 7.870 1.00 50.07 H new ATOM 0 HB ILE A 3 25.981 29.495 9.837 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.300 28.869 7.977 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.305 30.074 9.250 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.045 27.124 9.173 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.674 27.980 8.429 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.121 27.609 7.463 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.452 28.038 9.965 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.988 28.307 10.942 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.983 27.083 9.649 1.00 49.73 H new ATOM 54 N PHE A 4 25.961 32.354 9.135 1.00 49.53 N ATOM 55 CA PHE A 4 26.543 33.668 9.604 1.00 50.07 C ATOM 56 C PHE A 4 26.869 33.614 11.071 1.00 50.51 C ATOM 57 O PHE A 4 26.104 32.940 11.777 1.00 49.49 O ATOM 58 CB PHE A 4 25.571 34.815 9.322 1.00 49.82 C ATOM 59 CG PHE A 4 25.185 34.940 7.875 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.079 35.447 6.945 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.926 34.548 7.442 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.725 35.563 5.615 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.570 34.662 6.112 1.00 49.88 C ATOM 64 CZ PHE A 4 24.469 35.170 5.198 1.00 49.88 C ATOM 0 H PHE A 4 25.058 32.091 9.529 1.00 49.53 H new ATOM 0 HA PHE A 4 27.466 33.846 9.052 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.670 34.670 9.918 1.00 49.82 H new ATOM 0 HB3 PHE A 4 26.023 35.751 9.650 1.00 49.82 H new ATOM 0 HD1 PHE A 4 27.064 35.755 7.264 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.217 34.150 8.152 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.431 35.961 4.901 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.587 34.353 5.788 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.191 35.260 4.158 1.00 49.88 H new ATOM 74 N VAL A 5 27.893 34.300 11.567 1.00 49.53 N ATOM 75 CA VAL A 5 28.177 34.337 12.987 1.00 50.07 C ATOM 76 C VAL A 5 28.113 35.803 13.483 1.00 50.51 C ATOM 77 O VAL A 5 28.880 36.560 12.874 1.00 49.49 O ATOM 78 CB VAL A 5 29.561 33.746 13.311 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.814 33.769 14.811 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.674 32.327 12.775 1.00 49.73 C ATOM 0 H VAL A 5 28.542 34.841 10.996 1.00 49.53 H new ATOM 0 HA VAL A 5 27.428 33.730 13.496 1.00 50.07 H new ATOM 0 HB VAL A 5 30.319 34.360 12.824 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.797 33.347 15.021 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.776 34.797 15.171 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.050 33.179 15.318 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.659 31.925 13.013 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.907 31.703 13.233 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.537 32.335 11.694 1.00 49.73 H new ATOM 90 N LYS A 6 27.263 36.076 14.410 1.00 49.53 N ATOM 91 CA LYS A 6 27.112 37.484 14.913 1.00 50.07 C ATOM 92 C LYS A 6 27.996 37.758 16.099 1.00 50.51 C ATOM 93 O LYS A 6 27.907 37.052 17.130 1.00 49.49 O ATOM 94 CB LYS A 6 25.652 37.767 15.273 1.00 49.82 C ATOM 95 CG LYS A 6 25.432 39.071 16.029 1.00 49.82 C ATOM 96 CD LYS A 6 23.982 39.218 16.468 1.00 49.82 C ATOM 97 CE LYS A 6 23.768 40.505 17.250 1.00 50.21 C ATOM 98 NZ LYS A 6 24.421 40.460 18.586 1.00 49.70 N ATOM 0 H LYS A 6 26.653 35.391 14.856 1.00 49.53 H new ATOM 0 HA LYS A 6 27.423 38.150 14.108 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.062 37.788 14.357 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.273 36.943 15.877 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.083 39.102 16.902 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.709 39.913 15.395 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.332 39.210 15.593 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.698 38.365 17.084 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.165 41.346 16.681 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.699 40.680 17.374 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 24.127 41.287 19.144 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 24.139 39.590 19.081 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 25.454 40.472 18.468 1.00 49.70 H new ATOM 112 N THR A 7 28.856 38.797 16.001 1.00 49.53 N ATOM 113 CA THR A 7 29.750 39.124 17.123 1.00 50.07 C ATOM 114 C THR A 7 29.226 40.364 17.851 1.00 50.51 C ATOM 115 O THR A 7 28.153 40.840 17.476 1.00 49.49 O ATOM 116 CB THR A 7 31.192 39.382 16.647 1.00 50.14 C ATOM 117 OG1 THR A 7 31.216 40.527 15.785 1.00 49.34 O ATOM 118 CG2 THR A 7 31.730 38.175 15.894 1.00 49.73 C ATOM 0 H THR A 7 28.946 39.402 15.185 1.00 49.53 H new ATOM 0 HA THR A 7 29.766 38.268 17.798 1.00 50.07 H new ATOM 0 HB THR A 7 31.819 39.562 17.520 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.134 40.691 15.484 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.750 38.376 15.566 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.725 37.305 16.550 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.101 37.978 15.026 1.00 49.73 H new ATOM 126 N LEU A 8 29.985 40.898 18.783 1.00 49.53 N ATOM 127 CA LEU A 8 29.527 42.072 19.562 1.00 50.07 C ATOM 128 C LEU A 8 29.768 43.419 18.911 1.00 50.51 C ATOM 129 O LEU A 8 29.199 44.431 19.364 1.00 49.49 O ATOM 130 CB LEU A 8 30.177 42.050 20.951 1.00 49.82 C ATOM 131 CG LEU A 8 29.814 40.841 21.823 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.427 40.993 23.208 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.301 40.714 21.913 1.00 49.73 C ATOM 0 H LEU A 8 30.914 40.557 19.032 1.00 49.53 H new ATOM 0 HA LEU A 8 28.443 41.972 19.622 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.260 42.077 20.828 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.893 42.959 21.482 1.00 49.82 H new ATOM 0 HG LEU A 8 30.215 39.934 21.371 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.164 40.130 23.819 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.512 41.058 23.121 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.045 41.900 23.677 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.044 39.855 22.533 1.00 49.73 H new ATOM 0 HD22 LEU A 8 27.886 41.619 22.357 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.887 40.577 20.914 1.00 49.73 H new ATOM 145 N THR A 9 30.594 43.462 17.848 1.00 49.53 N ATOM 146 CA THR A 9 30.799 44.819 17.237 1.00 50.07 C ATOM 147 C THR A 9 29.803 45.054 16.144 1.00 50.51 C ATOM 148 O THR A 9 29.487 46.203 15.780 1.00 49.49 O ATOM 149 CB THR A 9 32.222 44.977 16.670 1.00 50.14 C ATOM 150 OG1 THR A 9 32.459 43.971 15.678 1.00 49.34 O ATOM 151 CG2 THR A 9 33.256 44.846 17.779 1.00 49.73 C ATOM 0 H THR A 9 31.088 42.678 17.421 1.00 49.53 H new ATOM 0 HA THR A 9 30.659 45.556 18.028 1.00 50.07 H new ATOM 0 HB THR A 9 32.310 45.966 16.221 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.364 44.074 15.317 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.256 44.960 17.360 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.086 45.619 18.528 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.168 43.864 18.244 1.00 49.73 H new ATOM 159 N GLY A 10 29.298 44.019 15.547 1.00 49.53 N ATOM 160 CA GLY A 10 28.325 44.098 14.480 1.00 49.98 C ATOM 161 C GLY A 10 28.995 43.784 13.175 1.00 50.51 C ATOM 162 O GLY A 10 28.443 44.085 12.094 1.00 49.49 O ATOM 0 H GLY A 10 29.554 43.062 15.790 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.511 43.397 14.662 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.886 45.095 14.446 1.00 49.98 H new ATOM 166 N LYS A 11 30.154 43.181 13.247 1.00 49.53 N ATOM 167 CA LYS A 11 30.870 42.720 12.065 1.00 50.07 C ATOM 168 C LYS A 11 30.604 41.224 11.783 1.00 50.51 C ATOM 169 O LYS A 11 31.391 40.419 12.272 1.00 49.49 O ATOM 170 CB LYS A 11 32.372 42.964 12.223 1.00 49.82 C ATOM 171 CG LYS A 11 32.799 44.411 12.012 1.00 49.82 C ATOM 172 CD LYS A 11 34.254 44.620 12.405 1.00 49.82 C ATOM 173 CE LYS A 11 34.603 46.100 12.468 1.00 50.21 C ATOM 174 NZ LYS A 11 34.621 46.725 11.118 1.00 49.70 N ATOM 0 H LYS A 11 30.637 42.991 14.125 1.00 49.53 H new ATOM 0 HA LYS A 11 30.500 43.292 11.214 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.676 42.650 13.222 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.907 42.333 11.514 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.659 44.685 10.966 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.162 45.070 12.602 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.441 44.159 13.375 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.903 44.122 11.685 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.879 46.617 13.098 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.579 46.223 12.938 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.863 47.733 11.205 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.330 46.249 10.524 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.683 46.631 10.679 1.00 49.70 H new ATOM 188 N THR A 12 29.579 40.947 10.999 1.00 49.53 N ATOM 189 CA THR A 12 29.351 39.534 10.640 1.00 50.07 C ATOM 190 C THR A 12 30.483 38.690 10.055 1.00 50.51 C ATOM 191 O THR A 12 31.069 39.163 9.078 1.00 49.49 O ATOM 192 CB THR A 12 28.157 39.422 9.676 1.00 50.14 C ATOM 193 OG1 THR A 12 26.978 39.934 10.311 1.00 49.34 O ATOM 194 CG2 THR A 12 27.925 37.973 9.278 1.00 49.73 C ATOM 0 H THR A 12 28.921 41.623 10.612 1.00 49.53 H new ATOM 0 HA THR A 12 29.197 39.104 11.630 1.00 50.07 H new ATOM 0 HB THR A 12 28.378 40.002 8.780 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.218 39.864 9.696 1.00 49.34 H new ATOM 0 HG21 THR A 12 27.077 37.914 8.596 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.815 37.584 8.784 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.716 37.380 10.168 1.00 49.73 H new ATOM 202 N ILE A 13 30.703 37.515 10.645 1.00 49.53 N ATOM 203 CA ILE A 13 31.808 36.703 10.054 1.00 50.07 C ATOM 204 C ILE A 13 31.110 35.700 9.178 1.00 50.51 C ATOM 205 O ILE A 13 30.120 35.080 9.613 1.00 49.49 O ATOM 206 CB ILE A 13 32.649 35.983 11.123 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.133 36.979 12.181 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.828 35.268 10.481 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.814 38.199 11.604 1.00 49.73 C ATOM 0 H ILE A 13 30.204 37.121 11.443 1.00 49.53 H new ATOM 0 HA ILE A 13 32.511 37.335 9.511 1.00 50.07 H new ATOM 0 HB ILE A 13 32.022 35.238 11.613 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.282 37.300 12.781 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.825 36.472 12.854 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.412 34.764 11.252 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.461 34.533 9.765 1.00 49.73 H new ATOM 0 HG23 ILE A 13 34.457 35.994 9.966 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.129 38.857 12.414 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.686 37.890 11.028 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.119 38.730 10.954 1.00 49.73 H new ATOM 221 N THR A 14 31.646 35.422 8.011 1.00 49.53 N ATOM 222 CA THR A 14 30.964 34.392 7.173 1.00 50.07 C ATOM 223 C THR A 14 31.646 33.073 6.917 1.00 50.51 C ATOM 224 O THR A 14 32.685 33.022 6.208 1.00 49.49 O ATOM 225 CB THR A 14 30.589 34.987 5.803 1.00 50.14 C ATOM 226 OG1 THR A 14 31.779 35.240 5.046 1.00 49.34 O ATOM 227 CG2 THR A 14 29.819 36.288 5.980 1.00 49.73 C ATOM 0 H THR A 14 32.488 35.844 7.619 1.00 49.53 H new ATOM 0 HA THR A 14 30.116 34.136 7.808 1.00 50.07 H new ATOM 0 HB THR A 14 29.959 34.272 5.274 1.00 50.14 H new ATOM 0 HG1 THR A 14 32.440 34.541 5.233 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.562 36.695 5.002 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.906 36.097 6.545 1.00 49.73 H new ATOM 0 HG23 THR A 14 30.436 37.006 6.520 1.00 49.73 H new ATOM 235 N LEU A 15 31.028 31.962 7.287 1.00 49.53 N ATOM 236 CA LEU A 15 31.612 30.652 7.096 1.00 50.07 C ATOM 237 C LEU A 15 30.714 29.767 6.224 1.00 50.51 C ATOM 238 O LEU A 15 29.514 29.852 6.448 1.00 49.49 O ATOM 239 CB LEU A 15 31.867 29.982 8.452 1.00 49.82 C ATOM 240 CG LEU A 15 32.489 30.890 9.521 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.564 30.153 10.851 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.873 31.332 9.071 1.00 49.73 C ATOM 0 H LEU A 15 30.108 31.948 7.728 1.00 49.53 H new ATOM 0 HA LEU A 15 32.563 30.778 6.579 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.921 29.595 8.832 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.523 29.125 8.299 1.00 49.82 H new ATOM 0 HG LEU A 15 31.866 31.774 9.655 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.007 30.805 11.604 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.560 29.866 11.165 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.179 29.260 10.738 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.314 31.977 9.831 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.506 30.456 8.927 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.793 31.880 8.132 1.00 49.73 H new ATOM 254 N GLU A 16 31.346 28.990 5.377 1.00 49.53 N ATOM 255 CA GLU A 16 30.522 28.007 4.601 1.00 50.07 C ATOM 256 C GLU A 16 30.812 26.658 5.220 1.00 50.51 C ATOM 257 O GLU A 16 31.944 26.424 5.643 1.00 49.49 O ATOM 258 CB GLU A 16 30.887 28.023 3.115 1.00 49.82 C ATOM 259 CG GLU A 16 30.332 29.213 2.344 1.00 49.72 C ATOM 260 CD GLU A 16 30.506 29.030 0.861 1.00 50.62 C ATOM 261 OE1 GLU A 16 30.037 28.046 0.344 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.008 29.929 0.228 1.00 49.24 O ATOM 0 H GLU A 16 32.349 28.989 5.193 1.00 49.53 H new ATOM 0 HA GLU A 16 29.461 28.252 4.649 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.973 28.018 3.020 1.00 49.82 H new ATOM 0 HB3 GLU A 16 30.523 27.105 2.654 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.274 29.339 2.576 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.838 30.124 2.662 1.00 49.72 H new ATOM 269 N VAL A 17 29.732 25.899 5.335 1.00 49.53 N ATOM 270 CA VAL A 17 29.778 24.575 5.946 1.00 50.07 C ATOM 271 C VAL A 17 29.171 23.357 5.234 1.00 50.51 C ATOM 272 O VAL A 17 28.434 23.481 4.228 1.00 49.49 O ATOM 273 CB VAL A 17 29.163 24.630 7.357 1.00 49.91 C ATOM 274 CG1 VAL A 17 29.952 25.579 8.246 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.704 25.056 7.286 1.00 49.73 C ATOM 0 H VAL A 17 28.806 26.178 5.011 1.00 49.53 H new ATOM 0 HA VAL A 17 30.850 24.380 5.902 1.00 50.07 H new ATOM 0 HB VAL A 17 29.210 23.632 7.792 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.503 25.605 9.239 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.983 25.233 8.323 1.00 49.73 H new ATOM 0 HG13 VAL A 17 29.936 26.580 7.814 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.285 25.089 8.292 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.635 26.044 6.831 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.145 24.340 6.684 1.00 49.73 H new ATOM 285 N GLU A 18 29.566 22.223 5.767 1.00 49.53 N ATOM 286 CA GLU A 18 29.053 20.914 5.358 1.00 50.07 C ATOM 287 C GLU A 18 28.428 20.115 6.493 1.00 50.51 C ATOM 288 O GLU A 18 28.831 20.220 7.640 1.00 49.49 O ATOM 289 CB GLU A 18 30.170 20.093 4.708 1.00 49.82 C ATOM 290 CG GLU A 18 30.305 20.294 3.206 1.00 49.72 C ATOM 291 CD GLU A 18 31.301 21.373 2.886 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.402 21.302 3.375 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.001 22.206 2.063 1.00 49.24 O ATOM 0 H GLU A 18 30.264 22.172 6.509 1.00 49.53 H new ATOM 0 HA GLU A 18 28.255 21.113 4.642 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.117 20.350 5.183 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.990 19.036 4.906 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.615 19.360 2.739 1.00 49.72 H new ATOM 0 HG3 GLU A 18 29.335 20.555 2.783 1.00 49.72 H new ATOM 300 N PRO A 19 27.416 19.327 6.181 1.00 49.71 N ATOM 301 CA PRO A 19 26.754 18.469 7.164 1.00 50.02 C ATOM 302 C PRO A 19 27.732 17.561 7.868 1.00 50.51 C ATOM 303 O PRO A 19 27.477 17.065 8.975 1.00 49.49 O ATOM 304 CB PRO A 19 25.749 17.655 6.320 1.00 49.82 C ATOM 305 CG PRO A 19 25.435 18.585 5.194 1.00 49.82 C ATOM 306 CD PRO A 19 26.819 19.179 4.830 1.00 50.00 C ATOM 0 HA PRO A 19 26.278 19.043 7.959 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.183 16.721 5.964 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.858 17.395 6.891 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.988 18.059 4.350 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.731 19.360 5.496 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.400 18.514 4.191 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.736 20.132 4.307 1.00 50.00 H new ATOM 314 N SER A 20 28.855 17.278 7.229 1.00 49.53 N ATOM 315 CA SER A 20 29.838 16.356 7.822 1.00 50.07 C ATOM 316 C SER A 20 30.701 17.078 8.830 1.00 50.51 C ATOM 317 O SER A 20 31.506 16.408 9.499 1.00 49.49 O ATOM 318 CB SER A 20 30.695 15.736 6.736 1.00 50.05 C ATOM 319 OG SER A 20 31.513 16.683 6.105 1.00 49.34 O ATOM 0 H SER A 20 29.115 17.658 6.319 1.00 49.53 H new ATOM 0 HA SER A 20 29.301 15.561 8.339 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.316 14.952 7.169 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.052 15.261 5.995 1.00 50.05 H new ATOM 0 HG SER A 20 32.050 16.243 5.414 1.00 49.34 H new ATOM 325 N ASP A 21 30.638 18.412 8.831 1.00 49.53 N ATOM 326 CA ASP A 21 31.498 19.137 9.803 1.00 50.07 C ATOM 327 C ASP A 21 31.005 19.170 11.226 1.00 50.51 C ATOM 328 O ASP A 21 29.849 19.552 11.492 1.00 49.49 O ATOM 329 CB ASP A 21 31.730 20.571 9.319 1.00 49.72 C ATOM 330 CG ASP A 21 32.816 20.709 8.260 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.615 20.239 7.166 1.00 49.24 O ATOM 332 OD2 ASP A 21 33.765 21.416 8.501 1.00 49.24 O ATOM 0 H ASP A 21 30.053 18.987 8.225 1.00 49.53 H new ATOM 0 HA ASP A 21 32.422 18.560 9.834 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.795 20.962 8.917 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.993 21.193 10.175 1.00 49.72 H new ATOM 337 N THR A 22 31.906 18.899 12.155 1.00 49.53 N ATOM 338 CA THR A 22 31.612 18.980 13.566 1.00 50.07 C ATOM 339 C THR A 22 31.805 20.400 14.146 1.00 50.51 C ATOM 340 O THR A 22 32.759 21.088 13.771 1.00 49.49 O ATOM 341 CB THR A 22 32.475 17.993 14.373 1.00 50.14 C ATOM 342 OG1 THR A 22 33.861 18.327 14.214 1.00 49.34 O ATOM 343 CG2 THR A 22 32.243 16.567 13.897 1.00 49.73 C ATOM 0 H THR A 22 32.863 18.616 11.946 1.00 49.53 H new ATOM 0 HA THR A 22 30.558 18.718 13.659 1.00 50.07 H new ATOM 0 HB THR A 22 32.194 18.063 15.424 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.410 17.700 14.729 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.862 15.884 14.479 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.193 16.306 14.028 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.508 16.488 12.843 1.00 49.73 H new ATOM 351 N ILE A 23 30.845 20.753 15.000 1.00 49.53 N ATOM 352 CA ILE A 23 30.908 22.024 15.718 1.00 50.07 C ATOM 353 C ILE A 23 32.376 22.245 16.090 1.00 50.51 C ATOM 354 O ILE A 23 32.909 23.367 16.041 1.00 49.49 O ATOM 355 CB ILE A 23 30.041 22.017 16.991 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.555 22.000 16.624 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.364 23.222 17.861 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.113 23.195 15.810 1.00 49.73 C ATOM 0 H ILE A 23 30.024 20.185 15.210 1.00 49.53 H new ATOM 0 HA ILE A 23 30.521 22.823 15.085 1.00 50.07 H new ATOM 0 HB ILE A 23 30.266 21.114 17.559 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.339 21.091 16.063 1.00 49.82 H new ATOM 0 HG13 ILE A 23 27.965 21.958 17.539 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.742 23.202 18.756 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.415 23.192 18.148 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.166 24.137 17.303 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.049 23.111 15.589 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.295 24.108 16.376 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.676 23.228 14.877 1.00 49.73 H new ATOM 370 N GLU A 24 33.026 21.201 16.547 1.00 49.53 N ATOM 371 CA GLU A 24 34.488 21.302 16.875 1.00 50.07 C ATOM 372 C GLU A 24 35.153 22.220 15.879 1.00 50.51 C ATOM 373 O GLU A 24 35.717 23.278 16.247 1.00 49.49 O ATOM 374 CB GLU A 24 35.147 19.921 16.853 1.00 49.82 C ATOM 375 CG GLU A 24 36.561 19.890 17.416 1.00 49.72 C ATOM 376 CD GLU A 24 36.565 20.154 18.896 1.00 50.62 C ATOM 377 OE1 GLU A 24 35.510 20.148 19.484 1.00 49.24 O ATOM 378 OE2 GLU A 24 37.630 20.249 19.459 1.00 49.24 O ATOM 0 H GLU A 24 32.610 20.284 16.708 1.00 49.53 H new ATOM 0 HA GLU A 24 34.603 21.709 17.880 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.527 19.227 17.421 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.170 19.559 15.825 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.013 18.918 17.216 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.173 20.636 16.910 1.00 49.72 H new ATOM 385 N ASN A 25 35.089 21.863 14.607 1.00 49.53 N ATOM 386 CA ASN A 25 35.682 22.625 13.501 1.00 50.07 C ATOM 387 C ASN A 25 35.098 23.972 13.079 1.00 50.51 C ATOM 388 O ASN A 25 35.833 24.873 12.624 1.00 49.49 O ATOM 389 CB ASN A 25 35.784 21.747 12.269 1.00 49.82 C ATOM 390 CG ASN A 25 36.388 22.439 11.079 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.742 22.606 10.038 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.648 22.773 11.198 1.00 49.38 N ATOM 0 H ASN A 25 34.613 21.015 14.299 1.00 49.53 H new ATOM 0 HA ASN A 25 36.635 22.912 13.946 1.00 50.07 H new ATOM 0 HB2 ASN A 25 36.383 20.868 12.509 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.788 21.392 12.004 1.00 49.82 H new ATOM 0 HD21 ASN A 25 38.141 23.192 10.410 1.00 49.38 H new ATOM 0 HD22 ASN A 25 38.137 22.614 12.079 1.00 49.38 H new ATOM 399 N VAL A 26 33.785 24.063 13.226 1.00 49.53 N ATOM 400 CA VAL A 26 33.083 25.299 12.894 1.00 50.07 C ATOM 401 C VAL A 26 33.639 26.453 13.723 1.00 50.51 C ATOM 402 O VAL A 26 33.678 27.604 13.275 1.00 49.49 O ATOM 403 CB VAL A 26 31.569 25.178 13.140 1.00 49.91 C ATOM 404 CG1 VAL A 26 30.912 26.550 13.106 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.933 24.260 12.107 1.00 49.73 C ATOM 0 H VAL A 26 33.189 23.309 13.568 1.00 49.53 H new ATOM 0 HA VAL A 26 33.241 25.492 11.833 1.00 50.07 H new ATOM 0 HB VAL A 26 31.415 24.745 14.129 1.00 49.91 H new ATOM 0 HG11 VAL A 26 29.841 26.445 13.282 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.347 27.181 13.881 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.076 27.008 12.131 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.862 24.186 12.296 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.098 24.666 11.109 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.383 23.269 12.175 1.00 49.73 H new ATOM 415 N LYS A 27 34.104 26.129 14.924 1.00 49.53 N ATOM 416 CA LYS A 27 34.660 27.155 15.819 1.00 50.07 C ATOM 417 C LYS A 27 36.067 27.353 15.281 1.00 50.51 C ATOM 418 O LYS A 27 36.622 28.471 15.430 1.00 49.49 O ATOM 419 CB LYS A 27 34.676 26.685 17.275 1.00 49.82 C ATOM 420 CG LYS A 27 33.297 26.547 17.906 1.00 49.82 C ATOM 421 CD LYS A 27 33.340 25.652 19.135 1.00 49.82 C ATOM 422 CE LYS A 27 34.079 26.323 20.283 1.00 50.21 C ATOM 423 NZ LYS A 27 34.086 25.480 21.510 1.00 49.70 N ATOM 0 H LYS A 27 34.111 25.182 15.303 1.00 49.53 H new ATOM 0 HA LYS A 27 34.073 28.074 15.831 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.184 25.722 17.328 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.263 27.389 17.865 1.00 49.82 H new ATOM 0 HG2 LYS A 27 32.921 27.532 18.183 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.600 26.134 17.177 1.00 49.82 H new ATOM 0 HD2 LYS A 27 32.324 25.409 19.446 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.830 24.711 18.885 1.00 49.82 H new ATOM 0 HE2 LYS A 27 35.105 26.532 19.981 1.00 50.21 H new ATOM 0 HE3 LYS A 27 33.611 27.282 20.505 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 34.010 26.089 22.350 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.280 24.823 21.484 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.973 24.938 21.554 1.00 49.70 H new ATOM 437 N ALA A 28 36.670 26.320 14.730 1.00 49.53 N ATOM 438 CA ALA A 28 38.002 26.426 14.123 1.00 50.07 C ATOM 439 C ALA A 28 38.031 27.226 12.833 1.00 50.51 C ATOM 440 O ALA A 28 39.045 27.944 12.536 1.00 49.49 O ATOM 441 CB ALA A 28 38.583 25.019 13.881 1.00 49.73 C ATOM 0 H ALA A 28 36.264 25.386 14.685 1.00 49.53 H new ATOM 0 HA ALA A 28 38.617 26.976 14.835 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.572 25.106 13.430 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.662 24.490 14.831 1.00 49.73 H new ATOM 0 HB3 ALA A 28 37.926 24.465 13.211 1.00 49.73 H new ATOM 447 N LYS A 29 36.977 27.192 12.030 1.00 49.53 N ATOM 448 CA LYS A 29 36.906 28.015 10.806 1.00 50.07 C ATOM 449 C LYS A 29 37.140 29.485 11.202 1.00 50.51 C ATOM 450 O LYS A 29 37.813 30.282 10.504 1.00 49.49 O ATOM 451 CB LYS A 29 35.552 27.851 10.114 1.00 49.82 C ATOM 452 CG LYS A 29 35.348 26.498 9.445 1.00 49.82 C ATOM 453 CD LYS A 29 34.143 26.515 8.517 1.00 49.82 C ATOM 454 CE LYS A 29 33.888 25.142 7.913 1.00 50.21 C ATOM 455 NZ LYS A 29 34.990 24.718 7.009 1.00 49.70 N ATOM 0 H LYS A 29 36.156 26.609 12.193 1.00 49.53 H new ATOM 0 HA LYS A 29 37.670 27.692 10.099 1.00 50.07 H new ATOM 0 HB2 LYS A 29 34.761 28.002 10.849 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.444 28.634 9.363 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.241 26.231 8.880 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.212 25.730 10.207 1.00 49.82 H new ATOM 0 HD2 LYS A 29 33.261 26.841 9.069 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.306 27.240 7.720 1.00 49.82 H new ATOM 0 HE2 LYS A 29 33.773 24.410 8.712 1.00 50.21 H new ATOM 0 HE3 LYS A 29 32.950 25.158 7.358 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 34.724 23.835 6.528 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.163 25.460 6.301 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 35.855 24.562 7.565 1.00 49.70 H new ATOM 469 N ILE A 30 36.634 29.851 12.380 1.00 49.53 N ATOM 470 CA ILE A 30 36.807 31.238 12.847 1.00 50.07 C ATOM 471 C ILE A 30 38.263 31.566 13.205 1.00 50.51 C ATOM 472 O ILE A 30 38.699 32.728 13.029 1.00 49.49 O ATOM 473 CB ILE A 30 35.916 31.533 14.067 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.438 31.398 13.693 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.205 32.922 14.614 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.504 31.406 14.882 1.00 49.73 C ATOM 0 H ILE A 30 36.119 29.238 13.012 1.00 49.53 H new ATOM 0 HA ILE A 30 36.509 31.870 12.011 1.00 50.07 H new ATOM 0 HB ILE A 30 36.142 30.804 14.846 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.166 32.214 13.024 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.297 30.471 13.138 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.566 33.114 15.476 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.250 32.984 14.916 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.006 33.666 13.842 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.475 31.306 14.537 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.748 30.573 15.542 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.615 32.344 15.426 1.00 49.73 H new ATOM 488 N GLN A 31 38.995 30.632 13.757 1.00 49.53 N ATOM 489 CA GLN A 31 40.418 30.948 14.095 1.00 50.07 C ATOM 490 C GLN A 31 41.370 31.191 12.912 1.00 50.51 C ATOM 491 O GLN A 31 42.330 31.994 12.901 1.00 49.49 O ATOM 492 CB GLN A 31 40.998 29.834 14.969 1.00 49.82 C ATOM 493 CG GLN A 31 42.136 30.279 15.872 1.00 49.82 C ATOM 494 CD GLN A 31 43.394 30.618 15.094 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.715 29.969 14.095 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.116 31.634 15.550 1.00 49.38 N ATOM 0 H GLN A 31 38.681 29.688 13.984 1.00 49.53 H new ATOM 0 HA GLN A 31 40.360 31.905 14.614 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.201 29.419 15.586 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.354 29.030 14.325 1.00 49.82 H new ATOM 0 HG2 GLN A 31 41.821 31.151 16.446 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.358 29.488 16.589 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.813 32.143 16.380 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.974 31.906 15.070 1.00 49.38 H new ATOM 505 N ASP A 32 41.123 30.427 11.873 1.00 49.53 N ATOM 506 CA ASP A 32 41.937 30.548 10.642 1.00 50.07 C ATOM 507 C ASP A 32 41.966 31.985 10.167 1.00 50.51 C ATOM 508 O ASP A 32 43.021 32.583 9.851 1.00 49.49 O ATOM 509 CB ASP A 32 41.388 29.638 9.541 1.00 49.72 C ATOM 510 CG ASP A 32 41.640 28.154 9.769 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.247 27.818 10.758 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.092 27.360 9.041 1.00 49.24 O ATOM 0 H ASP A 32 40.386 29.723 11.834 1.00 49.53 H new ATOM 0 HA ASP A 32 42.955 30.236 10.873 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.314 29.802 9.452 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.835 29.928 8.590 1.00 49.72 H new ATOM 517 N LYS A 33 40.787 32.626 10.064 1.00 49.53 N ATOM 518 CA LYS A 33 40.827 34.003 9.501 1.00 50.07 C ATOM 519 C LYS A 33 40.716 35.135 10.459 1.00 50.51 C ATOM 520 O LYS A 33 41.410 36.179 10.201 1.00 49.49 O ATOM 521 CB LYS A 33 39.741 34.150 8.435 1.00 49.82 C ATOM 522 CG LYS A 33 40.211 33.864 7.014 1.00 49.82 C ATOM 523 CD LYS A 33 40.000 32.404 6.645 1.00 49.82 C ATOM 524 CE LYS A 33 40.474 32.115 5.228 1.00 50.21 C ATOM 525 NZ LYS A 33 41.946 32.282 5.090 1.00 49.70 N ATOM 0 H LYS A 33 39.872 32.264 10.332 1.00 49.53 H new ATOM 0 HA LYS A 33 41.836 34.087 9.097 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.919 33.476 8.676 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.344 35.164 8.476 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.669 34.500 6.314 1.00 49.82 H new ATOM 0 HG3 LYS A 33 41.267 34.116 6.921 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.539 31.768 7.347 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.943 32.154 6.735 1.00 49.82 H new ATOM 0 HE2 LYS A 33 40.197 31.097 4.953 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.966 32.783 4.532 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 42.252 31.916 4.166 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 42.189 33.291 5.161 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 42.428 31.756 5.847 1.00 49.70 H new ATOM 539 N GLU A 34 40.049 35.060 11.577 1.00 49.53 N ATOM 540 CA GLU A 34 39.913 36.126 12.542 1.00 50.07 C ATOM 541 C GLU A 34 40.921 36.093 13.664 1.00 50.51 C ATOM 542 O GLU A 34 41.074 37.090 14.376 1.00 49.49 O ATOM 543 CB GLU A 34 38.500 36.123 13.128 1.00 49.82 C ATOM 544 CG GLU A 34 37.388 36.212 12.092 1.00 49.72 C ATOM 545 CD GLU A 34 37.443 37.514 11.343 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.204 38.369 11.729 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.808 37.615 10.320 1.00 49.24 O ATOM 0 H GLU A 34 39.558 34.211 11.858 1.00 49.53 H new ATOM 0 HA GLU A 34 40.108 37.045 11.989 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.364 35.212 13.712 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.405 36.961 13.818 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.474 35.382 11.390 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.421 36.114 12.584 1.00 49.72 H new ATOM 554 N GLY A 35 41.553 34.953 13.886 1.00 49.53 N ATOM 555 CA GLY A 35 42.588 34.816 14.878 1.00 49.98 C ATOM 556 C GLY A 35 41.940 34.677 16.199 1.00 50.51 C ATOM 557 O GLY A 35 42.528 35.088 17.234 1.00 49.49 O ATOM 0 H GLY A 35 41.355 34.093 13.374 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.208 33.945 14.664 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.245 35.686 14.866 1.00 49.98 H new ATOM 561 N ILE A 36 40.776 34.008 16.262 1.00 49.53 N ATOM 562 CA ILE A 36 40.119 33.853 17.568 1.00 50.07 C ATOM 563 C ILE A 36 40.428 32.416 17.949 1.00 50.51 C ATOM 564 O ILE A 36 40.063 31.473 17.224 1.00 49.49 O ATOM 565 CB ILE A 36 38.597 34.074 17.497 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.281 35.394 16.788 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.990 34.056 18.891 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.864 36.609 17.473 1.00 49.73 C ATOM 0 H ILE A 36 40.292 33.586 15.469 1.00 49.53 H new ATOM 0 HA ILE A 36 40.476 34.589 18.289 1.00 50.07 H new ATOM 0 HB ILE A 36 38.156 33.260 16.921 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.660 35.347 15.767 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.199 35.510 16.721 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.914 34.214 18.821 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.186 33.092 19.361 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.435 34.849 19.492 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.598 37.505 16.913 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.466 36.682 18.485 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.949 36.517 17.516 1.00 49.73 H new ATOM 580 N PRO A 37 41.076 32.220 19.092 1.00 49.71 N ATOM 581 CA PRO A 37 41.413 30.884 19.610 1.00 50.02 C ATOM 582 C PRO A 37 40.166 30.033 19.767 1.00 50.51 C ATOM 583 O PRO A 37 39.155 30.553 20.309 1.00 49.49 O ATOM 584 CB PRO A 37 41.981 31.255 21.014 1.00 49.82 C ATOM 585 CG PRO A 37 42.604 32.602 20.792 1.00 49.82 C ATOM 586 CD PRO A 37 41.530 33.325 19.989 1.00 50.00 C ATOM 0 HA PRO A 37 42.085 30.311 18.971 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.195 31.295 21.768 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.714 30.525 21.357 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.821 33.110 21.732 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.543 32.531 20.244 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.726 33.705 20.619 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.928 34.174 19.433 1.00 50.00 H new ATOM 594 N PRO A 38 40.201 28.782 19.381 1.00 49.71 N ATOM 595 CA PRO A 38 39.010 27.926 19.501 1.00 50.02 C ATOM 596 C PRO A 38 38.477 27.833 20.906 1.00 50.51 C ATOM 597 O PRO A 38 37.247 27.697 21.145 1.00 49.49 O ATOM 598 CB PRO A 38 39.459 26.599 18.896 1.00 49.82 C ATOM 599 CG PRO A 38 40.524 27.024 17.888 1.00 49.82 C ATOM 600 CD PRO A 38 41.314 28.064 18.711 1.00 50.00 C ATOM 0 HA PRO A 38 38.145 28.330 18.975 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.865 25.927 19.653 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.633 26.075 18.414 1.00 49.82 H new ATOM 0 HG2 PRO A 38 41.149 26.189 17.572 1.00 49.82 H new ATOM 0 HG3 PRO A 38 40.089 27.456 16.987 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.995 27.598 19.423 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.913 28.723 18.082 1.00 50.00 H new ATOM 608 N ASP A 39 39.334 27.901 21.895 1.00 49.53 N ATOM 609 CA ASP A 39 38.890 27.761 23.309 1.00 50.07 C ATOM 610 C ASP A 39 38.325 29.021 23.949 1.00 50.51 C ATOM 611 O ASP A 39 37.784 29.023 25.091 1.00 49.49 O ATOM 612 CB ASP A 39 40.045 27.236 24.165 1.00 49.72 C ATOM 613 CG ASP A 39 40.388 25.771 23.930 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.720 25.144 23.142 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.403 25.333 24.416 1.00 49.24 O ATOM 0 H ASP A 39 40.336 28.050 21.776 1.00 49.53 H new ATOM 0 HA ASP A 39 38.060 27.056 23.273 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.931 27.840 23.968 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.793 27.373 25.217 1.00 49.72 H new ATOM 620 N GLN A 40 38.333 30.117 23.209 1.00 49.53 N ATOM 621 CA GLN A 40 37.772 31.377 23.755 1.00 50.07 C ATOM 622 C GLN A 40 36.370 31.590 23.154 1.00 50.51 C ATOM 623 O GLN A 40 35.750 32.606 23.443 1.00 49.49 O ATOM 624 CB GLN A 40 38.676 32.567 23.419 1.00 49.82 C ATOM 625 CG GLN A 40 39.959 32.621 24.231 1.00 49.82 C ATOM 626 CD GLN A 40 40.860 33.768 23.815 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.523 34.545 22.918 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.013 33.879 24.463 1.00 49.38 N ATOM 0 H GLN A 40 38.703 30.179 22.261 1.00 49.53 H new ATOM 0 HA GLN A 40 37.707 31.304 24.841 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.931 32.528 22.360 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.118 33.490 23.579 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.713 32.721 25.288 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.497 31.680 24.117 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.251 33.213 25.198 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.661 34.630 24.226 1.00 49.38 H new ATOM 637 N GLN A 41 35.864 30.626 22.417 1.00 49.53 N ATOM 638 CA GLN A 41 34.585 30.716 21.755 1.00 50.07 C ATOM 639 C GLN A 41 33.582 29.762 22.370 1.00 50.51 C ATOM 640 O GLN A 41 33.706 28.547 22.388 1.00 49.49 O ATOM 641 CB GLN A 41 34.734 30.413 20.240 1.00 49.82 C ATOM 642 CG GLN A 41 35.819 31.272 19.550 1.00 49.82 C ATOM 643 CD GLN A 41 35.903 30.925 18.090 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.889 30.493 17.515 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.039 31.069 17.443 1.00 49.38 N ATOM 0 H GLN A 41 36.342 29.739 22.259 1.00 49.53 H new ATOM 0 HA GLN A 41 34.218 31.734 21.883 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.977 29.359 20.109 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.777 30.583 19.746 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.585 32.330 19.667 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.784 31.104 20.028 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.862 31.425 17.930 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.097 30.825 16.454 1.00 49.38 H new ATOM 654 N ARG A 42 32.431 30.326 22.730 1.00 49.53 N ATOM 655 CA ARG A 42 31.271 29.500 23.192 1.00 50.07 C ATOM 656 C ARG A 42 30.191 29.871 22.200 1.00 50.51 C ATOM 657 O ARG A 42 30.131 31.116 21.843 1.00 49.49 O ATOM 658 CB ARG A 42 30.873 29.767 24.636 1.00 49.82 C ATOM 659 CG ARG A 42 31.922 29.389 25.669 1.00 49.82 C ATOM 660 CD ARG A 42 32.254 27.942 25.704 1.00 50.20 C ATOM 661 NE ARG A 42 31.126 27.072 25.995 1.00 49.30 N ATOM 662 CZ ARG A 42 30.686 26.777 27.235 1.00 50.64 C ATOM 663 NH1 ARG A 42 31.297 27.248 28.299 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.638 25.981 27.352 1.00 49.20 N ATOM 0 H ARG A 42 32.258 31.331 22.719 1.00 49.53 H new ATOM 0 HA ARG A 42 31.491 28.433 23.209 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.643 30.827 24.744 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.956 29.218 24.852 1.00 49.82 H new ATOM 0 HG2 ARG A 42 32.832 29.954 25.468 1.00 49.82 H new ATOM 0 HG3 ARG A 42 31.570 29.693 26.655 1.00 49.82 H new ATOM 0 HD2 ARG A 42 32.678 27.656 24.742 1.00 50.20 H new ATOM 0 HD3 ARG A 42 33.027 27.777 26.455 1.00 50.20 H new ATOM 0 HE ARG A 42 30.633 26.655 25.205 1.00 49.30 H new ATOM 0 HH11 ARG A 42 32.117 27.846 28.194 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.952 27.016 29.230 1.00 49.20 H new ATOM 0 HH21 ARG A 42 29.185 25.608 26.518 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.282 25.739 28.277 1.00 49.20 H new ATOM 678 N LEU A 43 29.419 28.917 21.684 1.00 49.53 N ATOM 679 CA LEU A 43 28.384 29.233 20.667 1.00 50.07 C ATOM 680 C LEU A 43 26.959 28.953 21.130 1.00 50.51 C ATOM 681 O LEU A 43 26.751 27.988 21.877 1.00 49.49 O ATOM 682 CB LEU A 43 28.674 28.461 19.374 1.00 49.82 C ATOM 683 CG LEU A 43 30.000 28.812 18.687 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.209 27.921 17.469 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.993 30.280 18.287 1.00 49.73 C ATOM 0 H LEU A 43 29.478 27.931 21.939 1.00 49.53 H new ATOM 0 HA LEU A 43 28.442 30.307 20.493 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.671 27.394 19.598 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.860 28.642 18.672 1.00 49.82 H new ATOM 0 HG LEU A 43 30.824 28.642 19.379 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.153 28.178 16.988 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.233 26.877 17.782 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.391 28.070 16.765 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.935 30.529 17.799 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.168 30.466 17.599 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.870 30.899 19.176 1.00 49.73 H new ATOM 697 N ILE A 44 26.084 29.935 20.938 1.00 49.53 N ATOM 698 CA ILE A 44 24.693 29.853 21.368 1.00 50.07 C ATOM 699 C ILE A 44 23.709 29.875 20.203 1.00 50.51 C ATOM 700 O ILE A 44 23.699 30.766 19.379 1.00 49.49 O ATOM 701 CB ILE A 44 24.340 30.996 22.337 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.104 30.835 23.654 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.841 31.037 22.588 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.187 32.104 24.470 1.00 49.73 C ATOM 0 H ILE A 44 26.321 30.814 20.478 1.00 49.53 H new ATOM 0 HA ILE A 44 24.599 28.893 21.875 1.00 50.07 H new ATOM 0 HB ILE A 44 24.637 31.941 21.881 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.621 30.061 24.251 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.114 30.487 23.437 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.609 31.851 23.275 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.318 31.198 21.645 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.519 30.091 23.024 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.742 31.911 25.388 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.697 32.875 23.893 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.181 32.443 24.719 1.00 49.73 H new ATOM 716 N PHE A 45 22.833 28.836 20.184 1.00 49.53 N ATOM 717 CA PHE A 45 21.784 28.732 19.158 1.00 50.07 C ATOM 718 C PHE A 45 20.515 28.146 19.804 1.00 50.51 C ATOM 719 O PHE A 45 20.537 27.120 20.485 1.00 49.49 O ATOM 720 CB PHE A 45 22.248 27.856 17.993 1.00 49.82 C ATOM 721 CG PHE A 45 21.184 27.604 16.963 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.873 28.568 16.016 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.492 26.403 16.940 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.893 28.337 15.067 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.514 26.168 15.993 1.00 49.88 C ATOM 726 CZ PHE A 45 19.214 27.137 15.056 1.00 49.88 C ATOM 0 H PHE A 45 22.838 28.073 20.861 1.00 49.53 H new ATOM 0 HA PHE A 45 21.568 29.723 18.759 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.102 28.331 17.511 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.595 26.900 18.385 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.402 29.510 16.019 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.720 25.642 17.671 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.660 29.096 14.335 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.984 25.227 15.985 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.449 26.955 14.316 1.00 49.88 H new ATOM 736 N ALA A 46 19.458 28.890 19.587 1.00 49.53 N ATOM 737 CA ALA A 46 18.103 28.527 20.048 1.00 50.07 C ATOM 738 C ALA A 46 18.152 28.749 21.552 1.00 50.51 C ATOM 739 O ALA A 46 17.467 28.077 22.336 1.00 49.49 O ATOM 740 CB ALA A 46 17.772 27.109 19.707 1.00 49.73 C ATOM 0 H ALA A 46 19.494 29.776 19.083 1.00 49.53 H new ATOM 0 HA ALA A 46 17.325 29.121 19.569 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.768 26.875 20.060 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.817 26.975 18.626 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.490 26.443 20.185 1.00 49.73 H new ATOM 746 N GLY A 47 18.955 29.703 21.927 1.00 49.53 N ATOM 747 CA GLY A 47 19.238 30.159 23.255 1.00 49.98 C ATOM 748 C GLY A 47 19.984 29.228 24.176 1.00 50.51 C ATOM 749 O GLY A 47 20.268 29.602 25.336 1.00 49.49 O ATOM 0 H GLY A 47 19.482 30.236 21.235 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.812 31.082 23.176 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.291 30.412 23.731 1.00 49.98 H new ATOM 753 N LYS A 48 20.359 28.069 23.707 1.00 49.53 N ATOM 754 CA LYS A 48 21.135 27.108 24.502 1.00 50.07 C ATOM 755 C LYS A 48 22.625 27.113 24.115 1.00 50.51 C ATOM 756 O LYS A 48 22.914 27.160 22.928 1.00 49.49 O ATOM 757 CB LYS A 48 20.559 25.700 24.347 1.00 49.82 C ATOM 758 CG LYS A 48 21.269 24.635 25.171 1.00 49.82 C ATOM 759 CD LYS A 48 20.513 23.315 25.139 1.00 49.82 C ATOM 760 CE LYS A 48 21.250 22.235 25.919 1.00 50.21 C ATOM 761 NZ LYS A 48 20.505 20.948 25.927 1.00 49.70 N ATOM 0 H LYS A 48 20.143 27.748 22.763 1.00 49.53 H new ATOM 0 HA LYS A 48 21.062 27.415 25.545 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.506 25.718 24.629 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.602 25.417 23.295 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.278 24.488 24.787 1.00 49.82 H new ATOM 0 HG3 LYS A 48 21.367 24.975 26.202 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.517 23.454 25.559 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.381 22.994 24.106 1.00 49.82 H new ATOM 0 HE2 LYS A 48 22.236 22.080 25.481 1.00 50.21 H new ATOM 0 HE3 LYS A 48 21.406 22.570 26.944 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 21.041 20.240 26.468 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 19.574 21.089 26.368 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 20.379 20.614 24.950 1.00 49.70 H new ATOM 775 N GLN A 49 23.504 27.054 25.078 1.00 49.53 N ATOM 776 CA GLN A 49 24.955 26.933 24.761 1.00 50.07 C ATOM 777 C GLN A 49 25.163 25.542 24.169 1.00 50.51 C ATOM 778 O GLN A 49 24.554 24.570 24.689 1.00 49.49 O ATOM 779 CB GLN A 49 25.813 27.115 26.017 1.00 49.82 C ATOM 780 CG GLN A 49 25.634 28.459 26.703 1.00 49.82 C ATOM 781 CD GLN A 49 26.276 28.497 28.078 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.795 27.488 28.564 1.00 49.45 O ATOM 783 NE2 GLN A 49 26.241 29.662 28.714 1.00 49.38 N ATOM 0 H GLN A 49 23.279 27.084 26.072 1.00 49.53 H new ATOM 0 HA GLN A 49 25.257 27.709 24.058 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.572 26.323 26.726 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.862 26.994 25.748 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.068 29.242 26.081 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.570 28.678 26.796 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.801 30.470 28.274 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.654 29.749 29.643 1.00 49.38 H new ATOM 792 N LEU A 50 25.941 25.432 23.120 1.00 49.53 N ATOM 793 CA LEU A 50 26.140 24.154 22.417 1.00 50.07 C ATOM 794 C LEU A 50 27.300 23.389 23.033 1.00 50.51 C ATOM 795 O LEU A 50 28.126 24.023 23.659 1.00 49.49 O ATOM 796 CB LEU A 50 26.392 24.400 20.923 1.00 49.82 C ATOM 797 CG LEU A 50 25.401 25.354 20.243 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.681 25.419 18.748 1.00 49.73 C ATOM 799 CD2 LEU A 50 23.978 24.883 20.506 1.00 49.73 C ATOM 0 H LEU A 50 26.460 26.213 22.718 1.00 49.53 H new ATOM 0 HA LEU A 50 25.236 23.554 22.520 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.399 24.800 20.801 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.365 23.442 20.403 1.00 49.82 H new ATOM 0 HG LEU A 50 25.520 26.356 20.656 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.972 26.099 18.274 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.696 25.780 18.583 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.575 24.425 18.314 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.275 25.561 20.023 1.00 49.73 H new ATOM 0 HD22 LEU A 50 23.847 23.878 20.104 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.791 24.872 21.580 1.00 49.73 H new ATOM 811 N GLU A 51 27.335 22.070 22.838 1.00 49.53 N ATOM 812 CA GLU A 51 28.402 21.249 23.449 1.00 50.07 C ATOM 813 C GLU A 51 29.534 21.010 22.489 1.00 50.51 C ATOM 814 O GLU A 51 29.302 20.991 21.282 1.00 49.49 O ATOM 815 CB GLU A 51 27.836 19.914 23.936 1.00 49.82 C ATOM 816 CG GLU A 51 28.745 19.159 24.897 1.00 49.72 C ATOM 817 CD GLU A 51 28.250 17.758 25.130 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.045 17.053 24.170 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.182 17.355 26.267 1.00 49.24 O ATOM 0 H GLU A 51 26.659 21.550 22.278 1.00 49.53 H new ATOM 0 HA GLU A 51 28.796 21.803 24.301 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.880 20.096 24.427 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.636 19.281 23.072 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.757 19.127 24.494 1.00 49.72 H new ATOM 0 HG3 GLU A 51 28.796 19.692 25.847 1.00 49.72 H new ATOM 826 N ASP A 52 30.731 20.742 22.949 1.00 49.53 N ATOM 827 CA ASP A 52 31.943 20.571 22.153 1.00 50.07 C ATOM 828 C ASP A 52 32.141 19.121 21.747 1.00 50.51 C ATOM 829 O ASP A 52 33.263 18.582 21.965 1.00 49.49 O ATOM 830 CB ASP A 52 33.165 21.072 22.925 1.00 49.72 C ATOM 831 CG ASP A 52 33.074 22.523 23.375 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.436 23.296 22.700 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.507 22.815 24.465 1.00 49.24 O ATOM 0 H ASP A 52 30.906 20.629 23.947 1.00 49.53 H new ATOM 0 HA ASP A 52 31.828 21.163 21.245 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.309 20.441 23.802 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.049 20.954 22.298 1.00 49.72 H new ATOM 838 N GLY A 53 31.096 18.461 21.299 1.00 49.53 N ATOM 839 CA GLY A 53 31.110 17.035 20.921 1.00 49.98 C ATOM 840 C GLY A 53 29.905 16.627 20.142 1.00 50.51 C ATOM 841 O GLY A 53 29.609 15.417 20.006 1.00 49.49 O ATOM 0 H GLY A 53 30.182 18.898 21.179 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.004 16.830 20.332 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.176 16.426 21.823 1.00 49.98 H new ATOM 845 N ARG A 54 29.262 17.536 19.419 1.00 49.53 N ATOM 846 CA ARG A 54 28.107 17.192 18.564 1.00 50.07 C ATOM 847 C ARG A 54 28.161 17.723 17.139 1.00 50.51 C ATOM 848 O ARG A 54 28.870 18.710 16.855 1.00 49.49 O ATOM 849 CB ARG A 54 26.792 17.575 19.226 1.00 49.82 C ATOM 850 CG ARG A 54 26.486 16.831 20.517 1.00 49.82 C ATOM 851 CD ARG A 54 25.062 16.888 20.933 1.00 50.20 C ATOM 852 NE ARG A 54 24.779 16.247 22.207 1.00 49.30 N ATOM 853 CZ ARG A 54 23.570 16.223 22.801 1.00 50.64 C ATOM 854 NH1 ARG A 54 22.539 16.834 22.262 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.454 15.589 23.955 1.00 49.20 N ATOM 0 H ARG A 54 29.514 18.524 19.401 1.00 49.53 H new ATOM 0 HA ARG A 54 28.168 16.108 18.463 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.805 18.645 19.434 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.981 17.397 18.520 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.776 15.787 20.398 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.102 17.244 21.315 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.755 17.932 20.990 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.452 16.418 20.161 1.00 50.20 H new ATOM 0 HE ARG A 54 25.551 15.782 22.685 1.00 49.30 H new ATOM 0 HH11 ARG A 54 22.647 17.336 21.381 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.630 16.806 22.725 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.267 15.135 24.372 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.551 15.554 24.429 1.00 49.20 H new ATOM 869 N THR A 55 27.361 17.153 16.271 1.00 49.53 N ATOM 870 CA THR A 55 27.233 17.578 14.859 1.00 50.07 C ATOM 871 C THR A 55 26.071 18.541 14.518 1.00 50.51 C ATOM 872 O THR A 55 25.071 18.580 15.225 1.00 49.49 O ATOM 873 CB THR A 55 27.119 16.352 13.934 1.00 50.14 C ATOM 874 OG1 THR A 55 25.922 15.627 14.242 1.00 49.34 O ATOM 875 CG2 THR A 55 28.322 15.437 14.111 1.00 49.73 C ATOM 0 H THR A 55 26.761 16.364 16.510 1.00 49.53 H new ATOM 0 HA THR A 55 28.147 18.148 14.694 1.00 50.07 H new ATOM 0 HB THR A 55 27.087 16.697 12.901 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.537 15.970 15.075 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.225 14.576 13.450 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.233 15.982 13.865 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.371 15.096 15.145 1.00 49.73 H new ATOM 883 N LEU A 56 26.277 19.332 13.484 1.00 49.53 N ATOM 884 CA LEU A 56 25.249 20.266 12.989 1.00 50.07 C ATOM 885 C LEU A 56 23.959 19.452 12.917 1.00 50.51 C ATOM 886 O LEU A 56 22.930 19.982 13.239 1.00 49.49 O ATOM 887 CB LEU A 56 25.633 20.829 11.616 1.00 49.82 C ATOM 888 CG LEU A 56 26.935 21.639 11.583 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.184 22.171 10.178 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.851 22.780 12.585 1.00 49.73 C ATOM 0 H LEU A 56 27.150 19.356 12.957 1.00 49.53 H new ATOM 0 HA LEU A 56 25.138 21.129 13.645 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.721 20.001 10.913 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.820 21.463 11.261 1.00 49.82 H new ATOM 0 HG LEU A 56 27.770 20.994 11.856 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.111 22.745 10.165 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.264 21.336 9.482 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.355 22.813 9.880 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.777 23.355 12.560 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.014 23.429 12.328 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.702 22.375 13.586 1.00 49.73 H new ATOM 902 N SER A 57 24.070 18.145 12.606 1.00 49.53 N ATOM 903 CA SER A 57 22.816 17.355 12.524 1.00 50.07 C ATOM 904 C SER A 57 22.051 17.279 13.827 1.00 50.51 C ATOM 905 O SER A 57 20.785 17.199 13.822 1.00 49.49 O ATOM 906 CB SER A 57 23.125 15.957 12.026 1.00 50.05 C ATOM 907 OG SER A 57 23.412 15.938 10.655 1.00 49.34 O ATOM 0 H SER A 57 24.938 17.642 12.420 1.00 49.53 H new ATOM 0 HA SER A 57 22.168 17.880 11.822 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.974 15.555 12.579 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.275 15.305 12.227 1.00 50.05 H new ATOM 0 HG SER A 57 23.607 15.020 10.374 1.00 49.34 H new ATOM 913 N ASP A 58 22.757 17.320 14.942 1.00 49.53 N ATOM 914 CA ASP A 58 22.106 17.257 16.278 1.00 50.07 C ATOM 915 C ASP A 58 21.272 18.498 16.613 1.00 50.51 C ATOM 916 O ASP A 58 20.425 18.504 17.510 1.00 49.49 O ATOM 917 CB ASP A 58 23.158 17.035 17.367 1.00 49.72 C ATOM 918 CG ASP A 58 23.906 15.714 17.260 1.00 50.62 C ATOM 919 OD1 ASP A 58 24.813 15.629 16.466 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.671 14.854 18.075 1.00 49.24 O ATOM 0 H ASP A 58 23.774 17.396 14.971 1.00 49.53 H new ATOM 0 HA ASP A 58 21.415 16.415 16.240 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.880 17.851 17.329 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.671 17.085 18.341 1.00 49.72 H new ATOM 925 N TYR A 59 21.687 19.606 16.069 1.00 49.53 N ATOM 926 CA TYR A 59 21.032 20.901 16.242 1.00 50.07 C ATOM 927 C TYR A 59 20.177 21.166 15.024 1.00 50.51 C ATOM 928 O TYR A 59 19.172 21.891 15.165 1.00 49.49 O ATOM 929 CB TYR A 59 22.065 22.014 16.428 1.00 49.82 C ATOM 930 CG TYR A 59 23.205 21.645 17.349 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.046 21.679 18.727 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.439 21.266 16.840 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.084 21.343 19.574 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.484 20.927 17.678 1.00 49.88 C ATOM 935 CZ TYR A 59 25.302 20.967 19.045 1.00 50.11 C ATOM 936 OH TYR A 59 26.340 20.632 19.885 1.00 49.46 O ATOM 0 H TYR A 59 22.513 19.650 15.473 1.00 49.53 H new ATOM 0 HA TYR A 59 20.410 20.882 17.137 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.471 22.285 15.454 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.564 22.898 16.822 1.00 49.82 H new ATOM 0 HD1 TYR A 59 22.094 21.973 19.144 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.585 21.235 15.770 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.943 21.374 20.644 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.438 20.632 17.265 1.00 49.88 H new ATOM 0 HH TYR A 59 25.981 20.252 20.714 1.00 49.46 H new ATOM 946 N ASN A 60 20.468 20.640 13.852 1.00 49.53 N ATOM 947 CA ASN A 60 19.603 20.925 12.688 1.00 50.07 C ATOM 948 C ASN A 60 19.597 22.399 12.305 1.00 50.51 C ATOM 949 O ASN A 60 18.557 23.084 12.385 1.00 49.49 O ATOM 950 CB ASN A 60 18.183 20.448 12.931 1.00 49.82 C ATOM 951 CG ASN A 60 18.072 18.964 13.146 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.255 18.491 13.944 1.00 49.45 O ATOM 953 ND2 ASN A 60 18.944 18.232 12.499 1.00 49.38 N ATOM 0 H ASN A 60 21.265 20.031 13.666 1.00 49.53 H new ATOM 0 HA ASN A 60 20.029 20.371 11.851 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.780 20.964 13.803 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.564 20.730 12.080 1.00 49.82 H new ATOM 0 HD21 ASN A 60 18.970 17.223 12.643 1.00 49.38 H new ATOM 0 HD22 ASN A 60 19.597 18.671 11.851 1.00 49.38 H new ATOM 960 N ILE A 61 20.716 22.893 11.816 1.00 49.53 N ATOM 961 CA ILE A 61 20.793 24.301 11.322 1.00 50.07 C ATOM 962 C ILE A 61 20.415 24.429 9.850 1.00 50.51 C ATOM 963 O ILE A 61 21.147 23.782 9.045 1.00 49.49 O ATOM 964 CB ILE A 61 22.202 24.888 11.526 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.594 24.835 13.005 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.263 26.317 11.008 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.040 25.187 13.267 1.00 49.73 C ATOM 0 H ILE A 61 21.588 22.369 11.740 1.00 49.53 H new ATOM 0 HA ILE A 61 20.069 24.862 11.913 1.00 50.07 H new ATOM 0 HB ILE A 61 22.913 24.286 10.960 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.956 25.519 13.565 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.399 23.833 13.387 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.266 26.717 11.160 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.025 26.329 9.944 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.542 26.931 11.548 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.241 25.127 14.337 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.687 24.488 12.737 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.237 26.200 12.917 1.00 49.73 H new ATOM 979 N GLN A 62 19.387 25.165 9.531 1.00 49.53 N ATOM 980 CA GLN A 62 18.879 25.311 8.135 1.00 50.07 C ATOM 981 C GLN A 62 19.691 26.450 7.514 1.00 50.51 C ATOM 982 O GLN A 62 20.332 27.222 8.248 1.00 49.49 O ATOM 983 CB GLN A 62 17.383 25.641 8.119 1.00 49.82 C ATOM 984 CG GLN A 62 16.485 24.479 8.505 1.00 49.82 C ATOM 985 CD GLN A 62 15.020 24.869 8.548 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.647 25.977 8.154 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.180 23.960 9.031 1.00 49.38 N ATOM 0 H GLN A 62 18.852 25.698 10.217 1.00 49.53 H new ATOM 0 HA GLN A 62 18.993 24.382 7.576 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.198 26.471 8.801 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.108 25.982 7.121 1.00 49.82 H new ATOM 0 HG2 GLN A 62 16.621 23.666 7.792 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.786 24.100 9.482 1.00 49.82 H new ATOM 0 HE21 GLN A 62 14.533 23.056 9.346 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.183 24.166 9.087 1.00 49.38 H new ATOM 996 N LYS A 63 19.696 26.554 6.186 1.00 49.53 N ATOM 997 CA LYS A 63 20.477 27.548 5.484 1.00 50.07 C ATOM 998 C LYS A 63 19.923 28.917 5.868 1.00 50.51 C ATOM 999 O LYS A 63 18.740 29.120 6.097 1.00 49.49 O ATOM 1000 CB LYS A 63 20.402 27.338 3.971 1.00 49.82 C ATOM 1001 CG LYS A 63 19.017 27.545 3.373 1.00 49.82 C ATOM 1002 CD LYS A 63 18.976 27.124 1.912 1.00 49.82 C ATOM 1003 CE LYS A 63 17.599 27.359 1.307 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.510 26.846 -0.087 1.00 49.70 N ATOM 0 H LYS A 63 19.154 25.945 5.573 1.00 49.53 H new ATOM 0 HA LYS A 63 21.528 27.468 5.762 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.099 28.022 3.487 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.736 26.326 3.740 1.00 49.82 H new ATOM 0 HG2 LYS A 63 18.284 26.970 3.940 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.735 28.594 3.459 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.723 27.683 1.349 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.237 26.069 1.828 1.00 49.82 H new ATOM 0 HE2 LYS A 63 16.844 26.870 1.923 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.376 28.426 1.316 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.557 27.025 -0.463 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.213 27.330 -0.681 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.698 25.823 -0.093 1.00 49.70 H new ATOM 1018 N GLU A 64 20.879 29.853 5.951 1.00 49.53 N ATOM 1019 CA GLU A 64 20.661 31.237 6.283 1.00 50.07 C ATOM 1020 C GLU A 64 20.178 31.516 7.676 1.00 50.51 C ATOM 1021 O GLU A 64 19.250 32.328 7.913 1.00 49.49 O ATOM 1022 CB GLU A 64 19.687 31.861 5.283 1.00 49.82 C ATOM 1023 CG GLU A 64 20.154 31.812 3.835 1.00 49.72 C ATOM 1024 CD GLU A 64 21.504 32.456 3.676 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.648 33.592 4.057 1.00 49.24 O ATOM 1026 OE2 GLU A 64 22.420 31.775 3.278 1.00 49.24 O ATOM 0 H GLU A 64 21.861 29.640 5.778 1.00 49.53 H new ATOM 0 HA GLU A 64 21.652 31.688 6.229 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.728 31.348 5.360 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.516 32.901 5.562 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.201 30.776 3.500 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.429 32.320 3.199 1.00 49.72 H new ATOM 1033 N SER A 65 20.901 30.960 8.636 1.00 49.53 N ATOM 1034 CA SER A 65 20.669 31.195 10.066 1.00 50.07 C ATOM 1035 C SER A 65 21.903 31.952 10.610 1.00 50.51 C ATOM 1036 O SER A 65 23.015 31.741 10.140 1.00 49.49 O ATOM 1037 CB SER A 65 20.464 29.884 10.801 1.00 50.05 C ATOM 1038 OG SER A 65 19.231 29.293 10.489 1.00 49.34 O ATOM 0 H SER A 65 21.676 30.324 8.449 1.00 49.53 H new ATOM 0 HA SER A 65 19.765 31.784 10.218 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.270 29.196 10.547 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.521 30.058 11.875 1.00 50.05 H new ATOM 0 HG SER A 65 19.363 28.600 9.809 1.00 49.34 H new ATOM 1044 N THR A 66 21.691 32.821 11.562 1.00 49.53 N ATOM 1045 CA THR A 66 22.777 33.547 12.230 1.00 50.07 C ATOM 1046 C THR A 66 23.114 32.766 13.500 1.00 50.51 C ATOM 1047 O THR A 66 22.182 32.198 14.111 1.00 49.49 O ATOM 1048 CB THR A 66 22.376 34.989 12.595 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.201 34.967 13.415 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.097 35.798 11.338 1.00 49.73 C ATOM 0 H THR A 66 20.761 33.058 11.909 1.00 49.53 H new ATOM 0 HA THR A 66 23.632 33.623 11.558 1.00 50.07 H new ATOM 0 HB THR A 66 23.199 35.453 13.139 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.948 35.885 13.648 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.815 36.814 11.614 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.992 35.826 10.717 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.283 35.335 10.780 1.00 49.73 H new ATOM 1058 N LEU A 67 24.402 32.674 13.849 1.00 49.53 N ATOM 1059 CA LEU A 67 24.782 32.030 15.113 1.00 50.07 C ATOM 1060 C LEU A 67 25.216 33.150 16.081 1.00 50.51 C ATOM 1061 O LEU A 67 25.490 34.231 15.537 1.00 49.49 O ATOM 1062 CB LEU A 67 25.916 31.022 14.891 1.00 49.82 C ATOM 1063 CG LEU A 67 25.691 30.029 13.743 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.918 29.144 13.571 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.457 29.188 14.034 1.00 49.73 C ATOM 0 H LEU A 67 25.181 33.026 13.292 1.00 49.53 H new ATOM 0 HA LEU A 67 23.943 31.472 15.529 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.837 31.572 14.699 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.066 30.460 15.813 1.00 49.82 H new ATOM 0 HG LEU A 67 25.532 30.576 12.814 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.749 28.442 12.754 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.785 29.764 13.343 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.100 28.591 14.492 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.297 28.483 13.219 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.602 28.640 14.965 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.587 29.838 14.127 1.00 49.73 H new ATOM 1077 N HIS A 68 25.293 32.866 17.332 1.00 49.53 N ATOM 1078 CA HIS A 68 25.751 33.903 18.288 1.00 50.07 C ATOM 1079 C HIS A 68 27.057 33.560 19.002 1.00 50.51 C ATOM 1080 O HIS A 68 27.099 32.644 19.850 1.00 49.49 O ATOM 1081 CB HIS A 68 24.662 34.184 19.327 1.00 49.92 C ATOM 1082 CG HIS A 68 23.442 34.841 18.758 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.339 34.126 18.340 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.152 36.145 18.536 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.422 34.963 17.887 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.891 36.193 17.994 1.00 49.64 N ATOM 0 H HIS A 68 25.060 31.962 17.744 1.00 49.53 H new ATOM 0 HA HIS A 68 25.949 34.791 17.687 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.372 33.245 19.799 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.075 34.820 20.110 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.792 36.989 18.746 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.454 34.688 17.496 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.397 37.042 17.719 1.00 49.64 H new ATOM 1094 N LEU A 69 28.105 34.314 18.715 1.00 49.53 N ATOM 1095 CA LEU A 69 29.392 34.139 19.383 1.00 50.07 C ATOM 1096 C LEU A 69 29.428 34.954 20.640 1.00 50.51 C ATOM 1097 O LEU A 69 28.989 36.157 20.581 1.00 49.49 O ATOM 1098 CB LEU A 69 30.539 34.538 18.445 1.00 49.82 C ATOM 1099 CG LEU A 69 31.933 34.538 19.085 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.300 33.132 19.539 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.951 35.064 18.084 1.00 49.73 C ATOM 0 H LEU A 69 28.093 35.060 18.019 1.00 49.53 H new ATOM 0 HA LEU A 69 29.517 33.088 19.644 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.547 33.856 17.595 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.337 35.534 18.052 1.00 49.82 H new ATOM 0 HG LEU A 69 31.931 35.189 19.960 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.291 33.143 19.992 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.571 32.784 20.271 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.301 32.461 18.680 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.942 35.064 18.539 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.957 34.425 17.201 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.685 36.080 17.794 1.00 49.73 H new ATOM 1113 N VAL A 70 29.822 34.407 21.744 1.00 49.53 N ATOM 1114 CA VAL A 70 29.978 35.206 22.994 1.00 50.07 C ATOM 1115 C VAL A 70 31.447 35.055 23.415 1.00 50.51 C ATOM 1116 O VAL A 70 32.019 33.955 23.246 1.00 49.49 O ATOM 1117 CB VAL A 70 29.053 34.712 24.122 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.524 33.362 24.643 1.00 49.73 C ATOM 1119 CG2 VAL A 70 29.001 35.728 25.252 1.00 49.73 C ATOM 0 H VAL A 70 30.050 33.418 21.842 1.00 49.53 H new ATOM 0 HA VAL A 70 29.704 36.245 22.811 1.00 50.07 H new ATOM 0 HB VAL A 70 28.048 34.595 23.717 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.859 33.027 25.440 1.00 49.73 H new ATOM 0 HG12 VAL A 70 29.513 32.635 23.831 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.538 33.456 25.032 1.00 49.73 H new ATOM 0 HG21 VAL A 70 28.343 35.362 26.040 1.00 49.73 H new ATOM 0 HG22 VAL A 70 30.003 35.875 25.655 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.620 36.676 24.872 1.00 49.73 H new ATOM 1129 N LEU A 71 32.047 36.111 23.912 1.00 49.53 N ATOM 1130 CA LEU A 71 33.450 36.045 24.376 1.00 50.07 C ATOM 1131 C LEU A 71 33.730 35.510 25.756 1.00 50.51 C ATOM 1132 O LEU A 71 33.152 35.974 26.758 1.00 49.49 O ATOM 1133 CB LEU A 71 34.084 37.435 24.246 1.00 49.82 C ATOM 1134 CG LEU A 71 33.951 38.087 22.864 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.316 39.563 22.945 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.850 37.363 21.872 1.00 49.73 C ATOM 0 H LEU A 71 31.608 37.026 24.013 1.00 49.53 H new ATOM 0 HA LEU A 71 33.891 35.292 23.722 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.630 38.094 24.986 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.143 37.358 24.494 1.00 49.82 H new ATOM 0 HG LEU A 71 32.918 38.010 22.524 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.218 40.017 21.959 1.00 49.73 H new ATOM 0 HD12 LEU A 71 33.647 40.065 23.643 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.345 39.665 23.291 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.755 37.826 20.890 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.886 37.427 22.205 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.554 36.316 21.809 1.00 49.73 H new ATOM 1148 N ARG A 72 34.618 34.594 25.863 1.00 49.53 N ATOM 1149 CA ARG A 72 35.041 34.014 27.156 1.00 50.07 C ATOM 1150 C ARG A 72 36.562 34.133 27.240 1.00 50.51 C ATOM 1151 O ARG A 72 37.175 33.148 26.716 1.00 49.49 O ATOM 1152 CB ARG A 72 34.566 32.581 27.341 1.00 49.82 C ATOM 1153 CG ARG A 72 34.755 32.021 28.742 1.00 49.82 C ATOM 1154 CD ARG A 72 34.054 30.734 28.988 1.00 50.20 C ATOM 1155 NE ARG A 72 34.177 30.230 30.346 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.198 29.473 30.791 1.00 50.64 C ATOM 1157 NH1 ARG A 72 36.166 29.099 29.983 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.189 29.095 32.058 1.00 49.20 N ATOM 0 H ARG A 72 35.103 34.194 25.060 1.00 49.53 H new ATOM 0 HA ARG A 72 34.576 34.567 27.973 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.508 32.528 27.084 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.098 31.943 26.635 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.821 31.881 28.923 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.403 32.757 29.465 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.997 30.861 28.755 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.444 29.985 28.299 1.00 50.20 H new ATOM 0 HE ARG A 72 33.438 30.466 31.008 1.00 49.30 H new ATOM 0 HH11 ARG A 72 36.151 29.382 29.003 1.00 49.20 H new ATOM 0 HH12 ARG A 72 36.932 28.526 30.336 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.423 29.377 32.669 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.948 28.521 32.424 1.00 49.20 H new ATOM 1172 N LEU A 73 37.115 35.135 27.839 1.00 49.53 N ATOM 1173 CA LEU A 73 38.595 35.240 27.898 1.00 50.07 C ATOM 1174 C LEU A 73 39.167 34.738 29.216 1.00 50.51 C ATOM 1175 O LEU A 73 38.436 34.519 30.193 1.00 49.49 O ATOM 1176 CB LEU A 73 39.026 36.693 27.655 1.00 49.82 C ATOM 1177 CG LEU A 73 38.638 37.269 26.288 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.228 38.663 26.123 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.130 36.342 25.187 1.00 49.73 C ATOM 0 H LEU A 73 36.607 35.893 28.295 1.00 49.53 H new ATOM 0 HA LEU A 73 38.995 34.598 27.113 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.589 37.320 28.433 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.109 36.757 27.764 1.00 49.82 H new ATOM 0 HG LEU A 73 37.553 37.347 26.221 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.947 39.064 25.149 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.845 39.315 26.908 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.314 38.609 26.194 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.854 36.752 24.216 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.214 36.250 25.247 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.675 35.359 25.309 1.00 49.73 H new ATOM 1191 N ARG A 74 40.469 34.500 29.175 1.00 49.53 N ATOM 1192 CA ARG A 74 41.213 34.000 30.342 1.00 50.07 C ATOM 1193 C ARG A 74 42.132 35.076 30.915 1.00 50.51 C ATOM 1194 O ARG A 74 43.318 35.161 30.550 1.00 49.49 O ATOM 1195 CB ARG A 74 41.978 32.722 30.031 1.00 49.82 C ATOM 1196 CG ARG A 74 42.676 32.089 31.223 1.00 49.82 C ATOM 1197 CD ARG A 74 43.515 30.910 30.886 1.00 50.20 C ATOM 1198 NE ARG A 74 44.184 30.301 32.025 1.00 49.30 N ATOM 1199 CZ ARG A 74 43.601 29.444 32.886 1.00 50.64 C ATOM 1200 NH1 ARG A 74 42.332 29.122 32.766 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.334 28.954 33.870 1.00 49.20 N ATOM 0 H ARG A 74 41.044 34.643 28.345 1.00 49.53 H new ATOM 0 HA ARG A 74 40.477 33.749 31.106 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.286 31.995 29.606 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.723 32.939 29.265 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.303 32.841 31.703 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.924 31.788 31.952 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.888 30.159 30.405 1.00 50.20 H new ATOM 0 HD3 ARG A 74 44.267 31.212 30.157 1.00 50.20 H new ATOM 0 HE ARG A 74 45.163 30.539 32.183 1.00 49.30 H new ATOM 0 HH11 ARG A 74 41.773 29.523 32.012 1.00 49.20 H new ATOM 0 HH12 ARG A 74 41.906 28.472 33.426 1.00 49.20 H new ATOM 0 HH21 ARG A 74 45.313 29.227 33.962 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.921 28.303 34.538 1.00 49.20 H new ATOM 1215 N GLY A 75 41.553 35.888 31.792 1.00 49.53 N ATOM 1216 CA GLY A 75 42.261 36.971 32.462 1.00 49.98 C ATOM 1217 C GLY A 75 41.227 38.073 32.588 1.00 50.51 C ATOM 1218 O GLY A 75 40.586 38.496 31.611 1.00 49.49 O ATOM 0 H GLY A 75 40.572 35.812 32.060 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.632 36.660 33.439 1.00 49.98 H new ATOM 0 HA3 GLY A 75 43.124 37.300 31.883 1.00 49.98 H new ATOM 1222 N GLY A 76 41.271 38.712 33.743 1.00 49.53 N ATOM 1223 CA GLY A 76 40.391 39.830 34.114 1.00 49.98 C ATOM 1224 C GLY A 76 40.082 39.979 35.613 1.00 50.51 C ATOM 1225 O GLY A 76 38.982 40.490 35.903 1.00 49.49 O ATOM 0 H GLY A 76 41.936 38.468 34.477 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.847 40.756 33.764 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.448 39.717 33.579 1.00 49.98 H new