USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 40 GLN : amide:sc= -0.187 K(o=-1.7,f=-4.9) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.55 K(o=-1.7,f=-4.8!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 177:sc= 1.1 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 170:sc= 0.939 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0643 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.1) USER MOD Single : A 7 THR OG1 : rot 50:sc= 0.466 USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.0639 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.292 USER MOD Single : A 17 THR OG1 : rot -150:sc= -0.532 USER MOD Single : A 22 THR OG1 : rot -77:sc= -3.04! USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -0.441 (180deg=-0.593) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= -1.32 (180deg=-1.38) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0784) USER MOD Single : A 49 GLN : amide:sc= 0.686 K(o=0.69,f=-3.2!) USER MOD Single : A 53 SER OG : rot -47:sc= 0.834 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 56 MET CE :methyl -170:sc= 0 (180deg=-0.109) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 62 GLN : amide:sc= -1.92 K(o=-1.9,f=-5.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -70:sc= -1.66 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -154:sc= -0.222 (180deg=-0.725) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.420 1.001 -1.861 1.00 15.50 N ATOM 2 CA MET A 1 1.639 -0.222 -2.005 1.00 64.21 C ATOM 3 C MET A 1 2.553 -1.437 -2.134 1.00 72.14 C ATOM 4 O MET A 1 3.712 -1.313 -2.527 1.00 64.12 O ATOM 5 CB MET A 1 0.722 -0.127 -3.226 1.00 2.11 C ATOM 6 CG MET A 1 -0.530 -0.982 -3.114 1.00 4.13 C ATOM 7 SD MET A 1 -1.772 -0.255 -2.027 1.00 63.42 S ATOM 8 CE MET A 1 -2.716 0.719 -3.196 1.00 71.14 C ATOM 0 H1 MET A 1 2.288 1.386 -0.904 1.00 15.50 H new ATOM 0 H2 MET A 1 3.427 0.790 -2.014 1.00 15.50 H new ATOM 0 H3 MET A 1 2.103 1.700 -2.562 1.00 15.50 H new ATOM 0 HA MET A 1 1.028 -0.341 -1.110 1.00 64.21 H new ATOM 0 HB2 MET A 1 0.430 0.913 -3.371 1.00 2.11 H new ATOM 0 HB3 MET A 1 1.279 -0.428 -4.113 1.00 2.11 H new ATOM 0 HG2 MET A 1 -0.959 -1.123 -4.106 1.00 4.13 H new ATOM 0 HG3 MET A 1 -0.259 -1.969 -2.740 1.00 4.13 H new ATOM 0 HE1 MET A 1 -3.524 1.231 -2.674 1.00 71.14 H new ATOM 0 HE2 MET A 1 -2.064 1.455 -3.667 1.00 71.14 H new ATOM 0 HE3 MET A 1 -3.135 0.064 -3.960 1.00 71.14 H new ATOM 18 N GLN A 2 2.022 -2.609 -1.801 1.00 71.13 N ATOM 19 CA GLN A 2 2.791 -3.845 -1.880 1.00 30.53 C ATOM 20 C GLN A 2 2.613 -4.512 -3.240 1.00 42.20 C ATOM 21 O GLN A 2 1.566 -4.381 -3.874 1.00 15.13 O ATOM 22 CB GLN A 2 2.366 -4.807 -0.768 1.00 51.33 C ATOM 23 CG GLN A 2 1.012 -5.455 -1.009 1.00 41.23 C ATOM 24 CD GLN A 2 0.312 -5.839 0.279 1.00 74.50 C ATOM 25 OE1 GLN A 2 0.920 -5.854 1.350 1.00 52.54 O ATOM 26 NE2 GLN A 2 -0.975 -6.154 0.182 1.00 22.25 N ATOM 0 H GLN A 2 1.063 -2.728 -1.474 1.00 71.13 H new ATOM 0 HA GLN A 2 3.845 -3.596 -1.753 1.00 30.53 H new ATOM 0 HB2 GLN A 2 3.120 -5.587 -0.666 1.00 51.33 H new ATOM 0 HB3 GLN A 2 2.337 -4.266 0.178 1.00 51.33 H new ATOM 0 HG2 GLN A 2 0.379 -4.768 -1.571 1.00 41.23 H new ATOM 0 HG3 GLN A 2 1.143 -6.344 -1.626 1.00 41.23 H new ATOM 0 HE21 GLN A 2 -1.439 -6.128 -0.726 1.00 22.25 H new ATOM 0 HE22 GLN A 2 -1.499 -6.422 1.015 1.00 22.25 H new ATOM 35 N ILE A 3 3.643 -5.225 -3.683 1.00 32.53 N ATOM 36 CA ILE A 3 3.599 -5.913 -4.968 1.00 2.55 C ATOM 37 C ILE A 3 3.531 -7.424 -4.780 1.00 63.44 C ATOM 38 O ILE A 3 3.698 -7.932 -3.671 1.00 42.40 O ATOM 39 CB ILE A 3 4.826 -5.568 -5.832 1.00 25.20 C ATOM 40 CG1 ILE A 3 6.114 -5.981 -5.116 1.00 20.11 C ATOM 41 CG2 ILE A 3 4.847 -4.081 -6.154 1.00 72.55 C ATOM 42 CD1 ILE A 3 7.330 -5.989 -6.016 1.00 31.33 C ATOM 0 H ILE A 3 4.518 -5.341 -3.172 1.00 32.53 H new ATOM 0 HA ILE A 3 2.698 -5.573 -5.479 1.00 2.55 H new ATOM 0 HB ILE A 3 4.759 -6.122 -6.768 1.00 25.20 H new ATOM 0 HG12 ILE A 3 6.292 -5.299 -4.284 1.00 20.11 H new ATOM 0 HG13 ILE A 3 5.981 -6.976 -4.690 1.00 20.11 H new ATOM 0 HG21 ILE A 3 5.720 -3.853 -6.765 1.00 72.55 H new ATOM 0 HG22 ILE A 3 3.942 -3.814 -6.700 1.00 72.55 H new ATOM 0 HG23 ILE A 3 4.893 -3.509 -5.227 1.00 72.55 H new ATOM 0 HD11 ILE A 3 8.206 -6.291 -5.442 1.00 31.33 H new ATOM 0 HD12 ILE A 3 7.173 -6.692 -6.834 1.00 31.33 H new ATOM 0 HD13 ILE A 3 7.489 -4.990 -6.422 1.00 31.33 H new ATOM 54 N PHE A 4 3.287 -8.140 -5.873 1.00 51.12 N ATOM 55 CA PHE A 4 3.198 -9.595 -5.830 1.00 51.24 C ATOM 56 C PHE A 4 4.274 -10.232 -6.705 1.00 1.42 C ATOM 57 O PHE A 4 4.347 -9.971 -7.906 1.00 42.20 O ATOM 58 CB PHE A 4 1.813 -10.056 -6.289 1.00 40.14 C ATOM 59 CG PHE A 4 0.785 -10.047 -5.195 1.00 32.04 C ATOM 60 CD1 PHE A 4 0.080 -11.197 -4.879 1.00 31.23 C ATOM 61 CD2 PHE A 4 0.523 -8.888 -4.482 1.00 32.13 C ATOM 62 CE1 PHE A 4 -0.867 -11.193 -3.871 1.00 43.45 C ATOM 63 CE2 PHE A 4 -0.422 -8.878 -3.473 1.00 52.42 C ATOM 64 CZ PHE A 4 -1.119 -10.031 -3.169 1.00 3.24 C ATOM 0 H PHE A 4 3.147 -7.736 -6.799 1.00 51.12 H new ATOM 0 HA PHE A 4 3.357 -9.913 -4.800 1.00 51.24 H new ATOM 0 HB2 PHE A 4 1.475 -9.411 -7.100 1.00 40.14 H new ATOM 0 HB3 PHE A 4 1.891 -11.064 -6.695 1.00 40.14 H new ATOM 0 HD1 PHE A 4 0.272 -12.108 -5.427 1.00 31.23 H new ATOM 0 HD2 PHE A 4 1.063 -7.983 -4.717 1.00 32.13 H new ATOM 0 HE1 PHE A 4 -1.408 -12.097 -3.633 1.00 43.45 H new ATOM 0 HE2 PHE A 4 -0.615 -7.969 -2.923 1.00 52.42 H new ATOM 0 HZ PHE A 4 -1.860 -10.024 -2.383 1.00 3.24 H new ATOM 74 N ILE A 5 5.107 -11.067 -6.093 1.00 41.22 N ATOM 75 CA ILE A 5 6.179 -11.741 -6.815 1.00 72.13 C ATOM 76 C ILE A 5 5.986 -13.254 -6.799 1.00 12.31 C ATOM 77 O ILE A 5 5.522 -13.821 -5.809 1.00 63.25 O ATOM 78 CB ILE A 5 7.558 -11.404 -6.219 1.00 22.43 C ATOM 79 CG1 ILE A 5 7.800 -9.894 -6.257 1.00 72.12 C ATOM 80 CG2 ILE A 5 8.655 -12.141 -6.972 1.00 63.24 C ATOM 81 CD1 ILE A 5 7.399 -9.185 -4.982 1.00 71.34 C ATOM 0 H ILE A 5 5.060 -11.293 -5.099 1.00 41.22 H new ATOM 0 HA ILE A 5 6.140 -11.383 -7.844 1.00 72.13 H new ATOM 0 HB ILE A 5 7.577 -11.729 -5.179 1.00 22.43 H new ATOM 0 HG12 ILE A 5 8.857 -9.708 -6.449 1.00 72.12 H new ATOM 0 HG13 ILE A 5 7.244 -9.466 -7.091 1.00 72.12 H new ATOM 0 HG21 ILE A 5 9.624 -11.892 -6.539 1.00 63.24 H new ATOM 0 HG22 ILE A 5 8.489 -13.216 -6.897 1.00 63.24 H new ATOM 0 HG23 ILE A 5 8.639 -11.844 -8.021 1.00 63.24 H new ATOM 0 HD11 ILE A 5 7.599 -8.118 -5.081 1.00 71.34 H new ATOM 0 HD12 ILE A 5 6.336 -9.340 -4.799 1.00 71.34 H new ATOM 0 HD13 ILE A 5 7.973 -9.586 -4.147 1.00 71.34 H new ATOM 93 N LYS A 6 6.346 -13.902 -7.901 1.00 70.41 N ATOM 94 CA LYS A 6 6.216 -15.350 -8.014 1.00 62.32 C ATOM 95 C LYS A 6 7.482 -15.966 -8.601 1.00 43.14 C ATOM 96 O LYS A 6 8.114 -15.387 -9.486 1.00 62.52 O ATOM 97 CB LYS A 6 5.011 -15.708 -8.886 1.00 75.32 C ATOM 98 CG LYS A 6 3.707 -15.096 -8.403 1.00 62.00 C ATOM 99 CD LYS A 6 3.055 -15.950 -7.329 1.00 15.33 C ATOM 100 CE LYS A 6 1.541 -15.802 -7.343 1.00 32.12 C ATOM 101 NZ LYS A 6 0.859 -17.030 -6.847 1.00 42.20 N ATOM 0 H LYS A 6 6.730 -13.447 -8.729 1.00 70.41 H new ATOM 0 HA LYS A 6 6.066 -15.755 -7.013 1.00 62.32 H new ATOM 0 HB2 LYS A 6 5.201 -15.378 -9.907 1.00 75.32 H new ATOM 0 HB3 LYS A 6 4.904 -16.792 -8.916 1.00 75.32 H new ATOM 0 HG2 LYS A 6 3.896 -14.097 -8.010 1.00 62.00 H new ATOM 0 HG3 LYS A 6 3.023 -14.983 -9.244 1.00 62.00 H new ATOM 0 HD2 LYS A 6 3.321 -16.996 -7.483 1.00 15.33 H new ATOM 0 HD3 LYS A 6 3.441 -15.664 -6.351 1.00 15.33 H new ATOM 0 HE2 LYS A 6 1.253 -14.952 -6.724 1.00 32.12 H new ATOM 0 HE3 LYS A 6 1.207 -15.585 -8.358 1.00 32.12 H new ATOM 0 HZ1 LYS A 6 -0.169 -16.871 -6.824 1.00 42.20 H new ATOM 0 HZ2 LYS A 6 1.072 -17.826 -7.482 1.00 42.20 H new ATOM 0 HZ3 LYS A 6 1.196 -17.251 -5.889 1.00 42.20 H new ATOM 115 N THR A 7 7.848 -17.144 -8.105 1.00 13.33 N ATOM 116 CA THR A 7 9.038 -17.838 -8.580 1.00 53.32 C ATOM 117 C THR A 7 8.666 -19.075 -9.390 1.00 1.22 C ATOM 118 O THR A 7 7.502 -19.475 -9.432 1.00 21.54 O ATOM 119 CB THR A 7 9.948 -18.258 -7.411 1.00 0.22 C ATOM 120 OG1 THR A 7 11.175 -18.797 -7.914 1.00 60.55 O ATOM 121 CG2 THR A 7 9.258 -19.289 -6.531 1.00 73.32 C ATOM 0 H THR A 7 7.336 -17.638 -7.374 1.00 13.33 H new ATOM 0 HA THR A 7 9.579 -17.138 -9.218 1.00 53.32 H new ATOM 0 HB THR A 7 10.160 -17.374 -6.809 1.00 0.22 H new ATOM 0 HG1 THR A 7 11.551 -18.186 -8.581 1.00 60.55 H new ATOM 0 HG21 THR A 7 9.920 -19.570 -5.712 1.00 73.32 H new ATOM 0 HG22 THR A 7 8.339 -18.865 -6.125 1.00 73.32 H new ATOM 0 HG23 THR A 7 9.019 -20.172 -7.124 1.00 73.32 H new ATOM 129 N LEU A 8 9.661 -19.677 -10.031 1.00 43.15 N ATOM 130 CA LEU A 8 9.439 -20.871 -10.840 1.00 51.52 C ATOM 131 C LEU A 8 8.833 -21.992 -10.001 1.00 45.55 C ATOM 132 O LEU A 8 8.134 -22.862 -10.520 1.00 55.13 O ATOM 133 CB LEU A 8 10.754 -21.339 -11.465 1.00 71.25 C ATOM 134 CG LEU A 8 10.660 -21.897 -12.886 1.00 64.10 C ATOM 135 CD1 LEU A 8 9.787 -23.142 -12.914 1.00 64.12 C ATOM 136 CD2 LEU A 8 10.118 -20.842 -13.839 1.00 3.31 C ATOM 0 H LEU A 8 10.630 -19.358 -10.007 1.00 43.15 H new ATOM 0 HA LEU A 8 8.737 -20.617 -11.634 1.00 51.52 H new ATOM 0 HB2 LEU A 8 11.449 -20.500 -11.471 1.00 71.25 H new ATOM 0 HB3 LEU A 8 11.186 -22.106 -10.822 1.00 71.25 H new ATOM 0 HG LEU A 8 11.662 -22.173 -13.214 1.00 64.10 H new ATOM 0 HD11 LEU A 8 9.732 -23.525 -13.933 1.00 64.12 H new ATOM 0 HD12 LEU A 8 10.218 -23.903 -12.263 1.00 64.12 H new ATOM 0 HD13 LEU A 8 8.785 -22.892 -12.566 1.00 64.12 H new ATOM 0 HD21 LEU A 8 10.058 -21.257 -14.845 1.00 3.31 H new ATOM 0 HD22 LEU A 8 9.124 -20.534 -13.514 1.00 3.31 H new ATOM 0 HD23 LEU A 8 10.783 -19.978 -13.842 1.00 3.31 H new ATOM 148 N THR A 9 9.106 -21.964 -8.700 1.00 53.44 N ATOM 149 CA THR A 9 8.587 -22.976 -7.789 1.00 65.12 C ATOM 150 C THR A 9 7.120 -22.724 -7.465 1.00 14.15 C ATOM 151 O THR A 9 6.456 -23.561 -6.854 1.00 70.03 O ATOM 152 CB THR A 9 9.392 -23.015 -6.477 1.00 25.45 C ATOM 153 OG1 THR A 9 10.753 -22.643 -6.725 1.00 14.54 O ATOM 154 CG2 THR A 9 9.347 -24.403 -5.855 1.00 60.22 C ATOM 0 H THR A 9 9.684 -21.251 -8.254 1.00 53.44 H new ATOM 0 HA THR A 9 8.684 -23.937 -8.295 1.00 65.12 H new ATOM 0 HB THR A 9 8.943 -22.307 -5.781 1.00 25.45 H new ATOM 0 HG1 THR A 9 11.338 -23.097 -6.083 1.00 14.54 H new ATOM 0 HG21 THR A 9 9.923 -24.406 -4.929 1.00 60.22 H new ATOM 0 HG22 THR A 9 8.313 -24.672 -5.640 1.00 60.22 H new ATOM 0 HG23 THR A 9 9.773 -25.127 -6.550 1.00 60.22 H new ATOM 162 N GLY A 10 6.618 -21.564 -7.877 1.00 55.13 N ATOM 163 CA GLY A 10 5.230 -21.223 -7.621 1.00 44.23 C ATOM 164 C GLY A 10 5.049 -20.471 -6.318 1.00 3.14 C ATOM 165 O GLY A 10 3.948 -20.024 -5.997 1.00 74.51 O ATOM 0 H GLY A 10 7.147 -20.854 -8.383 1.00 55.13 H new ATOM 0 HA2 GLY A 10 4.851 -20.616 -8.443 1.00 44.23 H new ATOM 0 HA3 GLY A 10 4.634 -22.135 -7.597 1.00 44.23 H new ATOM 169 N LYS A 11 6.133 -20.331 -5.562 1.00 20.13 N ATOM 170 CA LYS A 11 6.090 -19.629 -4.285 1.00 3.33 C ATOM 171 C LYS A 11 5.629 -18.187 -4.472 1.00 3.20 C ATOM 172 O LYS A 11 6.023 -17.517 -5.427 1.00 40.33 O ATOM 173 CB LYS A 11 7.469 -19.652 -3.620 1.00 34.31 C ATOM 174 CG LYS A 11 7.412 -19.640 -2.102 1.00 60.21 C ATOM 175 CD LYS A 11 8.799 -19.517 -1.493 1.00 53.34 C ATOM 176 CE LYS A 11 8.745 -19.545 0.026 1.00 11.04 C ATOM 177 NZ LYS A 11 8.736 -20.937 0.555 1.00 22.03 N ATOM 0 H LYS A 11 7.053 -20.695 -5.812 1.00 20.13 H new ATOM 0 HA LYS A 11 5.374 -20.141 -3.642 1.00 3.33 H new ATOM 0 HB2 LYS A 11 8.007 -20.542 -3.948 1.00 34.31 H new ATOM 0 HB3 LYS A 11 8.042 -18.790 -3.961 1.00 34.31 H new ATOM 0 HG2 LYS A 11 6.791 -18.809 -1.767 1.00 60.21 H new ATOM 0 HG3 LYS A 11 6.938 -20.555 -1.748 1.00 60.21 H new ATOM 0 HD2 LYS A 11 9.428 -20.332 -1.851 1.00 53.34 H new ATOM 0 HD3 LYS A 11 9.262 -18.588 -1.825 1.00 53.34 H new ATOM 0 HE2 LYS A 11 9.604 -19.009 0.430 1.00 11.04 H new ATOM 0 HE3 LYS A 11 7.852 -19.021 0.367 1.00 11.04 H new ATOM 0 HZ1 LYS A 11 8.699 -20.913 1.594 1.00 22.03 H new ATOM 0 HZ2 LYS A 11 7.903 -21.442 0.190 1.00 22.03 H new ATOM 0 HZ3 LYS A 11 9.600 -21.430 0.251 1.00 22.03 H new ATOM 191 N THR A 12 4.793 -17.713 -3.553 1.00 62.31 N ATOM 192 CA THR A 12 4.279 -16.351 -3.617 1.00 21.11 C ATOM 193 C THR A 12 4.981 -15.451 -2.607 1.00 42.51 C ATOM 194 O THR A 12 4.919 -15.689 -1.401 1.00 2.14 O ATOM 195 CB THR A 12 2.762 -16.311 -3.356 1.00 14.42 C ATOM 196 OG1 THR A 12 2.079 -17.138 -4.305 1.00 11.34 O ATOM 197 CG2 THR A 12 2.235 -14.886 -3.445 1.00 71.35 C ATOM 0 H THR A 12 4.458 -18.253 -2.755 1.00 62.31 H new ATOM 0 HA THR A 12 4.477 -15.985 -4.625 1.00 21.11 H new ATOM 0 HB THR A 12 2.579 -16.687 -2.349 1.00 14.42 H new ATOM 0 HG1 THR A 12 1.141 -17.237 -4.038 1.00 11.34 H new ATOM 0 HG21 THR A 12 1.161 -14.883 -3.257 1.00 71.35 H new ATOM 0 HG22 THR A 12 2.735 -14.266 -2.701 1.00 71.35 H new ATOM 0 HG23 THR A 12 2.430 -14.487 -4.441 1.00 71.35 H new ATOM 205 N ILE A 13 5.648 -14.416 -3.107 1.00 52.34 N ATOM 206 CA ILE A 13 6.360 -13.479 -2.248 1.00 10.44 C ATOM 207 C ILE A 13 5.741 -12.087 -2.320 1.00 11.12 C ATOM 208 O ILE A 13 5.720 -11.458 -3.378 1.00 42.14 O ATOM 209 CB ILE A 13 7.850 -13.386 -2.628 1.00 15.00 C ATOM 210 CG1 ILE A 13 8.471 -14.783 -2.686 1.00 43.22 C ATOM 211 CG2 ILE A 13 8.596 -12.509 -1.634 1.00 43.23 C ATOM 212 CD1 ILE A 13 9.909 -14.785 -3.156 1.00 61.10 C ATOM 0 H ILE A 13 5.710 -14.206 -4.103 1.00 52.34 H new ATOM 0 HA ILE A 13 6.276 -13.859 -1.230 1.00 10.44 H new ATOM 0 HB ILE A 13 7.931 -12.931 -3.615 1.00 15.00 H new ATOM 0 HG12 ILE A 13 8.420 -15.236 -1.696 1.00 43.22 H new ATOM 0 HG13 ILE A 13 7.878 -15.408 -3.354 1.00 43.22 H new ATOM 0 HG21 ILE A 13 9.647 -12.453 -1.916 1.00 43.23 H new ATOM 0 HG22 ILE A 13 8.165 -11.508 -1.638 1.00 43.23 H new ATOM 0 HG23 ILE A 13 8.510 -12.937 -0.635 1.00 43.23 H new ATOM 0 HD11 ILE A 13 10.285 -15.808 -3.173 1.00 61.10 H new ATOM 0 HD12 ILE A 13 9.965 -14.362 -4.159 1.00 61.10 H new ATOM 0 HD13 ILE A 13 10.515 -14.187 -2.476 1.00 61.10 H new ATOM 224 N THR A 14 5.238 -11.609 -1.186 1.00 31.24 N ATOM 225 CA THR A 14 4.619 -10.292 -1.119 1.00 52.42 C ATOM 226 C THR A 14 5.077 -9.530 0.119 1.00 24.44 C ATOM 227 O THR A 14 4.893 -9.990 1.246 1.00 73.22 O ATOM 228 CB THR A 14 3.082 -10.393 -1.106 1.00 31.04 C ATOM 229 OG1 THR A 14 2.653 -11.185 0.007 1.00 30.25 O ATOM 230 CG2 THR A 14 2.569 -11.007 -2.399 1.00 74.03 C ATOM 0 H THR A 14 5.248 -12.116 -0.301 1.00 31.24 H new ATOM 0 HA THR A 14 4.933 -9.751 -2.012 1.00 52.42 H new ATOM 0 HB THR A 14 2.674 -9.386 -1.014 1.00 31.04 H new ATOM 0 HG1 THR A 14 3.230 -11.004 0.779 1.00 30.25 H new ATOM 0 HG21 THR A 14 1.481 -11.068 -2.366 1.00 74.03 H new ATOM 0 HG22 THR A 14 2.872 -10.386 -3.242 1.00 74.03 H new ATOM 0 HG23 THR A 14 2.985 -12.008 -2.517 1.00 74.03 H new ATOM 238 N ALA A 15 5.676 -8.363 -0.097 1.00 33.53 N ATOM 239 CA ALA A 15 6.158 -7.537 1.003 1.00 62.20 C ATOM 240 C ALA A 15 6.502 -6.131 0.523 1.00 33.13 C ATOM 241 O ALA A 15 7.086 -5.956 -0.545 1.00 54.15 O ATOM 242 CB ALA A 15 7.370 -8.184 1.657 1.00 32.52 C ATOM 0 H ALA A 15 5.839 -7.969 -1.024 1.00 33.53 H new ATOM 0 HA ALA A 15 5.360 -7.456 1.741 1.00 62.20 H new ATOM 0 HB1 ALA A 15 7.719 -7.556 2.477 1.00 32.52 H new ATOM 0 HB2 ALA A 15 7.094 -9.165 2.043 1.00 32.52 H new ATOM 0 HB3 ALA A 15 8.165 -8.294 0.920 1.00 32.52 H new ATOM 248 N GLU A 16 6.135 -5.133 1.321 1.00 55.44 N ATOM 249 CA GLU A 16 6.403 -3.742 0.975 1.00 43.30 C ATOM 250 C GLU A 16 7.837 -3.359 1.333 1.00 74.43 C ATOM 251 O GLU A 16 8.384 -3.821 2.335 1.00 74.42 O ATOM 252 CB GLU A 16 5.422 -2.815 1.696 1.00 73.14 C ATOM 253 CG GLU A 16 5.340 -1.425 1.089 1.00 41.52 C ATOM 254 CD GLU A 16 6.361 -0.470 1.677 1.00 20.34 C ATOM 255 OE1 GLU A 16 7.132 -0.899 2.561 1.00 24.12 O ATOM 256 OE2 GLU A 16 6.389 0.704 1.255 1.00 14.41 O ATOM 0 H GLU A 16 5.652 -5.262 2.210 1.00 55.44 H new ATOM 0 HA GLU A 16 6.272 -3.631 -0.101 1.00 43.30 H new ATOM 0 HB2 GLU A 16 4.430 -3.267 1.682 1.00 73.14 H new ATOM 0 HB3 GLU A 16 5.718 -2.729 2.741 1.00 73.14 H new ATOM 0 HG2 GLU A 16 5.491 -1.494 0.012 1.00 41.52 H new ATOM 0 HG3 GLU A 16 4.339 -1.023 1.246 1.00 41.52 H new ATOM 263 N THR A 17 8.441 -2.512 0.505 1.00 30.14 N ATOM 264 CA THR A 17 9.811 -2.068 0.732 1.00 34.41 C ATOM 265 C THR A 17 9.960 -0.578 0.446 1.00 23.55 C ATOM 266 O THR A 17 9.105 0.028 -0.198 1.00 64.55 O ATOM 267 CB THR A 17 10.807 -2.850 -0.145 1.00 32.22 C ATOM 268 OG1 THR A 17 12.142 -2.401 0.111 1.00 1.11 O ATOM 269 CG2 THR A 17 10.482 -2.676 -1.621 1.00 14.45 C ATOM 0 H THR A 17 8.003 -2.120 -0.329 1.00 30.14 H new ATOM 0 HA THR A 17 10.036 -2.258 1.782 1.00 34.41 H new ATOM 0 HB THR A 17 10.725 -3.908 0.106 1.00 32.22 H new ATOM 0 HG1 THR A 17 12.683 -2.505 -0.699 1.00 1.11 H new ATOM 0 HG21 THR A 17 11.199 -3.237 -2.220 1.00 14.45 H new ATOM 0 HG22 THR A 17 9.476 -3.046 -1.818 1.00 14.45 H new ATOM 0 HG23 THR A 17 10.538 -1.620 -1.884 1.00 14.45 H new ATOM 277 N GLU A 18 11.052 0.005 0.930 1.00 1.54 N ATOM 278 CA GLU A 18 11.312 1.426 0.726 1.00 24.41 C ATOM 279 C GLU A 18 11.950 1.671 -0.638 1.00 43.13 C ATOM 280 O GLU A 18 12.504 0.767 -1.265 1.00 14.03 O ATOM 281 CB GLU A 18 12.223 1.964 1.831 1.00 2.14 C ATOM 282 CG GLU A 18 11.469 2.460 3.054 1.00 61.41 C ATOM 283 CD GLU A 18 12.364 2.615 4.268 1.00 21.42 C ATOM 284 OE1 GLU A 18 11.920 3.235 5.257 1.00 55.24 O ATOM 285 OE2 GLU A 18 13.508 2.116 4.230 1.00 2.02 O ATOM 0 H GLU A 18 11.770 -0.483 1.465 1.00 1.54 H new ATOM 0 HA GLU A 18 10.359 1.953 0.762 1.00 24.41 H new ATOM 0 HB2 GLU A 18 12.914 1.178 2.135 1.00 2.14 H new ATOM 0 HB3 GLU A 18 12.824 2.780 1.430 1.00 2.14 H new ATOM 0 HG2 GLU A 18 11.004 3.419 2.825 1.00 61.41 H new ATOM 0 HG3 GLU A 18 10.664 1.763 3.287 1.00 61.41 H new ATOM 292 N PRO A 19 11.871 2.924 -1.111 1.00 64.21 N ATOM 293 CA PRO A 19 12.435 3.318 -2.406 1.00 0.35 C ATOM 294 C PRO A 19 13.960 3.312 -2.400 1.00 72.21 C ATOM 295 O PRO A 19 14.592 3.020 -3.415 1.00 22.14 O ATOM 296 CB PRO A 19 11.907 4.741 -2.603 1.00 40.43 C ATOM 297 CG PRO A 19 11.654 5.247 -1.225 1.00 32.51 C ATOM 298 CD PRO A 19 11.227 4.052 -0.418 1.00 75.30 C ATOM 0 HA PRO A 19 12.151 2.629 -3.201 1.00 0.35 H new ATOM 0 HB2 PRO A 19 12.633 5.363 -3.126 1.00 40.43 H new ATOM 0 HB3 PRO A 19 10.995 4.745 -3.200 1.00 40.43 H new ATOM 0 HG2 PRO A 19 12.551 5.701 -0.805 1.00 32.51 H new ATOM 0 HG3 PRO A 19 10.879 6.014 -1.227 1.00 32.51 H new ATOM 0 HD2 PRO A 19 11.557 4.128 0.618 1.00 75.30 H new ATOM 0 HD3 PRO A 19 10.142 3.946 -0.400 1.00 75.30 H new ATOM 306 N ALA A 20 14.544 3.635 -1.251 1.00 43.11 N ATOM 307 CA ALA A 20 15.995 3.664 -1.114 1.00 21.15 C ATOM 308 C ALA A 20 16.587 2.265 -1.245 1.00 32.41 C ATOM 309 O ALA A 20 17.742 2.104 -1.638 1.00 11.25 O ATOM 310 CB ALA A 20 16.387 4.281 0.221 1.00 54.53 C ATOM 0 H ALA A 20 14.035 3.880 -0.402 1.00 43.11 H new ATOM 0 HA ALA A 20 16.399 4.278 -1.919 1.00 21.15 H new ATOM 0 HB1 ALA A 20 17.473 4.296 0.310 1.00 54.53 H new ATOM 0 HB2 ALA A 20 16.004 5.300 0.277 1.00 54.53 H new ATOM 0 HB3 ALA A 20 15.965 3.689 1.033 1.00 54.53 H new ATOM 316 N GLU A 21 15.788 1.255 -0.913 1.00 55.51 N ATOM 317 CA GLU A 21 16.234 -0.130 -0.993 1.00 65.21 C ATOM 318 C GLU A 21 15.114 -1.035 -1.498 1.00 42.12 C ATOM 319 O GLU A 21 14.683 -1.956 -0.804 1.00 14.24 O ATOM 320 CB GLU A 21 16.717 -0.614 0.376 1.00 1.41 C ATOM 321 CG GLU A 21 18.167 -0.266 0.668 1.00 41.20 C ATOM 322 CD GLU A 21 18.313 1.039 1.426 1.00 12.23 C ATOM 323 OE1 GLU A 21 18.661 2.057 0.792 1.00 11.33 O ATOM 324 OE2 GLU A 21 18.079 1.043 2.653 1.00 63.51 O ATOM 0 H GLU A 21 14.829 1.371 -0.586 1.00 55.51 H new ATOM 0 HA GLU A 21 17.062 -0.177 -1.700 1.00 65.21 H new ATOM 0 HB2 GLU A 21 16.085 -0.178 1.150 1.00 1.41 H new ATOM 0 HB3 GLU A 21 16.593 -1.695 0.434 1.00 1.41 H new ATOM 0 HG2 GLU A 21 18.620 -1.071 1.247 1.00 41.20 H new ATOM 0 HG3 GLU A 21 18.717 -0.200 -0.271 1.00 41.20 H new ATOM 331 N THR A 22 14.646 -0.766 -2.713 1.00 42.41 N ATOM 332 CA THR A 22 13.575 -1.553 -3.311 1.00 45.35 C ATOM 333 C THR A 22 14.085 -2.914 -3.772 1.00 40.53 C ATOM 334 O THR A 22 13.517 -3.950 -3.427 1.00 50.23 O ATOM 335 CB THR A 22 12.943 -0.821 -4.510 1.00 61.14 C ATOM 336 OG1 THR A 22 13.785 0.261 -4.923 1.00 52.23 O ATOM 337 CG2 THR A 22 11.563 -0.289 -4.153 1.00 62.54 C ATOM 0 H THR A 22 14.992 -0.009 -3.302 1.00 42.41 H new ATOM 0 HA THR A 22 12.817 -1.694 -2.540 1.00 45.35 H new ATOM 0 HB THR A 22 12.840 -1.533 -5.329 1.00 61.14 H new ATOM 0 HG1 THR A 22 13.679 1.013 -4.303 1.00 52.23 H new ATOM 0 HG21 THR A 22 11.137 0.224 -5.015 1.00 62.54 H new ATOM 0 HG22 THR A 22 10.916 -1.118 -3.868 1.00 62.54 H new ATOM 0 HG23 THR A 22 11.646 0.409 -3.320 1.00 62.54 H new ATOM 345 N VAL A 23 15.160 -2.904 -4.554 1.00 24.13 N ATOM 346 CA VAL A 23 15.748 -4.138 -5.061 1.00 30.55 C ATOM 347 C VAL A 23 16.538 -4.858 -3.973 1.00 44.23 C ATOM 348 O VAL A 23 16.385 -6.062 -3.774 1.00 72.40 O ATOM 349 CB VAL A 23 16.675 -3.867 -6.260 1.00 24.40 C ATOM 350 CG1 VAL A 23 17.351 -5.152 -6.714 1.00 21.42 C ATOM 351 CG2 VAL A 23 15.897 -3.233 -7.402 1.00 53.42 C ATOM 0 H VAL A 23 15.641 -2.055 -4.850 1.00 24.13 H new ATOM 0 HA VAL A 23 14.923 -4.772 -5.386 1.00 30.55 H new ATOM 0 HB VAL A 23 17.450 -3.168 -5.946 1.00 24.40 H new ATOM 0 HG11 VAL A 23 18.002 -4.941 -7.562 1.00 21.42 H new ATOM 0 HG12 VAL A 23 17.943 -5.561 -5.895 1.00 21.42 H new ATOM 0 HG13 VAL A 23 16.593 -5.877 -7.010 1.00 21.42 H new ATOM 0 HG21 VAL A 23 16.568 -3.048 -8.241 1.00 53.42 H new ATOM 0 HG22 VAL A 23 15.099 -3.906 -7.717 1.00 53.42 H new ATOM 0 HG23 VAL A 23 15.465 -2.289 -7.068 1.00 53.42 H new ATOM 361 N ALA A 24 17.384 -4.110 -3.272 1.00 25.50 N ATOM 362 CA ALA A 24 18.198 -4.676 -2.203 1.00 34.14 C ATOM 363 C ALA A 24 17.332 -5.409 -1.183 1.00 53.53 C ATOM 364 O ALA A 24 17.777 -6.367 -0.551 1.00 55.31 O ATOM 365 CB ALA A 24 19.008 -3.583 -1.521 1.00 61.35 C ATOM 0 H ALA A 24 17.523 -3.111 -3.425 1.00 25.50 H new ATOM 0 HA ALA A 24 18.883 -5.399 -2.646 1.00 34.14 H new ATOM 0 HB1 ALA A 24 19.611 -4.020 -0.725 1.00 61.35 H new ATOM 0 HB2 ALA A 24 19.662 -3.105 -2.251 1.00 61.35 H new ATOM 0 HB3 ALA A 24 18.332 -2.840 -1.098 1.00 61.35 H new ATOM 371 N ASP A 25 16.094 -4.951 -1.028 1.00 62.21 N ATOM 372 CA ASP A 25 15.165 -5.563 -0.085 1.00 64.51 C ATOM 373 C ASP A 25 14.781 -6.969 -0.536 1.00 72.13 C ATOM 374 O ASP A 25 14.639 -7.878 0.282 1.00 33.43 O ATOM 375 CB ASP A 25 13.911 -4.700 0.062 1.00 63.44 C ATOM 376 CG ASP A 25 12.810 -5.405 0.829 1.00 72.44 C ATOM 377 OD1 ASP A 25 11.887 -5.945 0.182 1.00 45.23 O ATOM 378 OD2 ASP A 25 12.871 -5.418 2.076 1.00 74.54 O ATOM 0 H ASP A 25 15.711 -4.158 -1.543 1.00 62.21 H new ATOM 0 HA ASP A 25 15.662 -5.634 0.882 1.00 64.51 H new ATOM 0 HB2 ASP A 25 14.170 -3.773 0.573 1.00 63.44 H new ATOM 0 HB3 ASP A 25 13.543 -4.427 -0.927 1.00 63.44 H new ATOM 383 N LEU A 26 14.612 -7.140 -1.843 1.00 5.01 N ATOM 384 CA LEU A 26 14.243 -8.435 -2.404 1.00 31.02 C ATOM 385 C LEU A 26 15.448 -9.368 -2.460 1.00 22.12 C ATOM 386 O LEU A 26 15.370 -10.527 -2.052 1.00 33.12 O ATOM 387 CB LEU A 26 13.656 -8.257 -3.805 1.00 33.20 C ATOM 388 CG LEU A 26 12.641 -9.312 -4.246 1.00 73.33 C ATOM 389 CD1 LEU A 26 13.283 -10.691 -4.276 1.00 54.35 C ATOM 390 CD2 LEU A 26 11.430 -9.306 -3.325 1.00 11.14 C ATOM 0 H LEU A 26 14.725 -6.398 -2.534 1.00 5.01 H new ATOM 0 HA LEU A 26 13.490 -8.883 -1.755 1.00 31.02 H new ATOM 0 HB2 LEU A 26 13.178 -7.279 -3.855 1.00 33.20 H new ATOM 0 HB3 LEU A 26 14.476 -8.249 -4.523 1.00 33.20 H new ATOM 0 HG LEU A 26 12.307 -9.067 -5.254 1.00 73.33 H new ATOM 0 HD11 LEU A 26 12.546 -11.429 -4.592 1.00 54.35 H new ATOM 0 HD12 LEU A 26 14.118 -10.689 -4.977 1.00 54.35 H new ATOM 0 HD13 LEU A 26 13.646 -10.945 -3.280 1.00 54.35 H new ATOM 0 HD21 LEU A 26 10.719 -10.063 -3.654 1.00 11.14 H new ATOM 0 HD22 LEU A 26 11.747 -9.525 -2.305 1.00 11.14 H new ATOM 0 HD23 LEU A 26 10.955 -8.325 -3.354 1.00 11.14 H new ATOM 402 N LYS A 27 16.564 -8.855 -2.966 1.00 43.31 N ATOM 403 CA LYS A 27 17.788 -9.640 -3.073 1.00 4.42 C ATOM 404 C LYS A 27 18.253 -10.112 -1.699 1.00 21.40 C ATOM 405 O LYS A 27 18.722 -11.240 -1.547 1.00 41.03 O ATOM 406 CB LYS A 27 18.891 -8.814 -3.740 1.00 23.42 C ATOM 407 CG LYS A 27 18.443 -8.115 -5.011 1.00 70.25 C ATOM 408 CD LYS A 27 19.541 -8.111 -6.062 1.00 74.32 C ATOM 409 CE LYS A 27 19.415 -9.299 -7.004 1.00 54.22 C ATOM 410 NZ LYS A 27 19.328 -10.588 -6.263 1.00 44.24 N ATOM 0 H LYS A 27 16.646 -7.898 -3.309 1.00 43.31 H new ATOM 0 HA LYS A 27 17.576 -10.516 -3.687 1.00 4.42 H new ATOM 0 HB2 LYS A 27 19.252 -8.067 -3.033 1.00 23.42 H new ATOM 0 HB3 LYS A 27 19.732 -9.467 -3.972 1.00 23.42 H new ATOM 0 HG2 LYS A 27 17.559 -8.613 -5.409 1.00 70.25 H new ATOM 0 HG3 LYS A 27 18.155 -7.089 -4.781 1.00 70.25 H new ATOM 0 HD2 LYS A 27 19.495 -7.185 -6.635 1.00 74.32 H new ATOM 0 HD3 LYS A 27 20.515 -8.135 -5.573 1.00 74.32 H new ATOM 0 HE2 LYS A 27 18.528 -9.177 -7.626 1.00 54.22 H new ATOM 0 HE3 LYS A 27 20.274 -9.323 -7.675 1.00 54.22 H new ATOM 0 HZ1 LYS A 27 19.414 -11.380 -6.932 1.00 44.24 H new ATOM 0 HZ2 LYS A 27 20.097 -10.640 -5.565 1.00 44.24 H new ATOM 0 HZ3 LYS A 27 18.412 -10.646 -5.774 1.00 44.24 H new ATOM 424 N GLN A 28 18.118 -9.244 -0.702 1.00 51.42 N ATOM 425 CA GLN A 28 18.524 -9.574 0.659 1.00 74.13 C ATOM 426 C GLN A 28 17.593 -10.618 1.266 1.00 74.41 C ATOM 427 O GLN A 28 18.036 -11.530 1.965 1.00 51.12 O ATOM 428 CB GLN A 28 18.536 -8.317 1.529 1.00 13.55 C ATOM 429 CG GLN A 28 18.905 -8.584 2.980 1.00 64.05 C ATOM 430 CD GLN A 28 18.899 -7.326 3.825 1.00 13.22 C ATOM 431 OE1 GLN A 28 17.930 -7.044 4.531 1.00 50.50 O ATOM 432 NE2 GLN A 28 19.983 -6.562 3.758 1.00 14.45 N ATOM 0 H GLN A 28 17.731 -8.307 -0.811 1.00 51.42 H new ATOM 0 HA GLN A 28 19.531 -9.990 0.620 1.00 74.13 H new ATOM 0 HB2 GLN A 28 19.243 -7.601 1.109 1.00 13.55 H new ATOM 0 HB3 GLN A 28 17.551 -7.851 1.493 1.00 13.55 H new ATOM 0 HG2 GLN A 28 18.204 -9.304 3.402 1.00 64.05 H new ATOM 0 HG3 GLN A 28 19.894 -9.040 3.021 1.00 64.05 H new ATOM 0 HE21 GLN A 28 20.763 -6.834 3.159 1.00 14.45 H new ATOM 0 HE22 GLN A 28 20.036 -5.703 4.305 1.00 14.45 H new ATOM 441 N LYS A 29 16.299 -10.480 0.995 1.00 2.51 N ATOM 442 CA LYS A 29 15.304 -11.411 1.513 1.00 2.23 C ATOM 443 C LYS A 29 15.643 -12.845 1.118 1.00 52.51 C ATOM 444 O LYS A 29 15.669 -13.741 1.962 1.00 44.03 O ATOM 445 CB LYS A 29 13.912 -11.043 0.995 1.00 42.33 C ATOM 446 CG LYS A 29 13.145 -10.113 1.919 1.00 41.33 C ATOM 447 CD LYS A 29 11.702 -9.948 1.471 1.00 4.53 C ATOM 448 CE LYS A 29 11.612 -9.223 0.137 1.00 61.10 C ATOM 449 NZ LYS A 29 10.294 -8.553 -0.042 1.00 62.34 N ATOM 0 H LYS A 29 15.915 -9.731 0.419 1.00 2.51 H new ATOM 0 HA LYS A 29 15.310 -11.342 2.601 1.00 2.23 H new ATOM 0 HB2 LYS A 29 14.010 -10.570 0.018 1.00 42.33 H new ATOM 0 HB3 LYS A 29 13.334 -11.956 0.851 1.00 42.33 H new ATOM 0 HG2 LYS A 29 13.169 -10.507 2.935 1.00 41.33 H new ATOM 0 HG3 LYS A 29 13.633 -9.139 1.943 1.00 41.33 H new ATOM 0 HD2 LYS A 29 11.232 -10.928 1.386 1.00 4.53 H new ATOM 0 HD3 LYS A 29 11.147 -9.392 2.227 1.00 4.53 H new ATOM 0 HE2 LYS A 29 12.408 -8.481 0.072 1.00 61.10 H new ATOM 0 HE3 LYS A 29 11.771 -9.934 -0.674 1.00 61.10 H new ATOM 0 HZ1 LYS A 29 10.308 -7.987 -0.914 1.00 62.34 H new ATOM 0 HZ2 LYS A 29 9.545 -9.272 -0.107 1.00 62.34 H new ATOM 0 HZ3 LYS A 29 10.107 -7.932 0.771 1.00 62.34 H new ATOM 463 N ILE A 30 15.902 -13.053 -0.168 1.00 61.14 N ATOM 464 CA ILE A 30 16.242 -14.378 -0.674 1.00 14.52 C ATOM 465 C ILE A 30 17.651 -14.781 -0.255 1.00 44.22 C ATOM 466 O ILE A 30 17.930 -15.958 -0.031 1.00 22.23 O ATOM 467 CB ILE A 30 16.137 -14.438 -2.209 1.00 60.11 C ATOM 468 CG1 ILE A 30 14.725 -14.061 -2.661 1.00 73.22 C ATOM 469 CG2 ILE A 30 16.507 -15.826 -2.711 1.00 11.11 C ATOM 470 CD1 ILE A 30 14.638 -13.688 -4.124 1.00 41.54 C ATOM 0 H ILE A 30 15.883 -12.322 -0.879 1.00 61.14 H new ATOM 0 HA ILE A 30 15.524 -15.075 -0.242 1.00 14.52 H new ATOM 0 HB ILE A 30 16.838 -13.720 -2.635 1.00 60.11 H new ATOM 0 HG12 ILE A 30 14.055 -14.898 -2.468 1.00 73.22 H new ATOM 0 HG13 ILE A 30 14.371 -13.224 -2.059 1.00 73.22 H new ATOM 0 HG21 ILE A 30 16.428 -15.853 -3.798 1.00 11.11 H new ATOM 0 HG22 ILE A 30 17.530 -16.059 -2.416 1.00 11.11 H new ATOM 0 HG23 ILE A 30 15.828 -16.562 -2.280 1.00 11.11 H new ATOM 0 HD11 ILE A 30 13.608 -13.433 -4.374 1.00 41.54 H new ATOM 0 HD12 ILE A 30 15.282 -12.831 -4.320 1.00 41.54 H new ATOM 0 HD13 ILE A 30 14.961 -14.531 -4.734 1.00 41.54 H new ATOM 482 N ALA A 31 18.536 -13.795 -0.151 1.00 5.05 N ATOM 483 CA ALA A 31 19.917 -14.046 0.245 1.00 33.31 C ATOM 484 C ALA A 31 19.986 -14.648 1.644 1.00 33.44 C ATOM 485 O ALA A 31 20.652 -15.660 1.863 1.00 72.51 O ATOM 486 CB ALA A 31 20.727 -12.760 0.181 1.00 14.25 C ATOM 0 H ALA A 31 18.322 -12.815 -0.335 1.00 5.05 H new ATOM 0 HA ALA A 31 20.344 -14.766 -0.453 1.00 33.31 H new ATOM 0 HB1 ALA A 31 21.756 -12.963 0.479 1.00 14.25 H new ATOM 0 HB2 ALA A 31 20.714 -12.372 -0.838 1.00 14.25 H new ATOM 0 HB3 ALA A 31 20.292 -12.022 0.856 1.00 14.25 H new ATOM 492 N ASP A 32 19.294 -14.020 2.589 1.00 43.34 N ATOM 493 CA ASP A 32 19.277 -14.494 3.967 1.00 10.05 C ATOM 494 C ASP A 32 18.367 -15.710 4.113 1.00 40.34 C ATOM 495 O ASP A 32 18.553 -16.535 5.007 1.00 11.12 O ATOM 496 CB ASP A 32 18.813 -13.379 4.907 1.00 65.52 C ATOM 497 CG ASP A 32 19.665 -12.131 4.788 1.00 11.30 C ATOM 498 OD1 ASP A 32 19.112 -11.020 4.927 1.00 53.52 O ATOM 499 OD2 ASP A 32 20.885 -12.265 4.557 1.00 13.42 O ATOM 0 H ASP A 32 18.737 -13.181 2.425 1.00 43.34 H new ATOM 0 HA ASP A 32 20.292 -14.788 4.236 1.00 10.05 H new ATOM 0 HB2 ASP A 32 17.775 -13.130 4.686 1.00 65.52 H new ATOM 0 HB3 ASP A 32 18.842 -13.739 5.935 1.00 65.52 H new ATOM 504 N LYS A 33 17.382 -15.814 3.227 1.00 15.35 N ATOM 505 CA LYS A 33 16.442 -16.928 3.256 1.00 74.05 C ATOM 506 C LYS A 33 17.122 -18.225 2.829 1.00 3.22 C ATOM 507 O LYS A 33 16.960 -19.261 3.472 1.00 31.31 O ATOM 508 CB LYS A 33 15.250 -16.640 2.340 1.00 71.14 C ATOM 509 CG LYS A 33 14.217 -17.753 2.318 1.00 35.01 C ATOM 510 CD LYS A 33 13.362 -17.745 3.574 1.00 12.33 C ATOM 511 CE LYS A 33 13.923 -18.677 4.637 1.00 44.02 C ATOM 512 NZ LYS A 33 13.382 -20.058 4.505 1.00 11.14 N ATOM 0 H LYS A 33 17.214 -15.140 2.480 1.00 15.35 H new ATOM 0 HA LYS A 33 16.087 -17.044 4.280 1.00 74.05 H new ATOM 0 HB2 LYS A 33 14.770 -15.716 2.662 1.00 71.14 H new ATOM 0 HB3 LYS A 33 15.614 -16.473 1.326 1.00 71.14 H new ATOM 0 HG2 LYS A 33 13.579 -17.641 1.442 1.00 35.01 H new ATOM 0 HG3 LYS A 33 14.720 -18.716 2.225 1.00 35.01 H new ATOM 0 HD2 LYS A 33 13.306 -16.731 3.971 1.00 12.33 H new ATOM 0 HD3 LYS A 33 12.345 -18.047 3.325 1.00 12.33 H new ATOM 0 HE2 LYS A 33 15.010 -18.704 4.560 1.00 44.02 H new ATOM 0 HE3 LYS A 33 13.683 -18.286 5.626 1.00 44.02 H new ATOM 0 HZ1 LYS A 33 13.788 -20.662 5.247 1.00 11.14 H new ATOM 0 HZ2 LYS A 33 12.347 -20.036 4.604 1.00 11.14 H new ATOM 0 HZ3 LYS A 33 13.632 -20.441 3.571 1.00 11.14 H new ATOM 526 N GLU A 34 17.885 -18.158 1.743 1.00 63.04 N ATOM 527 CA GLU A 34 18.591 -19.328 1.232 1.00 13.23 C ATOM 528 C GLU A 34 20.050 -19.321 1.680 1.00 74.51 C ATOM 529 O GLU A 34 20.848 -20.149 1.242 1.00 0.15 O ATOM 530 CB GLU A 34 18.515 -19.371 -0.295 1.00 54.53 C ATOM 531 CG GLU A 34 17.182 -19.872 -0.825 1.00 34.34 C ATOM 532 CD GLU A 34 16.948 -21.340 -0.521 1.00 44.51 C ATOM 533 OE1 GLU A 34 16.365 -21.639 0.542 1.00 75.45 O ATOM 534 OE2 GLU A 34 17.350 -22.188 -1.345 1.00 54.51 O ATOM 0 H GLU A 34 18.030 -17.307 1.200 1.00 63.04 H new ATOM 0 HA GLU A 34 18.108 -20.217 1.637 1.00 13.23 H new ATOM 0 HB2 GLU A 34 18.700 -18.371 -0.688 1.00 54.53 H new ATOM 0 HB3 GLU A 34 19.311 -20.014 -0.672 1.00 54.53 H new ATOM 0 HG2 GLU A 34 16.377 -19.281 -0.388 1.00 34.34 H new ATOM 0 HG3 GLU A 34 17.143 -19.717 -1.903 1.00 34.34 H new ATOM 541 N GLY A 35 20.390 -18.380 2.555 1.00 20.32 N ATOM 542 CA GLY A 35 21.752 -18.283 3.047 1.00 12.53 C ATOM 543 C GLY A 35 22.771 -18.237 1.927 1.00 64.44 C ATOM 544 O GLY A 35 23.819 -18.880 2.004 1.00 12.40 O ATOM 0 H GLY A 35 19.747 -17.683 2.932 1.00 20.32 H new ATOM 0 HA2 GLY A 35 21.850 -17.387 3.661 1.00 12.53 H new ATOM 0 HA3 GLY A 35 21.964 -19.136 3.692 1.00 12.53 H new ATOM 548 N VAL A 36 22.465 -17.478 0.880 1.00 53.42 N ATOM 549 CA VAL A 36 23.362 -17.351 -0.262 1.00 61.54 C ATOM 550 C VAL A 36 23.547 -15.891 -0.657 1.00 51.34 C ATOM 551 O VAL A 36 22.706 -15.035 -0.379 1.00 63.30 O ATOM 552 CB VAL A 36 22.837 -18.138 -1.478 1.00 61.11 C ATOM 553 CG1 VAL A 36 23.109 -19.625 -1.310 1.00 33.32 C ATOM 554 CG2 VAL A 36 21.352 -17.878 -1.679 1.00 73.42 C ATOM 0 H VAL A 36 21.602 -16.941 0.799 1.00 53.42 H new ATOM 0 HA VAL A 36 24.323 -17.766 0.043 1.00 61.54 H new ATOM 0 HB VAL A 36 23.366 -17.795 -2.367 1.00 61.11 H new ATOM 0 HG11 VAL A 36 22.731 -20.164 -2.179 1.00 33.32 H new ATOM 0 HG12 VAL A 36 24.182 -19.790 -1.219 1.00 33.32 H new ATOM 0 HG13 VAL A 36 22.609 -19.987 -0.412 1.00 33.32 H new ATOM 0 HG21 VAL A 36 20.997 -18.442 -2.542 1.00 73.42 H new ATOM 0 HG22 VAL A 36 20.804 -18.192 -0.791 1.00 73.42 H new ATOM 0 HG23 VAL A 36 21.189 -16.814 -1.849 1.00 73.42 H new ATOM 564 N PRO A 37 24.674 -15.596 -1.323 1.00 15.32 N ATOM 565 CA PRO A 37 24.995 -14.238 -1.772 1.00 2.21 C ATOM 566 C PRO A 37 24.088 -13.772 -2.905 1.00 53.31 C ATOM 567 O PRO A 37 23.722 -14.554 -3.783 1.00 12.24 O ATOM 568 CB PRO A 37 26.441 -14.359 -2.260 1.00 10.10 C ATOM 569 CG PRO A 37 26.595 -15.792 -2.636 1.00 22.11 C ATOM 570 CD PRO A 37 25.720 -16.565 -1.689 1.00 32.24 C ATOM 0 HA PRO A 37 24.858 -13.503 -0.979 1.00 2.21 H new ATOM 0 HB2 PRO A 37 26.628 -13.704 -3.111 1.00 10.10 H new ATOM 0 HB3 PRO A 37 27.147 -14.076 -1.479 1.00 10.10 H new ATOM 0 HG2 PRO A 37 26.293 -15.959 -3.670 1.00 22.11 H new ATOM 0 HG3 PRO A 37 27.635 -16.108 -2.552 1.00 22.11 H new ATOM 0 HD2 PRO A 37 25.299 -17.451 -2.164 1.00 32.24 H new ATOM 0 HD3 PRO A 37 26.276 -16.905 -0.815 1.00 32.24 H new ATOM 578 N VAL A 38 23.728 -12.492 -2.881 1.00 33.32 N ATOM 579 CA VAL A 38 22.864 -11.922 -3.907 1.00 51.44 C ATOM 580 C VAL A 38 23.477 -12.083 -5.294 1.00 21.22 C ATOM 581 O VAL A 38 22.771 -12.065 -6.302 1.00 70.01 O ATOM 582 CB VAL A 38 22.595 -10.427 -3.648 1.00 24.32 C ATOM 583 CG1 VAL A 38 21.898 -10.234 -2.310 1.00 31.40 C ATOM 584 CG2 VAL A 38 23.894 -9.636 -3.700 1.00 73.25 C ATOM 0 H VAL A 38 24.022 -11.831 -2.162 1.00 33.32 H new ATOM 0 HA VAL A 38 21.921 -12.467 -3.864 1.00 51.44 H new ATOM 0 HB VAL A 38 21.936 -10.053 -4.431 1.00 24.32 H new ATOM 0 HG11 VAL A 38 21.716 -9.172 -2.144 1.00 31.40 H new ATOM 0 HG12 VAL A 38 20.948 -10.768 -2.314 1.00 31.40 H new ATOM 0 HG13 VAL A 38 22.530 -10.623 -1.511 1.00 31.40 H new ATOM 0 HG21 VAL A 38 23.686 -8.582 -3.515 1.00 73.25 H new ATOM 0 HG22 VAL A 38 24.578 -10.010 -2.938 1.00 73.25 H new ATOM 0 HG23 VAL A 38 24.349 -9.749 -4.684 1.00 73.25 H new ATOM 594 N ASP A 39 24.795 -12.242 -5.337 1.00 3.35 N ATOM 595 CA ASP A 39 25.505 -12.408 -6.600 1.00 32.43 C ATOM 596 C ASP A 39 25.017 -13.652 -7.337 1.00 0.31 C ATOM 597 O ASP A 39 25.140 -13.748 -8.558 1.00 34.34 O ATOM 598 CB ASP A 39 27.011 -12.504 -6.354 1.00 64.22 C ATOM 599 CG ASP A 39 27.549 -11.315 -5.583 1.00 41.43 C ATOM 600 OD1 ASP A 39 27.465 -11.328 -4.337 1.00 42.31 O ATOM 601 OD2 ASP A 39 28.055 -10.371 -6.226 1.00 34.00 O ATOM 0 H ASP A 39 25.394 -12.259 -4.511 1.00 3.35 H new ATOM 0 HA ASP A 39 25.301 -11.536 -7.221 1.00 32.43 H new ATOM 0 HB2 ASP A 39 27.228 -13.419 -5.803 1.00 64.22 H new ATOM 0 HB3 ASP A 39 27.528 -12.577 -7.311 1.00 64.22 H new ATOM 606 N GLN A 40 24.465 -14.600 -6.587 1.00 1.13 N ATOM 607 CA GLN A 40 23.961 -15.838 -7.170 1.00 11.34 C ATOM 608 C GLN A 40 22.480 -15.714 -7.512 1.00 32.53 C ATOM 609 O GLN A 40 21.942 -16.514 -8.277 1.00 41.03 O ATOM 610 CB GLN A 40 24.178 -17.006 -6.206 1.00 4.40 C ATOM 611 CG GLN A 40 24.382 -18.341 -6.904 1.00 43.52 C ATOM 612 CD GLN A 40 23.076 -19.054 -7.193 1.00 0.41 C ATOM 613 OE1 GLN A 40 22.187 -19.113 -6.343 1.00 71.11 O ATOM 614 NE2 GLN A 40 22.953 -19.600 -8.397 1.00 52.41 N ATOM 0 H GLN A 40 24.355 -14.535 -5.575 1.00 1.13 H new ATOM 0 HA GLN A 40 24.513 -16.029 -8.090 1.00 11.34 H new ATOM 0 HB2 GLN A 40 25.047 -16.795 -5.582 1.00 4.40 H new ATOM 0 HB3 GLN A 40 23.318 -17.081 -5.540 1.00 4.40 H new ATOM 0 HG2 GLN A 40 24.918 -18.179 -7.839 1.00 43.52 H new ATOM 0 HG3 GLN A 40 25.010 -18.979 -6.283 1.00 43.52 H new ATOM 0 HE21 GLN A 40 23.716 -19.527 -9.071 1.00 52.41 H new ATOM 0 HE22 GLN A 40 22.096 -20.093 -8.648 1.00 52.41 H new ATOM 623 N GLN A 41 21.827 -14.708 -6.939 1.00 71.30 N ATOM 624 CA GLN A 41 20.407 -14.482 -7.183 1.00 63.03 C ATOM 625 C GLN A 41 20.200 -13.320 -8.149 1.00 74.11 C ATOM 626 O GLN A 41 20.831 -12.271 -8.019 1.00 23.51 O ATOM 627 CB GLN A 41 19.680 -14.203 -5.867 1.00 10.31 C ATOM 628 CG GLN A 41 19.857 -15.299 -4.829 1.00 63.43 C ATOM 629 CD GLN A 41 19.068 -16.550 -5.162 1.00 22.53 C ATOM 630 OE1 GLN A 41 17.842 -16.514 -5.273 1.00 45.13 O ATOM 631 NE2 GLN A 41 19.769 -17.667 -5.322 1.00 74.23 N ATOM 0 H GLN A 41 22.258 -14.037 -6.303 1.00 71.30 H new ATOM 0 HA GLN A 41 19.993 -15.384 -7.634 1.00 63.03 H new ATOM 0 HB2 GLN A 41 20.042 -13.261 -5.454 1.00 10.31 H new ATOM 0 HB3 GLN A 41 18.617 -14.074 -6.069 1.00 10.31 H new ATOM 0 HG2 GLN A 41 20.914 -15.551 -4.749 1.00 63.43 H new ATOM 0 HG3 GLN A 41 19.544 -14.925 -3.854 1.00 63.43 H new ATOM 0 HE21 GLN A 41 20.784 -17.651 -5.221 1.00 74.23 H new ATOM 0 HE22 GLN A 41 19.292 -18.541 -5.546 1.00 74.23 H new ATOM 640 N ARG A 42 19.311 -13.514 -9.118 1.00 71.20 N ATOM 641 CA ARG A 42 19.021 -12.483 -10.107 1.00 4.10 C ATOM 642 C ARG A 42 17.516 -12.320 -10.298 1.00 62.32 C ATOM 643 O ARG A 42 16.818 -13.273 -10.648 1.00 54.40 O ATOM 644 CB ARG A 42 19.682 -12.828 -11.443 1.00 52.31 C ATOM 645 CG ARG A 42 19.598 -11.710 -12.470 1.00 24.20 C ATOM 646 CD ARG A 42 20.791 -11.730 -13.413 1.00 5.23 C ATOM 647 NE ARG A 42 21.101 -10.400 -13.932 1.00 21.24 N ATOM 648 CZ ARG A 42 21.713 -9.459 -13.222 1.00 42.31 C ATOM 649 NH1 ARG A 42 22.080 -9.700 -11.971 1.00 13.21 N ATOM 650 NH2 ARG A 42 21.960 -8.273 -13.764 1.00 63.12 N ATOM 0 H ARG A 42 18.779 -14.376 -9.239 1.00 71.20 H new ATOM 0 HA ARG A 42 19.427 -11.540 -9.742 1.00 4.10 H new ATOM 0 HB2 ARG A 42 20.730 -13.072 -11.268 1.00 52.31 H new ATOM 0 HB3 ARG A 42 19.211 -13.722 -11.852 1.00 52.31 H new ATOM 0 HG2 ARG A 42 18.677 -11.810 -13.044 1.00 24.20 H new ATOM 0 HG3 ARG A 42 19.552 -10.748 -11.960 1.00 24.20 H new ATOM 0 HD2 ARG A 42 21.661 -12.126 -12.889 1.00 5.23 H new ATOM 0 HD3 ARG A 42 20.585 -12.404 -14.244 1.00 5.23 H new ATOM 0 HE ARG A 42 20.833 -10.182 -14.892 1.00 21.24 H new ATOM 0 HH11 ARG A 42 21.893 -10.610 -11.551 1.00 13.21 H new ATOM 0 HH12 ARG A 42 22.550 -8.975 -11.429 1.00 13.21 H new ATOM 0 HH21 ARG A 42 21.680 -8.084 -14.726 1.00 63.12 H new ATOM 0 HH22 ARG A 42 22.430 -7.551 -13.218 1.00 63.12 H new ATOM 664 N LEU A 43 17.023 -11.109 -10.066 1.00 42.12 N ATOM 665 CA LEU A 43 15.601 -10.821 -10.212 1.00 55.04 C ATOM 666 C LEU A 43 15.310 -10.183 -11.567 1.00 64.22 C ATOM 667 O LEU A 43 16.101 -9.384 -12.070 1.00 13.33 O ATOM 668 CB LEU A 43 15.129 -9.896 -9.089 1.00 2.20 C ATOM 669 CG LEU A 43 15.486 -8.417 -9.243 1.00 50.03 C ATOM 670 CD1 LEU A 43 14.402 -7.685 -10.019 1.00 42.40 C ATOM 671 CD2 LEU A 43 15.696 -7.774 -7.880 1.00 53.01 C ATOM 0 H LEU A 43 17.587 -10.310 -9.776 1.00 42.12 H new ATOM 0 HA LEU A 43 15.057 -11.764 -10.151 1.00 55.04 H new ATOM 0 HB2 LEU A 43 14.045 -9.981 -9.007 1.00 2.20 H new ATOM 0 HB3 LEU A 43 15.549 -10.255 -8.149 1.00 2.20 H new ATOM 0 HG LEU A 43 16.418 -8.344 -9.804 1.00 50.03 H new ATOM 0 HD11 LEU A 43 14.673 -6.634 -10.119 1.00 42.40 H new ATOM 0 HD12 LEU A 43 14.300 -8.129 -11.009 1.00 42.40 H new ATOM 0 HD13 LEU A 43 13.455 -7.766 -9.486 1.00 42.40 H new ATOM 0 HD21 LEU A 43 15.949 -6.722 -8.009 1.00 53.01 H new ATOM 0 HD22 LEU A 43 14.781 -7.858 -7.293 1.00 53.01 H new ATOM 0 HD23 LEU A 43 16.508 -8.281 -7.360 1.00 53.01 H new ATOM 683 N ILE A 44 14.172 -10.540 -12.152 1.00 31.42 N ATOM 684 CA ILE A 44 13.776 -10.000 -13.447 1.00 24.24 C ATOM 685 C ILE A 44 12.308 -9.589 -13.445 1.00 40.32 C ATOM 686 O ILE A 44 11.464 -10.262 -12.853 1.00 1.30 O ATOM 687 CB ILE A 44 14.011 -11.019 -14.577 1.00 62.32 C ATOM 688 CG1 ILE A 44 15.470 -11.481 -14.582 1.00 72.32 C ATOM 689 CG2 ILE A 44 13.637 -10.414 -15.922 1.00 1.01 C ATOM 690 CD1 ILE A 44 15.778 -12.498 -15.659 1.00 50.11 C ATOM 0 H ILE A 44 13.508 -11.201 -11.750 1.00 31.42 H new ATOM 0 HA ILE A 44 14.396 -9.122 -13.626 1.00 24.24 H new ATOM 0 HB ILE A 44 13.375 -11.887 -14.401 1.00 62.32 H new ATOM 0 HG12 ILE A 44 16.117 -10.614 -14.717 1.00 72.32 H new ATOM 0 HG13 ILE A 44 15.710 -11.910 -13.609 1.00 72.32 H new ATOM 0 HG21 ILE A 44 13.809 -11.146 -16.711 1.00 1.01 H new ATOM 0 HG22 ILE A 44 12.585 -10.130 -15.913 1.00 1.01 H new ATOM 0 HG23 ILE A 44 14.249 -9.531 -16.107 1.00 1.01 H new ATOM 0 HD11 ILE A 44 16.829 -12.780 -15.603 1.00 50.11 H new ATOM 0 HD12 ILE A 44 15.157 -13.382 -15.513 1.00 50.11 H new ATOM 0 HD13 ILE A 44 15.570 -12.066 -16.638 1.00 50.11 H new ATOM 702 N PHE A 45 12.009 -8.480 -14.114 1.00 4.33 N ATOM 703 CA PHE A 45 10.642 -7.978 -14.191 1.00 23.23 C ATOM 704 C PHE A 45 10.207 -7.807 -15.643 1.00 52.20 C ATOM 705 O PHE A 45 10.648 -6.886 -16.330 1.00 14.43 O ATOM 706 CB PHE A 45 10.523 -6.645 -13.450 1.00 3.40 C ATOM 707 CG PHE A 45 9.104 -6.231 -13.185 1.00 10.31 C ATOM 708 CD1 PHE A 45 8.278 -5.835 -14.225 1.00 30.34 C ATOM 709 CD2 PHE A 45 8.596 -6.237 -11.896 1.00 0.43 C ATOM 710 CE1 PHE A 45 6.971 -5.454 -13.984 1.00 62.22 C ATOM 711 CE2 PHE A 45 7.290 -5.857 -11.649 1.00 42.03 C ATOM 712 CZ PHE A 45 6.477 -5.464 -12.695 1.00 22.15 C ATOM 0 H PHE A 45 12.695 -7.912 -14.611 1.00 4.33 H new ATOM 0 HA PHE A 45 9.986 -8.708 -13.717 1.00 23.23 H new ATOM 0 HB2 PHE A 45 11.055 -6.717 -12.501 1.00 3.40 H new ATOM 0 HB3 PHE A 45 11.017 -5.868 -14.034 1.00 3.40 H new ATOM 0 HD1 PHE A 45 8.660 -5.824 -15.235 1.00 30.34 H new ATOM 0 HD2 PHE A 45 9.228 -6.542 -11.075 1.00 0.43 H new ATOM 0 HE1 PHE A 45 6.337 -5.149 -14.803 1.00 62.22 H new ATOM 0 HE2 PHE A 45 6.906 -5.867 -10.640 1.00 42.03 H new ATOM 0 HZ PHE A 45 5.457 -5.165 -12.504 1.00 22.15 H new ATOM 722 N ALA A 46 9.339 -8.702 -16.104 1.00 11.43 N ATOM 723 CA ALA A 46 8.842 -8.649 -17.473 1.00 63.41 C ATOM 724 C ALA A 46 9.993 -8.598 -18.473 1.00 33.13 C ATOM 725 O ALA A 46 9.864 -8.023 -19.553 1.00 24.03 O ATOM 726 CB ALA A 46 7.927 -7.448 -17.657 1.00 73.11 C ATOM 0 H ALA A 46 8.966 -9.472 -15.549 1.00 11.43 H new ATOM 0 HA ALA A 46 8.271 -9.558 -17.661 1.00 63.41 H new ATOM 0 HB1 ALA A 46 7.564 -7.422 -18.684 1.00 73.11 H new ATOM 0 HB2 ALA A 46 7.081 -7.527 -16.975 1.00 73.11 H new ATOM 0 HB3 ALA A 46 8.480 -6.533 -17.444 1.00 73.11 H new ATOM 732 N GLY A 47 11.118 -9.203 -18.105 1.00 21.13 N ATOM 733 CA GLY A 47 12.275 -9.214 -18.980 1.00 43.33 C ATOM 734 C GLY A 47 13.191 -8.029 -18.745 1.00 24.22 C ATOM 735 O GLY A 47 14.027 -7.704 -19.588 1.00 4.51 O ATOM 0 H GLY A 47 11.249 -9.686 -17.216 1.00 21.13 H new ATOM 0 HA2 GLY A 47 12.834 -10.137 -18.827 1.00 43.33 H new ATOM 0 HA3 GLY A 47 11.942 -9.212 -20.018 1.00 43.33 H new ATOM 739 N LYS A 48 13.034 -7.381 -17.596 1.00 1.13 N ATOM 740 CA LYS A 48 13.853 -6.225 -17.250 1.00 70.04 C ATOM 741 C LYS A 48 14.568 -6.442 -15.920 1.00 74.24 C ATOM 742 O LYS A 48 13.928 -6.650 -14.890 1.00 4.25 O ATOM 743 CB LYS A 48 12.988 -4.965 -17.177 1.00 13.13 C ATOM 744 CG LYS A 48 12.369 -4.573 -18.507 1.00 62.15 C ATOM 745 CD LYS A 48 11.048 -3.848 -18.316 1.00 52.33 C ATOM 746 CE LYS A 48 11.248 -2.344 -18.208 1.00 1.11 C ATOM 747 NZ LYS A 48 11.567 -1.730 -19.527 1.00 33.31 N ATOM 0 H LYS A 48 12.346 -7.637 -16.888 1.00 1.13 H new ATOM 0 HA LYS A 48 14.605 -6.098 -18.029 1.00 70.04 H new ATOM 0 HB2 LYS A 48 12.193 -5.122 -16.448 1.00 13.13 H new ATOM 0 HB3 LYS A 48 13.596 -4.138 -16.811 1.00 13.13 H new ATOM 0 HG2 LYS A 48 13.060 -3.933 -19.056 1.00 62.15 H new ATOM 0 HG3 LYS A 48 12.211 -5.465 -19.113 1.00 62.15 H new ATOM 0 HD2 LYS A 48 10.386 -4.069 -19.153 1.00 52.33 H new ATOM 0 HD3 LYS A 48 10.556 -4.216 -17.416 1.00 52.33 H new ATOM 0 HE2 LYS A 48 10.346 -1.886 -17.803 1.00 1.11 H new ATOM 0 HE3 LYS A 48 12.055 -2.135 -17.505 1.00 1.11 H new ATOM 0 HZ1 LYS A 48 11.479 -0.696 -19.459 1.00 33.31 H new ATOM 0 HZ2 LYS A 48 12.540 -1.978 -19.799 1.00 33.31 H new ATOM 0 HZ3 LYS A 48 10.905 -2.087 -20.245 1.00 33.31 H new ATOM 761 N GLN A 49 15.895 -6.391 -15.952 1.00 63.40 N ATOM 762 CA GLN A 49 16.695 -6.582 -14.748 1.00 65.01 C ATOM 763 C GLN A 49 16.722 -5.311 -13.905 1.00 72.31 C ATOM 764 O GLN A 49 17.070 -4.236 -14.395 1.00 14.12 O ATOM 765 CB GLN A 49 18.122 -6.993 -15.118 1.00 12.41 C ATOM 766 CG GLN A 49 18.198 -8.298 -15.892 1.00 74.43 C ATOM 767 CD GLN A 49 19.510 -8.462 -16.634 1.00 55.32 C ATOM 768 OE1 GLN A 49 20.531 -7.894 -16.246 1.00 14.53 O ATOM 769 NE2 GLN A 49 19.489 -9.241 -17.709 1.00 61.20 N ATOM 0 H GLN A 49 16.439 -6.219 -16.798 1.00 63.40 H new ATOM 0 HA GLN A 49 16.236 -7.377 -14.160 1.00 65.01 H new ATOM 0 HB2 GLN A 49 18.577 -6.201 -15.713 1.00 12.41 H new ATOM 0 HB3 GLN A 49 18.712 -7.086 -14.206 1.00 12.41 H new ATOM 0 HG2 GLN A 49 18.068 -9.133 -15.203 1.00 74.43 H new ATOM 0 HG3 GLN A 49 17.374 -8.342 -16.605 1.00 74.43 H new ATOM 0 HE21 GLN A 49 18.620 -9.692 -17.995 1.00 61.20 H new ATOM 0 HE22 GLN A 49 20.342 -9.388 -18.249 1.00 61.20 H new ATOM 778 N LEU A 50 16.352 -5.442 -12.636 1.00 11.41 N ATOM 779 CA LEU A 50 16.333 -4.303 -11.724 1.00 33.21 C ATOM 780 C LEU A 50 17.579 -4.289 -10.845 1.00 0.23 C ATOM 781 O LEU A 50 17.930 -5.297 -10.233 1.00 71.20 O ATOM 782 CB LEU A 50 15.078 -4.346 -10.849 1.00 63.25 C ATOM 783 CG LEU A 50 13.791 -4.790 -11.544 1.00 74.14 C ATOM 784 CD1 LEU A 50 12.658 -4.918 -10.538 1.00 33.01 C ATOM 785 CD2 LEU A 50 13.417 -3.813 -12.649 1.00 51.15 C ATOM 0 H LEU A 50 16.061 -6.324 -12.215 1.00 11.41 H new ATOM 0 HA LEU A 50 16.321 -3.391 -12.321 1.00 33.21 H new ATOM 0 HB2 LEU A 50 15.266 -5.018 -10.012 1.00 63.25 H new ATOM 0 HB3 LEU A 50 14.917 -3.353 -10.430 1.00 63.25 H new ATOM 0 HG LEU A 50 13.963 -5.768 -11.994 1.00 74.14 H new ATOM 0 HD11 LEU A 50 11.750 -5.235 -11.051 1.00 33.01 H new ATOM 0 HD12 LEU A 50 12.924 -5.657 -9.782 1.00 33.01 H new ATOM 0 HD13 LEU A 50 12.486 -3.954 -10.059 1.00 33.01 H new ATOM 0 HD21 LEU A 50 12.498 -4.145 -13.133 1.00 51.15 H new ATOM 0 HD22 LEU A 50 13.264 -2.822 -12.222 1.00 51.15 H new ATOM 0 HD23 LEU A 50 14.220 -3.771 -13.385 1.00 51.15 H new ATOM 797 N GLU A 51 18.242 -3.138 -10.785 1.00 60.04 N ATOM 798 CA GLU A 51 19.448 -2.993 -9.979 1.00 45.14 C ATOM 799 C GLU A 51 19.153 -2.234 -8.689 1.00 34.32 C ATOM 800 O GLU A 51 18.065 -1.684 -8.515 1.00 20.20 O ATOM 801 CB GLU A 51 20.535 -2.265 -10.774 1.00 31.20 C ATOM 802 CG GLU A 51 20.895 -2.951 -12.081 1.00 51.55 C ATOM 803 CD GLU A 51 21.589 -4.282 -11.870 1.00 71.15 C ATOM 804 OE1 GLU A 51 21.615 -5.094 -12.819 1.00 54.13 O ATOM 805 OE2 GLU A 51 22.106 -4.513 -10.757 1.00 52.45 O ATOM 0 H GLU A 51 17.964 -2.293 -11.285 1.00 60.04 H new ATOM 0 HA GLU A 51 19.803 -3.991 -9.720 1.00 45.14 H new ATOM 0 HB2 GLU A 51 20.200 -1.250 -10.986 1.00 31.20 H new ATOM 0 HB3 GLU A 51 21.430 -2.183 -10.158 1.00 31.20 H new ATOM 0 HG2 GLU A 51 19.989 -3.107 -12.667 1.00 51.55 H new ATOM 0 HG3 GLU A 51 21.543 -2.296 -12.664 1.00 51.55 H new ATOM 812 N ASP A 52 20.128 -2.210 -7.787 1.00 72.21 N ATOM 813 CA ASP A 52 19.973 -1.519 -6.512 1.00 63.22 C ATOM 814 C ASP A 52 19.659 -0.042 -6.729 1.00 64.21 C ATOM 815 O ASP A 52 19.127 0.626 -5.843 1.00 50.11 O ATOM 816 CB ASP A 52 21.243 -1.666 -5.671 1.00 54.54 C ATOM 817 CG ASP A 52 22.495 -1.301 -6.445 1.00 74.50 C ATOM 818 OD1 ASP A 52 22.619 -0.128 -6.856 1.00 35.51 O ATOM 819 OD2 ASP A 52 23.351 -2.189 -6.639 1.00 31.32 O ATOM 0 H ASP A 52 21.034 -2.661 -7.915 1.00 72.21 H new ATOM 0 HA ASP A 52 19.139 -1.974 -5.979 1.00 63.22 H new ATOM 0 HB2 ASP A 52 21.167 -1.031 -4.789 1.00 54.54 H new ATOM 0 HB3 ASP A 52 21.324 -2.694 -5.318 1.00 54.54 H new ATOM 824 N SER A 53 19.994 0.461 -7.913 1.00 70.00 N ATOM 825 CA SER A 53 19.752 1.860 -8.245 1.00 4.22 C ATOM 826 C SER A 53 18.388 2.034 -8.905 1.00 12.35 C ATOM 827 O SER A 53 18.091 3.082 -9.479 1.00 5.31 O ATOM 828 CB SER A 53 20.851 2.383 -9.173 1.00 15.34 C ATOM 829 OG SER A 53 20.691 3.769 -9.421 1.00 51.31 O ATOM 0 H SER A 53 20.434 -0.079 -8.658 1.00 70.00 H new ATOM 0 HA SER A 53 19.764 2.435 -7.319 1.00 4.22 H new ATOM 0 HB2 SER A 53 21.828 2.201 -8.724 1.00 15.34 H new ATOM 0 HB3 SER A 53 20.826 1.836 -10.116 1.00 15.34 H new ATOM 0 HG SER A 53 19.756 3.955 -9.648 1.00 51.31 H new ATOM 835 N LYS A 54 17.560 0.999 -8.818 1.00 74.12 N ATOM 836 CA LYS A 54 16.225 1.035 -9.405 1.00 21.14 C ATOM 837 C LYS A 54 15.164 0.694 -8.363 1.00 52.23 C ATOM 838 O LYS A 54 15.456 0.066 -7.345 1.00 63.35 O ATOM 839 CB LYS A 54 16.135 0.057 -10.579 1.00 1.43 C ATOM 840 CG LYS A 54 17.321 0.132 -11.525 1.00 10.32 C ATOM 841 CD LYS A 54 16.986 -0.454 -12.886 1.00 23.30 C ATOM 842 CE LYS A 54 18.146 -0.304 -13.858 1.00 64.21 C ATOM 843 NZ LYS A 54 18.213 1.067 -14.435 1.00 53.10 N ATOM 0 H LYS A 54 17.790 0.124 -8.346 1.00 74.12 H new ATOM 0 HA LYS A 54 16.042 2.046 -9.768 1.00 21.14 H new ATOM 0 HB2 LYS A 54 16.055 -0.958 -10.190 1.00 1.43 H new ATOM 0 HB3 LYS A 54 15.221 0.257 -11.139 1.00 1.43 H new ATOM 0 HG2 LYS A 54 17.630 1.171 -11.641 1.00 10.32 H new ATOM 0 HG3 LYS A 54 18.166 -0.406 -11.094 1.00 10.32 H new ATOM 0 HD2 LYS A 54 16.735 -1.509 -12.777 1.00 23.30 H new ATOM 0 HD3 LYS A 54 16.104 0.043 -13.290 1.00 23.30 H new ATOM 0 HE2 LYS A 54 19.081 -0.528 -13.345 1.00 64.21 H new ATOM 0 HE3 LYS A 54 18.042 -1.032 -14.663 1.00 64.21 H new ATOM 0 HZ1 LYS A 54 19.017 1.128 -15.092 1.00 53.10 H new ATOM 0 HZ2 LYS A 54 17.331 1.272 -14.947 1.00 53.10 H new ATOM 0 HZ3 LYS A 54 18.338 1.760 -13.670 1.00 53.10 H new ATOM 857 N THR A 55 13.929 1.112 -8.625 1.00 20.12 N ATOM 858 CA THR A 55 12.824 0.851 -7.711 1.00 23.22 C ATOM 859 C THR A 55 11.554 0.492 -8.473 1.00 35.15 C ATOM 860 O THR A 55 11.421 0.800 -9.657 1.00 32.24 O ATOM 861 CB THR A 55 12.542 2.067 -6.809 1.00 23.15 C ATOM 862 OG1 THR A 55 11.709 3.005 -7.498 1.00 13.44 O ATOM 863 CG2 THR A 55 13.839 2.744 -6.391 1.00 63.35 C ATOM 0 H THR A 55 13.669 1.633 -9.463 1.00 20.12 H new ATOM 0 HA THR A 55 13.121 0.007 -7.088 1.00 23.22 H new ATOM 0 HB THR A 55 12.029 1.716 -5.913 1.00 23.15 H new ATOM 0 HG1 THR A 55 11.533 3.774 -6.917 1.00 13.44 H new ATOM 0 HG21 THR A 55 13.614 3.600 -5.755 1.00 63.35 H new ATOM 0 HG22 THR A 55 14.458 2.036 -5.841 1.00 63.35 H new ATOM 0 HG23 THR A 55 14.375 3.082 -7.278 1.00 63.35 H new ATOM 871 N MET A 56 10.621 -0.160 -7.785 1.00 65.13 N ATOM 872 CA MET A 56 9.360 -0.559 -8.398 1.00 54.00 C ATOM 873 C MET A 56 8.588 0.659 -8.896 1.00 11.14 C ATOM 874 O MET A 56 7.955 0.616 -9.950 1.00 12.11 O ATOM 875 CB MET A 56 8.508 -1.343 -7.398 1.00 71.31 C ATOM 876 CG MET A 56 9.242 -2.510 -6.758 1.00 63.43 C ATOM 877 SD MET A 56 9.794 -3.730 -7.966 1.00 75.32 S ATOM 878 CE MET A 56 10.928 -4.699 -6.975 1.00 63.13 C ATOM 0 H MET A 56 10.715 -0.423 -6.804 1.00 65.13 H new ATOM 0 HA MET A 56 9.586 -1.198 -9.252 1.00 54.00 H new ATOM 0 HB2 MET A 56 8.166 -0.666 -6.615 1.00 71.31 H new ATOM 0 HB3 MET A 56 7.619 -1.718 -7.906 1.00 71.31 H new ATOM 0 HG2 MET A 56 10.104 -2.134 -6.207 1.00 63.43 H new ATOM 0 HG3 MET A 56 8.587 -2.993 -6.033 1.00 63.43 H new ATOM 0 HE1 MET A 56 11.484 -5.380 -7.620 1.00 63.13 H new ATOM 0 HE2 MET A 56 11.624 -4.034 -6.463 1.00 63.13 H new ATOM 0 HE3 MET A 56 10.367 -5.274 -6.238 1.00 63.13 H new ATOM 888 N ALA A 57 8.645 1.744 -8.130 1.00 21.34 N ATOM 889 CA ALA A 57 7.953 2.974 -8.494 1.00 70.41 C ATOM 890 C ALA A 57 8.663 3.684 -9.641 1.00 62.04 C ATOM 891 O ALA A 57 8.081 4.538 -10.311 1.00 23.14 O ATOM 892 CB ALA A 57 7.843 3.895 -7.288 1.00 31.40 C ATOM 0 H ALA A 57 9.164 1.796 -7.253 1.00 21.34 H new ATOM 0 HA ALA A 57 6.950 2.711 -8.829 1.00 70.41 H new ATOM 0 HB1 ALA A 57 7.324 4.810 -7.575 1.00 31.40 H new ATOM 0 HB2 ALA A 57 7.285 3.394 -6.497 1.00 31.40 H new ATOM 0 HB3 ALA A 57 8.841 4.142 -6.927 1.00 31.40 H new ATOM 898 N ASP A 58 9.923 3.326 -9.863 1.00 3.44 N ATOM 899 CA ASP A 58 10.713 3.930 -10.930 1.00 22.32 C ATOM 900 C ASP A 58 10.262 3.419 -12.295 1.00 1.32 C ATOM 901 O ASP A 58 10.221 4.173 -13.268 1.00 32.42 O ATOM 902 CB ASP A 58 12.199 3.631 -10.725 1.00 61.41 C ATOM 903 CG ASP A 58 13.080 4.371 -11.712 1.00 70.33 C ATOM 904 OD1 ASP A 58 14.232 3.936 -11.922 1.00 1.01 O ATOM 905 OD2 ASP A 58 12.617 5.384 -12.276 1.00 41.11 O ATOM 0 H ASP A 58 10.419 2.621 -9.318 1.00 3.44 H new ATOM 0 HA ASP A 58 10.560 5.009 -10.897 1.00 22.32 H new ATOM 0 HB2 ASP A 58 12.485 3.906 -9.710 1.00 61.41 H new ATOM 0 HB3 ASP A 58 12.368 2.559 -10.825 1.00 61.41 H new ATOM 910 N TYR A 59 9.926 2.136 -12.359 1.00 62.21 N ATOM 911 CA TYR A 59 9.482 1.524 -13.606 1.00 33.34 C ATOM 912 C TYR A 59 7.972 1.666 -13.774 1.00 61.23 C ATOM 913 O TYR A 59 7.382 1.091 -14.688 1.00 53.50 O ATOM 914 CB TYR A 59 9.873 0.045 -13.640 1.00 50.42 C ATOM 915 CG TYR A 59 11.280 -0.197 -14.138 1.00 71.10 C ATOM 916 CD1 TYR A 59 12.290 -0.581 -13.265 1.00 22.04 C ATOM 917 CD2 TYR A 59 11.599 -0.041 -15.481 1.00 64.41 C ATOM 918 CE1 TYR A 59 13.577 -0.803 -13.715 1.00 24.03 C ATOM 919 CE2 TYR A 59 12.883 -0.263 -15.940 1.00 43.33 C ATOM 920 CZ TYR A 59 13.869 -0.643 -15.053 1.00 72.03 C ATOM 921 OH TYR A 59 15.149 -0.863 -15.507 1.00 23.05 O ATOM 0 H TYR A 59 9.952 1.499 -11.562 1.00 62.21 H new ATOM 0 HA TYR A 59 9.972 2.042 -14.431 1.00 33.34 H new ATOM 0 HB2 TYR A 59 9.775 -0.372 -12.638 1.00 50.42 H new ATOM 0 HB3 TYR A 59 9.173 -0.493 -14.279 1.00 50.42 H new ATOM 0 HD1 TYR A 59 12.065 -0.708 -12.216 1.00 22.04 H new ATOM 0 HD2 TYR A 59 10.830 0.259 -16.178 1.00 64.41 H new ATOM 0 HE1 TYR A 59 14.350 -1.100 -13.022 1.00 24.03 H new ATOM 0 HE2 TYR A 59 13.114 -0.140 -16.988 1.00 43.33 H new ATOM 0 HH TYR A 59 15.184 -0.708 -16.474 1.00 23.05 H new ATOM 931 N ASN A 60 7.354 2.437 -12.885 1.00 71.43 N ATOM 932 CA ASN A 60 5.913 2.656 -12.935 1.00 31.45 C ATOM 933 C ASN A 60 5.156 1.351 -12.706 1.00 22.31 C ATOM 934 O ASN A 60 4.015 1.199 -13.142 1.00 15.14 O ATOM 935 CB ASN A 60 5.514 3.260 -14.282 1.00 53.31 C ATOM 936 CG ASN A 60 4.255 4.101 -14.188 1.00 42.33 C ATOM 937 OD1 ASN A 60 3.154 3.623 -14.461 1.00 10.14 O ATOM 938 ND2 ASN A 60 4.414 5.362 -13.802 1.00 34.24 N ATOM 0 H ASN A 60 7.828 2.920 -12.122 1.00 71.43 H new ATOM 0 HA ASN A 60 5.649 3.353 -12.140 1.00 31.45 H new ATOM 0 HB2 ASN A 60 6.332 3.875 -14.658 1.00 53.31 H new ATOM 0 HB3 ASN A 60 5.360 2.459 -15.005 1.00 53.31 H new ATOM 0 HD21 ASN A 60 3.604 5.977 -13.722 1.00 34.24 H new ATOM 0 HD22 ASN A 60 5.346 5.715 -13.586 1.00 34.24 H new ATOM 945 N ILE A 61 5.800 0.412 -12.020 1.00 11.42 N ATOM 946 CA ILE A 61 5.187 -0.878 -11.732 1.00 22.41 C ATOM 947 C ILE A 61 4.841 -1.005 -10.252 1.00 43.01 C ATOM 948 O ILE A 61 5.728 -1.057 -9.400 1.00 70.53 O ATOM 949 CB ILE A 61 6.112 -2.043 -12.133 1.00 4.34 C ATOM 950 CG1 ILE A 61 7.550 -1.754 -11.695 1.00 70.24 C ATOM 951 CG2 ILE A 61 6.047 -2.278 -13.634 1.00 71.52 C ATOM 952 CD1 ILE A 61 8.499 -2.906 -11.941 1.00 61.05 C ATOM 0 H ILE A 61 6.746 0.521 -11.654 1.00 11.42 H new ATOM 0 HA ILE A 61 4.272 -0.931 -12.322 1.00 22.41 H new ATOM 0 HB ILE A 61 5.773 -2.948 -11.629 1.00 4.34 H new ATOM 0 HG12 ILE A 61 7.913 -0.874 -12.226 1.00 70.24 H new ATOM 0 HG13 ILE A 61 7.556 -1.509 -10.633 1.00 70.24 H new ATOM 0 HG21 ILE A 61 6.706 -3.104 -13.902 1.00 71.52 H new ATOM 0 HG22 ILE A 61 5.024 -2.522 -13.920 1.00 71.52 H new ATOM 0 HG23 ILE A 61 6.365 -1.376 -14.158 1.00 71.52 H new ATOM 0 HD11 ILE A 61 9.499 -2.631 -11.607 1.00 61.05 H new ATOM 0 HD12 ILE A 61 8.159 -3.782 -11.388 1.00 61.05 H new ATOM 0 HD13 ILE A 61 8.523 -3.137 -13.006 1.00 61.05 H new ATOM 964 N GLN A 62 3.547 -1.055 -9.955 1.00 31.12 N ATOM 965 CA GLN A 62 3.084 -1.177 -8.577 1.00 41.24 C ATOM 966 C GLN A 62 1.663 -1.727 -8.527 1.00 74.14 C ATOM 967 O GLN A 62 1.067 -2.034 -9.560 1.00 64.35 O ATOM 968 CB GLN A 62 3.143 0.181 -7.875 1.00 60.14 C ATOM 969 CG GLN A 62 4.397 0.380 -7.040 1.00 45.01 C ATOM 970 CD GLN A 62 4.603 -0.725 -6.023 1.00 62.54 C ATOM 971 OE1 GLN A 62 5.686 -1.303 -5.928 1.00 63.52 O ATOM 972 NE2 GLN A 62 3.562 -1.026 -5.256 1.00 52.22 N ATOM 0 H GLN A 62 2.801 -1.013 -10.649 1.00 31.12 H new ATOM 0 HA GLN A 62 3.742 -1.875 -8.059 1.00 41.24 H new ATOM 0 HB2 GLN A 62 3.086 0.971 -8.624 1.00 60.14 H new ATOM 0 HB3 GLN A 62 2.268 0.287 -7.233 1.00 60.14 H new ATOM 0 HG2 GLN A 62 5.264 0.428 -7.699 1.00 45.01 H new ATOM 0 HG3 GLN A 62 4.336 1.338 -6.523 1.00 45.01 H new ATOM 0 HE21 GLN A 62 2.683 -0.521 -5.369 1.00 52.22 H new ATOM 0 HE22 GLN A 62 3.641 -1.762 -4.554 1.00 52.22 H new ATOM 981 N LYS A 63 1.123 -1.850 -7.319 1.00 42.23 N ATOM 982 CA LYS A 63 -0.229 -2.362 -7.133 1.00 71.31 C ATOM 983 C LYS A 63 -0.363 -3.767 -7.712 1.00 52.15 C ATOM 984 O LYS A 63 -0.779 -3.938 -8.858 1.00 0.11 O ATOM 985 CB LYS A 63 -1.246 -1.428 -7.792 1.00 40.15 C ATOM 986 CG LYS A 63 -2.627 -2.042 -7.944 1.00 11.53 C ATOM 987 CD LYS A 63 -3.712 -0.978 -7.950 1.00 53.13 C ATOM 988 CE LYS A 63 -3.653 -0.129 -9.211 1.00 4.54 C ATOM 989 NZ LYS A 63 -4.464 -0.715 -10.313 1.00 42.34 N ATOM 0 H LYS A 63 1.602 -1.602 -6.453 1.00 42.23 H new ATOM 0 HA LYS A 63 -0.429 -2.408 -6.062 1.00 71.31 H new ATOM 0 HB2 LYS A 63 -1.326 -0.516 -7.200 1.00 40.15 H new ATOM 0 HB3 LYS A 63 -0.876 -1.138 -8.776 1.00 40.15 H new ATOM 0 HG2 LYS A 63 -2.672 -2.614 -8.871 1.00 11.53 H new ATOM 0 HG3 LYS A 63 -2.807 -2.742 -7.128 1.00 11.53 H new ATOM 0 HD2 LYS A 63 -4.690 -1.454 -7.876 1.00 53.13 H new ATOM 0 HD3 LYS A 63 -3.601 -0.339 -7.074 1.00 53.13 H new ATOM 0 HE2 LYS A 63 -4.013 0.876 -8.990 1.00 4.54 H new ATOM 0 HE3 LYS A 63 -2.617 -0.032 -9.535 1.00 4.54 H new ATOM 0 HZ1 LYS A 63 -4.398 -0.107 -11.154 1.00 42.34 H new ATOM 0 HZ2 LYS A 63 -4.104 -1.664 -10.542 1.00 42.34 H new ATOM 0 HZ3 LYS A 63 -5.458 -0.784 -10.014 1.00 42.34 H new ATOM 1003 N GLU A 64 -0.010 -4.768 -6.913 1.00 23.41 N ATOM 1004 CA GLU A 64 -0.092 -6.158 -7.348 1.00 1.32 C ATOM 1005 C GLU A 64 0.812 -6.405 -8.552 1.00 24.43 C ATOM 1006 O GLU A 64 0.604 -7.349 -9.314 1.00 64.11 O ATOM 1007 CB GLU A 64 -1.536 -6.521 -7.698 1.00 34.22 C ATOM 1008 CG GLU A 64 -2.546 -6.078 -6.652 1.00 50.24 C ATOM 1009 CD GLU A 64 -3.621 -7.117 -6.402 1.00 73.21 C ATOM 1010 OE1 GLU A 64 -3.802 -8.003 -7.264 1.00 43.33 O ATOM 1011 OE2 GLU A 64 -4.282 -7.045 -5.345 1.00 73.42 O ATOM 0 H GLU A 64 0.335 -4.643 -5.961 1.00 23.41 H new ATOM 0 HA GLU A 64 0.245 -6.790 -6.526 1.00 1.32 H new ATOM 0 HB2 GLU A 64 -1.794 -6.067 -8.655 1.00 34.22 H new ATOM 0 HB3 GLU A 64 -1.609 -7.601 -7.827 1.00 34.22 H new ATOM 0 HG2 GLU A 64 -2.026 -5.866 -5.718 1.00 50.24 H new ATOM 0 HG3 GLU A 64 -3.013 -5.148 -6.975 1.00 50.24 H new ATOM 1018 N SER A 65 1.817 -5.550 -8.716 1.00 33.21 N ATOM 1019 CA SER A 65 2.751 -5.673 -9.829 1.00 53.30 C ATOM 1020 C SER A 65 3.323 -7.085 -9.905 1.00 53.03 C ATOM 1021 O SER A 65 3.772 -7.641 -8.903 1.00 23.23 O ATOM 1022 CB SER A 65 3.886 -4.658 -9.684 1.00 0.53 C ATOM 1023 OG SER A 65 3.818 -3.668 -10.696 1.00 63.31 O ATOM 0 H SER A 65 2.005 -4.765 -8.092 1.00 33.21 H new ATOM 0 HA SER A 65 2.207 -5.470 -10.752 1.00 53.30 H new ATOM 0 HB2 SER A 65 3.832 -4.185 -8.704 1.00 0.53 H new ATOM 0 HB3 SER A 65 4.846 -5.171 -9.737 1.00 0.53 H new ATOM 0 HG SER A 65 4.049 -4.067 -11.560 1.00 63.31 H new ATOM 1029 N THR A 66 3.303 -7.661 -11.103 1.00 75.04 N ATOM 1030 CA THR A 66 3.817 -9.008 -11.312 1.00 62.44 C ATOM 1031 C THR A 66 5.328 -8.995 -11.512 1.00 44.21 C ATOM 1032 O THR A 66 5.846 -8.272 -12.365 1.00 31.02 O ATOM 1033 CB THR A 66 3.156 -9.680 -12.531 1.00 12.32 C ATOM 1034 OG1 THR A 66 1.738 -9.745 -12.344 1.00 74.13 O ATOM 1035 CG2 THR A 66 3.709 -11.081 -12.744 1.00 5.44 C ATOM 0 H THR A 66 2.936 -7.215 -11.944 1.00 75.04 H new ATOM 0 HA THR A 66 3.576 -9.580 -10.416 1.00 62.44 H new ATOM 0 HB THR A 66 3.380 -9.081 -13.414 1.00 12.32 H new ATOM 0 HG1 THR A 66 1.324 -10.172 -13.123 1.00 74.13 H new ATOM 0 HG21 THR A 66 3.227 -11.535 -13.610 1.00 5.44 H new ATOM 0 HG22 THR A 66 4.784 -11.026 -12.915 1.00 5.44 H new ATOM 0 HG23 THR A 66 3.513 -11.688 -11.860 1.00 5.44 H new ATOM 1043 N LEU A 67 6.032 -9.798 -10.722 1.00 20.11 N ATOM 1044 CA LEU A 67 7.486 -9.879 -10.813 1.00 32.24 C ATOM 1045 C LEU A 67 7.936 -11.314 -11.068 1.00 3.05 C ATOM 1046 O LEU A 67 7.186 -12.262 -10.833 1.00 64.30 O ATOM 1047 CB LEU A 67 8.127 -9.352 -9.528 1.00 12.04 C ATOM 1048 CG LEU A 67 9.546 -8.799 -9.663 1.00 61.43 C ATOM 1049 CD1 LEU A 67 9.742 -7.600 -8.749 1.00 54.22 C ATOM 1050 CD2 LEU A 67 10.571 -9.881 -9.354 1.00 2.30 C ATOM 0 H LEU A 67 5.620 -10.402 -10.011 1.00 20.11 H new ATOM 0 HA LEU A 67 7.808 -9.262 -11.652 1.00 32.24 H new ATOM 0 HB2 LEU A 67 7.489 -8.566 -9.124 1.00 12.04 H new ATOM 0 HB3 LEU A 67 8.141 -10.159 -8.796 1.00 12.04 H new ATOM 0 HG LEU A 67 9.691 -8.472 -10.692 1.00 61.43 H new ATOM 0 HD11 LEU A 67 10.758 -7.221 -8.859 1.00 54.22 H new ATOM 0 HD12 LEU A 67 9.032 -6.818 -9.017 1.00 54.22 H new ATOM 0 HD13 LEU A 67 9.577 -7.901 -7.714 1.00 54.22 H new ATOM 0 HD21 LEU A 67 11.576 -9.470 -9.455 1.00 2.30 H new ATOM 0 HD22 LEU A 67 10.426 -10.239 -8.335 1.00 2.30 H new ATOM 0 HD23 LEU A 67 10.446 -10.710 -10.051 1.00 2.30 H new ATOM 1062 N HIS A 68 9.167 -11.466 -11.547 1.00 74.13 N ATOM 1063 CA HIS A 68 9.719 -12.786 -11.831 1.00 75.14 C ATOM 1064 C HIS A 68 11.029 -13.000 -11.079 1.00 73.45 C ATOM 1065 O HIS A 68 11.996 -12.266 -11.277 1.00 11.52 O ATOM 1066 CB HIS A 68 9.946 -12.954 -13.334 1.00 31.40 C ATOM 1067 CG HIS A 68 8.717 -13.370 -14.083 1.00 23.12 C ATOM 1068 ND1 HIS A 68 8.499 -14.662 -14.513 1.00 0.03 N ATOM 1069 CD2 HIS A 68 7.636 -12.657 -14.476 1.00 45.54 C ATOM 1070 CE1 HIS A 68 7.338 -14.725 -15.140 1.00 0.31 C ATOM 1071 NE2 HIS A 68 6.794 -13.521 -15.131 1.00 62.03 N ATOM 0 H HIS A 68 9.801 -10.692 -11.746 1.00 74.13 H new ATOM 0 HA HIS A 68 9.001 -13.534 -11.494 1.00 75.14 H new ATOM 0 HB2 HIS A 68 10.311 -12.013 -13.745 1.00 31.40 H new ATOM 0 HB3 HIS A 68 10.728 -13.696 -13.494 1.00 31.40 H new ATOM 0 HD2 HIS A 68 7.467 -11.604 -14.306 1.00 45.54 H new ATOM 0 HE1 HIS A 68 6.907 -15.610 -15.584 1.00 0.31 H new ATOM 0 HE2 HIS A 68 5.895 -13.274 -15.544 1.00 62.03 H new ATOM 1079 N MET A 69 11.052 -14.011 -10.217 1.00 33.12 N ATOM 1080 CA MET A 69 12.244 -14.322 -9.436 1.00 15.31 C ATOM 1081 C MET A 69 12.661 -15.775 -9.636 1.00 32.34 C ATOM 1082 O MET A 69 11.816 -16.662 -9.766 1.00 44.42 O ATOM 1083 CB MET A 69 11.992 -14.051 -7.951 1.00 54.45 C ATOM 1084 CG MET A 69 13.241 -14.162 -7.093 1.00 31.02 C ATOM 1085 SD MET A 69 14.426 -12.842 -7.416 1.00 62.35 S ATOM 1086 CE MET A 69 15.960 -13.767 -7.456 1.00 12.24 C ATOM 0 H MET A 69 10.259 -14.629 -10.041 1.00 33.12 H new ATOM 0 HA MET A 69 13.053 -13.679 -9.783 1.00 15.31 H new ATOM 0 HB2 MET A 69 11.572 -13.052 -7.839 1.00 54.45 H new ATOM 0 HB3 MET A 69 11.245 -14.754 -7.583 1.00 54.45 H new ATOM 0 HG2 MET A 69 12.957 -14.141 -6.041 1.00 31.02 H new ATOM 0 HG3 MET A 69 13.718 -15.125 -7.275 1.00 31.02 H new ATOM 0 HE1 MET A 69 16.788 -13.111 -7.185 1.00 12.24 H new ATOM 0 HE2 MET A 69 15.905 -14.593 -6.747 1.00 12.24 H new ATOM 0 HE3 MET A 69 16.122 -14.160 -8.460 1.00 12.24 H new ATOM 1096 N VAL A 70 13.968 -16.013 -9.659 1.00 24.23 N ATOM 1097 CA VAL A 70 14.497 -17.360 -9.842 1.00 4.52 C ATOM 1098 C VAL A 70 15.397 -17.760 -8.678 1.00 14.35 C ATOM 1099 O VAL A 70 16.430 -17.135 -8.433 1.00 72.14 O ATOM 1100 CB VAL A 70 15.294 -17.476 -11.155 1.00 10.21 C ATOM 1101 CG1 VAL A 70 14.357 -17.447 -12.353 1.00 33.15 C ATOM 1102 CG2 VAL A 70 16.328 -16.365 -11.250 1.00 44.52 C ATOM 0 H VAL A 70 14.681 -15.291 -9.553 1.00 24.23 H new ATOM 0 HA VAL A 70 13.641 -18.033 -9.884 1.00 4.52 H new ATOM 0 HB VAL A 70 15.819 -18.431 -11.158 1.00 10.21 H new ATOM 0 HG11 VAL A 70 14.938 -17.530 -13.271 1.00 33.15 H new ATOM 0 HG12 VAL A 70 13.658 -18.281 -12.289 1.00 33.15 H new ATOM 0 HG13 VAL A 70 13.802 -16.509 -12.358 1.00 33.15 H new ATOM 0 HG21 VAL A 70 16.882 -16.462 -12.184 1.00 44.52 H new ATOM 0 HG22 VAL A 70 15.826 -15.398 -11.225 1.00 44.52 H new ATOM 0 HG23 VAL A 70 17.018 -16.437 -10.409 1.00 44.52 H new ATOM 1112 N LEU A 71 14.998 -18.805 -7.961 1.00 73.05 N ATOM 1113 CA LEU A 71 15.768 -19.290 -6.822 1.00 31.44 C ATOM 1114 C LEU A 71 16.510 -20.576 -7.173 1.00 53.03 C ATOM 1115 O LEU A 71 15.998 -21.417 -7.913 1.00 44.31 O ATOM 1116 CB LEU A 71 14.847 -19.531 -5.624 1.00 2.31 C ATOM 1117 CG LEU A 71 13.784 -20.615 -5.802 1.00 14.12 C ATOM 1118 CD1 LEU A 71 14.342 -21.978 -5.422 1.00 52.42 C ATOM 1119 CD2 LEU A 71 12.549 -20.292 -4.972 1.00 62.25 C ATOM 0 H LEU A 71 14.145 -19.332 -8.149 1.00 73.05 H new ATOM 0 HA LEU A 71 16.503 -18.528 -6.561 1.00 31.44 H new ATOM 0 HB2 LEU A 71 15.464 -19.793 -4.764 1.00 2.31 H new ATOM 0 HB3 LEU A 71 14.345 -18.594 -5.383 1.00 2.31 H new ATOM 0 HG LEU A 71 13.495 -20.644 -6.852 1.00 14.12 H new ATOM 0 HD11 LEU A 71 13.571 -22.737 -5.555 1.00 52.42 H new ATOM 0 HD12 LEU A 71 15.195 -22.212 -6.058 1.00 52.42 H new ATOM 0 HD13 LEU A 71 14.660 -21.963 -4.380 1.00 52.42 H new ATOM 0 HD21 LEU A 71 11.803 -21.074 -5.111 1.00 62.25 H new ATOM 0 HD22 LEU A 71 12.823 -20.235 -3.919 1.00 62.25 H new ATOM 0 HD23 LEU A 71 12.136 -19.335 -5.292 1.00 62.25 H new ATOM 1131 N ARG A 72 17.717 -20.722 -6.636 1.00 74.54 N ATOM 1132 CA ARG A 72 18.528 -21.906 -6.893 1.00 22.12 C ATOM 1133 C ARG A 72 18.457 -22.878 -5.719 1.00 25.50 C ATOM 1134 O ARG A 72 18.850 -22.547 -4.599 1.00 52.34 O ATOM 1135 CB ARG A 72 19.982 -21.507 -7.152 1.00 22.34 C ATOM 1136 CG ARG A 72 20.848 -22.652 -7.653 1.00 12.23 C ATOM 1137 CD ARG A 72 20.506 -23.022 -9.088 1.00 3.43 C ATOM 1138 NE ARG A 72 21.285 -22.249 -10.052 1.00 12.00 N ATOM 1139 CZ ARG A 72 22.558 -22.498 -10.336 1.00 4.40 C ATOM 1140 NH1 ARG A 72 23.193 -23.493 -9.733 1.00 25.11 N ATOM 1141 NH2 ARG A 72 23.199 -21.750 -11.225 1.00 63.04 N ATOM 0 H ARG A 72 18.154 -20.036 -6.021 1.00 74.54 H new ATOM 0 HA ARG A 72 18.132 -22.403 -7.778 1.00 22.12 H new ATOM 0 HB2 ARG A 72 20.003 -20.699 -7.884 1.00 22.34 H new ATOM 0 HB3 ARG A 72 20.412 -21.114 -6.231 1.00 22.34 H new ATOM 0 HG2 ARG A 72 21.899 -22.370 -7.589 1.00 12.23 H new ATOM 0 HG3 ARG A 72 20.712 -23.521 -7.010 1.00 12.23 H new ATOM 0 HD2 ARG A 72 20.690 -24.085 -9.242 1.00 3.43 H new ATOM 0 HD3 ARG A 72 19.443 -22.854 -9.262 1.00 3.43 H new ATOM 0 HE ARG A 72 20.826 -21.476 -10.533 1.00 12.00 H new ATOM 0 HH11 ARG A 72 22.704 -24.070 -9.049 1.00 25.11 H new ATOM 0 HH12 ARG A 72 24.171 -23.682 -9.953 1.00 25.11 H new ATOM 0 HH21 ARG A 72 22.714 -20.983 -11.691 1.00 63.04 H new ATOM 0 HH22 ARG A 72 24.177 -21.942 -11.443 1.00 63.04 H new ATOM 1155 N LEU A 73 17.955 -24.080 -5.982 1.00 54.40 N ATOM 1156 CA LEU A 73 17.832 -25.101 -4.948 1.00 13.14 C ATOM 1157 C LEU A 73 19.197 -25.457 -4.369 1.00 3.33 C ATOM 1158 O LEU A 73 20.195 -25.500 -5.088 1.00 44.31 O ATOM 1159 CB LEU A 73 17.164 -26.354 -5.517 1.00 44.12 C ATOM 1160 CG LEU A 73 15.720 -26.189 -5.990 1.00 14.00 C ATOM 1161 CD1 LEU A 73 15.680 -25.792 -7.457 1.00 42.34 C ATOM 1162 CD2 LEU A 73 14.934 -27.472 -5.762 1.00 31.04 C ATOM 0 H LEU A 73 17.627 -24.371 -6.903 1.00 54.40 H new ATOM 0 HA LEU A 73 17.212 -24.698 -4.147 1.00 13.14 H new ATOM 0 HB2 LEU A 73 17.761 -26.711 -6.356 1.00 44.12 H new ATOM 0 HB3 LEU A 73 17.189 -27.133 -4.755 1.00 44.12 H new ATOM 0 HG LEU A 73 15.256 -25.393 -5.407 1.00 14.00 H new ATOM 0 HD11 LEU A 73 14.644 -25.679 -7.775 1.00 42.34 H new ATOM 0 HD12 LEU A 73 16.206 -24.847 -7.593 1.00 42.34 H new ATOM 0 HD13 LEU A 73 16.162 -26.565 -8.056 1.00 42.34 H new ATOM 0 HD21 LEU A 73 13.908 -27.336 -6.105 1.00 31.04 H new ATOM 0 HD22 LEU A 73 15.398 -28.286 -6.319 1.00 31.04 H new ATOM 0 HD23 LEU A 73 14.932 -27.714 -4.699 1.00 31.04 H new ATOM 1174 N ARG A 74 19.233 -25.713 -3.065 1.00 41.11 N ATOM 1175 CA ARG A 74 20.476 -26.066 -2.390 1.00 31.22 C ATOM 1176 C ARG A 74 21.032 -27.381 -2.928 1.00 63.10 C ATOM 1177 O ARG A 74 22.243 -27.541 -3.075 1.00 3.23 O ATOM 1178 CB ARG A 74 20.248 -26.176 -0.881 1.00 71.10 C ATOM 1179 CG ARG A 74 21.473 -26.643 -0.112 1.00 43.23 C ATOM 1180 CD ARG A 74 21.160 -26.854 1.361 1.00 51.23 C ATOM 1181 NE ARG A 74 20.045 -27.777 1.556 1.00 25.14 N ATOM 1182 CZ ARG A 74 19.555 -28.095 2.749 1.00 11.43 C ATOM 1183 NH1 ARG A 74 20.077 -27.565 3.847 1.00 65.31 N ATOM 1184 NH2 ARG A 74 18.539 -28.943 2.846 1.00 40.30 N ATOM 0 H ARG A 74 18.416 -25.682 -2.455 1.00 41.11 H new ATOM 0 HA ARG A 74 21.203 -25.277 -2.585 1.00 31.22 H new ATOM 0 HB2 ARG A 74 19.937 -25.204 -0.497 1.00 71.10 H new ATOM 0 HB3 ARG A 74 19.427 -26.869 -0.696 1.00 71.10 H new ATOM 0 HG2 ARG A 74 21.842 -27.574 -0.544 1.00 43.23 H new ATOM 0 HG3 ARG A 74 22.270 -25.907 -0.214 1.00 43.23 H new ATOM 0 HD2 ARG A 74 22.044 -27.241 1.868 1.00 51.23 H new ATOM 0 HD3 ARG A 74 20.922 -25.895 1.822 1.00 51.23 H new ATOM 0 HE ARG A 74 19.619 -28.200 0.731 1.00 25.14 H new ATOM 0 HH11 ARG A 74 20.857 -26.911 3.777 1.00 65.31 H new ATOM 0 HH12 ARG A 74 19.699 -27.811 4.762 1.00 65.31 H new ATOM 0 HH21 ARG A 74 18.133 -29.351 2.004 1.00 40.30 H new ATOM 0 HH22 ARG A 74 18.164 -29.186 3.763 1.00 40.30 H new ATOM 1198 N GLY A 75 20.138 -28.321 -3.220 1.00 41.02 N ATOM 1199 CA GLY A 75 20.559 -29.610 -3.738 1.00 12.30 C ATOM 1200 C GLY A 75 19.973 -30.768 -2.955 1.00 64.21 C ATOM 1201 O GLY A 75 19.792 -30.678 -1.742 1.00 10.03 O ATOM 0 H GLY A 75 19.130 -28.213 -3.107 1.00 41.02 H new ATOM 0 HA2 GLY A 75 20.260 -29.694 -4.783 1.00 12.30 H new ATOM 0 HA3 GLY A 75 21.647 -29.671 -3.712 1.00 12.30 H new ATOM 1205 N GLY A 76 19.675 -31.861 -3.652 1.00 10.22 N ATOM 1206 CA GLY A 76 19.108 -33.026 -2.998 1.00 12.41 C ATOM 1207 C GLY A 76 18.172 -33.801 -3.904 1.00 62.10 C ATOM 1208 O GLY A 76 18.405 -33.901 -5.109 1.00 2.24 O ATOM 0 H GLY A 76 19.816 -31.960 -4.657 1.00 10.22 H new ATOM 0 HA2 GLY A 76 19.914 -33.681 -2.667 1.00 12.41 H new ATOM 0 HA3 GLY A 76 18.567 -32.711 -2.106 1.00 12.41 H new TER 1212 GLY A 76