USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 701 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.523 (180deg=0.126) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 4 THR OG1 : rot 140:sc= -1.22 USER MOD Single : A 5 TYR OH : rot 180:sc=-0.00292 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0952) USER MOD Single : A 23 MET CE :methyl -139:sc= -5.55 (180deg=-15.6!) USER MOD Single : A 26 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -49:sc= 0.823 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-5.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 58 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.053) USER MOD Single : A 59 THR OG1 : rot 80:sc= -1.01 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.55! C(o=-6.5!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.0262 X(o=0.026,f=-0.012) USER MOD Single : A 84 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.1!) USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= -0.102 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.176 -1.517 -1.610 1.00 25.54 N ATOM 2 CA MET A 1 2.670 -1.355 -2.972 1.00 42.21 C ATOM 3 C MET A 1 2.559 0.099 -3.421 1.00 33.12 C ATOM 4 O MET A 1 2.412 0.382 -4.609 1.00 62.34 O ATOM 5 CB MET A 1 1.891 -2.258 -3.931 1.00 5.33 C ATOM 6 CG MET A 1 1.937 -3.729 -3.552 1.00 23.12 C ATOM 7 SD MET A 1 0.296 -4.439 -3.325 1.00 35.32 S ATOM 8 CE MET A 1 -0.031 -5.071 -4.969 1.00 4.40 C ATOM 0 H1 MET A 1 1.650 -2.411 -1.536 1.00 25.54 H new ATOM 0 H2 MET A 1 2.979 -1.532 -0.949 1.00 25.54 H new ATOM 0 H3 MET A 1 1.546 -0.724 -1.372 1.00 25.54 H new ATOM 0 HA MET A 1 3.721 -1.642 -2.987 1.00 42.21 H new ATOM 0 HB2 MET A 1 0.852 -1.931 -3.961 1.00 5.33 H new ATOM 0 HB3 MET A 1 2.292 -2.138 -4.937 1.00 5.33 H new ATOM 0 HG2 MET A 1 2.465 -4.284 -4.328 1.00 23.12 H new ATOM 0 HG3 MET A 1 2.509 -3.845 -2.632 1.00 23.12 H new ATOM 0 HE1 MET A 1 -1.014 -5.542 -4.989 1.00 4.40 H new ATOM 0 HE2 MET A 1 -0.007 -4.250 -5.686 1.00 4.40 H new ATOM 0 HE3 MET A 1 0.729 -5.806 -5.234 1.00 4.40 H new ATOM 18 N ALA A 2 2.629 1.016 -2.462 1.00 13.50 N ATOM 19 CA ALA A 2 2.537 2.440 -2.759 1.00 44.53 C ATOM 20 C ALA A 2 3.666 2.882 -3.685 1.00 70.51 C ATOM 21 O ALA A 2 3.590 3.937 -4.316 1.00 31.51 O ATOM 22 CB ALA A 2 2.561 3.251 -1.472 1.00 10.01 C ATOM 0 H ALA A 2 2.749 0.798 -1.473 1.00 13.50 H new ATOM 0 HA ALA A 2 1.591 2.618 -3.270 1.00 44.53 H new ATOM 0 HB1 ALA A 2 2.492 4.313 -1.710 1.00 10.01 H new ATOM 0 HB2 ALA A 2 1.717 2.964 -0.845 1.00 10.01 H new ATOM 0 HB3 ALA A 2 3.492 3.059 -0.938 1.00 10.01 H new ATOM 28 N THR A 3 4.714 2.068 -3.762 1.00 64.42 N ATOM 29 CA THR A 3 5.860 2.375 -4.609 1.00 72.23 C ATOM 30 C THR A 3 5.415 2.788 -6.007 1.00 55.04 C ATOM 31 O THR A 3 5.635 3.923 -6.431 1.00 13.42 O ATOM 32 CB THR A 3 6.814 1.171 -4.722 1.00 23.03 C ATOM 33 OG1 THR A 3 6.081 -0.051 -4.581 1.00 13.33 O ATOM 34 CG2 THR A 3 7.901 1.241 -3.660 1.00 2.22 C ATOM 0 H THR A 3 4.793 1.191 -3.248 1.00 64.42 H new ATOM 0 HA THR A 3 6.388 3.204 -4.138 1.00 72.23 H new ATOM 0 HB THR A 3 7.285 1.200 -5.705 1.00 23.03 H new ATOM 0 HG1 THR A 3 6.695 -0.811 -4.656 1.00 13.33 H new ATOM 0 HG21 THR A 3 8.563 0.381 -3.759 1.00 2.22 H new ATOM 0 HG22 THR A 3 8.476 2.158 -3.788 1.00 2.22 H new ATOM 0 HG23 THR A 3 7.444 1.235 -2.671 1.00 2.22 H new ATOM 42 N THR A 4 4.786 1.860 -6.722 1.00 33.21 N ATOM 43 CA THR A 4 4.310 2.128 -8.073 1.00 74.40 C ATOM 44 C THR A 4 3.558 3.452 -8.139 1.00 2.33 C ATOM 45 O THR A 4 3.701 4.211 -9.098 1.00 1.34 O ATOM 46 CB THR A 4 3.387 1.002 -8.577 1.00 62.31 C ATOM 47 OG1 THR A 4 3.485 -0.136 -7.713 1.00 13.45 O ATOM 48 CG2 THR A 4 3.753 0.598 -9.998 1.00 34.04 C ATOM 0 H THR A 4 4.595 0.916 -6.387 1.00 33.21 H new ATOM 0 HA THR A 4 5.191 2.181 -8.713 1.00 74.40 H new ATOM 0 HB THR A 4 2.362 1.374 -8.573 1.00 62.31 H new ATOM 0 HG1 THR A 4 2.595 -0.526 -7.584 1.00 13.45 H new ATOM 0 HG21 THR A 4 3.088 -0.198 -10.333 1.00 34.04 H new ATOM 0 HG22 THR A 4 3.650 1.459 -10.659 1.00 34.04 H new ATOM 0 HG23 THR A 4 4.784 0.244 -10.022 1.00 34.04 H new ATOM 56 N TYR A 5 2.758 3.725 -7.114 1.00 23.42 N ATOM 57 CA TYR A 5 1.983 4.958 -7.056 1.00 73.03 C ATOM 58 C TYR A 5 2.893 6.165 -6.855 1.00 3.33 C ATOM 59 O TYR A 5 2.719 7.201 -7.496 1.00 10.14 O ATOM 60 CB TYR A 5 0.955 4.886 -5.926 1.00 55.30 C ATOM 61 CG TYR A 5 -0.009 3.728 -6.056 1.00 42.23 C ATOM 62 CD1 TYR A 5 0.343 2.455 -5.626 1.00 65.45 C ATOM 63 CD2 TYR A 5 -1.270 3.907 -6.610 1.00 34.11 C ATOM 64 CE1 TYR A 5 -0.533 1.393 -5.744 1.00 41.10 C ATOM 65 CE2 TYR A 5 -2.154 2.852 -6.730 1.00 22.20 C ATOM 66 CZ TYR A 5 -1.780 1.597 -6.296 1.00 35.11 C ATOM 67 OH TYR A 5 -2.657 0.543 -6.415 1.00 71.12 O ATOM 0 H TYR A 5 2.630 3.108 -6.312 1.00 23.42 H new ATOM 0 HA TYR A 5 1.461 5.074 -8.006 1.00 73.03 H new ATOM 0 HB2 TYR A 5 1.479 4.806 -4.974 1.00 55.30 H new ATOM 0 HB3 TYR A 5 0.389 5.817 -5.901 1.00 55.30 H new ATOM 0 HD1 TYR A 5 1.318 2.292 -5.192 1.00 65.45 H new ATOM 0 HD2 TYR A 5 -1.565 4.888 -6.953 1.00 34.11 H new ATOM 0 HE1 TYR A 5 -0.243 0.409 -5.406 1.00 41.10 H new ATOM 0 HE2 TYR A 5 -3.132 3.009 -7.161 1.00 22.20 H new ATOM 0 HH TYR A 5 -3.491 0.856 -6.823 1.00 71.12 H new ATOM 77 N GLU A 6 3.866 6.022 -5.959 1.00 54.15 N ATOM 78 CA GLU A 6 4.804 7.101 -5.673 1.00 21.32 C ATOM 79 C GLU A 6 5.751 7.325 -6.848 1.00 71.24 C ATOM 80 O GLU A 6 6.347 8.393 -6.983 1.00 20.21 O ATOM 81 CB GLU A 6 5.608 6.785 -4.410 1.00 13.14 C ATOM 82 CG GLU A 6 6.072 8.022 -3.659 1.00 32.13 C ATOM 83 CD GLU A 6 7.415 7.825 -2.984 1.00 22.45 C ATOM 84 OE1 GLU A 6 7.509 6.953 -2.094 1.00 61.21 O ATOM 85 OE2 GLU A 6 8.372 8.541 -3.344 1.00 11.51 O ATOM 0 H GLU A 6 4.024 5.171 -5.420 1.00 54.15 H new ATOM 0 HA GLU A 6 4.230 8.014 -5.512 1.00 21.32 H new ATOM 0 HB2 GLU A 6 4.998 6.174 -3.745 1.00 13.14 H new ATOM 0 HB3 GLU A 6 6.478 6.188 -4.683 1.00 13.14 H new ATOM 0 HG2 GLU A 6 6.138 8.860 -4.353 1.00 32.13 H new ATOM 0 HG3 GLU A 6 5.328 8.287 -2.908 1.00 32.13 H new ATOM 92 N GLU A 7 5.883 6.309 -7.696 1.00 5.21 N ATOM 93 CA GLU A 7 6.759 6.395 -8.859 1.00 53.11 C ATOM 94 C GLU A 7 6.007 6.950 -10.066 1.00 21.42 C ATOM 95 O GLU A 7 6.564 7.700 -10.867 1.00 2.41 O ATOM 96 CB GLU A 7 7.337 5.018 -9.193 1.00 14.20 C ATOM 97 CG GLU A 7 8.604 5.076 -10.029 1.00 52.54 C ATOM 98 CD GLU A 7 9.657 4.091 -9.562 1.00 70.42 C ATOM 99 OE1 GLU A 7 9.818 3.933 -8.334 1.00 12.03 O ATOM 100 OE2 GLU A 7 10.320 3.477 -10.424 1.00 42.21 O ATOM 0 H GLU A 7 5.395 5.418 -7.600 1.00 5.21 H new ATOM 0 HA GLU A 7 7.576 7.075 -8.617 1.00 53.11 H new ATOM 0 HB2 GLU A 7 7.548 4.487 -8.265 1.00 14.20 H new ATOM 0 HB3 GLU A 7 6.585 4.438 -9.728 1.00 14.20 H new ATOM 0 HG2 GLU A 7 8.357 4.871 -11.071 1.00 52.54 H new ATOM 0 HG3 GLU A 7 9.014 6.085 -9.991 1.00 52.54 H new ATOM 107 N PHE A 8 4.738 6.574 -10.189 1.00 64.31 N ATOM 108 CA PHE A 8 3.910 7.031 -11.298 1.00 52.34 C ATOM 109 C PHE A 8 3.356 8.427 -11.024 1.00 63.42 C ATOM 110 O PHE A 8 3.278 9.263 -11.924 1.00 30.32 O ATOM 111 CB PHE A 8 2.759 6.052 -11.541 1.00 1.51 C ATOM 112 CG PHE A 8 3.025 5.079 -12.653 1.00 72.31 C ATOM 113 CD1 PHE A 8 2.176 5.006 -13.746 1.00 1.22 C ATOM 114 CD2 PHE A 8 4.123 4.235 -12.606 1.00 1.25 C ATOM 115 CE1 PHE A 8 2.418 4.111 -14.771 1.00 51.43 C ATOM 116 CE2 PHE A 8 4.370 3.339 -13.628 1.00 62.11 C ATOM 117 CZ PHE A 8 3.516 3.276 -14.712 1.00 30.04 C ATOM 0 H PHE A 8 4.261 5.954 -9.534 1.00 64.31 H new ATOM 0 HA PHE A 8 4.534 7.075 -12.190 1.00 52.34 H new ATOM 0 HB2 PHE A 8 2.564 5.498 -10.623 1.00 1.51 H new ATOM 0 HB3 PHE A 8 1.855 6.616 -11.771 1.00 1.51 H new ATOM 0 HD1 PHE A 8 1.315 5.656 -13.797 1.00 1.22 H new ATOM 0 HD2 PHE A 8 4.794 4.278 -11.760 1.00 1.25 H new ATOM 0 HE1 PHE A 8 1.749 4.065 -15.617 1.00 51.43 H new ATOM 0 HE2 PHE A 8 5.230 2.688 -13.580 1.00 62.11 H new ATOM 0 HZ PHE A 8 3.707 2.575 -15.511 1.00 30.04 H new ATOM 127 N ALA A 9 2.973 8.670 -9.775 1.00 62.30 N ATOM 128 CA ALA A 9 2.428 9.963 -9.381 1.00 64.01 C ATOM 129 C ALA A 9 3.480 11.061 -9.498 1.00 65.40 C ATOM 130 O ALA A 9 3.151 12.244 -9.568 1.00 1.24 O ATOM 131 CB ALA A 9 1.887 9.897 -7.961 1.00 2.14 C ATOM 0 H ALA A 9 3.030 7.988 -9.019 1.00 62.30 H new ATOM 0 HA ALA A 9 1.610 10.206 -10.059 1.00 64.01 H new ATOM 0 HB1 ALA A 9 1.483 10.870 -7.680 1.00 2.14 H new ATOM 0 HB2 ALA A 9 1.098 9.147 -7.907 1.00 2.14 H new ATOM 0 HB3 ALA A 9 2.692 9.627 -7.277 1.00 2.14 H new ATOM 137 N ALA A 10 4.747 10.660 -9.518 1.00 64.44 N ATOM 138 CA ALA A 10 5.848 11.609 -9.628 1.00 54.51 C ATOM 139 C ALA A 10 6.193 11.883 -11.088 1.00 0.10 C ATOM 140 O ALA A 10 6.625 12.981 -11.439 1.00 43.05 O ATOM 141 CB ALA A 10 7.069 11.091 -8.883 1.00 13.20 C ATOM 0 H ALA A 10 5.036 9.684 -9.459 1.00 64.44 H new ATOM 0 HA ALA A 10 5.532 12.548 -9.174 1.00 54.51 H new ATOM 0 HB1 ALA A 10 7.883 11.810 -8.974 1.00 13.20 H new ATOM 0 HB2 ALA A 10 6.822 10.954 -7.830 1.00 13.20 H new ATOM 0 HB3 ALA A 10 7.378 10.137 -9.310 1.00 13.20 H new ATOM 147 N LYS A 11 6.001 10.878 -11.935 1.00 75.31 N ATOM 148 CA LYS A 11 6.291 11.009 -13.358 1.00 10.11 C ATOM 149 C LYS A 11 5.080 11.548 -14.113 1.00 1.11 C ATOM 150 O LYS A 11 5.222 12.228 -15.130 1.00 2.30 O ATOM 151 CB LYS A 11 6.709 9.657 -13.941 1.00 54.31 C ATOM 152 CG LYS A 11 7.515 9.771 -15.223 1.00 74.05 C ATOM 153 CD LYS A 11 8.906 10.322 -14.961 1.00 11.44 C ATOM 154 CE LYS A 11 9.333 11.299 -16.046 1.00 33.21 C ATOM 155 NZ LYS A 11 9.642 10.604 -17.326 1.00 41.34 N ATOM 0 H LYS A 11 5.645 9.962 -11.660 1.00 75.31 H new ATOM 0 HA LYS A 11 7.112 11.716 -13.472 1.00 10.11 H new ATOM 0 HB2 LYS A 11 7.297 9.117 -13.199 1.00 54.31 H new ATOM 0 HB3 LYS A 11 5.816 9.063 -14.135 1.00 54.31 H new ATOM 0 HG2 LYS A 11 7.594 8.790 -15.692 1.00 74.05 H new ATOM 0 HG3 LYS A 11 6.992 10.420 -15.926 1.00 74.05 H new ATOM 0 HD2 LYS A 11 8.924 10.822 -13.993 1.00 11.44 H new ATOM 0 HD3 LYS A 11 9.620 9.500 -14.909 1.00 11.44 H new ATOM 0 HE2 LYS A 11 8.540 12.028 -16.211 1.00 33.21 H new ATOM 0 HE3 LYS A 11 10.211 11.852 -15.712 1.00 33.21 H new ATOM 0 HZ1 LYS A 11 9.929 11.303 -18.040 1.00 41.34 H new ATOM 0 HZ2 LYS A 11 10.416 9.926 -17.175 1.00 41.34 H new ATOM 0 HZ3 LYS A 11 8.797 10.097 -17.658 1.00 41.34 H new ATOM 169 N LEU A 12 3.890 11.242 -13.609 1.00 30.43 N ATOM 170 CA LEU A 12 2.654 11.697 -14.235 1.00 35.11 C ATOM 171 C LEU A 12 2.313 13.118 -13.798 1.00 0.12 C ATOM 172 O LEU A 12 1.622 13.848 -14.509 1.00 0.12 O ATOM 173 CB LEU A 12 1.503 10.753 -13.882 1.00 55.12 C ATOM 174 CG LEU A 12 1.393 9.483 -14.727 1.00 10.31 C ATOM 175 CD1 LEU A 12 1.359 8.251 -13.836 1.00 51.03 C ATOM 176 CD2 LEU A 12 0.157 9.537 -15.613 1.00 42.22 C ATOM 0 H LEU A 12 3.755 10.680 -12.768 1.00 30.43 H new ATOM 0 HA LEU A 12 2.800 11.694 -15.315 1.00 35.11 H new ATOM 0 HB2 LEU A 12 1.606 10.462 -12.837 1.00 55.12 H new ATOM 0 HB3 LEU A 12 0.567 11.305 -13.969 1.00 55.12 H new ATOM 0 HG LEU A 12 2.272 9.419 -15.368 1.00 10.31 H new ATOM 0 HD11 LEU A 12 1.281 7.357 -14.454 1.00 51.03 H new ATOM 0 HD12 LEU A 12 2.274 8.204 -13.245 1.00 51.03 H new ATOM 0 HD13 LEU A 12 0.498 8.308 -13.169 1.00 51.03 H new ATOM 0 HD21 LEU A 12 0.095 8.625 -16.207 1.00 42.22 H new ATOM 0 HD22 LEU A 12 -0.733 9.626 -14.990 1.00 42.22 H new ATOM 0 HD23 LEU A 12 0.223 10.399 -16.277 1.00 42.22 H new ATOM 188 N ASP A 13 2.804 13.505 -12.626 1.00 21.44 N ATOM 189 CA ASP A 13 2.555 14.840 -12.095 1.00 32.20 C ATOM 190 C ASP A 13 3.083 15.910 -13.046 1.00 32.34 C ATOM 191 O ASP A 13 2.717 17.081 -12.943 1.00 30.33 O ATOM 192 CB ASP A 13 3.206 14.995 -10.720 1.00 4.20 C ATOM 193 CG ASP A 13 2.189 15.018 -9.596 1.00 71.33 C ATOM 194 OD1 ASP A 13 1.073 15.534 -9.816 1.00 41.30 O ATOM 195 OD2 ASP A 13 2.508 14.518 -8.498 1.00 31.24 O ATOM 0 H ASP A 13 3.377 12.913 -12.025 1.00 21.44 H new ATOM 0 HA ASP A 13 1.477 14.969 -11.994 1.00 32.20 H new ATOM 0 HB2 ASP A 13 3.904 14.174 -10.557 1.00 4.20 H new ATOM 0 HB3 ASP A 13 3.787 15.917 -10.699 1.00 4.20 H new ATOM 200 N ARG A 14 3.945 15.499 -13.970 1.00 4.43 N ATOM 201 CA ARG A 14 4.526 16.423 -14.937 1.00 55.11 C ATOM 202 C ARG A 14 3.837 16.294 -16.293 1.00 31.04 C ATOM 203 O ARG A 14 4.174 17.003 -17.242 1.00 73.21 O ATOM 204 CB ARG A 14 6.025 16.162 -15.088 1.00 22.41 C ATOM 205 CG ARG A 14 6.895 17.319 -14.624 1.00 71.24 C ATOM 206 CD ARG A 14 8.016 16.843 -13.714 1.00 44.13 C ATOM 207 NE ARG A 14 7.516 16.391 -12.419 1.00 14.10 N ATOM 208 CZ ARG A 14 8.277 15.808 -11.500 1.00 33.23 C ATOM 209 NH1 ARG A 14 9.567 15.607 -11.732 1.00 54.31 N ATOM 210 NH2 ARG A 14 7.748 15.424 -10.345 1.00 12.22 N ATOM 0 H ARG A 14 4.256 14.533 -14.070 1.00 4.43 H new ATOM 0 HA ARG A 14 4.377 17.437 -14.567 1.00 55.11 H new ATOM 0 HB2 ARG A 14 6.289 15.270 -14.520 1.00 22.41 H new ATOM 0 HB3 ARG A 14 6.245 15.950 -16.134 1.00 22.41 H new ATOM 0 HG2 ARG A 14 7.319 17.827 -15.490 1.00 71.24 H new ATOM 0 HG3 ARG A 14 6.281 18.048 -14.096 1.00 71.24 H new ATOM 0 HD2 ARG A 14 8.555 16.029 -14.199 1.00 44.13 H new ATOM 0 HD3 ARG A 14 8.730 17.653 -13.564 1.00 44.13 H new ATOM 0 HE ARG A 14 6.528 16.531 -12.208 1.00 14.10 H new ATOM 0 HH11 ARG A 14 9.978 15.900 -12.618 1.00 54.31 H new ATOM 0 HH12 ARG A 14 10.149 15.159 -11.024 1.00 54.31 H new ATOM 0 HH21 ARG A 14 6.756 15.577 -10.163 1.00 12.22 H new ATOM 0 HH22 ARG A 14 8.333 14.976 -9.640 1.00 12.22 H new ATOM 224 N LEU A 15 2.872 15.385 -16.376 1.00 31.12 N ATOM 225 CA LEU A 15 2.136 15.162 -17.615 1.00 74.03 C ATOM 226 C LEU A 15 0.670 15.555 -17.456 1.00 63.34 C ATOM 227 O LEU A 15 0.089 16.193 -18.335 1.00 25.43 O ATOM 228 CB LEU A 15 2.239 13.695 -18.037 1.00 4.15 C ATOM 229 CG LEU A 15 3.556 12.992 -17.703 1.00 12.45 C ATOM 230 CD1 LEU A 15 3.576 11.589 -18.289 1.00 52.51 C ATOM 231 CD2 LEU A 15 4.738 13.803 -18.214 1.00 12.13 C ATOM 0 H LEU A 15 2.581 14.790 -15.600 1.00 31.12 H new ATOM 0 HA LEU A 15 2.580 15.788 -18.389 1.00 74.03 H new ATOM 0 HB2 LEU A 15 1.426 13.144 -17.565 1.00 4.15 H new ATOM 0 HB3 LEU A 15 2.081 13.635 -19.114 1.00 4.15 H new ATOM 0 HG LEU A 15 3.638 12.911 -16.619 1.00 12.45 H new ATOM 0 HD11 LEU A 15 4.520 11.105 -18.041 1.00 52.51 H new ATOM 0 HD12 LEU A 15 2.751 11.010 -17.874 1.00 52.51 H new ATOM 0 HD13 LEU A 15 3.471 11.646 -19.372 1.00 52.51 H new ATOM 0 HD21 LEU A 15 5.666 13.288 -17.968 1.00 12.13 H new ATOM 0 HD22 LEU A 15 4.662 13.916 -19.295 1.00 12.13 H new ATOM 0 HD23 LEU A 15 4.734 14.787 -17.745 1.00 12.13 H new ATOM 243 N ASP A 16 0.079 15.171 -16.330 1.00 44.50 N ATOM 244 CA ASP A 16 -1.317 15.486 -16.054 1.00 15.30 C ATOM 245 C ASP A 16 -2.206 15.092 -17.229 1.00 71.35 C ATOM 246 O ASP A 16 -3.192 15.765 -17.529 1.00 5.22 O ATOM 247 CB ASP A 16 -1.477 16.978 -15.756 1.00 50.13 C ATOM 248 CG ASP A 16 -0.536 17.455 -14.668 1.00 3.11 C ATOM 249 OD1 ASP A 16 -0.483 16.806 -13.602 1.00 1.00 O ATOM 250 OD2 ASP A 16 0.149 18.477 -14.882 1.00 40.02 O ATOM 0 H ASP A 16 0.545 14.641 -15.594 1.00 44.50 H new ATOM 0 HA ASP A 16 -1.626 14.913 -15.179 1.00 15.30 H new ATOM 0 HB2 ASP A 16 -1.294 17.549 -16.666 1.00 50.13 H new ATOM 0 HB3 ASP A 16 -2.506 17.177 -15.456 1.00 50.13 H new ATOM 255 N ALA A 17 -1.850 13.997 -17.893 1.00 24.54 N ATOM 256 CA ALA A 17 -2.615 13.512 -19.035 1.00 21.25 C ATOM 257 C ALA A 17 -3.527 12.357 -18.634 1.00 0.30 C ATOM 258 O ALA A 17 -4.749 12.453 -18.746 1.00 24.51 O ATOM 259 CB ALA A 17 -1.678 13.083 -20.154 1.00 60.00 C ATOM 0 H ALA A 17 -1.036 13.429 -17.659 1.00 24.54 H new ATOM 0 HA ALA A 17 -3.242 14.328 -19.394 1.00 21.25 H new ATOM 0 HB1 ALA A 17 -2.263 12.723 -21.000 1.00 60.00 H new ATOM 0 HB2 ALA A 17 -1.072 13.933 -20.467 1.00 60.00 H new ATOM 0 HB3 ALA A 17 -1.027 12.285 -19.797 1.00 60.00 H new ATOM 265 N GLU A 18 -2.925 11.268 -18.168 1.00 22.33 N ATOM 266 CA GLU A 18 -3.684 10.094 -17.752 1.00 55.43 C ATOM 267 C GLU A 18 -4.143 10.228 -16.303 1.00 1.20 C ATOM 268 O GLU A 18 -5.340 10.228 -16.016 1.00 52.23 O ATOM 269 CB GLU A 18 -2.841 8.828 -17.917 1.00 40.52 C ATOM 270 CG GLU A 18 -3.449 7.602 -17.257 1.00 45.03 C ATOM 271 CD GLU A 18 -2.430 6.505 -17.015 1.00 50.11 C ATOM 272 OE1 GLU A 18 -2.524 5.452 -17.680 1.00 32.23 O ATOM 273 OE2 GLU A 18 -1.540 6.699 -16.162 1.00 4.34 O ATOM 0 H GLU A 18 -1.914 11.174 -18.069 1.00 22.33 H new ATOM 0 HA GLU A 18 -4.566 10.019 -18.389 1.00 55.43 H new ATOM 0 HB2 GLU A 18 -2.705 8.628 -18.980 1.00 40.52 H new ATOM 0 HB3 GLU A 18 -1.851 9.003 -17.496 1.00 40.52 H new ATOM 0 HG2 GLU A 18 -3.899 7.891 -16.307 1.00 45.03 H new ATOM 0 HG3 GLU A 18 -4.251 7.216 -17.886 1.00 45.03 H new ATOM 280 N PHE A 19 -3.181 10.341 -15.393 1.00 14.34 N ATOM 281 CA PHE A 19 -3.485 10.474 -13.972 1.00 40.25 C ATOM 282 C PHE A 19 -4.520 11.570 -13.738 1.00 14.11 C ATOM 283 O PHE A 19 -5.554 11.338 -13.112 1.00 54.22 O ATOM 284 CB PHE A 19 -2.211 10.783 -13.184 1.00 1.34 C ATOM 285 CG PHE A 19 -1.692 9.612 -12.400 1.00 63.44 C ATOM 286 CD1 PHE A 19 -1.208 9.781 -11.113 1.00 42.52 C ATOM 287 CD2 PHE A 19 -1.687 8.340 -12.952 1.00 0.45 C ATOM 288 CE1 PHE A 19 -0.730 8.705 -10.390 1.00 4.35 C ATOM 289 CE2 PHE A 19 -1.210 7.260 -12.233 1.00 15.54 C ATOM 290 CZ PHE A 19 -0.730 7.443 -10.951 1.00 11.35 C ATOM 0 H PHE A 19 -2.185 10.343 -15.613 1.00 14.34 H new ATOM 0 HA PHE A 19 -3.899 9.528 -13.624 1.00 40.25 H new ATOM 0 HB2 PHE A 19 -1.438 11.118 -13.876 1.00 1.34 H new ATOM 0 HB3 PHE A 19 -2.407 11.609 -12.501 1.00 1.34 H new ATOM 0 HD1 PHE A 19 -1.204 10.766 -10.669 1.00 42.52 H new ATOM 0 HD2 PHE A 19 -2.060 8.191 -13.955 1.00 0.45 H new ATOM 0 HE1 PHE A 19 -0.357 8.851 -9.387 1.00 4.35 H new ATOM 0 HE2 PHE A 19 -1.213 6.274 -12.673 1.00 15.54 H new ATOM 0 HZ PHE A 19 -0.355 6.601 -10.388 1.00 11.35 H new ATOM 300 N ALA A 20 -4.234 12.765 -14.244 1.00 64.02 N ATOM 301 CA ALA A 20 -5.139 13.897 -14.092 1.00 34.33 C ATOM 302 C ALA A 20 -6.508 13.589 -14.689 1.00 73.30 C ATOM 303 O ALA A 20 -7.510 14.205 -14.324 1.00 23.23 O ATOM 304 CB ALA A 20 -4.546 15.139 -14.740 1.00 20.22 C ATOM 0 H ALA A 20 -3.381 12.974 -14.763 1.00 64.02 H new ATOM 0 HA ALA A 20 -5.270 14.085 -13.026 1.00 34.33 H new ATOM 0 HB1 ALA A 20 -5.233 15.976 -14.618 1.00 20.22 H new ATOM 0 HB2 ALA A 20 -3.595 15.378 -14.265 1.00 20.22 H new ATOM 0 HB3 ALA A 20 -4.384 14.953 -15.802 1.00 20.22 H new ATOM 310 N LYS A 21 -6.545 12.632 -15.610 1.00 42.14 N ATOM 311 CA LYS A 21 -7.791 12.241 -16.259 1.00 42.10 C ATOM 312 C LYS A 21 -8.537 11.206 -15.424 1.00 34.12 C ATOM 313 O LYS A 21 -9.768 11.188 -15.394 1.00 31.33 O ATOM 314 CB LYS A 21 -7.509 11.679 -17.654 1.00 41.23 C ATOM 315 CG LYS A 21 -7.852 12.642 -18.778 1.00 62.53 C ATOM 316 CD LYS A 21 -8.246 11.901 -20.046 1.00 5.35 C ATOM 317 CE LYS A 21 -9.652 11.332 -19.944 1.00 53.02 C ATOM 318 NZ LYS A 21 -10.209 10.989 -21.282 1.00 33.51 N ATOM 0 H LYS A 21 -5.725 12.112 -15.924 1.00 42.14 H new ATOM 0 HA LYS A 21 -8.418 13.128 -16.351 1.00 42.10 H new ATOM 0 HB2 LYS A 21 -6.454 11.414 -17.723 1.00 41.23 H new ATOM 0 HB3 LYS A 21 -8.079 10.759 -17.788 1.00 41.23 H new ATOM 0 HG2 LYS A 21 -8.670 13.291 -18.466 1.00 62.53 H new ATOM 0 HG3 LYS A 21 -6.996 13.285 -18.982 1.00 62.53 H new ATOM 0 HD2 LYS A 21 -8.187 12.579 -20.898 1.00 5.35 H new ATOM 0 HD3 LYS A 21 -7.538 11.093 -20.232 1.00 5.35 H new ATOM 0 HE2 LYS A 21 -9.639 10.441 -19.317 1.00 53.02 H new ATOM 0 HE3 LYS A 21 -10.303 12.057 -19.454 1.00 53.02 H new ATOM 0 HZ1 LYS A 21 -11.169 10.604 -21.170 1.00 33.51 H new ATOM 0 HZ2 LYS A 21 -10.245 11.844 -21.872 1.00 33.51 H new ATOM 0 HZ3 LYS A 21 -9.602 10.279 -21.739 1.00 33.51 H new ATOM 332 N LYS A 22 -7.785 10.346 -14.745 1.00 75.25 N ATOM 333 CA LYS A 22 -8.375 9.309 -13.907 1.00 31.10 C ATOM 334 C LYS A 22 -8.814 9.880 -12.563 1.00 0.54 C ATOM 335 O LYS A 22 -9.830 9.467 -12.004 1.00 42.41 O ATOM 336 CB LYS A 22 -7.375 8.172 -13.688 1.00 21.44 C ATOM 337 CG LYS A 22 -8.031 6.821 -13.459 1.00 25.34 C ATOM 338 CD LYS A 22 -8.400 6.151 -14.771 1.00 74.23 C ATOM 339 CE LYS A 22 -9.555 5.177 -14.594 1.00 71.20 C ATOM 340 NZ LYS A 22 -9.269 4.163 -13.542 1.00 22.33 N ATOM 0 H LYS A 22 -6.765 10.347 -14.759 1.00 75.25 H new ATOM 0 HA LYS A 22 -9.254 8.918 -14.420 1.00 31.10 H new ATOM 0 HB2 LYS A 22 -6.718 8.105 -14.555 1.00 21.44 H new ATOM 0 HB3 LYS A 22 -6.747 8.412 -12.830 1.00 21.44 H new ATOM 0 HG2 LYS A 22 -7.353 6.177 -12.898 1.00 25.34 H new ATOM 0 HG3 LYS A 22 -8.926 6.949 -12.850 1.00 25.34 H new ATOM 0 HD2 LYS A 22 -8.672 6.910 -15.505 1.00 74.23 H new ATOM 0 HD3 LYS A 22 -7.533 5.621 -15.167 1.00 74.23 H new ATOM 0 HE2 LYS A 22 -10.458 5.728 -14.331 1.00 71.20 H new ATOM 0 HE3 LYS A 22 -9.753 4.673 -15.540 1.00 71.20 H new ATOM 0 HZ1 LYS A 22 -9.979 3.404 -13.589 1.00 22.33 H new ATOM 0 HZ2 LYS A 22 -8.322 3.761 -13.695 1.00 22.33 H new ATOM 0 HZ3 LYS A 22 -9.306 4.614 -12.606 1.00 22.33 H new ATOM 354 N MET A 23 -8.043 10.833 -12.050 1.00 4.43 N ATOM 355 CA MET A 23 -8.354 11.463 -10.772 1.00 14.22 C ATOM 356 C MET A 23 -9.762 12.052 -10.785 1.00 25.11 C ATOM 357 O MET A 23 -10.412 12.150 -9.745 1.00 71.41 O ATOM 358 CB MET A 23 -7.334 12.558 -10.456 1.00 43.32 C ATOM 359 CG MET A 23 -6.433 12.228 -9.277 1.00 62.33 C ATOM 360 SD MET A 23 -5.525 10.687 -9.507 1.00 61.05 S ATOM 361 CE MET A 23 -4.186 11.237 -10.562 1.00 52.25 C ATOM 0 H MET A 23 -7.198 11.186 -12.500 1.00 4.43 H new ATOM 0 HA MET A 23 -8.306 10.698 -9.997 1.00 14.22 H new ATOM 0 HB2 MET A 23 -6.716 12.733 -11.337 1.00 43.32 H new ATOM 0 HB3 MET A 23 -7.864 13.488 -10.249 1.00 43.32 H new ATOM 0 HG2 MET A 23 -5.725 13.043 -9.126 1.00 62.33 H new ATOM 0 HG3 MET A 23 -7.036 12.158 -8.372 1.00 62.33 H new ATOM 0 HE1 MET A 23 -4.000 10.490 -11.334 1.00 52.25 H new ATOM 0 HE2 MET A 23 -4.457 12.183 -11.030 1.00 52.25 H new ATOM 0 HE3 MET A 23 -3.284 11.373 -9.965 1.00 52.25 H new ATOM 371 N GLU A 24 -10.224 12.442 -11.968 1.00 40.55 N ATOM 372 CA GLU A 24 -11.554 13.023 -12.115 1.00 22.44 C ATOM 373 C GLU A 24 -12.635 11.991 -11.803 1.00 5.32 C ATOM 374 O GLU A 24 -13.771 12.344 -11.489 1.00 3.13 O ATOM 375 CB GLU A 24 -11.745 13.565 -13.533 1.00 21.24 C ATOM 376 CG GLU A 24 -11.693 15.081 -13.617 1.00 5.04 C ATOM 377 CD GLU A 24 -13.059 15.721 -13.465 1.00 3.34 C ATOM 378 OE1 GLU A 24 -13.613 15.676 -12.346 1.00 51.24 O ATOM 379 OE2 GLU A 24 -13.573 16.267 -14.463 1.00 33.20 O ATOM 0 H GLU A 24 -9.698 12.367 -12.839 1.00 40.55 H new ATOM 0 HA GLU A 24 -11.644 13.845 -11.405 1.00 22.44 H new ATOM 0 HB2 GLU A 24 -10.974 13.147 -14.180 1.00 21.24 H new ATOM 0 HB3 GLU A 24 -12.705 13.221 -13.918 1.00 21.24 H new ATOM 0 HG2 GLU A 24 -11.029 15.462 -12.841 1.00 5.04 H new ATOM 0 HG3 GLU A 24 -11.263 15.374 -14.575 1.00 5.04 H new ATOM 386 N GLU A 25 -12.271 10.716 -11.893 1.00 22.21 N ATOM 387 CA GLU A 25 -13.210 9.633 -11.622 1.00 4.52 C ATOM 388 C GLU A 25 -13.333 9.383 -10.122 1.00 11.35 C ATOM 389 O GLU A 25 -14.079 8.506 -9.688 1.00 73.12 O ATOM 390 CB GLU A 25 -12.763 8.352 -12.329 1.00 22.05 C ATOM 391 CG GLU A 25 -13.849 7.716 -13.180 1.00 42.21 C ATOM 392 CD GLU A 25 -13.331 7.232 -14.520 1.00 44.25 C ATOM 393 OE1 GLU A 25 -12.991 8.085 -15.367 1.00 71.05 O ATOM 394 OE2 GLU A 25 -13.265 6.002 -14.723 1.00 22.24 O ATOM 0 H GLU A 25 -11.334 10.407 -12.151 1.00 22.21 H new ATOM 0 HA GLU A 25 -14.187 9.929 -12.005 1.00 4.52 H new ATOM 0 HB2 GLU A 25 -11.903 8.577 -12.960 1.00 22.05 H new ATOM 0 HB3 GLU A 25 -12.430 7.632 -11.582 1.00 22.05 H new ATOM 0 HG2 GLU A 25 -14.285 6.876 -12.638 1.00 42.21 H new ATOM 0 HG3 GLU A 25 -14.648 8.439 -13.343 1.00 42.21 H new ATOM 401 N GLN A 26 -12.595 10.161 -9.335 1.00 75.33 N ATOM 402 CA GLN A 26 -12.621 10.023 -7.884 1.00 34.40 C ATOM 403 C GLN A 26 -14.052 10.075 -7.358 1.00 22.34 C ATOM 404 O GLN A 26 -14.399 9.376 -6.407 1.00 33.41 O ATOM 405 CB GLN A 26 -11.785 11.124 -7.231 1.00 24.02 C ATOM 406 CG GLN A 26 -11.725 11.025 -5.715 1.00 60.30 C ATOM 407 CD GLN A 26 -12.290 12.251 -5.027 1.00 55.51 C ATOM 408 OE1 GLN A 26 -11.560 13.188 -4.703 1.00 43.11 O ATOM 409 NE2 GLN A 26 -13.599 12.253 -4.800 1.00 62.11 N ATOM 0 H GLN A 26 -11.973 10.893 -9.678 1.00 75.33 H new ATOM 0 HA GLN A 26 -12.194 9.053 -7.629 1.00 34.40 H new ATOM 0 HB2 GLN A 26 -10.771 11.084 -7.630 1.00 24.02 H new ATOM 0 HB3 GLN A 26 -12.198 12.094 -7.507 1.00 24.02 H new ATOM 0 HG2 GLN A 26 -12.278 10.144 -5.390 1.00 60.30 H new ATOM 0 HG3 GLN A 26 -10.690 10.884 -5.405 1.00 60.30 H new ATOM 0 HE21 GLN A 26 -14.167 11.455 -5.085 1.00 62.11 H new ATOM 0 HE22 GLN A 26 -14.036 13.052 -4.341 1.00 62.11 H new ATOM 418 N ASN A 27 -14.877 10.908 -7.983 1.00 11.34 N ATOM 419 CA ASN A 27 -16.270 11.052 -7.576 1.00 53.22 C ATOM 420 C ASN A 27 -16.997 9.712 -7.641 1.00 52.42 C ATOM 421 O ASN A 27 -17.998 9.502 -6.956 1.00 54.41 O ATOM 422 CB ASN A 27 -16.980 12.074 -8.467 1.00 31.02 C ATOM 423 CG ASN A 27 -17.549 13.235 -7.674 1.00 41.25 C ATOM 424 OD1 ASN A 27 -18.741 13.268 -7.369 1.00 20.45 O ATOM 425 ND2 ASN A 27 -16.696 14.196 -7.339 1.00 12.24 N ATOM 0 H ASN A 27 -14.605 11.493 -8.773 1.00 11.34 H new ATOM 0 HA ASN A 27 -16.287 11.405 -6.545 1.00 53.22 H new ATOM 0 HB2 ASN A 27 -16.279 12.454 -9.210 1.00 31.02 H new ATOM 0 HB3 ASN A 27 -17.785 11.580 -9.012 1.00 31.02 H new ATOM 0 HD21 ASN A 27 -17.021 15.004 -6.807 1.00 12.24 H new ATOM 0 HD22 ASN A 27 -15.716 14.127 -7.613 1.00 12.24 H new ATOM 432 N LYS A 28 -16.486 8.808 -8.469 1.00 60.14 N ATOM 433 CA LYS A 28 -17.084 7.487 -8.624 1.00 23.00 C ATOM 434 C LYS A 28 -16.670 6.565 -7.481 1.00 43.32 C ATOM 435 O LYS A 28 -17.299 5.535 -7.243 1.00 74.44 O ATOM 436 CB LYS A 28 -16.673 6.872 -9.964 1.00 5.13 C ATOM 437 CG LYS A 28 -16.687 7.861 -11.117 1.00 25.24 C ATOM 438 CD LYS A 28 -17.327 7.262 -12.357 1.00 73.33 C ATOM 439 CE LYS A 28 -17.419 8.279 -13.484 1.00 41.30 C ATOM 440 NZ LYS A 28 -17.310 7.636 -14.823 1.00 30.14 N ATOM 0 H LYS A 28 -15.658 8.966 -9.044 1.00 60.14 H new ATOM 0 HA LYS A 28 -18.168 7.601 -8.601 1.00 23.00 H new ATOM 0 HB2 LYS A 28 -15.672 6.451 -9.869 1.00 5.13 H new ATOM 0 HB3 LYS A 28 -17.345 6.046 -10.197 1.00 5.13 H new ATOM 0 HG2 LYS A 28 -17.232 8.758 -10.822 1.00 25.24 H new ATOM 0 HG3 LYS A 28 -15.667 8.169 -11.346 1.00 25.24 H new ATOM 0 HD2 LYS A 28 -16.745 6.402 -12.688 1.00 73.33 H new ATOM 0 HD3 LYS A 28 -18.325 6.897 -12.113 1.00 73.33 H new ATOM 0 HE2 LYS A 28 -18.366 8.814 -13.414 1.00 41.30 H new ATOM 0 HE3 LYS A 28 -16.626 9.019 -13.371 1.00 41.30 H new ATOM 0 HZ1 LYS A 28 -17.377 8.363 -15.564 1.00 30.14 H new ATOM 0 HZ2 LYS A 28 -16.395 7.147 -14.900 1.00 30.14 H new ATOM 0 HZ3 LYS A 28 -18.081 6.948 -14.942 1.00 30.14 H new ATOM 454 N ARG A 29 -15.609 6.944 -6.776 1.00 45.14 N ATOM 455 CA ARG A 29 -15.111 6.151 -5.658 1.00 53.44 C ATOM 456 C ARG A 29 -16.227 5.860 -4.660 1.00 35.04 C ATOM 457 O ARG A 29 -16.152 4.902 -3.890 1.00 63.10 O ATOM 458 CB ARG A 29 -13.964 6.882 -4.958 1.00 63.43 C ATOM 459 CG ARG A 29 -13.295 6.061 -3.868 1.00 23.30 C ATOM 460 CD ARG A 29 -13.368 6.760 -2.520 1.00 15.04 C ATOM 461 NE ARG A 29 -14.668 6.577 -1.878 1.00 62.25 N ATOM 462 CZ ARG A 29 -15.133 7.371 -0.920 1.00 61.43 C ATOM 463 NH1 ARG A 29 -14.409 8.397 -0.495 1.00 63.41 N ATOM 464 NH2 ARG A 29 -16.325 7.139 -0.386 1.00 11.22 N ATOM 0 H ARG A 29 -15.078 7.795 -6.959 1.00 45.14 H new ATOM 0 HA ARG A 29 -14.742 5.204 -6.052 1.00 53.44 H new ATOM 0 HB2 ARG A 29 -13.217 7.163 -5.700 1.00 63.43 H new ATOM 0 HB3 ARG A 29 -14.345 7.806 -4.523 1.00 63.43 H new ATOM 0 HG2 ARG A 29 -13.776 5.085 -3.799 1.00 23.30 H new ATOM 0 HG3 ARG A 29 -12.252 5.885 -4.132 1.00 23.30 H new ATOM 0 HD2 ARG A 29 -12.584 6.374 -1.868 1.00 15.04 H new ATOM 0 HD3 ARG A 29 -13.176 7.825 -2.653 1.00 15.04 H new ATOM 0 HE ARG A 29 -15.250 5.797 -2.182 1.00 62.25 H new ATOM 0 HH11 ARG A 29 -13.492 8.578 -0.904 1.00 63.41 H new ATOM 0 HH12 ARG A 29 -14.769 9.005 0.241 1.00 63.41 H new ATOM 0 HH21 ARG A 29 -16.885 6.351 -0.711 1.00 11.22 H new ATOM 0 HH22 ARG A 29 -16.682 7.749 0.350 1.00 11.22 H new ATOM 478 N PHE A 30 -17.263 6.693 -4.677 1.00 43.04 N ATOM 479 CA PHE A 30 -18.394 6.526 -3.773 1.00 11.04 C ATOM 480 C PHE A 30 -19.377 5.493 -4.315 1.00 63.55 C ATOM 481 O PHE A 30 -19.650 4.480 -3.670 1.00 42.13 O ATOM 482 CB PHE A 30 -19.107 7.863 -3.562 1.00 14.12 C ATOM 483 CG PHE A 30 -19.474 8.128 -2.129 1.00 65.13 C ATOM 484 CD1 PHE A 30 -20.204 7.200 -1.404 1.00 52.44 C ATOM 485 CD2 PHE A 30 -19.087 9.305 -1.508 1.00 33.40 C ATOM 486 CE1 PHE A 30 -20.542 7.441 -0.086 1.00 35.31 C ATOM 487 CE2 PHE A 30 -19.422 9.550 -0.190 1.00 13.22 C ATOM 488 CZ PHE A 30 -20.152 8.618 0.522 1.00 63.22 C ATOM 0 H PHE A 30 -17.342 7.491 -5.308 1.00 43.04 H new ATOM 0 HA PHE A 30 -18.012 6.170 -2.816 1.00 11.04 H new ATOM 0 HB2 PHE A 30 -18.465 8.668 -3.919 1.00 14.12 H new ATOM 0 HB3 PHE A 30 -20.011 7.883 -4.170 1.00 14.12 H new ATOM 0 HD1 PHE A 30 -20.512 6.278 -1.874 1.00 52.44 H new ATOM 0 HD2 PHE A 30 -18.518 10.038 -2.060 1.00 33.40 H new ATOM 0 HE1 PHE A 30 -21.111 6.709 0.468 1.00 35.31 H new ATOM 0 HE2 PHE A 30 -19.113 10.470 0.284 1.00 13.22 H new ATOM 0 HZ PHE A 30 -20.417 8.809 1.551 1.00 63.22 H new ATOM 498 N PHE A 31 -19.905 5.756 -5.506 1.00 34.21 N ATOM 499 CA PHE A 31 -20.859 4.850 -6.136 1.00 51.30 C ATOM 500 C PHE A 31 -20.235 3.477 -6.367 1.00 3.34 C ATOM 501 O PHE A 31 -20.933 2.465 -6.405 1.00 22.30 O ATOM 502 CB PHE A 31 -21.345 5.432 -7.465 1.00 71.22 C ATOM 503 CG PHE A 31 -22.570 4.751 -8.005 1.00 53.11 C ATOM 504 CD1 PHE A 31 -23.653 4.489 -7.181 1.00 70.23 C ATOM 505 CD2 PHE A 31 -22.639 4.373 -9.336 1.00 50.04 C ATOM 506 CE1 PHE A 31 -24.782 3.863 -7.675 1.00 72.10 C ATOM 507 CE2 PHE A 31 -23.766 3.747 -9.836 1.00 4.33 C ATOM 508 CZ PHE A 31 -24.838 3.491 -9.004 1.00 20.22 C ATOM 0 H PHE A 31 -19.689 6.589 -6.054 1.00 34.21 H new ATOM 0 HA PHE A 31 -21.710 4.734 -5.465 1.00 51.30 H new ATOM 0 HB2 PHE A 31 -21.558 6.493 -7.332 1.00 71.22 H new ATOM 0 HB3 PHE A 31 -20.544 5.357 -8.200 1.00 71.22 H new ATOM 0 HD1 PHE A 31 -23.614 4.777 -6.141 1.00 70.23 H new ATOM 0 HD2 PHE A 31 -21.803 4.570 -9.991 1.00 50.04 H new ATOM 0 HE1 PHE A 31 -25.619 3.665 -7.022 1.00 72.10 H new ATOM 0 HE2 PHE A 31 -23.808 3.459 -10.876 1.00 4.33 H new ATOM 0 HZ PHE A 31 -25.719 3.001 -9.392 1.00 20.22 H new ATOM 518 N ALA A 32 -18.915 3.452 -6.520 1.00 42.42 N ATOM 519 CA ALA A 32 -18.195 2.205 -6.746 1.00 33.04 C ATOM 520 C ALA A 32 -17.407 1.795 -5.507 1.00 24.53 C ATOM 521 O ALA A 32 -16.593 0.872 -5.555 1.00 21.13 O ATOM 522 CB ALA A 32 -17.267 2.340 -7.944 1.00 13.03 C ATOM 0 H ALA A 32 -18.322 4.282 -6.491 1.00 42.42 H new ATOM 0 HA ALA A 32 -18.927 1.424 -6.954 1.00 33.04 H new ATOM 0 HB1 ALA A 32 -16.736 1.401 -8.101 1.00 13.03 H new ATOM 0 HB2 ALA A 32 -17.852 2.579 -8.832 1.00 13.03 H new ATOM 0 HB3 ALA A 32 -16.547 3.137 -7.759 1.00 13.03 H new ATOM 528 N ASP A 33 -17.652 2.486 -4.399 1.00 72.51 N ATOM 529 CA ASP A 33 -16.965 2.192 -3.147 1.00 2.42 C ATOM 530 C ASP A 33 -17.170 0.736 -2.743 1.00 23.25 C ATOM 531 O ASP A 33 -16.394 0.181 -1.964 1.00 63.01 O ATOM 532 CB ASP A 33 -17.465 3.118 -2.037 1.00 33.02 C ATOM 533 CG ASP A 33 -16.416 3.363 -0.970 1.00 71.12 C ATOM 534 OD1 ASP A 33 -16.657 4.209 -0.084 1.00 2.41 O ATOM 535 OD2 ASP A 33 -15.355 2.707 -1.021 1.00 43.42 O ATOM 0 H ASP A 33 -18.321 3.254 -4.343 1.00 72.51 H new ATOM 0 HA ASP A 33 -15.899 2.361 -3.298 1.00 2.42 H new ATOM 0 HB2 ASP A 33 -17.766 4.071 -2.471 1.00 33.02 H new ATOM 0 HB3 ASP A 33 -18.352 2.683 -1.577 1.00 33.02 H new ATOM 540 N LYS A 34 -18.220 0.121 -3.276 1.00 13.45 N ATOM 541 CA LYS A 34 -18.529 -1.271 -2.971 1.00 44.14 C ATOM 542 C LYS A 34 -17.298 -2.153 -3.155 1.00 71.45 C ATOM 543 O LYS A 34 -16.325 -1.775 -3.809 1.00 34.24 O ATOM 544 CB LYS A 34 -19.666 -1.770 -3.866 1.00 23.12 C ATOM 545 CG LYS A 34 -21.023 -1.766 -3.184 1.00 2.43 C ATOM 546 CD LYS A 34 -22.060 -1.024 -4.010 1.00 41.22 C ATOM 547 CE LYS A 34 -23.274 -0.648 -3.174 1.00 62.04 C ATOM 548 NZ LYS A 34 -24.547 -1.052 -3.833 1.00 30.34 N ATOM 0 H LYS A 34 -18.872 0.565 -3.922 1.00 13.45 H new ATOM 0 HA LYS A 34 -18.844 -1.328 -1.929 1.00 44.14 H new ATOM 0 HB2 LYS A 34 -19.715 -1.146 -4.758 1.00 23.12 H new ATOM 0 HB3 LYS A 34 -19.438 -2.783 -4.198 1.00 23.12 H new ATOM 0 HG2 LYS A 34 -21.352 -2.792 -3.021 1.00 2.43 H new ATOM 0 HG3 LYS A 34 -20.937 -1.300 -2.203 1.00 2.43 H new ATOM 0 HD2 LYS A 34 -21.614 -0.123 -4.432 1.00 41.22 H new ATOM 0 HD3 LYS A 34 -22.373 -1.647 -4.848 1.00 41.22 H new ATOM 0 HE2 LYS A 34 -23.204 -1.125 -2.196 1.00 62.04 H new ATOM 0 HE3 LYS A 34 -23.279 0.429 -3.004 1.00 62.04 H new ATOM 0 HZ1 LYS A 34 -25.351 -0.779 -3.232 1.00 30.34 H new ATOM 0 HZ2 LYS A 34 -24.626 -0.577 -4.755 1.00 30.34 H new ATOM 0 HZ3 LYS A 34 -24.554 -2.083 -3.972 1.00 30.34 H new ATOM 562 N PRO A 35 -17.340 -3.359 -2.568 1.00 40.42 N ATOM 563 CA PRO A 35 -16.237 -4.320 -2.655 1.00 71.34 C ATOM 564 C PRO A 35 -16.083 -4.900 -4.057 1.00 60.12 C ATOM 565 O PRO A 35 -17.058 -5.335 -4.670 1.00 31.52 O ATOM 566 CB PRO A 35 -16.642 -5.415 -1.665 1.00 72.24 C ATOM 567 CG PRO A 35 -18.128 -5.329 -1.592 1.00 4.21 C ATOM 568 CD PRO A 35 -18.467 -3.875 -1.774 1.00 74.44 C ATOM 0 HA PRO A 35 -15.275 -3.858 -2.431 1.00 71.34 H new ATOM 0 HB2 PRO A 35 -16.319 -6.398 -2.008 1.00 72.24 H new ATOM 0 HB3 PRO A 35 -16.188 -5.253 -0.688 1.00 72.24 H new ATOM 0 HG2 PRO A 35 -18.593 -5.938 -2.367 1.00 4.21 H new ATOM 0 HG3 PRO A 35 -18.494 -5.698 -0.634 1.00 4.21 H new ATOM 0 HD2 PRO A 35 -19.417 -3.746 -2.293 1.00 74.44 H new ATOM 0 HD3 PRO A 35 -18.554 -3.360 -0.817 1.00 74.44 H new ATOM 576 N ASP A 36 -14.853 -4.903 -4.559 1.00 70.11 N ATOM 577 CA ASP A 36 -14.571 -5.431 -5.889 1.00 32.31 C ATOM 578 C ASP A 36 -13.602 -6.607 -5.812 1.00 75.34 C ATOM 579 O ASP A 36 -12.827 -6.846 -6.738 1.00 12.53 O ATOM 580 CB ASP A 36 -13.992 -4.335 -6.784 1.00 50.23 C ATOM 581 CG ASP A 36 -14.753 -3.029 -6.666 1.00 5.34 C ATOM 582 OD1 ASP A 36 -14.146 -2.026 -6.233 1.00 53.13 O ATOM 583 OD2 ASP A 36 -15.954 -3.009 -7.006 1.00 23.00 O ATOM 0 H ASP A 36 -14.035 -4.546 -4.065 1.00 70.11 H new ATOM 0 HA ASP A 36 -15.508 -5.783 -6.320 1.00 32.31 H new ATOM 0 HB2 ASP A 36 -12.948 -4.169 -6.520 1.00 50.23 H new ATOM 0 HB3 ASP A 36 -14.009 -4.670 -7.821 1.00 50.23 H new ATOM 588 N GLU A 37 -13.653 -7.338 -4.703 1.00 2.21 N ATOM 589 CA GLU A 37 -12.778 -8.488 -4.506 1.00 1.42 C ATOM 590 C GLU A 37 -11.361 -8.040 -4.160 1.00 44.20 C ATOM 591 O GLU A 37 -10.825 -8.395 -3.111 1.00 24.40 O ATOM 592 CB GLU A 37 -12.756 -9.361 -5.762 1.00 33.33 C ATOM 593 CG GLU A 37 -12.623 -10.846 -5.468 1.00 35.21 C ATOM 594 CD GLU A 37 -11.513 -11.502 -6.265 1.00 43.44 C ATOM 595 OE1 GLU A 37 -11.826 -12.215 -7.242 1.00 5.50 O ATOM 596 OE2 GLU A 37 -10.331 -11.302 -5.913 1.00 75.13 O ATOM 0 H GLU A 37 -14.290 -7.155 -3.928 1.00 2.21 H new ATOM 0 HA GLU A 37 -13.170 -9.072 -3.673 1.00 1.42 H new ATOM 0 HB2 GLU A 37 -13.672 -9.192 -6.328 1.00 33.33 H new ATOM 0 HB3 GLU A 37 -11.927 -9.049 -6.397 1.00 33.33 H new ATOM 0 HG2 GLU A 37 -12.433 -10.986 -4.404 1.00 35.21 H new ATOM 0 HG3 GLU A 37 -13.567 -11.343 -5.691 1.00 35.21 H new ATOM 603 N ALA A 38 -10.760 -7.258 -5.051 1.00 4.22 N ATOM 604 CA ALA A 38 -9.406 -6.760 -4.840 1.00 61.02 C ATOM 605 C ALA A 38 -9.261 -6.132 -3.458 1.00 43.02 C ATOM 606 O ALA A 38 -8.179 -6.144 -2.869 1.00 72.02 O ATOM 607 CB ALA A 38 -9.040 -5.753 -5.921 1.00 23.33 C ATOM 0 H ALA A 38 -11.189 -6.956 -5.926 1.00 4.22 H new ATOM 0 HA ALA A 38 -8.721 -7.606 -4.899 1.00 61.02 H new ATOM 0 HB1 ALA A 38 -8.027 -5.389 -5.751 1.00 23.33 H new ATOM 0 HB2 ALA A 38 -9.095 -6.232 -6.898 1.00 23.33 H new ATOM 0 HB3 ALA A 38 -9.736 -4.915 -5.889 1.00 23.33 H new ATOM 613 N THR A 39 -10.357 -5.582 -2.945 1.00 20.22 N ATOM 614 CA THR A 39 -10.351 -4.947 -1.633 1.00 32.40 C ATOM 615 C THR A 39 -9.066 -4.158 -1.410 1.00 15.21 C ATOM 616 O THR A 39 -8.498 -4.173 -0.317 1.00 70.02 O ATOM 617 CB THR A 39 -10.504 -5.986 -0.506 1.00 13.03 C ATOM 618 OG1 THR A 39 -10.575 -5.325 0.763 1.00 71.32 O ATOM 619 CG2 THR A 39 -9.339 -6.964 -0.509 1.00 75.33 C ATOM 0 H THR A 39 -11.260 -5.564 -3.418 1.00 20.22 H new ATOM 0 HA THR A 39 -11.201 -4.266 -1.607 1.00 32.40 H new ATOM 0 HB THR A 39 -11.425 -6.543 -0.678 1.00 13.03 H new ATOM 0 HG1 THR A 39 -9.840 -4.682 0.838 1.00 71.32 H new ATOM 0 HG21 THR A 39 -9.469 -7.688 0.296 1.00 75.33 H new ATOM 0 HG22 THR A 39 -9.305 -7.486 -1.465 1.00 75.33 H new ATOM 0 HG23 THR A 39 -8.407 -6.420 -0.360 1.00 75.33 H new ATOM 627 N LEU A 40 -8.614 -3.468 -2.451 1.00 5.12 N ATOM 628 CA LEU A 40 -7.395 -2.670 -2.368 1.00 62.31 C ATOM 629 C LEU A 40 -7.442 -1.726 -1.172 1.00 13.45 C ATOM 630 O LEU A 40 -8.518 -1.388 -0.677 1.00 42.41 O ATOM 631 CB LEU A 40 -7.197 -1.870 -3.657 1.00 13.03 C ATOM 632 CG LEU A 40 -5.818 -1.239 -3.850 1.00 61.12 C ATOM 633 CD1 LEU A 40 -4.762 -2.315 -4.051 1.00 72.30 C ATOM 634 CD2 LEU A 40 -5.832 -0.277 -5.029 1.00 11.10 C ATOM 0 H LEU A 40 -9.072 -3.445 -3.362 1.00 5.12 H new ATOM 0 HA LEU A 40 -6.553 -3.350 -2.237 1.00 62.31 H new ATOM 0 HB2 LEU A 40 -7.395 -2.528 -4.503 1.00 13.03 H new ATOM 0 HB3 LEU A 40 -7.945 -1.077 -3.688 1.00 13.03 H new ATOM 0 HG LEU A 40 -5.568 -0.677 -2.950 1.00 61.12 H new ATOM 0 HD11 LEU A 40 -3.787 -1.847 -4.187 1.00 72.30 H new ATOM 0 HD12 LEU A 40 -4.734 -2.965 -3.177 1.00 72.30 H new ATOM 0 HD13 LEU A 40 -5.007 -2.905 -4.934 1.00 72.30 H new ATOM 0 HD21 LEU A 40 -4.842 0.163 -5.152 1.00 11.10 H new ATOM 0 HD22 LEU A 40 -6.104 -0.817 -5.936 1.00 11.10 H new ATOM 0 HD23 LEU A 40 -6.560 0.513 -4.845 1.00 11.10 H new ATOM 646 N SER A 41 -6.269 -1.301 -0.712 1.00 75.21 N ATOM 647 CA SER A 41 -6.177 -0.396 0.428 1.00 60.44 C ATOM 648 C SER A 41 -6.129 1.057 -0.035 1.00 32.31 C ATOM 649 O SER A 41 -5.920 1.354 -1.211 1.00 44.11 O ATOM 650 CB SER A 41 -4.936 -0.719 1.262 1.00 11.24 C ATOM 651 OG SER A 41 -4.333 -1.928 0.834 1.00 13.41 O ATOM 0 H SER A 41 -5.369 -1.569 -1.111 1.00 75.21 H new ATOM 0 HA SER A 41 -7.066 -0.534 1.044 1.00 60.44 H new ATOM 0 HB2 SER A 41 -4.218 0.097 1.182 1.00 11.24 H new ATOM 0 HB3 SER A 41 -5.212 -0.799 2.314 1.00 11.24 H new ATOM 0 HG SER A 41 -3.541 -2.111 1.382 1.00 13.41 H new ATOM 657 N PRO A 42 -6.329 1.985 0.912 1.00 5.14 N ATOM 658 CA PRO A 42 -6.313 3.423 0.627 1.00 23.05 C ATOM 659 C PRO A 42 -4.916 3.931 0.285 1.00 32.24 C ATOM 660 O PRO A 42 -4.695 5.136 0.172 1.00 74.15 O ATOM 661 CB PRO A 42 -6.804 4.049 1.935 1.00 10.20 C ATOM 662 CG PRO A 42 -6.457 3.052 2.986 1.00 14.02 C ATOM 663 CD PRO A 42 -6.584 1.703 2.335 1.00 71.31 C ATOM 0 HA PRO A 42 -6.926 3.674 -0.239 1.00 23.05 H new ATOM 0 HB2 PRO A 42 -6.318 5.007 2.122 1.00 10.20 H new ATOM 0 HB3 PRO A 42 -7.877 4.236 1.906 1.00 10.20 H new ATOM 0 HG2 PRO A 42 -5.445 3.212 3.357 1.00 14.02 H new ATOM 0 HG3 PRO A 42 -7.127 3.137 3.841 1.00 14.02 H new ATOM 0 HD2 PRO A 42 -5.863 0.992 2.739 1.00 71.31 H new ATOM 0 HD3 PRO A 42 -7.574 1.274 2.488 1.00 71.31 H new ATOM 671 N GLU A 43 -3.978 3.004 0.122 1.00 24.44 N ATOM 672 CA GLU A 43 -2.602 3.359 -0.206 1.00 53.35 C ATOM 673 C GLU A 43 -2.557 4.322 -1.390 1.00 34.22 C ATOM 674 O GLU A 43 -1.688 5.189 -1.465 1.00 43.11 O ATOM 675 CB GLU A 43 -1.789 2.103 -0.526 1.00 35.12 C ATOM 676 CG GLU A 43 -1.712 1.789 -2.010 1.00 74.25 C ATOM 677 CD GLU A 43 -0.975 0.495 -2.296 1.00 4.14 C ATOM 678 OE1 GLU A 43 0.096 0.278 -1.690 1.00 70.32 O ATOM 679 OE2 GLU A 43 -1.467 -0.299 -3.124 1.00 20.35 O ATOM 0 H GLU A 43 -4.145 2.002 0.212 1.00 24.44 H new ATOM 0 HA GLU A 43 -2.165 3.854 0.661 1.00 53.35 H new ATOM 0 HB2 GLU A 43 -0.778 2.226 -0.136 1.00 35.12 H new ATOM 0 HB3 GLU A 43 -2.230 1.253 -0.006 1.00 35.12 H new ATOM 0 HG2 GLU A 43 -2.721 1.725 -2.417 1.00 74.25 H new ATOM 0 HG3 GLU A 43 -1.212 2.609 -2.525 1.00 74.25 H new ATOM 686 N MET A 44 -3.501 4.161 -2.312 1.00 21.11 N ATOM 687 CA MET A 44 -3.570 5.016 -3.491 1.00 63.45 C ATOM 688 C MET A 44 -4.408 6.259 -3.214 1.00 10.34 C ATOM 689 O MET A 44 -4.220 7.301 -3.843 1.00 31.24 O ATOM 690 CB MET A 44 -4.158 4.243 -4.674 1.00 13.33 C ATOM 691 CG MET A 44 -5.667 4.077 -4.600 1.00 34.31 C ATOM 692 SD MET A 44 -6.335 3.167 -6.006 1.00 73.20 S ATOM 693 CE MET A 44 -8.094 3.364 -5.732 1.00 34.41 C ATOM 0 H MET A 44 -4.228 3.447 -2.265 1.00 21.11 H new ATOM 0 HA MET A 44 -2.557 5.332 -3.740 1.00 63.45 H new ATOM 0 HB2 MET A 44 -3.902 4.760 -5.599 1.00 13.33 H new ATOM 0 HB3 MET A 44 -3.694 3.258 -4.721 1.00 13.33 H new ATOM 0 HG2 MET A 44 -5.927 3.556 -3.678 1.00 34.31 H new ATOM 0 HG3 MET A 44 -6.135 5.060 -4.553 1.00 34.31 H new ATOM 0 HE1 MET A 44 -8.645 2.854 -6.523 1.00 34.41 H new ATOM 0 HE2 MET A 44 -8.362 2.934 -4.767 1.00 34.41 H new ATOM 0 HE3 MET A 44 -8.347 4.424 -5.739 1.00 34.41 H new ATOM 703 N LYS A 45 -5.334 6.144 -2.268 1.00 31.22 N ATOM 704 CA LYS A 45 -6.201 7.259 -1.905 1.00 73.43 C ATOM 705 C LYS A 45 -5.439 8.298 -1.089 1.00 72.32 C ATOM 706 O LYS A 45 -5.841 9.458 -1.016 1.00 11.41 O ATOM 707 CB LYS A 45 -7.408 6.755 -1.110 1.00 51.12 C ATOM 708 CG LYS A 45 -8.381 7.854 -0.720 1.00 2.43 C ATOM 709 CD LYS A 45 -9.777 7.579 -1.253 1.00 22.14 C ATOM 710 CE LYS A 45 -10.063 8.386 -2.509 1.00 51.34 C ATOM 711 NZ LYS A 45 -10.828 9.628 -2.209 1.00 2.24 N ATOM 0 H LYS A 45 -5.503 5.289 -1.738 1.00 31.22 H new ATOM 0 HA LYS A 45 -6.550 7.730 -2.824 1.00 73.43 H new ATOM 0 HB2 LYS A 45 -7.936 6.007 -1.702 1.00 51.12 H new ATOM 0 HB3 LYS A 45 -7.055 6.256 -0.207 1.00 51.12 H new ATOM 0 HG2 LYS A 45 -8.416 7.941 0.366 1.00 2.43 H new ATOM 0 HG3 LYS A 45 -8.025 8.810 -1.105 1.00 2.43 H new ATOM 0 HD2 LYS A 45 -9.882 6.516 -1.471 1.00 22.14 H new ATOM 0 HD3 LYS A 45 -10.514 7.822 -0.488 1.00 22.14 H new ATOM 0 HE2 LYS A 45 -9.123 8.647 -2.995 1.00 51.34 H new ATOM 0 HE3 LYS A 45 -10.626 7.774 -3.213 1.00 51.34 H new ATOM 0 HZ1 LYS A 45 -11.003 10.150 -3.091 1.00 2.24 H new ATOM 0 HZ2 LYS A 45 -11.737 9.378 -1.769 1.00 2.24 H new ATOM 0 HZ3 LYS A 45 -10.280 10.224 -1.557 1.00 2.24 H new ATOM 725 N GLU A 46 -4.337 7.873 -0.479 1.00 72.41 N ATOM 726 CA GLU A 46 -3.519 8.768 0.331 1.00 75.12 C ATOM 727 C GLU A 46 -2.531 9.539 -0.540 1.00 33.13 C ATOM 728 O GLU A 46 -2.216 10.697 -0.264 1.00 25.23 O ATOM 729 CB GLU A 46 -2.764 7.977 1.401 1.00 71.12 C ATOM 730 CG GLU A 46 -3.166 8.337 2.821 1.00 21.02 C ATOM 731 CD GLU A 46 -2.344 7.604 3.864 1.00 72.14 C ATOM 732 OE1 GLU A 46 -1.997 8.226 4.890 1.00 73.14 O ATOM 733 OE2 GLU A 46 -2.048 6.409 3.654 1.00 42.23 O ATOM 0 H GLU A 46 -3.990 6.915 -0.530 1.00 72.41 H new ATOM 0 HA GLU A 46 -4.182 9.483 0.819 1.00 75.12 H new ATOM 0 HB2 GLU A 46 -2.936 6.912 1.243 1.00 71.12 H new ATOM 0 HB3 GLU A 46 -1.694 8.149 1.281 1.00 71.12 H new ATOM 0 HG2 GLU A 46 -3.054 9.412 2.965 1.00 21.02 H new ATOM 0 HG3 GLU A 46 -4.221 8.104 2.966 1.00 21.02 H new ATOM 740 N HIS A 47 -2.046 8.888 -1.592 1.00 41.13 N ATOM 741 CA HIS A 47 -1.093 9.512 -2.504 1.00 74.31 C ATOM 742 C HIS A 47 -1.816 10.350 -3.555 1.00 23.24 C ATOM 743 O HIS A 47 -1.431 11.487 -3.827 1.00 52.34 O ATOM 744 CB HIS A 47 -0.236 8.446 -3.187 1.00 22.33 C ATOM 745 CG HIS A 47 1.132 8.927 -3.561 1.00 24.23 C ATOM 746 ND1 HIS A 47 1.386 9.665 -4.697 1.00 51.42 N ATOM 747 CD2 HIS A 47 2.325 8.772 -2.940 1.00 44.43 C ATOM 748 CE1 HIS A 47 2.676 9.943 -4.761 1.00 31.14 C ATOM 749 NE2 HIS A 47 3.268 9.413 -3.706 1.00 25.21 N ATOM 0 H HIS A 47 -2.297 7.929 -1.834 1.00 41.13 H new ATOM 0 HA HIS A 47 -0.447 10.169 -1.922 1.00 74.31 H new ATOM 0 HB2 HIS A 47 -0.141 7.587 -2.523 1.00 22.33 H new ATOM 0 HB3 HIS A 47 -0.748 8.100 -4.085 1.00 22.33 H new ATOM 0 HD1 HIS A 47 0.687 9.952 -5.382 1.00 51.42 H new ATOM 0 HD2 HIS A 47 2.502 8.243 -2.015 1.00 44.43 H new ATOM 0 HE1 HIS A 47 3.163 10.507 -5.542 1.00 31.14 H new ATOM 757 N TYR A 48 -2.863 9.780 -4.141 1.00 3.40 N ATOM 758 CA TYR A 48 -3.637 10.474 -5.164 1.00 23.22 C ATOM 759 C TYR A 48 -4.105 11.836 -4.662 1.00 52.32 C ATOM 760 O TYR A 48 -4.360 12.745 -5.451 1.00 54.41 O ATOM 761 CB TYR A 48 -4.842 9.629 -5.581 1.00 41.41 C ATOM 762 CG TYR A 48 -4.514 8.576 -6.615 1.00 54.01 C ATOM 763 CD1 TYR A 48 -3.209 8.137 -6.799 1.00 2.41 C ATOM 764 CD2 TYR A 48 -5.510 8.020 -7.409 1.00 0.20 C ATOM 765 CE1 TYR A 48 -2.905 7.176 -7.743 1.00 24.31 C ATOM 766 CE2 TYR A 48 -5.215 7.057 -8.354 1.00 52.03 C ATOM 767 CZ TYR A 48 -3.911 6.638 -8.518 1.00 12.23 C ATOM 768 OH TYR A 48 -3.613 5.680 -9.459 1.00 53.03 O ATOM 0 H TYR A 48 -3.195 8.840 -3.926 1.00 3.40 H new ATOM 0 HA TYR A 48 -2.993 10.628 -6.030 1.00 23.22 H new ATOM 0 HB2 TYR A 48 -5.257 9.143 -4.698 1.00 41.41 H new ATOM 0 HB3 TYR A 48 -5.616 10.286 -5.977 1.00 41.41 H new ATOM 0 HD1 TYR A 48 -2.418 8.555 -6.193 1.00 2.41 H new ATOM 0 HD2 TYR A 48 -6.532 8.347 -7.285 1.00 0.20 H new ATOM 0 HE1 TYR A 48 -1.885 6.847 -7.874 1.00 24.31 H new ATOM 0 HE2 TYR A 48 -6.001 6.634 -8.962 1.00 52.03 H new ATOM 0 HH TYR A 48 -4.434 5.406 -9.918 1.00 53.03 H new ATOM 778 N GLU A 49 -4.215 11.969 -3.344 1.00 30.40 N ATOM 779 CA GLU A 49 -4.653 13.220 -2.736 1.00 61.33 C ATOM 780 C GLU A 49 -3.698 14.358 -3.086 1.00 33.30 C ATOM 781 O GLU A 49 -4.053 15.533 -2.991 1.00 31.13 O ATOM 782 CB GLU A 49 -4.749 13.068 -1.217 1.00 3.43 C ATOM 783 CG GLU A 49 -6.063 13.565 -0.637 1.00 64.12 C ATOM 784 CD GLU A 49 -5.870 14.392 0.619 1.00 15.11 C ATOM 785 OE1 GLU A 49 -6.649 15.347 0.824 1.00 4.25 O ATOM 786 OE2 GLU A 49 -4.943 14.085 1.396 1.00 23.13 O ATOM 0 H GLU A 49 -4.007 11.226 -2.677 1.00 30.40 H new ATOM 0 HA GLU A 49 -5.639 13.462 -3.132 1.00 61.33 H new ATOM 0 HB2 GLU A 49 -4.621 12.017 -0.957 1.00 3.43 H new ATOM 0 HB3 GLU A 49 -3.927 13.614 -0.753 1.00 3.43 H new ATOM 0 HG2 GLU A 49 -6.583 14.163 -1.385 1.00 64.12 H new ATOM 0 HG3 GLU A 49 -6.702 12.711 -0.411 1.00 64.12 H new ATOM 793 N LYS A 50 -2.484 14.000 -3.491 1.00 13.31 N ATOM 794 CA LYS A 50 -1.477 14.989 -3.856 1.00 0.31 C ATOM 795 C LYS A 50 -1.642 15.423 -5.309 1.00 2.11 C ATOM 796 O LYS A 50 -1.197 16.503 -5.699 1.00 63.42 O ATOM 797 CB LYS A 50 -0.073 14.421 -3.638 1.00 43.33 C ATOM 798 CG LYS A 50 0.918 15.438 -3.098 1.00 52.44 C ATOM 799 CD LYS A 50 2.336 15.130 -3.550 1.00 14.02 C ATOM 800 CE LYS A 50 3.364 15.702 -2.587 1.00 1.55 C ATOM 801 NZ LYS A 50 4.709 15.818 -3.216 1.00 10.35 N ATOM 0 H LYS A 50 -2.174 13.032 -3.575 1.00 13.31 H new ATOM 0 HA LYS A 50 -1.612 15.862 -3.217 1.00 0.31 H new ATOM 0 HB2 LYS A 50 -0.133 13.582 -2.945 1.00 43.33 H new ATOM 0 HB3 LYS A 50 0.301 14.028 -4.583 1.00 43.33 H new ATOM 0 HG2 LYS A 50 0.637 16.436 -3.435 1.00 52.44 H new ATOM 0 HG3 LYS A 50 0.876 15.445 -2.009 1.00 52.44 H new ATOM 0 HD2 LYS A 50 2.468 14.051 -3.626 1.00 14.02 H new ATOM 0 HD3 LYS A 50 2.499 15.542 -4.546 1.00 14.02 H new ATOM 0 HE2 LYS A 50 3.036 16.684 -2.247 1.00 1.55 H new ATOM 0 HE3 LYS A 50 3.429 15.065 -1.705 1.00 1.55 H new ATOM 0 HZ1 LYS A 50 5.381 16.212 -2.527 1.00 10.35 H new ATOM 0 HZ2 LYS A 50 5.033 14.877 -3.518 1.00 10.35 H new ATOM 0 HZ3 LYS A 50 4.653 16.446 -4.043 1.00 10.35 H new ATOM 815 N PHE A 51 -2.285 14.576 -6.105 1.00 72.23 N ATOM 816 CA PHE A 51 -2.509 14.872 -7.515 1.00 53.34 C ATOM 817 C PHE A 51 -3.734 15.765 -7.696 1.00 22.34 C ATOM 818 O PHE A 51 -3.683 16.768 -8.405 1.00 54.45 O ATOM 819 CB PHE A 51 -2.688 13.576 -8.309 1.00 4.22 C ATOM 820 CG PHE A 51 -2.000 13.591 -9.644 1.00 51.41 C ATOM 821 CD1 PHE A 51 -0.699 13.134 -9.773 1.00 44.33 C ATOM 822 CD2 PHE A 51 -2.655 14.063 -10.770 1.00 54.31 C ATOM 823 CE1 PHE A 51 -0.063 13.147 -11.001 1.00 31.42 C ATOM 824 CE2 PHE A 51 -2.025 14.078 -12.000 1.00 73.51 C ATOM 825 CZ PHE A 51 -0.727 13.620 -12.115 1.00 72.24 C ATOM 0 H PHE A 51 -2.660 13.679 -5.798 1.00 72.23 H new ATOM 0 HA PHE A 51 -1.635 15.403 -7.891 1.00 53.34 H new ATOM 0 HB2 PHE A 51 -2.304 12.743 -7.721 1.00 4.22 H new ATOM 0 HB3 PHE A 51 -3.752 13.396 -8.460 1.00 4.22 H new ATOM 0 HD1 PHE A 51 -0.175 12.763 -8.904 1.00 44.33 H new ATOM 0 HD2 PHE A 51 -3.670 14.423 -10.686 1.00 54.31 H new ATOM 0 HE1 PHE A 51 0.952 12.788 -11.088 1.00 31.42 H new ATOM 0 HE2 PHE A 51 -2.547 14.447 -12.870 1.00 73.51 H new ATOM 0 HZ PHE A 51 -0.232 13.632 -13.075 1.00 72.24 H new ATOM 835 N GLU A 52 -4.832 15.390 -7.048 1.00 35.23 N ATOM 836 CA GLU A 52 -6.070 16.155 -7.138 1.00 13.43 C ATOM 837 C GLU A 52 -5.823 17.629 -6.827 1.00 65.23 C ATOM 838 O GLU A 52 -6.311 18.514 -7.530 1.00 0.11 O ATOM 839 CB GLU A 52 -7.117 15.589 -6.176 1.00 12.30 C ATOM 840 CG GLU A 52 -6.542 15.152 -4.839 1.00 73.12 C ATOM 841 CD GLU A 52 -7.373 15.628 -3.663 1.00 44.32 C ATOM 842 OE1 GLU A 52 -7.172 16.780 -3.224 1.00 2.11 O ATOM 843 OE2 GLU A 52 -8.222 14.850 -3.182 1.00 53.11 O ATOM 0 H GLU A 52 -4.890 14.562 -6.455 1.00 35.23 H new ATOM 0 HA GLU A 52 -6.443 16.074 -8.159 1.00 13.43 H new ATOM 0 HB2 GLU A 52 -7.884 16.343 -6.003 1.00 12.30 H new ATOM 0 HB3 GLU A 52 -7.608 14.737 -6.647 1.00 12.30 H new ATOM 0 HG2 GLU A 52 -6.474 14.064 -4.815 1.00 73.12 H new ATOM 0 HG3 GLU A 52 -5.527 15.537 -4.741 1.00 73.12 H new ATOM 850 N LYS A 53 -5.060 17.884 -5.769 1.00 55.43 N ATOM 851 CA LYS A 53 -4.746 19.249 -5.364 1.00 41.21 C ATOM 852 C LYS A 53 -4.162 20.042 -6.529 1.00 71.23 C ATOM 853 O LYS A 53 -4.286 21.265 -6.584 1.00 23.04 O ATOM 854 CB LYS A 53 -3.760 19.241 -4.194 1.00 4.21 C ATOM 855 CG LYS A 53 -4.259 19.993 -2.973 1.00 0.45 C ATOM 856 CD LYS A 53 -3.173 20.128 -1.918 1.00 72.11 C ATOM 857 CE LYS A 53 -3.538 21.171 -0.873 1.00 5.12 C ATOM 858 NZ LYS A 53 -2.671 21.073 0.334 1.00 3.31 N ATOM 0 H LYS A 53 -4.648 17.163 -5.177 1.00 55.43 H new ATOM 0 HA LYS A 53 -5.672 19.730 -5.048 1.00 41.21 H new ATOM 0 HB2 LYS A 53 -3.550 18.209 -3.914 1.00 4.21 H new ATOM 0 HB3 LYS A 53 -2.818 19.681 -4.521 1.00 4.21 H new ATOM 0 HG2 LYS A 53 -4.604 20.983 -3.270 1.00 0.45 H new ATOM 0 HG3 LYS A 53 -5.117 19.471 -2.549 1.00 0.45 H new ATOM 0 HD2 LYS A 53 -3.014 19.165 -1.433 1.00 72.11 H new ATOM 0 HD3 LYS A 53 -2.233 20.403 -2.395 1.00 72.11 H new ATOM 0 HE2 LYS A 53 -3.446 22.167 -1.306 1.00 5.12 H new ATOM 0 HE3 LYS A 53 -4.581 21.045 -0.582 1.00 5.12 H new ATOM 0 HZ1 LYS A 53 -2.951 21.800 1.023 1.00 3.31 H new ATOM 0 HZ2 LYS A 53 -2.777 20.131 0.762 1.00 3.31 H new ATOM 0 HZ3 LYS A 53 -1.678 21.219 0.061 1.00 3.31 H new ATOM 872 N MET A 54 -3.527 19.336 -7.460 1.00 14.41 N ATOM 873 CA MET A 54 -2.927 19.975 -8.625 1.00 53.15 C ATOM 874 C MET A 54 -3.985 20.284 -9.681 1.00 25.12 C ATOM 875 O MET A 54 -3.881 21.274 -10.405 1.00 43.22 O ATOM 876 CB MET A 54 -1.841 19.078 -9.222 1.00 40.22 C ATOM 877 CG MET A 54 -0.443 19.667 -9.120 1.00 72.22 C ATOM 878 SD MET A 54 0.685 18.996 -10.356 1.00 70.43 S ATOM 879 CE MET A 54 2.099 20.074 -10.145 1.00 41.42 C ATOM 0 H MET A 54 -3.415 18.323 -7.430 1.00 14.41 H new ATOM 0 HA MET A 54 -2.476 20.913 -8.302 1.00 53.15 H new ATOM 0 HB2 MET A 54 -1.858 18.114 -8.714 1.00 40.22 H new ATOM 0 HB3 MET A 54 -2.072 18.890 -10.271 1.00 40.22 H new ATOM 0 HG2 MET A 54 -0.500 20.749 -9.235 1.00 72.22 H new ATOM 0 HG3 MET A 54 -0.043 19.473 -8.125 1.00 72.22 H new ATOM 0 HE1 MET A 54 2.885 19.784 -10.843 1.00 41.42 H new ATOM 0 HE2 MET A 54 1.803 21.105 -10.339 1.00 41.42 H new ATOM 0 HE3 MET A 54 2.471 19.990 -9.124 1.00 41.42 H new ATOM 889 N ILE A 55 -5.000 19.431 -9.762 1.00 61.30 N ATOM 890 CA ILE A 55 -6.076 19.614 -10.728 1.00 64.14 C ATOM 891 C ILE A 55 -6.695 21.002 -10.605 1.00 44.13 C ATOM 892 O ILE A 55 -6.635 21.803 -11.537 1.00 41.25 O ATOM 893 CB ILE A 55 -7.179 18.554 -10.550 1.00 50.41 C ATOM 894 CG1 ILE A 55 -6.599 17.149 -10.720 1.00 70.22 C ATOM 895 CG2 ILE A 55 -8.307 18.792 -11.544 1.00 24.25 C ATOM 896 CD1 ILE A 55 -7.608 16.046 -10.485 1.00 3.40 C ATOM 0 H ILE A 55 -5.100 18.606 -9.170 1.00 61.30 H new ATOM 0 HA ILE A 55 -5.634 19.503 -11.718 1.00 64.14 H new ATOM 0 HB ILE A 55 -7.585 18.639 -9.542 1.00 50.41 H new ATOM 0 HG12 ILE A 55 -6.194 17.051 -11.727 1.00 70.22 H new ATOM 0 HG13 ILE A 55 -5.766 17.022 -10.028 1.00 70.22 H new ATOM 0 HG21 ILE A 55 -9.079 18.035 -11.406 1.00 24.25 H new ATOM 0 HG22 ILE A 55 -8.735 19.781 -11.379 1.00 24.25 H new ATOM 0 HG23 ILE A 55 -7.916 18.731 -12.560 1.00 24.25 H new ATOM 0 HD11 ILE A 55 -7.127 15.078 -10.623 1.00 3.40 H new ATOM 0 HD12 ILE A 55 -7.995 16.118 -9.469 1.00 3.40 H new ATOM 0 HD13 ILE A 55 -8.429 16.147 -11.194 1.00 3.40 H new ATOM 908 N GLN A 56 -7.287 21.279 -9.448 1.00 42.42 N ATOM 909 CA GLN A 56 -7.916 22.572 -9.203 1.00 22.20 C ATOM 910 C GLN A 56 -6.880 23.692 -9.212 1.00 74.40 C ATOM 911 O GLN A 56 -7.227 24.868 -9.310 1.00 43.22 O ATOM 912 CB GLN A 56 -8.656 22.557 -7.865 1.00 33.44 C ATOM 913 CG GLN A 56 -10.107 22.117 -7.977 1.00 12.10 C ATOM 914 CD GLN A 56 -10.723 21.787 -6.632 1.00 10.35 C ATOM 915 OE1 GLN A 56 -10.164 22.112 -5.584 1.00 0.34 O ATOM 916 NE2 GLN A 56 -11.881 21.138 -6.653 1.00 54.54 N ATOM 0 H GLN A 56 -7.344 20.627 -8.666 1.00 42.42 H new ATOM 0 HA GLN A 56 -8.632 22.757 -10.004 1.00 22.20 H new ATOM 0 HB2 GLN A 56 -8.135 21.890 -7.178 1.00 33.44 H new ATOM 0 HB3 GLN A 56 -8.620 23.555 -7.428 1.00 33.44 H new ATOM 0 HG2 GLN A 56 -10.687 22.908 -8.453 1.00 12.10 H new ATOM 0 HG3 GLN A 56 -10.168 21.242 -8.625 1.00 12.10 H new ATOM 0 HE21 GLN A 56 -12.309 20.888 -7.544 1.00 54.54 H new ATOM 0 HE22 GLN A 56 -12.342 20.889 -5.778 1.00 54.54 H new ATOM 925 N GLU A 57 -5.609 23.316 -9.109 1.00 13.54 N ATOM 926 CA GLU A 57 -4.524 24.290 -9.104 1.00 11.52 C ATOM 927 C GLU A 57 -4.219 24.772 -10.519 1.00 41.12 C ATOM 928 O GLU A 57 -3.905 25.943 -10.735 1.00 15.45 O ATOM 929 CB GLU A 57 -3.267 23.683 -8.478 1.00 2.33 C ATOM 930 CG GLU A 57 -2.171 24.700 -8.204 1.00 71.15 C ATOM 931 CD GLU A 57 -0.999 24.105 -7.448 1.00 13.43 C ATOM 932 OE1 GLU A 57 -0.763 24.526 -6.295 1.00 74.25 O ATOM 933 OE2 GLU A 57 -0.318 23.221 -8.007 1.00 34.20 O ATOM 0 H GLU A 57 -5.306 22.345 -9.028 1.00 13.54 H new ATOM 0 HA GLU A 57 -4.841 25.146 -8.508 1.00 11.52 H new ATOM 0 HB2 GLU A 57 -3.538 23.192 -7.543 1.00 2.33 H new ATOM 0 HB3 GLU A 57 -2.877 22.911 -9.142 1.00 2.33 H new ATOM 0 HG2 GLU A 57 -1.818 25.111 -9.150 1.00 71.15 H new ATOM 0 HG3 GLU A 57 -2.585 25.529 -7.631 1.00 71.15 H new ATOM 940 N HIS A 58 -4.312 23.860 -11.481 1.00 74.35 N ATOM 941 CA HIS A 58 -4.046 24.190 -12.877 1.00 55.50 C ATOM 942 C HIS A 58 -4.113 22.943 -13.753 1.00 54.22 C ATOM 943 O HIS A 58 -4.542 23.003 -14.906 1.00 53.11 O ATOM 944 CB HIS A 58 -2.674 24.851 -13.014 1.00 55.21 C ATOM 945 CG HIS A 58 -2.734 26.252 -13.540 1.00 52.14 C ATOM 946 ND1 HIS A 58 -3.283 26.574 -14.764 1.00 34.34 N ATOM 947 CD2 HIS A 58 -2.311 27.419 -13.001 1.00 50.21 C ATOM 948 CE1 HIS A 58 -3.194 27.878 -14.955 1.00 21.22 C ATOM 949 NE2 HIS A 58 -2.608 28.414 -13.900 1.00 10.35 N ATOM 0 H HIS A 58 -4.570 22.886 -11.320 1.00 74.35 H new ATOM 0 HA HIS A 58 -4.813 24.889 -13.212 1.00 55.50 H new ATOM 0 HB2 HIS A 58 -2.184 24.858 -12.040 1.00 55.21 H new ATOM 0 HB3 HIS A 58 -2.054 24.249 -13.678 1.00 55.21 H new ATOM 0 HD2 HIS A 58 -1.830 27.545 -12.042 1.00 50.21 H new ATOM 0 HE1 HIS A 58 -3.541 28.414 -15.826 1.00 21.22 H new ATOM 0 HE2 HIS A 58 -2.408 29.406 -13.773 1.00 10.35 H new ATOM 957 N THR A 59 -3.686 21.813 -13.199 1.00 62.22 N ATOM 958 CA THR A 59 -3.695 20.552 -13.930 1.00 52.12 C ATOM 959 C THR A 59 -5.035 20.327 -14.621 1.00 13.01 C ATOM 960 O THR A 59 -5.098 19.733 -15.697 1.00 64.33 O ATOM 961 CB THR A 59 -3.404 19.360 -12.999 1.00 12.44 C ATOM 962 OG1 THR A 59 -1.995 19.112 -12.947 1.00 20.32 O ATOM 963 CG2 THR A 59 -4.128 18.110 -13.477 1.00 4.52 C ATOM 0 H THR A 59 -3.329 21.745 -12.246 1.00 62.22 H new ATOM 0 HA THR A 59 -2.908 20.617 -14.681 1.00 52.12 H new ATOM 0 HB THR A 59 -3.765 19.610 -12.001 1.00 12.44 H new ATOM 0 HG1 THR A 59 -1.573 19.747 -12.331 1.00 20.32 H new ATOM 0 HG21 THR A 59 -3.907 17.282 -12.804 1.00 4.52 H new ATOM 0 HG22 THR A 59 -5.202 18.293 -13.487 1.00 4.52 H new ATOM 0 HG23 THR A 59 -3.794 17.858 -14.484 1.00 4.52 H new ATOM 971 N ASP A 60 -6.105 20.806 -13.996 1.00 73.11 N ATOM 972 CA ASP A 60 -7.445 20.658 -14.552 1.00 53.42 C ATOM 973 C ASP A 60 -7.479 21.100 -16.012 1.00 75.10 C ATOM 974 O ASP A 60 -8.220 20.544 -16.823 1.00 74.11 O ATOM 975 CB ASP A 60 -8.451 21.472 -13.737 1.00 35.03 C ATOM 976 CG ASP A 60 -9.856 21.391 -14.302 1.00 63.15 C ATOM 977 OD1 ASP A 60 -10.558 22.424 -14.299 1.00 63.01 O ATOM 978 OD2 ASP A 60 -10.252 20.295 -14.749 1.00 74.44 O ATOM 0 H ASP A 60 -6.071 21.300 -13.104 1.00 73.11 H new ATOM 0 HA ASP A 60 -7.718 19.604 -14.503 1.00 53.42 H new ATOM 0 HB2 ASP A 60 -8.455 21.113 -12.708 1.00 35.03 H new ATOM 0 HB3 ASP A 60 -8.133 22.514 -13.710 1.00 35.03 H new ATOM 983 N LYS A 61 -6.673 22.104 -16.340 1.00 75.01 N ATOM 984 CA LYS A 61 -6.610 22.621 -17.702 1.00 12.31 C ATOM 985 C LYS A 61 -5.656 21.792 -18.555 1.00 43.11 C ATOM 986 O LYS A 61 -5.946 21.488 -19.712 1.00 53.02 O ATOM 987 CB LYS A 61 -6.163 24.085 -17.693 1.00 61.21 C ATOM 988 CG LYS A 61 -5.874 24.641 -19.077 1.00 24.34 C ATOM 989 CD LYS A 61 -6.281 26.100 -19.188 1.00 11.34 C ATOM 990 CE LYS A 61 -7.560 26.262 -19.995 1.00 42.21 C ATOM 991 NZ LYS A 61 -7.970 27.690 -20.104 1.00 32.41 N ATOM 0 H LYS A 61 -6.054 22.576 -15.681 1.00 75.01 H new ATOM 0 HA LYS A 61 -7.608 22.555 -18.136 1.00 12.31 H new ATOM 0 HB2 LYS A 61 -6.938 24.690 -17.222 1.00 61.21 H new ATOM 0 HB3 LYS A 61 -5.268 24.179 -17.078 1.00 61.21 H new ATOM 0 HG2 LYS A 61 -4.811 24.541 -19.295 1.00 24.34 H new ATOM 0 HG3 LYS A 61 -6.409 24.055 -19.824 1.00 24.34 H new ATOM 0 HD2 LYS A 61 -6.424 26.516 -18.191 1.00 11.34 H new ATOM 0 HD3 LYS A 61 -5.478 26.668 -19.658 1.00 11.34 H new ATOM 0 HE2 LYS A 61 -7.414 25.849 -20.993 1.00 42.21 H new ATOM 0 HE3 LYS A 61 -8.360 25.689 -19.526 1.00 42.21 H new ATOM 0 HZ1 LYS A 61 -8.846 27.758 -20.661 1.00 32.41 H new ATOM 0 HZ2 LYS A 61 -8.134 28.078 -19.153 1.00 32.41 H new ATOM 0 HZ3 LYS A 61 -7.217 28.232 -20.574 1.00 32.41 H new ATOM 1005 N PHE A 62 -4.516 21.428 -17.976 1.00 52.13 N ATOM 1006 CA PHE A 62 -3.519 20.633 -18.684 1.00 11.22 C ATOM 1007 C PHE A 62 -4.102 19.292 -19.119 1.00 22.33 C ATOM 1008 O PHE A 62 -3.833 18.814 -20.220 1.00 43.00 O ATOM 1009 CB PHE A 62 -2.294 20.406 -17.796 1.00 44.13 C ATOM 1010 CG PHE A 62 -0.989 20.572 -18.522 1.00 0.42 C ATOM 1011 CD1 PHE A 62 0.087 21.191 -17.907 1.00 2.25 C ATOM 1012 CD2 PHE A 62 -0.839 20.110 -19.819 1.00 50.35 C ATOM 1013 CE1 PHE A 62 1.289 21.346 -18.571 1.00 62.52 C ATOM 1014 CE2 PHE A 62 0.361 20.261 -20.489 1.00 14.31 C ATOM 1015 CZ PHE A 62 1.426 20.881 -19.865 1.00 34.25 C ATOM 0 H PHE A 62 -4.260 21.671 -17.019 1.00 52.13 H new ATOM 0 HA PHE A 62 -3.217 21.183 -19.575 1.00 11.22 H new ATOM 0 HB2 PHE A 62 -2.327 21.104 -16.960 1.00 44.13 H new ATOM 0 HB3 PHE A 62 -2.341 19.402 -17.375 1.00 44.13 H new ATOM 0 HD1 PHE A 62 -0.015 21.557 -16.896 1.00 2.25 H new ATOM 0 HD2 PHE A 62 -1.669 19.626 -20.313 1.00 50.35 H new ATOM 0 HE1 PHE A 62 2.120 21.830 -18.079 1.00 62.52 H new ATOM 0 HE2 PHE A 62 0.466 19.894 -21.499 1.00 14.31 H new ATOM 0 HZ PHE A 62 2.364 21.002 -20.387 1.00 34.25 H new ATOM 1025 N ASN A 63 -4.901 18.689 -18.244 1.00 52.24 N ATOM 1026 CA ASN A 63 -5.521 17.402 -18.537 1.00 15.03 C ATOM 1027 C ASN A 63 -6.298 17.458 -19.849 1.00 31.12 C ATOM 1028 O ASN A 63 -6.543 16.431 -20.483 1.00 3.32 O ATOM 1029 CB ASN A 63 -6.455 16.991 -17.396 1.00 4.31 C ATOM 1030 CG ASN A 63 -6.769 15.508 -17.412 1.00 23.34 C ATOM 1031 OD1 ASN A 63 -7.932 15.108 -17.358 1.00 23.44 O ATOM 1032 ND2 ASN A 63 -5.730 14.684 -17.486 1.00 22.14 N ATOM 0 H ASN A 63 -5.134 19.071 -17.327 1.00 52.24 H new ATOM 0 HA ASN A 63 -4.729 16.660 -18.636 1.00 15.03 H new ATOM 0 HB2 ASN A 63 -5.996 17.252 -16.442 1.00 4.31 H new ATOM 0 HB3 ASN A 63 -7.384 17.557 -17.468 1.00 4.31 H new ATOM 0 HD21 ASN A 63 -5.879 13.675 -17.500 1.00 22.14 H new ATOM 0 HD22 ASN A 63 -4.783 15.060 -17.529 1.00 22.14 H new ATOM 1039 N LYS A 64 -6.683 18.664 -20.251 1.00 51.31 N ATOM 1040 CA LYS A 64 -7.430 18.856 -21.488 1.00 53.53 C ATOM 1041 C LYS A 64 -6.486 19.011 -22.676 1.00 3.31 C ATOM 1042 O LYS A 64 -6.833 18.672 -23.807 1.00 53.34 O ATOM 1043 CB LYS A 64 -8.333 20.087 -21.377 1.00 40.31 C ATOM 1044 CG LYS A 64 -9.796 19.750 -21.148 1.00 71.24 C ATOM 1045 CD LYS A 64 -10.124 19.665 -19.667 1.00 41.21 C ATOM 1046 CE LYS A 64 -11.348 18.798 -19.416 1.00 24.53 C ATOM 1047 NZ LYS A 64 -11.011 17.347 -19.430 1.00 75.11 N ATOM 0 H LYS A 64 -6.490 19.524 -19.738 1.00 51.31 H new ATOM 0 HA LYS A 64 -8.048 17.973 -21.650 1.00 53.53 H new ATOM 0 HB2 LYS A 64 -7.980 20.713 -20.557 1.00 40.31 H new ATOM 0 HB3 LYS A 64 -8.243 20.676 -22.289 1.00 40.31 H new ATOM 0 HG2 LYS A 64 -10.423 20.508 -21.617 1.00 71.24 H new ATOM 0 HG3 LYS A 64 -10.031 18.800 -21.629 1.00 71.24 H new ATOM 0 HD2 LYS A 64 -9.270 19.256 -19.127 1.00 41.21 H new ATOM 0 HD3 LYS A 64 -10.299 20.666 -19.274 1.00 41.21 H new ATOM 0 HE2 LYS A 64 -11.787 19.060 -18.453 1.00 24.53 H new ATOM 0 HE3 LYS A 64 -12.101 19.004 -20.177 1.00 24.53 H new ATOM 0 HZ1 LYS A 64 -11.871 16.789 -19.255 1.00 75.11 H new ATOM 0 HZ2 LYS A 64 -10.615 17.092 -20.357 1.00 75.11 H new ATOM 0 HZ3 LYS A 64 -10.311 17.146 -18.687 1.00 75.11 H new ATOM 1061 N LYS A 65 -5.289 19.524 -22.411 1.00 40.22 N ATOM 1062 CA LYS A 65 -4.292 19.722 -23.457 1.00 73.40 C ATOM 1063 C LYS A 65 -3.502 18.440 -23.705 1.00 13.55 C ATOM 1064 O LYS A 65 -3.397 17.975 -24.839 1.00 21.22 O ATOM 1065 CB LYS A 65 -3.339 20.855 -23.074 1.00 4.52 C ATOM 1066 CG LYS A 65 -3.979 21.919 -22.199 1.00 40.31 C ATOM 1067 CD LYS A 65 -5.183 22.549 -22.878 1.00 54.15 C ATOM 1068 CE LYS A 65 -4.777 23.342 -24.111 1.00 63.54 C ATOM 1069 NZ LYS A 65 -5.234 22.686 -25.368 1.00 31.12 N ATOM 0 H LYS A 65 -4.986 19.810 -21.480 1.00 40.22 H new ATOM 0 HA LYS A 65 -4.814 19.990 -24.376 1.00 73.40 H new ATOM 0 HB2 LYS A 65 -2.480 20.435 -22.551 1.00 4.52 H new ATOM 0 HB3 LYS A 65 -2.961 21.323 -23.983 1.00 4.52 H new ATOM 0 HG2 LYS A 65 -4.285 21.476 -21.251 1.00 40.31 H new ATOM 0 HG3 LYS A 65 -3.245 22.691 -21.968 1.00 40.31 H new ATOM 0 HD2 LYS A 65 -5.891 21.770 -23.162 1.00 54.15 H new ATOM 0 HD3 LYS A 65 -5.696 23.205 -22.175 1.00 54.15 H new ATOM 0 HE2 LYS A 65 -5.197 24.346 -24.052 1.00 63.54 H new ATOM 0 HE3 LYS A 65 -3.693 23.451 -24.132 1.00 63.54 H new ATOM 0 HZ1 LYS A 65 -5.090 23.333 -26.169 1.00 31.12 H new ATOM 0 HZ2 LYS A 65 -4.687 21.815 -25.524 1.00 31.12 H new ATOM 0 HZ3 LYS A 65 -6.244 22.451 -25.290 1.00 31.12 H new ATOM 1083 N MET A 66 -2.950 17.875 -22.636 1.00 14.21 N ATOM 1084 CA MET A 66 -2.172 16.646 -22.738 1.00 74.00 C ATOM 1085 C MET A 66 -3.055 15.478 -23.164 1.00 75.53 C ATOM 1086 O MET A 66 -2.558 14.408 -23.517 1.00 31.12 O ATOM 1087 CB MET A 66 -1.499 16.330 -21.401 1.00 15.52 C ATOM 1088 CG MET A 66 -0.286 17.199 -21.111 1.00 60.13 C ATOM 1089 SD MET A 66 1.267 16.297 -21.270 1.00 43.23 S ATOM 1090 CE MET A 66 2.234 17.455 -22.236 1.00 52.41 C ATOM 0 H MET A 66 -3.027 18.248 -21.690 1.00 14.21 H new ATOM 0 HA MET A 66 -1.404 16.794 -23.497 1.00 74.00 H new ATOM 0 HB2 MET A 66 -2.226 16.456 -20.599 1.00 15.52 H new ATOM 0 HB3 MET A 66 -1.196 15.283 -21.395 1.00 15.52 H new ATOM 0 HG2 MET A 66 -0.280 18.048 -21.794 1.00 60.13 H new ATOM 0 HG3 MET A 66 -0.366 17.603 -20.102 1.00 60.13 H new ATOM 0 HE1 MET A 66 3.225 17.039 -22.418 1.00 52.41 H new ATOM 0 HE2 MET A 66 1.737 17.638 -23.189 1.00 52.41 H new ATOM 0 HE3 MET A 66 2.329 18.394 -21.690 1.00 52.41 H new ATOM 1100 N ARG A 67 -4.367 15.689 -23.129 1.00 50.23 N ATOM 1101 CA ARG A 67 -5.319 14.653 -23.511 1.00 23.33 C ATOM 1102 C ARG A 67 -4.963 14.062 -24.872 1.00 23.02 C ATOM 1103 O ARG A 67 -5.291 12.913 -25.165 1.00 12.00 O ATOM 1104 CB ARG A 67 -6.738 15.222 -23.545 1.00 73.42 C ATOM 1105 CG ARG A 67 -7.071 15.950 -24.837 1.00 75.42 C ATOM 1106 CD ARG A 67 -8.479 16.523 -24.806 1.00 54.32 C ATOM 1107 NE ARG A 67 -8.649 17.609 -25.768 1.00 75.35 N ATOM 1108 CZ ARG A 67 -9.802 18.238 -25.970 1.00 44.31 C ATOM 1109 NH1 ARG A 67 -10.879 17.893 -25.280 1.00 35.43 N ATOM 1110 NH2 ARG A 67 -9.877 19.216 -26.863 1.00 51.55 N ATOM 0 H ARG A 67 -4.795 16.569 -22.840 1.00 50.23 H new ATOM 0 HA ARG A 67 -5.271 13.859 -22.766 1.00 23.33 H new ATOM 0 HB2 ARG A 67 -7.450 14.409 -23.402 1.00 73.42 H new ATOM 0 HB3 ARG A 67 -6.865 15.908 -22.708 1.00 73.42 H new ATOM 0 HG2 ARG A 67 -6.353 16.754 -24.998 1.00 75.42 H new ATOM 0 HG3 ARG A 67 -6.975 15.263 -25.678 1.00 75.42 H new ATOM 0 HD2 ARG A 67 -9.197 15.732 -25.022 1.00 54.32 H new ATOM 0 HD3 ARG A 67 -8.699 16.889 -23.803 1.00 54.32 H new ATOM 0 HE ARG A 67 -7.839 17.900 -26.314 1.00 75.35 H new ATOM 0 HH11 ARG A 67 -10.825 17.143 -24.591 1.00 35.43 H new ATOM 0 HH12 ARG A 67 -11.762 18.378 -25.437 1.00 35.43 H new ATOM 0 HH21 ARG A 67 -9.049 19.485 -27.395 1.00 51.55 H new ATOM 0 HH22 ARG A 67 -10.762 19.699 -27.018 1.00 51.55 H new ATOM 1124 N GLU A 68 -4.290 14.857 -25.698 1.00 62.54 N ATOM 1125 CA GLU A 68 -3.891 14.412 -27.029 1.00 31.13 C ATOM 1126 C GLU A 68 -2.859 13.291 -26.941 1.00 42.51 C ATOM 1127 O GLU A 68 -2.904 12.329 -27.708 1.00 41.11 O ATOM 1128 CB GLU A 68 -3.322 15.583 -27.833 1.00 32.32 C ATOM 1129 CG GLU A 68 -4.305 16.169 -28.833 1.00 21.05 C ATOM 1130 CD GLU A 68 -3.689 16.376 -30.203 1.00 13.23 C ATOM 1131 OE1 GLU A 68 -2.665 17.086 -30.291 1.00 73.22 O ATOM 1132 OE2 GLU A 68 -4.231 15.830 -31.186 1.00 71.30 O ATOM 0 H GLU A 68 -4.010 15.811 -25.470 1.00 62.54 H new ATOM 0 HA GLU A 68 -4.776 14.028 -27.537 1.00 31.13 H new ATOM 0 HB2 GLU A 68 -3.007 16.367 -27.144 1.00 32.32 H new ATOM 0 HB3 GLU A 68 -2.431 15.249 -28.365 1.00 32.32 H new ATOM 0 HG2 GLU A 68 -5.166 15.506 -28.922 1.00 21.05 H new ATOM 0 HG3 GLU A 68 -4.675 17.123 -28.457 1.00 21.05 H new ATOM 1139 N HIS A 69 -1.928 13.424 -26.001 1.00 53.20 N ATOM 1140 CA HIS A 69 -0.884 12.424 -25.812 1.00 60.43 C ATOM 1141 C HIS A 69 -1.296 11.400 -24.758 1.00 40.41 C ATOM 1142 O HIS A 69 -0.495 10.561 -24.348 1.00 21.24 O ATOM 1143 CB HIS A 69 0.427 13.095 -25.403 1.00 42.11 C ATOM 1144 CG HIS A 69 0.940 14.073 -26.414 1.00 42.45 C ATOM 1145 ND1 HIS A 69 2.107 13.880 -27.124 1.00 12.41 N ATOM 1146 CD2 HIS A 69 0.437 15.258 -26.835 1.00 63.42 C ATOM 1147 CE1 HIS A 69 2.300 14.904 -27.936 1.00 41.30 C ATOM 1148 NE2 HIS A 69 1.301 15.754 -27.781 1.00 32.15 N ATOM 0 H HIS A 69 -1.876 14.215 -25.359 1.00 53.20 H new ATOM 0 HA HIS A 69 -0.737 11.905 -26.759 1.00 60.43 H new ATOM 0 HB2 HIS A 69 0.281 13.610 -24.453 1.00 42.11 H new ATOM 0 HB3 HIS A 69 1.182 12.327 -25.237 1.00 42.11 H new ATOM 0 HD2 HIS A 69 -0.474 15.726 -26.491 1.00 63.42 H new ATOM 0 HE1 HIS A 69 3.133 15.026 -28.612 1.00 41.30 H new ATOM 0 HE2 HIS A 69 1.189 16.635 -28.282 1.00 32.15 H new ATOM 1156 N SER A 70 -2.550 11.478 -24.324 1.00 22.43 N ATOM 1157 CA SER A 70 -3.067 10.561 -23.314 1.00 4.31 C ATOM 1158 C SER A 70 -3.166 9.143 -23.867 1.00 70.03 C ATOM 1159 O SER A 70 -3.421 8.194 -23.127 1.00 74.33 O ATOM 1160 CB SER A 70 -4.440 11.028 -22.826 1.00 65.02 C ATOM 1161 OG SER A 70 -5.470 10.201 -23.337 1.00 75.21 O ATOM 0 H SER A 70 -3.226 12.166 -24.655 1.00 22.43 H new ATOM 0 HA SER A 70 -2.373 10.556 -22.474 1.00 4.31 H new ATOM 0 HB2 SER A 70 -4.466 11.015 -21.736 1.00 65.02 H new ATOM 0 HB3 SER A 70 -4.609 12.059 -23.137 1.00 65.02 H new ATOM 0 HG SER A 70 -6.337 10.519 -23.010 1.00 75.21 H new ATOM 1167 N GLU A 71 -2.962 9.009 -25.174 1.00 72.31 N ATOM 1168 CA GLU A 71 -3.030 7.707 -25.827 1.00 63.33 C ATOM 1169 C GLU A 71 -1.900 6.799 -25.349 1.00 71.02 C ATOM 1170 O GLU A 71 -2.110 5.615 -25.084 1.00 70.20 O ATOM 1171 CB GLU A 71 -2.959 7.870 -27.347 1.00 75.51 C ATOM 1172 CG GLU A 71 -4.322 7.901 -28.019 1.00 63.15 C ATOM 1173 CD GLU A 71 -4.230 8.161 -29.510 1.00 54.45 C ATOM 1174 OE1 GLU A 71 -3.154 7.908 -30.092 1.00 34.14 O ATOM 1175 OE2 GLU A 71 -5.234 8.619 -30.096 1.00 20.20 O ATOM 0 H GLU A 71 -2.749 9.785 -25.801 1.00 72.31 H new ATOM 0 HA GLU A 71 -3.981 7.245 -25.562 1.00 63.33 H new ATOM 0 HB2 GLU A 71 -2.427 8.792 -27.581 1.00 75.51 H new ATOM 0 HB3 GLU A 71 -2.375 7.050 -27.765 1.00 75.51 H new ATOM 0 HG2 GLU A 71 -4.828 6.951 -27.850 1.00 63.15 H new ATOM 0 HG3 GLU A 71 -4.934 8.675 -27.556 1.00 63.15 H new ATOM 1182 N HIS A 72 -0.701 7.363 -25.242 1.00 61.41 N ATOM 1183 CA HIS A 72 0.463 6.605 -24.796 1.00 71.12 C ATOM 1184 C HIS A 72 0.564 6.611 -23.274 1.00 22.42 C ATOM 1185 O HIS A 72 1.189 5.732 -22.680 1.00 23.13 O ATOM 1186 CB HIS A 72 1.740 7.185 -25.406 1.00 75.51 C ATOM 1187 CG HIS A 72 2.676 6.143 -25.936 1.00 45.21 C ATOM 1188 ND1 HIS A 72 2.526 5.556 -27.174 1.00 70.35 N ATOM 1189 CD2 HIS A 72 3.782 5.586 -25.389 1.00 31.13 C ATOM 1190 CE1 HIS A 72 3.497 4.681 -27.365 1.00 62.22 C ATOM 1191 NE2 HIS A 72 4.273 4.680 -26.296 1.00 44.34 N ATOM 0 H HIS A 72 -0.510 8.341 -25.458 1.00 61.41 H new ATOM 0 HA HIS A 72 0.345 5.574 -25.131 1.00 71.12 H new ATOM 0 HB2 HIS A 72 1.471 7.865 -26.214 1.00 75.51 H new ATOM 0 HB3 HIS A 72 2.258 7.777 -24.651 1.00 75.51 H new ATOM 0 HD2 HIS A 72 4.200 5.812 -24.419 1.00 31.13 H new ATOM 0 HE1 HIS A 72 3.633 4.070 -28.245 1.00 62.22 H new ATOM 0 HE2 HIS A 72 5.102 4.100 -26.166 1.00 44.34 H new ATOM 1199 N PHE A 73 -0.054 7.607 -22.648 1.00 61.03 N ATOM 1200 CA PHE A 73 -0.032 7.728 -21.195 1.00 42.12 C ATOM 1201 C PHE A 73 -1.070 6.810 -20.557 1.00 62.31 C ATOM 1202 O PHE A 73 -0.764 6.053 -19.635 1.00 63.14 O ATOM 1203 CB PHE A 73 -0.292 9.177 -20.779 1.00 41.30 C ATOM 1204 CG PHE A 73 0.809 10.121 -21.172 1.00 73.32 C ATOM 1205 CD1 PHE A 73 2.136 9.789 -20.951 1.00 74.43 C ATOM 1206 CD2 PHE A 73 0.516 11.340 -21.762 1.00 64.22 C ATOM 1207 CE1 PHE A 73 3.151 10.654 -21.312 1.00 50.32 C ATOM 1208 CE2 PHE A 73 1.527 12.209 -22.126 1.00 4.35 C ATOM 1209 CZ PHE A 73 2.846 11.867 -21.899 1.00 62.32 C ATOM 0 H PHE A 73 -0.576 8.342 -23.124 1.00 61.03 H new ATOM 0 HA PHE A 73 0.956 7.428 -20.845 1.00 42.12 H new ATOM 0 HB2 PHE A 73 -1.226 9.514 -21.229 1.00 41.30 H new ATOM 0 HB3 PHE A 73 -0.426 9.218 -19.698 1.00 41.30 H new ATOM 0 HD1 PHE A 73 2.380 8.843 -20.491 1.00 74.43 H new ATOM 0 HD2 PHE A 73 -0.514 11.614 -21.939 1.00 64.22 H new ATOM 0 HE1 PHE A 73 4.181 10.382 -21.136 1.00 50.32 H new ATOM 0 HE2 PHE A 73 1.286 13.155 -22.588 1.00 4.35 H new ATOM 0 HZ PHE A 73 3.637 12.546 -22.180 1.00 62.32 H new ATOM 1219 N LYS A 74 -2.300 6.882 -21.054 1.00 11.23 N ATOM 1220 CA LYS A 74 -3.385 6.058 -20.534 1.00 52.24 C ATOM 1221 C LYS A 74 -3.027 4.577 -20.609 1.00 54.31 C ATOM 1222 O LYS A 74 -3.593 3.755 -19.889 1.00 12.42 O ATOM 1223 CB LYS A 74 -4.673 6.323 -21.317 1.00 74.40 C ATOM 1224 CG LYS A 74 -5.790 5.343 -21.000 1.00 63.41 C ATOM 1225 CD LYS A 74 -5.862 4.227 -22.030 1.00 4.43 C ATOM 1226 CE LYS A 74 -7.300 3.828 -22.319 1.00 74.02 C ATOM 1227 NZ LYS A 74 -7.802 2.817 -21.348 1.00 4.05 N ATOM 0 H LYS A 74 -2.571 7.503 -21.817 1.00 11.23 H new ATOM 0 HA LYS A 74 -3.541 6.323 -19.488 1.00 52.24 H new ATOM 0 HB2 LYS A 74 -5.017 7.335 -21.103 1.00 74.40 H new ATOM 0 HB3 LYS A 74 -4.455 6.280 -22.384 1.00 74.40 H new ATOM 0 HG2 LYS A 74 -5.630 4.916 -20.010 1.00 63.41 H new ATOM 0 HG3 LYS A 74 -6.742 5.873 -20.969 1.00 63.41 H new ATOM 0 HD2 LYS A 74 -5.381 4.551 -22.953 1.00 4.43 H new ATOM 0 HD3 LYS A 74 -5.308 3.360 -21.668 1.00 4.43 H new ATOM 0 HE2 LYS A 74 -7.936 4.712 -22.284 1.00 74.02 H new ATOM 0 HE3 LYS A 74 -7.369 3.426 -23.330 1.00 74.02 H new ATOM 0 HZ1 LYS A 74 -8.786 2.572 -21.580 1.00 4.05 H new ATOM 0 HZ2 LYS A 74 -7.211 1.963 -21.399 1.00 4.05 H new ATOM 0 HZ3 LYS A 74 -7.761 3.209 -20.386 1.00 4.05 H new ATOM 1241 N ALA A 75 -2.084 4.244 -21.484 1.00 0.50 N ATOM 1242 CA ALA A 75 -1.649 2.863 -21.650 1.00 3.34 C ATOM 1243 C ALA A 75 -0.638 2.474 -20.576 1.00 61.22 C ATOM 1244 O ALA A 75 -0.537 1.307 -20.197 1.00 73.44 O ATOM 1245 CB ALA A 75 -1.055 2.660 -23.035 1.00 64.34 C ATOM 0 H ALA A 75 -1.607 4.912 -22.089 1.00 0.50 H new ATOM 0 HA ALA A 75 -2.521 2.217 -21.543 1.00 3.34 H new ATOM 0 HB1 ALA A 75 -0.734 1.624 -23.145 1.00 64.34 H new ATOM 0 HB2 ALA A 75 -1.807 2.889 -23.790 1.00 64.34 H new ATOM 0 HB3 ALA A 75 -0.198 3.321 -23.164 1.00 64.34 H new ATOM 1251 N LYS A 76 0.110 3.458 -20.090 1.00 1.25 N ATOM 1252 CA LYS A 76 1.114 3.220 -19.059 1.00 35.51 C ATOM 1253 C LYS A 76 0.529 2.406 -17.909 1.00 21.14 C ATOM 1254 O LYS A 76 1.200 1.542 -17.342 1.00 54.53 O ATOM 1255 CB LYS A 76 1.659 4.549 -18.532 1.00 23.41 C ATOM 1256 CG LYS A 76 3.018 4.426 -17.863 1.00 53.15 C ATOM 1257 CD LYS A 76 4.145 4.460 -18.882 1.00 2.15 C ATOM 1258 CE LYS A 76 4.626 5.881 -19.133 1.00 64.11 C ATOM 1259 NZ LYS A 76 5.868 5.909 -19.955 1.00 73.32 N ATOM 0 H LYS A 76 0.040 4.429 -20.394 1.00 1.25 H new ATOM 0 HA LYS A 76 1.930 2.652 -19.505 1.00 35.51 H new ATOM 0 HB2 LYS A 76 1.733 5.255 -19.359 1.00 23.41 H new ATOM 0 HB3 LYS A 76 0.948 4.966 -17.819 1.00 23.41 H new ATOM 0 HG2 LYS A 76 3.148 5.239 -17.148 1.00 53.15 H new ATOM 0 HG3 LYS A 76 3.064 3.495 -17.299 1.00 53.15 H new ATOM 0 HD2 LYS A 76 4.976 3.851 -18.527 1.00 2.15 H new ATOM 0 HD3 LYS A 76 3.804 4.019 -19.819 1.00 2.15 H new ATOM 0 HE2 LYS A 76 3.843 6.446 -19.639 1.00 64.11 H new ATOM 0 HE3 LYS A 76 4.810 6.376 -18.179 1.00 64.11 H new ATOM 0 HZ1 LYS A 76 6.164 6.895 -20.104 1.00 73.32 H new ATOM 0 HZ2 LYS A 76 6.623 5.392 -19.461 1.00 73.32 H new ATOM 0 HZ3 LYS A 76 5.686 5.460 -20.875 1.00 73.32 H new ATOM 1273 N PHE A 77 -0.725 2.686 -17.569 1.00 3.01 N ATOM 1274 CA PHE A 77 -1.399 1.980 -16.486 1.00 75.52 C ATOM 1275 C PHE A 77 -1.236 0.470 -16.637 1.00 23.13 C ATOM 1276 O PHE A 77 -1.098 -0.252 -15.649 1.00 55.34 O ATOM 1277 CB PHE A 77 -2.886 2.343 -16.460 1.00 63.42 C ATOM 1278 CG PHE A 77 -3.278 3.178 -15.275 1.00 60.02 C ATOM 1279 CD1 PHE A 77 -2.928 2.791 -13.992 1.00 10.03 C ATOM 1280 CD2 PHE A 77 -3.997 4.350 -15.445 1.00 13.01 C ATOM 1281 CE1 PHE A 77 -3.287 3.558 -12.899 1.00 71.30 C ATOM 1282 CE2 PHE A 77 -4.359 5.121 -14.356 1.00 62.12 C ATOM 1283 CZ PHE A 77 -4.004 4.724 -13.082 1.00 34.44 C ATOM 0 H PHE A 77 -1.295 3.397 -18.028 1.00 3.01 H new ATOM 0 HA PHE A 77 -0.940 2.286 -15.546 1.00 75.52 H new ATOM 0 HB2 PHE A 77 -3.136 2.883 -17.373 1.00 63.42 H new ATOM 0 HB3 PHE A 77 -3.476 1.426 -16.460 1.00 63.42 H new ATOM 0 HD1 PHE A 77 -2.368 1.879 -13.844 1.00 10.03 H new ATOM 0 HD2 PHE A 77 -4.278 4.665 -16.439 1.00 13.01 H new ATOM 0 HE1 PHE A 77 -3.007 3.246 -11.904 1.00 71.30 H new ATOM 0 HE2 PHE A 77 -4.919 6.033 -14.502 1.00 62.12 H new ATOM 0 HZ PHE A 77 -4.287 5.324 -12.230 1.00 34.44 H new ATOM 1293 N ALA A 78 -1.252 0.000 -17.880 1.00 10.03 N ATOM 1294 CA ALA A 78 -1.104 -1.423 -18.161 1.00 10.44 C ATOM 1295 C ALA A 78 0.247 -1.940 -17.679 1.00 44.53 C ATOM 1296 O ALA A 78 0.350 -3.056 -17.171 1.00 55.44 O ATOM 1297 CB ALA A 78 -1.273 -1.687 -19.649 1.00 44.15 C ATOM 0 H ALA A 78 -1.366 0.584 -18.709 1.00 10.03 H new ATOM 0 HA ALA A 78 -1.883 -1.959 -17.618 1.00 10.44 H new ATOM 0 HB1 ALA A 78 -1.160 -2.753 -19.844 1.00 44.15 H new ATOM 0 HB2 ALA A 78 -2.264 -1.363 -19.966 1.00 44.15 H new ATOM 0 HB3 ALA A 78 -0.516 -1.134 -20.205 1.00 44.15 H new ATOM 1303 N GLU A 79 1.282 -1.121 -17.843 1.00 53.34 N ATOM 1304 CA GLU A 79 2.627 -1.498 -17.426 1.00 42.44 C ATOM 1305 C GLU A 79 2.863 -1.139 -15.962 1.00 23.31 C ATOM 1306 O GLU A 79 3.749 -1.694 -15.310 1.00 71.41 O ATOM 1307 CB GLU A 79 3.670 -0.806 -18.307 1.00 25.14 C ATOM 1308 CG GLU A 79 5.061 -0.779 -17.695 1.00 62.32 C ATOM 1309 CD GLU A 79 5.594 -2.167 -17.397 1.00 21.15 C ATOM 1310 OE1 GLU A 79 6.635 -2.268 -16.713 1.00 73.03 O ATOM 1311 OE2 GLU A 79 4.971 -3.152 -17.846 1.00 3.24 O ATOM 0 H GLU A 79 1.214 -0.193 -18.261 1.00 53.34 H new ATOM 0 HA GLU A 79 2.726 -2.578 -17.538 1.00 42.44 H new ATOM 0 HB2 GLU A 79 3.715 -1.315 -19.270 1.00 25.14 H new ATOM 0 HB3 GLU A 79 3.348 0.217 -18.502 1.00 25.14 H new ATOM 0 HG2 GLU A 79 5.744 -0.270 -18.376 1.00 62.32 H new ATOM 0 HG3 GLU A 79 5.037 -0.197 -16.773 1.00 62.32 H new ATOM 1318 N LEU A 80 2.066 -0.208 -15.451 1.00 52.21 N ATOM 1319 CA LEU A 80 2.187 0.226 -14.064 1.00 1.24 C ATOM 1320 C LEU A 80 2.232 -0.972 -13.120 1.00 44.43 C ATOM 1321 O LEU A 80 3.108 -1.064 -12.259 1.00 33.24 O ATOM 1322 CB LEU A 80 1.018 1.140 -13.690 1.00 64.14 C ATOM 1323 CG LEU A 80 1.081 1.776 -12.301 1.00 51.24 C ATOM 1324 CD1 LEU A 80 0.228 3.034 -12.252 1.00 12.14 C ATOM 1325 CD2 LEU A 80 0.632 0.783 -11.239 1.00 45.02 C ATOM 0 H LEU A 80 1.328 0.261 -15.977 1.00 52.21 H new ATOM 0 HA LEU A 80 3.120 0.780 -13.963 1.00 1.24 H new ATOM 0 HB2 LEU A 80 0.955 1.938 -14.430 1.00 64.14 H new ATOM 0 HB3 LEU A 80 0.095 0.564 -13.763 1.00 64.14 H new ATOM 0 HG LEU A 80 2.115 2.054 -12.096 1.00 51.24 H new ATOM 0 HD11 LEU A 80 0.285 3.473 -11.256 1.00 12.14 H new ATOM 0 HD12 LEU A 80 0.595 3.751 -12.986 1.00 12.14 H new ATOM 0 HD13 LEU A 80 -0.808 2.780 -12.478 1.00 12.14 H new ATOM 0 HD21 LEU A 80 0.683 1.253 -10.257 1.00 45.02 H new ATOM 0 HD22 LEU A 80 -0.394 0.474 -11.440 1.00 45.02 H new ATOM 0 HD23 LEU A 80 1.284 -0.090 -11.258 1.00 45.02 H new ATOM 1337 N LEU A 81 1.285 -1.888 -13.290 1.00 45.31 N ATOM 1338 CA LEU A 81 1.218 -3.082 -12.455 1.00 60.23 C ATOM 1339 C LEU A 81 2.573 -3.780 -12.393 1.00 73.44 C ATOM 1340 O LEU A 81 2.919 -4.395 -11.385 1.00 1.40 O ATOM 1341 CB LEU A 81 0.159 -4.046 -12.994 1.00 0.31 C ATOM 1342 CG LEU A 81 -1.252 -3.876 -12.429 1.00 62.41 C ATOM 1343 CD1 LEU A 81 -2.221 -3.468 -13.527 1.00 50.43 C ATOM 1344 CD2 LEU A 81 -1.715 -5.161 -11.757 1.00 50.14 C ATOM 0 H LEU A 81 0.553 -1.827 -13.998 1.00 45.31 H new ATOM 0 HA LEU A 81 0.942 -2.775 -11.446 1.00 60.23 H new ATOM 0 HB2 LEU A 81 0.111 -3.933 -14.077 1.00 0.31 H new ATOM 0 HB3 LEU A 81 0.489 -5.065 -12.794 1.00 0.31 H new ATOM 0 HG LEU A 81 -1.230 -3.085 -11.680 1.00 62.41 H new ATOM 0 HD11 LEU A 81 -3.220 -3.352 -13.106 1.00 50.43 H new ATOM 0 HD12 LEU A 81 -1.899 -2.523 -13.964 1.00 50.43 H new ATOM 0 HD13 LEU A 81 -2.240 -4.237 -14.300 1.00 50.43 H new ATOM 0 HD21 LEU A 81 -2.721 -5.022 -11.361 1.00 50.14 H new ATOM 0 HD22 LEU A 81 -1.721 -5.971 -12.486 1.00 50.14 H new ATOM 0 HD23 LEU A 81 -1.035 -5.411 -10.942 1.00 50.14 H new ATOM 1356 N GLU A 82 3.335 -3.680 -13.478 1.00 10.51 N ATOM 1357 CA GLU A 82 4.653 -4.301 -13.545 1.00 55.32 C ATOM 1358 C GLU A 82 5.718 -3.383 -12.952 1.00 35.15 C ATOM 1359 O GLU A 82 6.643 -3.842 -12.282 1.00 53.02 O ATOM 1360 CB GLU A 82 5.007 -4.641 -14.994 1.00 40.13 C ATOM 1361 CG GLU A 82 6.046 -5.742 -15.124 1.00 74.23 C ATOM 1362 CD GLU A 82 6.136 -6.296 -16.533 1.00 40.52 C ATOM 1363 OE1 GLU A 82 5.157 -6.142 -17.294 1.00 23.41 O ATOM 1364 OE2 GLU A 82 7.184 -6.881 -16.875 1.00 63.41 O ATOM 0 H GLU A 82 3.063 -3.175 -14.322 1.00 10.51 H new ATOM 0 HA GLU A 82 4.624 -5.220 -12.960 1.00 55.32 H new ATOM 0 HB2 GLU A 82 4.101 -4.944 -15.519 1.00 40.13 H new ATOM 0 HB3 GLU A 82 5.377 -3.743 -15.489 1.00 40.13 H new ATOM 0 HG2 GLU A 82 7.020 -5.354 -14.827 1.00 74.23 H new ATOM 0 HG3 GLU A 82 5.802 -6.550 -14.435 1.00 74.23 H new ATOM 1371 N GLN A 83 5.579 -2.085 -13.203 1.00 20.42 N ATOM 1372 CA GLN A 83 6.530 -1.104 -12.694 1.00 53.44 C ATOM 1373 C GLN A 83 6.629 -1.178 -11.174 1.00 73.04 C ATOM 1374 O GLN A 83 7.623 -0.753 -10.587 1.00 21.31 O ATOM 1375 CB GLN A 83 6.117 0.306 -13.122 1.00 63.11 C ATOM 1376 CG GLN A 83 7.081 0.949 -14.107 1.00 15.34 C ATOM 1377 CD GLN A 83 7.833 2.120 -13.506 1.00 41.31 C ATOM 1378 OE1 GLN A 83 7.964 3.174 -14.129 1.00 54.40 O ATOM 1379 NE2 GLN A 83 8.333 1.941 -12.289 1.00 43.51 N ATOM 0 H GLN A 83 4.818 -1.689 -13.755 1.00 20.42 H new ATOM 0 HA GLN A 83 7.509 -1.333 -13.114 1.00 53.44 H new ATOM 0 HB2 GLN A 83 5.125 0.264 -13.572 1.00 63.11 H new ATOM 0 HB3 GLN A 83 6.040 0.938 -12.237 1.00 63.11 H new ATOM 0 HG2 GLN A 83 7.795 0.201 -14.451 1.00 15.34 H new ATOM 0 HG3 GLN A 83 6.528 1.288 -14.983 1.00 15.34 H new ATOM 0 HE21 GLN A 83 8.201 1.051 -11.809 1.00 43.51 H new ATOM 0 HE22 GLN A 83 8.849 2.694 -11.834 1.00 43.51 H new ATOM 1388 N GLN A 84 5.591 -1.720 -10.545 1.00 2.24 N ATOM 1389 CA GLN A 84 5.562 -1.848 -9.092 1.00 71.44 C ATOM 1390 C GLN A 84 6.866 -2.443 -8.572 1.00 63.01 C ATOM 1391 O GLN A 84 7.310 -2.124 -7.469 1.00 45.31 O ATOM 1392 CB GLN A 84 4.382 -2.720 -8.660 1.00 72.53 C ATOM 1393 CG GLN A 84 4.384 -3.056 -7.178 1.00 11.45 C ATOM 1394 CD GLN A 84 4.820 -4.481 -6.902 1.00 4.00 C ATOM 1395 OE1 GLN A 84 6.010 -4.796 -6.937 1.00 3.23 O ATOM 1396 NE2 GLN A 84 3.857 -5.352 -6.626 1.00 22.42 N ATOM 0 H GLN A 84 4.760 -2.077 -11.017 1.00 2.24 H new ATOM 0 HA GLN A 84 5.444 -0.851 -8.667 1.00 71.44 H new ATOM 0 HB2 GLN A 84 3.452 -2.207 -8.906 1.00 72.53 H new ATOM 0 HB3 GLN A 84 4.396 -3.646 -9.234 1.00 72.53 H new ATOM 0 HG2 GLN A 84 5.049 -2.369 -6.655 1.00 11.45 H new ATOM 0 HG3 GLN A 84 3.384 -2.902 -6.773 1.00 11.45 H new ATOM 0 HE21 GLN A 84 2.884 -5.047 -6.608 1.00 22.42 H new ATOM 0 HE22 GLN A 84 4.090 -6.326 -6.432 1.00 22.42 H new ATOM 1405 N LYS A 85 7.476 -3.310 -9.373 1.00 24.21 N ATOM 1406 CA LYS A 85 8.731 -3.950 -8.995 1.00 11.12 C ATOM 1407 C LYS A 85 9.921 -3.060 -9.340 1.00 31.12 C ATOM 1408 O LYS A 85 10.814 -2.856 -8.519 1.00 32.35 O ATOM 1409 CB LYS A 85 8.870 -5.302 -9.699 1.00 3.44 C ATOM 1410 CG LYS A 85 9.089 -6.464 -8.746 1.00 13.15 C ATOM 1411 CD LYS A 85 9.307 -7.767 -9.496 1.00 31.00 C ATOM 1412 CE LYS A 85 9.152 -8.971 -8.579 1.00 54.23 C ATOM 1413 NZ LYS A 85 7.765 -9.089 -8.049 1.00 61.11 N ATOM 0 H LYS A 85 7.121 -3.586 -10.289 1.00 24.21 H new ATOM 0 HA LYS A 85 8.719 -4.108 -7.917 1.00 11.12 H new ATOM 0 HB2 LYS A 85 7.972 -5.490 -10.287 1.00 3.44 H new ATOM 0 HB3 LYS A 85 9.705 -5.254 -10.398 1.00 3.44 H new ATOM 0 HG2 LYS A 85 9.952 -6.259 -8.113 1.00 13.15 H new ATOM 0 HG3 LYS A 85 8.227 -6.563 -8.087 1.00 13.15 H new ATOM 0 HD2 LYS A 85 8.593 -7.839 -10.317 1.00 31.00 H new ATOM 0 HD3 LYS A 85 10.303 -7.771 -9.938 1.00 31.00 H new ATOM 0 HE2 LYS A 85 9.411 -9.879 -9.124 1.00 54.23 H new ATOM 0 HE3 LYS A 85 9.853 -8.887 -7.748 1.00 54.23 H new ATOM 0 HZ1 LYS A 85 7.594 -10.066 -7.738 1.00 61.11 H new ATOM 0 HZ2 LYS A 85 7.645 -8.443 -7.243 1.00 61.11 H new ATOM 0 HZ3 LYS A 85 7.086 -8.840 -8.796 1.00 61.11 H new