USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot -67:sc= 1.08 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= 0.772 F(o=-1.7,f=1.9) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -0.482 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.682 X(o=-1.2,f=-1.6) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -50:sc= -2.04! USER MOD Single : A 14 GLN : amide:sc= -0.215 K(o=-0.22,f=-3.8!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.0237 F(o=-1.3,f=-0.024) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.11) USER MOD Single : A 19 HIS : no HD1:sc= -0.355 X(o=-0.35,f=0.08) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0287 F(o=-0.7,f=-0.029) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 95:sc= -0.372 USER MOD Single : A 39 TYR OH : rot -178:sc= 0.46 USER MOD Single : A 42 THR OG1 : rot 38:sc= 0.81 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -1.15 (180deg=-2.62!) USER MOD Single : A 50 TYR OH : rot 32:sc= 0.474 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.69 USER MOD Single : A 63 TYR OH : rot -158:sc= 0.37 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0493 (180deg=-0.254) USER MOD Single : A 80 SER OG : rot 73:sc= 0.569 USER MOD Single : A 83 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.7) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= 1.1 (180deg=-0.0435) USER MOD Single : A 94 HIS : no HE2:sc= -0.0702 X(o=-0.07,f=-0.54) USER MOD Single : A 95 HIS : +bothHN:sc= -0.0708 K(o=-0.071,f=-3.5) USER MOD Single : A 96 HIS : no HD1:sc= -0.0045 X(o=-0.0045,f=-0.26) USER MOD Single : A 97 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-0.38) USER MOD Single : A 98 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-1.6) USER MOD Single : A 99 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.157 2.401 -2.596 1.00 42.21 N ATOM 2 CA GLU A 1 2.071 2.402 -3.773 1.00 15.03 C ATOM 3 C GLU A 1 2.441 0.963 -4.177 1.00 10.22 C ATOM 4 O GLU A 1 3.317 0.334 -3.574 1.00 43.21 O ATOM 5 CB GLU A 1 3.331 3.216 -3.448 1.00 25.41 C ATOM 6 CG GLU A 1 4.286 3.384 -4.622 1.00 60.40 C ATOM 7 CD GLU A 1 5.578 4.072 -4.222 1.00 22.10 C ATOM 8 OE1 GLU A 1 6.447 3.400 -3.624 1.00 62.32 O ATOM 9 OE2 GLU A 1 5.722 5.282 -4.489 1.00 25.44 O ATOM 0 H1 GLU A 1 0.920 3.381 -2.340 1.00 42.21 H new ATOM 0 H2 GLU A 1 0.286 1.885 -2.833 1.00 42.21 H new ATOM 0 H3 GLU A 1 1.626 1.937 -1.792 1.00 42.21 H new ATOM 0 HA GLU A 1 1.560 2.864 -4.617 1.00 15.03 H new ATOM 0 HB2 GLU A 1 3.031 4.202 -3.094 1.00 25.41 H new ATOM 0 HB3 GLU A 1 3.862 2.731 -2.629 1.00 25.41 H new ATOM 0 HG2 GLU A 1 4.514 2.405 -5.044 1.00 60.40 H new ATOM 0 HG3 GLU A 1 3.797 3.963 -5.405 1.00 60.40 H new ATOM 18 N ASP A 2 1.771 0.456 -5.209 1.00 25.04 N ATOM 19 CA ASP A 2 1.835 -0.963 -5.579 1.00 4.44 C ATOM 20 C ASP A 2 2.603 -1.175 -6.909 1.00 52.12 C ATOM 21 O ASP A 2 2.934 -0.209 -7.589 1.00 43.03 O ATOM 22 CB ASP A 2 0.400 -1.495 -5.671 1.00 60.43 C ATOM 23 CG ASP A 2 -0.386 -1.207 -4.403 1.00 14.24 C ATOM 24 OD1 ASP A 2 -0.207 -1.938 -3.404 1.00 34.05 O ATOM 25 OD2 ASP A 2 -1.162 -0.228 -4.391 1.00 25.03 O ATOM 0 H ASP A 2 1.168 1.013 -5.814 1.00 25.04 H new ATOM 0 HA ASP A 2 2.388 -1.515 -4.819 1.00 4.44 H new ATOM 0 HB2 ASP A 2 -0.104 -1.039 -6.523 1.00 60.43 H new ATOM 0 HB3 ASP A 2 0.421 -2.570 -5.851 1.00 60.43 H new ATOM 30 N PRO A 3 2.907 -2.444 -7.291 1.00 42.02 N ATOM 31 CA PRO A 3 3.696 -2.767 -8.508 1.00 10.40 C ATOM 32 C PRO A 3 3.315 -1.979 -9.780 1.00 0.41 C ATOM 33 O PRO A 3 4.156 -1.781 -10.658 1.00 4.24 O ATOM 34 CB PRO A 3 3.412 -4.257 -8.706 1.00 11.33 C ATOM 35 CG PRO A 3 3.224 -4.779 -7.324 1.00 64.20 C ATOM 36 CD PRO A 3 2.536 -3.677 -6.555 1.00 65.34 C ATOM 0 HA PRO A 3 4.743 -2.499 -8.362 1.00 10.40 H new ATOM 0 HB2 PRO A 3 2.523 -4.415 -9.316 1.00 11.33 H new ATOM 0 HB3 PRO A 3 4.239 -4.756 -9.212 1.00 11.33 H new ATOM 0 HG2 PRO A 3 2.621 -5.687 -7.328 1.00 64.20 H new ATOM 0 HG3 PRO A 3 4.181 -5.034 -6.869 1.00 64.20 H new ATOM 0 HD2 PRO A 3 1.456 -3.819 -6.533 1.00 65.34 H new ATOM 0 HD3 PRO A 3 2.874 -3.641 -5.519 1.00 65.34 H new ATOM 44 N GLU A 4 2.061 -1.543 -9.893 1.00 52.52 N ATOM 45 CA GLU A 4 1.601 -0.818 -11.092 1.00 14.02 C ATOM 46 C GLU A 4 2.021 0.664 -11.086 1.00 51.42 C ATOM 47 O GLU A 4 2.090 1.300 -12.142 1.00 23.55 O ATOM 48 CB GLU A 4 0.078 -0.928 -11.230 1.00 12.21 C ATOM 49 CG GLU A 4 -0.403 -2.340 -11.546 1.00 12.33 C ATOM 50 CD GLU A 4 -1.918 -2.451 -11.595 1.00 1.03 C ATOM 51 OE1 GLU A 4 -2.521 -2.029 -12.603 1.00 11.24 O ATOM 52 OE2 GLU A 4 -2.513 -2.956 -10.619 1.00 73.21 O ATOM 0 H GLU A 4 1.345 -1.674 -9.178 1.00 52.52 H new ATOM 0 HA GLU A 4 2.083 -1.288 -11.949 1.00 14.02 H new ATOM 0 HB2 GLU A 4 -0.388 -0.593 -10.304 1.00 12.21 H new ATOM 0 HB3 GLU A 4 -0.257 -0.253 -12.018 1.00 12.21 H new ATOM 0 HG2 GLU A 4 0.011 -2.653 -12.505 1.00 12.33 H new ATOM 0 HG3 GLU A 4 -0.017 -3.027 -10.793 1.00 12.33 H new ATOM 59 N ASP A 5 2.291 1.210 -9.902 1.00 61.35 N ATOM 60 CA ASP A 5 2.721 2.607 -9.769 1.00 3.25 C ATOM 61 C ASP A 5 4.074 2.856 -10.468 1.00 12.32 C ATOM 62 O ASP A 5 4.982 2.022 -10.397 1.00 60.23 O ATOM 63 CB ASP A 5 2.801 2.990 -8.288 1.00 72.20 C ATOM 64 CG ASP A 5 1.437 2.982 -7.622 1.00 32.25 C ATOM 65 OD1 ASP A 5 0.844 1.891 -7.478 1.00 40.44 O ATOM 66 OD2 ASP A 5 0.938 4.065 -7.254 1.00 63.44 O ATOM 0 H ASP A 5 2.220 0.708 -9.017 1.00 61.35 H new ATOM 0 HA ASP A 5 1.980 3.236 -10.262 1.00 3.25 H new ATOM 0 HB2 ASP A 5 3.461 2.295 -7.769 1.00 72.20 H new ATOM 0 HB3 ASP A 5 3.244 3.981 -8.194 1.00 72.20 H new ATOM 71 N PRO A 6 4.222 4.024 -11.142 1.00 72.01 N ATOM 72 CA PRO A 6 5.411 4.353 -11.957 1.00 40.12 C ATOM 73 C PRO A 6 6.750 4.017 -11.280 1.00 22.04 C ATOM 74 O PRO A 6 7.517 3.193 -11.780 1.00 14.20 O ATOM 75 CB PRO A 6 5.290 5.868 -12.157 1.00 14.00 C ATOM 76 CG PRO A 6 3.828 6.144 -12.095 1.00 12.13 C ATOM 77 CD PRO A 6 3.233 5.124 -11.154 1.00 71.01 C ATOM 0 HA PRO A 6 5.424 3.768 -12.877 1.00 40.12 H new ATOM 0 HB2 PRO A 6 5.829 6.414 -11.382 1.00 14.00 H new ATOM 0 HB3 PRO A 6 5.710 6.175 -13.114 1.00 14.00 H new ATOM 0 HG2 PRO A 6 3.640 7.156 -11.737 1.00 12.13 H new ATOM 0 HG3 PRO A 6 3.377 6.067 -13.084 1.00 12.13 H new ATOM 0 HD2 PRO A 6 3.087 5.539 -10.157 1.00 71.01 H new ATOM 0 HD3 PRO A 6 2.259 4.781 -11.502 1.00 71.01 H new ATOM 85 N PHE A 7 7.019 4.651 -10.140 1.00 73.44 N ATOM 86 CA PHE A 7 8.292 4.467 -9.436 1.00 22.32 C ATOM 87 C PHE A 7 8.467 3.024 -8.935 1.00 64.24 C ATOM 88 O PHE A 7 9.588 2.520 -8.852 1.00 15.34 O ATOM 89 CB PHE A 7 8.391 5.448 -8.259 1.00 13.31 C ATOM 90 CG PHE A 7 9.745 5.458 -7.587 1.00 61.40 C ATOM 91 CD1 PHE A 7 10.813 6.129 -8.167 1.00 41.30 C ATOM 92 CD2 PHE A 7 9.948 4.801 -6.381 1.00 34.51 C ATOM 93 CE1 PHE A 7 12.054 6.142 -7.558 1.00 15.25 C ATOM 94 CE2 PHE A 7 11.188 4.812 -5.770 1.00 73.55 C ATOM 95 CZ PHE A 7 12.241 5.484 -6.358 1.00 73.35 C ATOM 0 H PHE A 7 6.375 5.296 -9.683 1.00 73.44 H new ATOM 0 HA PHE A 7 9.093 4.669 -10.147 1.00 22.32 H new ATOM 0 HB2 PHE A 7 8.165 6.453 -8.615 1.00 13.31 H new ATOM 0 HB3 PHE A 7 7.631 5.193 -7.521 1.00 13.31 H new ATOM 0 HD1 PHE A 7 10.673 6.647 -9.104 1.00 41.30 H new ATOM 0 HD2 PHE A 7 9.128 4.275 -5.915 1.00 34.51 H new ATOM 0 HE1 PHE A 7 12.877 6.667 -8.020 1.00 15.25 H new ATOM 0 HE2 PHE A 7 11.333 4.295 -4.833 1.00 73.55 H new ATOM 0 HZ PHE A 7 13.210 5.495 -5.880 1.00 73.35 H new ATOM 105 N THR A 8 7.362 2.356 -8.614 1.00 41.32 N ATOM 106 CA THR A 8 7.425 0.983 -8.091 1.00 12.45 C ATOM 107 C THR A 8 7.863 -0.012 -9.173 1.00 62.20 C ATOM 108 O THR A 8 8.842 -0.735 -9.003 1.00 70.02 O ATOM 109 CB THR A 8 6.067 0.531 -7.511 1.00 34.14 C ATOM 110 OG1 THR A 8 5.594 1.495 -6.564 1.00 72.25 O ATOM 111 CG2 THR A 8 6.185 -0.825 -6.825 1.00 24.14 C ATOM 0 H THR A 8 6.419 2.733 -8.703 1.00 41.32 H new ATOM 0 HA THR A 8 8.167 0.992 -7.292 1.00 12.45 H new ATOM 0 HB THR A 8 5.363 0.445 -8.338 1.00 34.14 H new ATOM 0 HG1 THR A 8 6.306 1.700 -5.922 1.00 72.25 H new ATOM 0 HG21 THR A 8 5.213 -1.117 -6.427 1.00 24.14 H new ATOM 0 HG22 THR A 8 6.520 -1.570 -7.547 1.00 24.14 H new ATOM 0 HG23 THR A 8 6.906 -0.759 -6.010 1.00 24.14 H new ATOM 119 N ARG A 9 7.139 -0.041 -10.293 1.00 41.10 N ATOM 120 CA ARG A 9 7.506 -0.904 -11.429 1.00 62.51 C ATOM 121 C ARG A 9 8.890 -0.526 -11.980 1.00 73.45 C ATOM 122 O ARG A 9 9.645 -1.384 -12.442 1.00 71.55 O ATOM 123 CB ARG A 9 6.439 -0.816 -12.528 1.00 72.45 C ATOM 124 CG ARG A 9 6.134 0.606 -12.987 1.00 64.21 C ATOM 125 CD ARG A 9 4.935 0.649 -13.925 1.00 1.23 C ATOM 126 NE ARG A 9 5.146 -0.158 -15.124 1.00 5.11 N ATOM 127 CZ ARG A 9 4.191 -0.529 -15.932 1.00 20.12 C ATOM 128 NH1 ARG A 9 2.977 -0.119 -15.749 1.00 42.02 N ATOM 129 NH2 ARG A 9 4.458 -1.287 -16.942 1.00 50.24 N ATOM 0 H ARG A 9 6.299 0.518 -10.443 1.00 41.10 H new ATOM 0 HA ARG A 9 7.557 -1.934 -11.077 1.00 62.51 H new ATOM 0 HB2 ARG A 9 6.768 -1.401 -13.387 1.00 72.45 H new ATOM 0 HB3 ARG A 9 5.519 -1.274 -12.164 1.00 72.45 H new ATOM 0 HG2 ARG A 9 5.940 1.235 -12.118 1.00 64.21 H new ATOM 0 HG3 ARG A 9 7.006 1.021 -13.492 1.00 64.21 H new ATOM 0 HD2 ARG A 9 4.050 0.291 -13.398 1.00 1.23 H new ATOM 0 HD3 ARG A 9 4.738 1.681 -14.214 1.00 1.23 H new ATOM 0 HE ARG A 9 6.099 -0.449 -15.343 1.00 5.11 H new ATOM 0 HH11 ARG A 9 2.760 0.500 -14.968 1.00 42.02 H new ATOM 0 HH12 ARG A 9 2.237 -0.415 -16.386 1.00 42.02 H new ATOM 0 HH21 ARG A 9 5.416 -1.596 -17.109 1.00 50.24 H new ATOM 0 HH22 ARG A 9 3.711 -1.577 -17.574 1.00 50.24 H new ATOM 143 N TYR A 10 9.207 0.765 -11.917 1.00 0.31 N ATOM 144 CA TYR A 10 10.545 1.272 -12.238 1.00 45.01 C ATOM 145 C TYR A 10 11.608 0.618 -11.334 1.00 5.12 C ATOM 146 O TYR A 10 12.619 0.099 -11.811 1.00 51.20 O ATOM 147 CB TYR A 10 10.541 2.800 -12.065 1.00 33.41 C ATOM 148 CG TYR A 10 11.898 3.478 -12.144 1.00 22.52 C ATOM 149 CD1 TYR A 10 12.480 3.787 -13.369 1.00 14.13 C ATOM 150 CD2 TYR A 10 12.576 3.847 -10.985 1.00 53.44 C ATOM 151 CE1 TYR A 10 13.696 4.440 -13.436 1.00 11.31 C ATOM 152 CE2 TYR A 10 13.793 4.493 -11.047 1.00 60.20 C ATOM 153 CZ TYR A 10 14.346 4.790 -12.272 1.00 43.22 C ATOM 154 OH TYR A 10 15.550 5.448 -12.334 1.00 31.51 O ATOM 0 H TYR A 10 8.546 1.492 -11.642 1.00 0.31 H new ATOM 0 HA TYR A 10 10.798 1.021 -13.268 1.00 45.01 H new ATOM 0 HB2 TYR A 10 9.895 3.232 -12.830 1.00 33.41 H new ATOM 0 HB3 TYR A 10 10.094 3.036 -11.100 1.00 33.41 H new ATOM 0 HD1 TYR A 10 11.973 3.512 -14.282 1.00 14.13 H new ATOM 0 HD2 TYR A 10 12.142 3.624 -10.022 1.00 53.44 H new ATOM 0 HE1 TYR A 10 14.134 4.675 -14.395 1.00 11.31 H new ATOM 0 HE2 TYR A 10 14.310 4.765 -10.138 1.00 60.20 H new ATOM 0 HH TYR A 10 15.875 5.622 -11.426 1.00 31.51 H new ATOM 164 N ALA A 11 11.349 0.629 -10.024 1.00 31.40 N ATOM 165 CA ALA A 11 12.249 0.010 -9.041 1.00 5.10 C ATOM 166 C ALA A 11 12.391 -1.504 -9.275 1.00 74.21 C ATOM 167 O ALA A 11 13.503 -2.030 -9.332 1.00 32.15 O ATOM 168 CB ALA A 11 11.748 0.286 -7.624 1.00 23.12 C ATOM 0 H ALA A 11 10.520 1.061 -9.616 1.00 31.40 H new ATOM 0 HA ALA A 11 13.236 0.455 -9.165 1.00 5.10 H new ATOM 0 HB1 ALA A 11 12.422 -0.177 -6.903 1.00 23.12 H new ATOM 0 HB2 ALA A 11 11.717 1.362 -7.452 1.00 23.12 H new ATOM 0 HB3 ALA A 11 10.748 -0.130 -7.504 1.00 23.12 H new ATOM 174 N LEU A 12 11.259 -2.200 -9.419 1.00 3.34 N ATOM 175 CA LEU A 12 11.266 -3.644 -9.701 1.00 44.21 C ATOM 176 C LEU A 12 12.026 -3.956 -11.000 1.00 52.42 C ATOM 177 O LEU A 12 12.705 -4.980 -11.102 1.00 42.55 O ATOM 178 CB LEU A 12 9.827 -4.196 -9.775 1.00 60.44 C ATOM 179 CG LEU A 12 9.185 -4.574 -8.422 1.00 31.34 C ATOM 180 CD1 LEU A 12 9.951 -5.718 -7.761 1.00 0.01 C ATOM 181 CD2 LEU A 12 9.108 -3.369 -7.486 1.00 50.13 C ATOM 0 H LEU A 12 10.327 -1.791 -9.346 1.00 3.34 H new ATOM 0 HA LEU A 12 11.785 -4.137 -8.879 1.00 44.21 H new ATOM 0 HB2 LEU A 12 9.196 -3.451 -10.260 1.00 60.44 H new ATOM 0 HB3 LEU A 12 9.828 -5.078 -10.415 1.00 60.44 H new ATOM 0 HG LEU A 12 8.167 -4.908 -8.621 1.00 31.34 H new ATOM 0 HD11 LEU A 12 9.482 -5.968 -6.809 1.00 0.01 H new ATOM 0 HD12 LEU A 12 9.936 -6.591 -8.414 1.00 0.01 H new ATOM 0 HD13 LEU A 12 10.983 -5.413 -7.588 1.00 0.01 H new ATOM 0 HD21 LEU A 12 8.651 -3.669 -6.543 1.00 50.13 H new ATOM 0 HD22 LEU A 12 10.112 -2.989 -7.298 1.00 50.13 H new ATOM 0 HD23 LEU A 12 8.505 -2.587 -7.948 1.00 50.13 H new ATOM 193 N ALA A 13 11.912 -3.073 -11.990 1.00 72.41 N ATOM 194 CA ALA A 13 12.685 -3.202 -13.226 1.00 30.22 C ATOM 195 C ALA A 13 14.192 -3.180 -12.928 1.00 42.43 C ATOM 196 O ALA A 13 14.951 -4.017 -13.426 1.00 52.14 O ATOM 197 CB ALA A 13 12.310 -2.096 -14.207 1.00 40.30 C ATOM 0 H ALA A 13 11.294 -2.262 -11.962 1.00 72.41 H new ATOM 0 HA ALA A 13 12.445 -4.161 -13.684 1.00 30.22 H new ATOM 0 HB1 ALA A 13 12.894 -2.207 -15.121 1.00 40.30 H new ATOM 0 HB2 ALA A 13 11.248 -2.165 -14.444 1.00 40.30 H new ATOM 0 HB3 ALA A 13 12.519 -1.125 -13.758 1.00 40.30 H new ATOM 203 N GLN A 14 14.614 -2.232 -12.090 1.00 5.02 N ATOM 204 CA GLN A 14 16.009 -2.152 -11.644 1.00 12.10 C ATOM 205 C GLN A 14 16.420 -3.435 -10.899 1.00 1.10 C ATOM 206 O GLN A 14 17.533 -3.940 -11.065 1.00 15.34 O ATOM 207 CB GLN A 14 16.208 -0.937 -10.726 1.00 10.35 C ATOM 208 CG GLN A 14 15.795 0.393 -11.348 1.00 52.32 C ATOM 209 CD GLN A 14 15.995 1.559 -10.397 1.00 60.32 C ATOM 210 OE1 GLN A 14 15.116 1.902 -9.617 1.00 53.33 O ATOM 211 NE2 GLN A 14 17.155 2.181 -10.456 1.00 3.34 N ATOM 0 H GLN A 14 14.009 -1.506 -11.705 1.00 5.02 H new ATOM 0 HA GLN A 14 16.639 -2.042 -12.527 1.00 12.10 H new ATOM 0 HB2 GLN A 14 15.636 -1.090 -9.811 1.00 10.35 H new ATOM 0 HB3 GLN A 14 17.258 -0.881 -10.440 1.00 10.35 H new ATOM 0 HG2 GLN A 14 16.375 0.563 -12.255 1.00 52.32 H new ATOM 0 HG3 GLN A 14 14.747 0.344 -11.644 1.00 52.32 H new ATOM 0 HE21 GLN A 14 17.867 1.871 -11.117 1.00 3.34 H new ATOM 0 HE22 GLN A 14 17.341 2.973 -9.841 1.00 3.34 H new ATOM 220 N GLU A 15 15.509 -3.962 -10.080 1.00 55.43 N ATOM 221 CA GLU A 15 15.754 -5.211 -9.351 1.00 21.11 C ATOM 222 C GLU A 15 15.958 -6.390 -10.316 1.00 13.43 C ATOM 223 O GLU A 15 16.768 -7.283 -10.057 1.00 23.13 O ATOM 224 CB GLU A 15 14.600 -5.509 -8.384 1.00 51.30 C ATOM 225 CG GLU A 15 14.321 -4.387 -7.384 1.00 70.04 C ATOM 226 CD GLU A 15 15.561 -3.938 -6.623 1.00 44.21 C ATOM 227 OE1 GLU A 15 16.068 -4.716 -5.787 1.00 2.32 O ATOM 228 OE2 GLU A 15 16.027 -2.800 -6.842 1.00 24.34 O ATOM 0 H GLU A 15 14.595 -3.545 -9.904 1.00 55.43 H new ATOM 0 HA GLU A 15 16.670 -5.083 -8.774 1.00 21.11 H new ATOM 0 HB2 GLU A 15 13.696 -5.700 -8.962 1.00 51.30 H new ATOM 0 HB3 GLU A 15 14.826 -6.423 -7.835 1.00 51.30 H new ATOM 0 HG2 GLU A 15 13.899 -3.533 -7.914 1.00 70.04 H new ATOM 0 HG3 GLU A 15 13.568 -4.723 -6.672 1.00 70.04 H new ATOM 235 N HIS A 16 15.230 -6.387 -11.435 1.00 51.33 N ATOM 236 CA HIS A 16 15.440 -7.395 -12.480 1.00 45.35 C ATOM 237 C HIS A 16 16.860 -7.283 -13.056 1.00 12.34 C ATOM 238 O HIS A 16 17.519 -8.292 -13.299 1.00 70.32 O ATOM 239 CB HIS A 16 14.396 -7.268 -13.600 1.00 61.25 C ATOM 240 CG HIS A 16 13.008 -7.663 -13.188 1.00 74.22 C ATOM 241 ND1 HIS A 16 11.866 -6.940 -13.106 1.00 33.03 N flip ATOM 242 CD2 HIS A 16 12.669 -8.944 -12.804 1.00 32.02 C flip ATOM 243 CE1 HIS A 16 10.878 -7.791 -12.682 1.00 34.41 C flip ATOM 244 NE2 HIS A 16 11.386 -8.991 -12.509 1.00 41.34 N flip ATOM 0 H HIS A 16 14.498 -5.707 -11.641 1.00 51.33 H new ATOM 0 HA HIS A 16 15.322 -8.378 -12.023 1.00 45.35 H new ATOM 0 HB2 HIS A 16 14.380 -6.237 -13.952 1.00 61.25 H new ATOM 0 HB3 HIS A 16 14.704 -7.888 -14.442 1.00 61.25 H new ATOM 0 HD2 HIS A 16 13.351 -9.780 -12.753 1.00 32.02 H new ATOM 0 HE1 HIS A 16 9.846 -7.519 -12.516 1.00 34.41 H new ATOM 0 HE2 HIS A 16 10.874 -9.817 -12.199 1.00 41.34 H new ATOM 253 N LEU A 17 17.332 -6.050 -13.254 1.00 52.11 N ATOM 254 CA LEU A 17 18.716 -5.807 -13.687 1.00 14.13 C ATOM 255 C LEU A 17 19.715 -6.379 -12.666 1.00 35.53 C ATOM 256 O LEU A 17 20.739 -6.958 -13.035 1.00 40.31 O ATOM 257 CB LEU A 17 18.957 -4.301 -13.879 1.00 11.10 C ATOM 258 CG LEU A 17 18.119 -3.637 -14.985 1.00 45.12 C ATOM 259 CD1 LEU A 17 18.345 -2.124 -15.007 1.00 42.32 C ATOM 260 CD2 LEU A 17 18.442 -4.257 -16.347 1.00 44.40 C ATOM 0 H LEU A 17 16.779 -5.203 -13.122 1.00 52.11 H new ATOM 0 HA LEU A 17 18.871 -6.313 -14.640 1.00 14.13 H new ATOM 0 HB2 LEU A 17 18.752 -3.794 -12.936 1.00 11.10 H new ATOM 0 HB3 LEU A 17 20.012 -4.144 -14.102 1.00 11.10 H new ATOM 0 HG LEU A 17 17.065 -3.815 -14.769 1.00 45.12 H new ATOM 0 HD11 LEU A 17 17.742 -1.677 -15.797 1.00 42.32 H new ATOM 0 HD12 LEU A 17 18.056 -1.699 -14.046 1.00 42.32 H new ATOM 0 HD13 LEU A 17 19.399 -1.916 -15.194 1.00 42.32 H new ATOM 0 HD21 LEU A 17 17.840 -3.776 -17.118 1.00 44.40 H new ATOM 0 HD22 LEU A 17 19.499 -4.114 -16.570 1.00 44.40 H new ATOM 0 HD23 LEU A 17 18.217 -5.323 -16.324 1.00 44.40 H new ATOM 272 N LYS A 18 19.401 -6.216 -11.381 1.00 34.20 N ATOM 273 CA LYS A 18 20.202 -6.800 -10.294 1.00 74.33 C ATOM 274 C LYS A 18 20.181 -8.340 -10.343 1.00 33.32 C ATOM 275 O LYS A 18 21.126 -9.000 -9.917 1.00 75.12 O ATOM 276 CB LYS A 18 19.679 -6.309 -8.937 1.00 5.31 C ATOM 277 CG LYS A 18 19.843 -4.805 -8.723 1.00 43.54 C ATOM 278 CD LYS A 18 19.106 -4.320 -7.477 1.00 54.41 C ATOM 279 CE LYS A 18 19.554 -5.055 -6.218 1.00 61.14 C ATOM 280 NZ LYS A 18 18.786 -4.618 -5.022 1.00 15.43 N ATOM 0 H LYS A 18 18.593 -5.682 -11.061 1.00 34.20 H new ATOM 0 HA LYS A 18 21.234 -6.475 -10.424 1.00 74.33 H new ATOM 0 HB2 LYS A 18 18.623 -6.566 -8.850 1.00 5.31 H new ATOM 0 HB3 LYS A 18 20.203 -6.839 -8.142 1.00 5.31 H new ATOM 0 HG2 LYS A 18 20.903 -4.565 -8.634 1.00 43.54 H new ATOM 0 HG3 LYS A 18 19.468 -4.272 -9.596 1.00 43.54 H new ATOM 0 HD2 LYS A 18 19.275 -3.251 -7.351 1.00 54.41 H new ATOM 0 HD3 LYS A 18 18.034 -4.459 -7.614 1.00 54.41 H new ATOM 0 HE2 LYS A 18 19.428 -6.128 -6.359 1.00 61.14 H new ATOM 0 HE3 LYS A 18 20.617 -4.878 -6.052 1.00 61.14 H new ATOM 0 HZ1 LYS A 18 18.943 -5.290 -4.244 1.00 15.43 H new ATOM 0 HZ2 LYS A 18 19.105 -3.672 -4.731 1.00 15.43 H new ATOM 0 HZ3 LYS A 18 17.772 -4.586 -5.253 1.00 15.43 H new ATOM 294 N HIS A 19 19.090 -8.903 -10.865 1.00 71.40 N ATOM 295 CA HIS A 19 18.974 -10.358 -11.066 1.00 20.20 C ATOM 296 C HIS A 19 19.499 -10.782 -12.454 1.00 71.22 C ATOM 297 O HIS A 19 19.339 -11.936 -12.860 1.00 12.41 O ATOM 298 CB HIS A 19 17.508 -10.799 -10.911 1.00 52.43 C ATOM 299 CG HIS A 19 17.026 -10.839 -9.489 1.00 34.30 C ATOM 300 ND1 HIS A 19 16.488 -11.969 -8.915 1.00 52.14 N ATOM 301 CD2 HIS A 19 16.990 -9.885 -8.529 1.00 54.13 C ATOM 302 CE1 HIS A 19 16.144 -11.711 -7.672 1.00 12.21 C ATOM 303 NE2 HIS A 19 16.440 -10.455 -7.408 1.00 74.15 N ATOM 0 H HIS A 19 18.268 -8.375 -11.159 1.00 71.40 H new ATOM 0 HA HIS A 19 19.586 -10.846 -10.307 1.00 20.20 H new ATOM 0 HB2 HIS A 19 16.873 -10.119 -11.479 1.00 52.43 H new ATOM 0 HB3 HIS A 19 17.389 -11.789 -11.351 1.00 52.43 H new ATOM 0 HD2 HIS A 19 17.331 -8.865 -8.627 1.00 54.13 H new ATOM 0 HE1 HIS A 19 15.694 -12.411 -6.984 1.00 12.21 H new ATOM 0 HE2 HIS A 19 16.286 -9.983 -6.517 1.00 74.15 H new ATOM 312 N ASP A 20 20.119 -9.836 -13.174 1.00 61.10 N ATOM 313 CA ASP A 20 20.635 -10.074 -14.535 1.00 72.25 C ATOM 314 C ASP A 20 19.487 -10.280 -15.552 1.00 41.41 C ATOM 315 O ASP A 20 19.716 -10.540 -16.734 1.00 60.44 O ATOM 316 CB ASP A 20 21.608 -11.268 -14.530 1.00 11.54 C ATOM 317 CG ASP A 20 22.207 -11.571 -15.893 1.00 71.25 C ATOM 318 OD1 ASP A 20 23.082 -10.808 -16.353 1.00 35.55 O ATOM 319 OD2 ASP A 20 21.811 -12.586 -16.507 1.00 21.43 O ATOM 0 H ASP A 20 20.278 -8.888 -12.834 1.00 61.10 H new ATOM 0 HA ASP A 20 21.181 -9.187 -14.854 1.00 72.25 H new ATOM 0 HB2 ASP A 20 22.414 -11.066 -13.825 1.00 11.54 H new ATOM 0 HB3 ASP A 20 21.083 -12.152 -14.169 1.00 11.54 H new ATOM 324 N ASN A 21 18.249 -10.133 -15.092 1.00 3.32 N ATOM 325 CA ASN A 21 17.071 -10.248 -15.961 1.00 24.04 C ATOM 326 C ASN A 21 16.856 -8.961 -16.777 1.00 54.53 C ATOM 327 O ASN A 21 15.866 -8.243 -16.590 1.00 72.23 O ATOM 328 CB ASN A 21 15.830 -10.564 -15.116 1.00 3.50 C ATOM 329 CG ASN A 21 15.849 -11.974 -14.559 1.00 42.31 C ATOM 330 OD1 ASN A 21 16.183 -12.938 -15.391 1.00 23.23 O flip ATOM 331 ND2 ASN A 21 15.523 -12.202 -13.401 1.00 51.13 N flip ATOM 0 H ASN A 21 18.029 -9.933 -14.116 1.00 3.32 H new ATOM 0 HA ASN A 21 17.239 -11.063 -16.665 1.00 24.04 H new ATOM 0 HB2 ASN A 21 15.765 -9.853 -14.293 1.00 3.50 H new ATOM 0 HB3 ASN A 21 14.936 -10.430 -15.725 1.00 3.50 H new ATOM 0 HD21 ASN A 21 15.270 -11.432 -12.781 1.00 51.13 H new ATOM 0 HD22 ASN A 21 15.505 -13.162 -13.056 1.00 51.13 H new ATOM 338 N ALA A 22 17.795 -8.681 -17.681 1.00 71.43 N ATOM 339 CA ALA A 22 17.755 -7.468 -18.506 1.00 43.54 C ATOM 340 C ALA A 22 16.533 -7.447 -19.436 1.00 42.11 C ATOM 341 O ALA A 22 15.876 -6.419 -19.582 1.00 75.14 O ATOM 342 CB ALA A 22 19.041 -7.336 -19.315 1.00 42.31 C ATOM 0 H ALA A 22 18.599 -9.281 -17.863 1.00 71.43 H new ATOM 0 HA ALA A 22 17.667 -6.616 -17.832 1.00 43.54 H new ATOM 0 HB1 ALA A 22 18.998 -6.432 -19.922 1.00 42.31 H new ATOM 0 HB2 ALA A 22 19.893 -7.277 -18.637 1.00 42.31 H new ATOM 0 HB3 ALA A 22 19.153 -8.204 -19.964 1.00 42.31 H new ATOM 348 N SER A 23 16.227 -8.588 -20.049 1.00 44.42 N ATOM 349 CA SER A 23 15.080 -8.694 -20.966 1.00 23.41 C ATOM 350 C SER A 23 13.749 -8.499 -20.222 1.00 2.41 C ATOM 351 O SER A 23 12.770 -8.009 -20.789 1.00 1.13 O ATOM 352 CB SER A 23 15.086 -10.055 -21.678 1.00 24.20 C ATOM 353 OG SER A 23 16.308 -10.271 -22.372 1.00 64.24 O ATOM 0 H SER A 23 16.752 -9.454 -19.932 1.00 44.42 H new ATOM 0 HA SER A 23 15.176 -7.901 -21.708 1.00 23.41 H new ATOM 0 HB2 SER A 23 14.935 -10.850 -20.948 1.00 24.20 H new ATOM 0 HB3 SER A 23 14.253 -10.104 -22.380 1.00 24.20 H new ATOM 0 HG SER A 23 16.283 -11.145 -22.814 1.00 64.24 H new ATOM 359 N ARG A 24 13.720 -8.890 -18.947 1.00 75.14 N ATOM 360 CA ARG A 24 12.536 -8.704 -18.100 1.00 71.02 C ATOM 361 C ARG A 24 12.396 -7.238 -17.657 1.00 52.52 C ATOM 362 O ARG A 24 11.307 -6.663 -17.713 1.00 61.05 O ATOM 363 CB ARG A 24 12.605 -9.636 -16.880 1.00 71.04 C ATOM 364 CG ARG A 24 12.392 -11.110 -17.222 1.00 41.11 C ATOM 365 CD ARG A 24 11.010 -11.354 -17.825 1.00 4.23 C ATOM 366 NE ARG A 24 10.793 -12.759 -18.166 1.00 35.20 N ATOM 367 CZ ARG A 24 10.012 -13.170 -19.127 1.00 3.11 C ATOM 368 NH1 ARG A 24 9.425 -12.325 -19.913 1.00 62.44 N ATOM 369 NH2 ARG A 24 9.846 -14.436 -19.324 1.00 20.21 N ATOM 0 H ARG A 24 14.505 -9.339 -18.475 1.00 75.14 H new ATOM 0 HA ARG A 24 11.653 -8.959 -18.686 1.00 71.02 H new ATOM 0 HB2 ARG A 24 13.576 -9.520 -16.399 1.00 71.04 H new ATOM 0 HB3 ARG A 24 11.852 -9.328 -16.155 1.00 71.04 H new ATOM 0 HG2 ARG A 24 13.159 -11.435 -17.925 1.00 41.11 H new ATOM 0 HG3 ARG A 24 12.508 -11.713 -16.322 1.00 41.11 H new ATOM 0 HD2 ARG A 24 10.246 -11.032 -17.118 1.00 4.23 H new ATOM 0 HD3 ARG A 24 10.894 -10.743 -18.720 1.00 4.23 H new ATOM 0 HE ARG A 24 11.284 -13.464 -17.617 1.00 35.20 H new ATOM 0 HH11 ARG A 24 9.570 -11.324 -19.785 1.00 62.44 H new ATOM 0 HH12 ARG A 24 8.817 -12.661 -20.660 1.00 62.44 H new ATOM 0 HH21 ARG A 24 10.325 -15.112 -18.729 1.00 20.21 H new ATOM 0 HH22 ARG A 24 9.236 -14.760 -20.075 1.00 20.21 H new ATOM 383 N ALA A 25 13.505 -6.637 -17.229 1.00 3.20 N ATOM 384 CA ALA A 25 13.521 -5.214 -16.877 1.00 44.13 C ATOM 385 C ALA A 25 13.151 -4.348 -18.087 1.00 3.34 C ATOM 386 O ALA A 25 12.360 -3.410 -17.980 1.00 54.02 O ATOM 387 CB ALA A 25 14.894 -4.818 -16.352 1.00 24.32 C ATOM 0 H ALA A 25 14.402 -7.109 -17.117 1.00 3.20 H new ATOM 0 HA ALA A 25 12.779 -5.048 -16.096 1.00 44.13 H new ATOM 0 HB1 ALA A 25 14.893 -3.759 -16.094 1.00 24.32 H new ATOM 0 HB2 ALA A 25 15.128 -5.407 -15.466 1.00 24.32 H new ATOM 0 HB3 ALA A 25 15.645 -5.004 -17.120 1.00 24.32 H new ATOM 393 N LEU A 26 13.733 -4.688 -19.237 1.00 55.02 N ATOM 394 CA LEU A 26 13.461 -3.998 -20.499 1.00 70.55 C ATOM 395 C LEU A 26 11.954 -3.925 -20.777 1.00 3.41 C ATOM 396 O LEU A 26 11.425 -2.860 -21.081 1.00 64.21 O ATOM 397 CB LEU A 26 14.179 -4.727 -21.648 1.00 71.24 C ATOM 398 CG LEU A 26 14.114 -4.045 -23.027 1.00 54.44 C ATOM 399 CD1 LEU A 26 14.740 -2.656 -22.973 1.00 72.31 C ATOM 400 CD2 LEU A 26 14.809 -4.903 -24.084 1.00 5.04 C ATOM 0 H LEU A 26 14.406 -5.450 -19.320 1.00 55.02 H new ATOM 0 HA LEU A 26 13.836 -2.977 -20.424 1.00 70.55 H new ATOM 0 HB2 LEU A 26 15.227 -4.850 -21.375 1.00 71.24 H new ATOM 0 HB3 LEU A 26 13.754 -5.727 -21.739 1.00 71.24 H new ATOM 0 HG LEU A 26 13.065 -3.937 -23.304 1.00 54.44 H new ATOM 0 HD11 LEU A 26 14.683 -2.193 -23.958 1.00 72.31 H new ATOM 0 HD12 LEU A 26 14.201 -2.042 -22.251 1.00 72.31 H new ATOM 0 HD13 LEU A 26 15.784 -2.739 -22.671 1.00 72.31 H new ATOM 0 HD21 LEU A 26 14.753 -4.405 -25.052 1.00 5.04 H new ATOM 0 HD22 LEU A 26 15.854 -5.044 -23.809 1.00 5.04 H new ATOM 0 HD23 LEU A 26 14.316 -5.873 -24.146 1.00 5.04 H new ATOM 412 N ALA A 27 11.273 -5.062 -20.642 1.00 40.55 N ATOM 413 CA ALA A 27 9.821 -5.131 -20.846 1.00 15.52 C ATOM 414 C ALA A 27 9.071 -4.123 -19.959 1.00 71.25 C ATOM 415 O ALA A 27 8.179 -3.410 -20.426 1.00 3.02 O ATOM 416 CB ALA A 27 9.322 -6.546 -20.574 1.00 54.24 C ATOM 0 H ALA A 27 11.702 -5.953 -20.391 1.00 40.55 H new ATOM 0 HA ALA A 27 9.619 -4.869 -21.885 1.00 15.52 H new ATOM 0 HB1 ALA A 27 8.244 -6.587 -20.728 1.00 54.24 H new ATOM 0 HB2 ALA A 27 9.813 -7.242 -21.254 1.00 54.24 H new ATOM 0 HB3 ALA A 27 9.552 -6.822 -19.545 1.00 54.24 H new ATOM 422 N LEU A 28 9.441 -4.063 -18.678 1.00 34.11 N ATOM 423 CA LEU A 28 8.810 -3.128 -17.738 1.00 11.13 C ATOM 424 C LEU A 28 9.062 -1.666 -18.139 1.00 42.31 C ATOM 425 O LEU A 28 8.145 -0.842 -18.099 1.00 51.01 O ATOM 426 CB LEU A 28 9.307 -3.375 -16.306 1.00 15.41 C ATOM 427 CG LEU A 28 8.901 -4.726 -15.691 1.00 24.12 C ATOM 428 CD1 LEU A 28 9.389 -4.833 -14.248 1.00 23.40 C ATOM 429 CD2 LEU A 28 7.386 -4.920 -15.765 1.00 62.11 C ATOM 0 H LEU A 28 10.170 -4.646 -18.267 1.00 34.11 H new ATOM 0 HA LEU A 28 7.736 -3.308 -17.775 1.00 11.13 H new ATOM 0 HB2 LEU A 28 10.395 -3.304 -16.300 1.00 15.41 H new ATOM 0 HB3 LEU A 28 8.932 -2.576 -15.666 1.00 15.41 H new ATOM 0 HG LEU A 28 9.375 -5.519 -16.270 1.00 24.12 H new ATOM 0 HD11 LEU A 28 9.091 -5.796 -13.833 1.00 23.40 H new ATOM 0 HD12 LEU A 28 10.475 -4.749 -14.224 1.00 23.40 H new ATOM 0 HD13 LEU A 28 8.950 -4.031 -13.655 1.00 23.40 H new ATOM 0 HD21 LEU A 28 7.120 -5.881 -15.325 1.00 62.11 H new ATOM 0 HD22 LEU A 28 6.889 -4.120 -15.216 1.00 62.11 H new ATOM 0 HD23 LEU A 28 7.067 -4.897 -16.807 1.00 62.11 H new ATOM 441 N PHE A 29 10.302 -1.348 -18.523 1.00 2.12 N ATOM 442 CA PHE A 29 10.645 0.007 -18.979 1.00 54.50 C ATOM 443 C PHE A 29 9.889 0.380 -20.267 1.00 23.31 C ATOM 444 O PHE A 29 9.315 1.464 -20.365 1.00 12.32 O ATOM 445 CB PHE A 29 12.157 0.143 -19.209 1.00 3.30 C ATOM 446 CG PHE A 29 12.984 0.177 -17.945 1.00 72.02 C ATOM 447 CD1 PHE A 29 12.807 1.192 -17.014 1.00 65.44 C ATOM 448 CD2 PHE A 29 13.944 -0.794 -17.694 1.00 15.22 C ATOM 449 CE1 PHE A 29 13.566 1.235 -15.860 1.00 63.44 C ATOM 450 CE2 PHE A 29 14.707 -0.754 -16.542 1.00 0.32 C ATOM 451 CZ PHE A 29 14.518 0.261 -15.625 1.00 20.35 C ATOM 0 H PHE A 29 11.083 -2.005 -18.528 1.00 2.12 H new ATOM 0 HA PHE A 29 10.342 0.696 -18.191 1.00 54.50 H new ATOM 0 HB2 PHE A 29 12.494 -0.690 -19.826 1.00 3.30 H new ATOM 0 HB3 PHE A 29 12.345 1.055 -19.775 1.00 3.30 H new ATOM 0 HD1 PHE A 29 12.067 1.958 -17.194 1.00 65.44 H new ATOM 0 HD2 PHE A 29 14.097 -1.590 -18.407 1.00 15.22 H new ATOM 0 HE1 PHE A 29 13.416 2.028 -15.143 1.00 63.44 H new ATOM 0 HE2 PHE A 29 15.450 -1.516 -16.359 1.00 0.32 H new ATOM 0 HZ PHE A 29 15.114 0.294 -14.725 1.00 20.35 H new ATOM 461 N GLU A 30 9.894 -0.518 -21.252 1.00 61.32 N ATOM 462 CA GLU A 30 9.187 -0.280 -22.519 1.00 61.00 C ATOM 463 C GLU A 30 7.690 -0.026 -22.279 1.00 75.50 C ATOM 464 O GLU A 30 7.108 0.905 -22.842 1.00 42.32 O ATOM 465 CB GLU A 30 9.374 -1.472 -23.470 1.00 43.31 C ATOM 466 CG GLU A 30 10.827 -1.727 -23.867 1.00 34.12 C ATOM 467 CD GLU A 30 10.976 -2.889 -24.838 1.00 15.30 C ATOM 468 OE1 GLU A 30 10.433 -3.978 -24.559 1.00 51.41 O ATOM 469 OE2 GLU A 30 11.620 -2.715 -25.895 1.00 32.00 O ATOM 0 H GLU A 30 10.377 -1.415 -21.202 1.00 61.32 H new ATOM 0 HA GLU A 30 9.615 0.611 -22.979 1.00 61.00 H new ATOM 0 HB2 GLU A 30 8.975 -2.368 -22.996 1.00 43.31 H new ATOM 0 HB3 GLU A 30 8.786 -1.300 -24.372 1.00 43.31 H new ATOM 0 HG2 GLU A 30 11.239 -0.825 -24.320 1.00 34.12 H new ATOM 0 HG3 GLU A 30 11.414 -1.930 -22.971 1.00 34.12 H new ATOM 476 N GLU A 31 7.073 -0.851 -21.432 1.00 21.21 N ATOM 477 CA GLU A 31 5.661 -0.670 -21.071 1.00 22.43 C ATOM 478 C GLU A 31 5.461 0.645 -20.291 1.00 74.10 C ATOM 479 O GLU A 31 4.440 1.316 -20.430 1.00 3.30 O ATOM 480 CB GLU A 31 5.158 -1.865 -20.242 1.00 62.12 C ATOM 481 CG GLU A 31 3.637 -1.934 -20.119 1.00 13.33 C ATOM 482 CD GLU A 31 3.160 -3.089 -19.246 1.00 72.44 C ATOM 483 OE1 GLU A 31 3.374 -4.259 -19.626 1.00 72.31 O ATOM 484 OE2 GLU A 31 2.568 -2.828 -18.172 1.00 73.23 O ATOM 0 H GLU A 31 7.524 -1.648 -20.983 1.00 21.21 H new ATOM 0 HA GLU A 31 5.079 -0.616 -21.991 1.00 22.43 H new ATOM 0 HB2 GLU A 31 5.519 -2.788 -20.696 1.00 62.12 H new ATOM 0 HB3 GLU A 31 5.592 -1.811 -19.243 1.00 62.12 H new ATOM 0 HG2 GLU A 31 3.269 -0.996 -19.703 1.00 13.33 H new ATOM 0 HG3 GLU A 31 3.202 -2.034 -21.113 1.00 13.33 H new ATOM 491 N LEU A 32 6.454 1.010 -19.477 1.00 11.54 N ATOM 492 CA LEU A 32 6.431 2.282 -18.736 1.00 41.21 C ATOM 493 C LEU A 32 6.337 3.491 -19.680 1.00 74.34 C ATOM 494 O LEU A 32 5.686 4.484 -19.364 1.00 13.51 O ATOM 495 CB LEU A 32 7.683 2.412 -17.845 1.00 4.00 C ATOM 496 CG LEU A 32 7.469 2.117 -16.353 1.00 0.00 C ATOM 497 CD1 LEU A 32 8.805 2.072 -15.615 1.00 34.24 C ATOM 498 CD2 LEU A 32 6.544 3.164 -15.732 1.00 64.51 C ATOM 0 H LEU A 32 7.287 0.445 -19.311 1.00 11.54 H new ATOM 0 HA LEU A 32 5.540 2.274 -18.108 1.00 41.21 H new ATOM 0 HB2 LEU A 32 8.449 1.736 -18.225 1.00 4.00 H new ATOM 0 HB3 LEU A 32 8.074 3.425 -17.944 1.00 4.00 H new ATOM 0 HG LEU A 32 6.997 1.139 -16.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.631 1.862 -14.560 1.00 34.24 H new ATOM 0 HD12 LEU A 32 9.431 1.289 -16.043 1.00 34.24 H new ATOM 0 HD13 LEU A 32 9.309 3.034 -15.715 1.00 34.24 H new ATOM 0 HD21 LEU A 32 6.401 2.942 -14.674 1.00 64.51 H new ATOM 0 HD22 LEU A 32 6.990 4.153 -15.838 1.00 64.51 H new ATOM 0 HD23 LEU A 32 5.580 3.145 -16.240 1.00 64.51 H new ATOM 510 N VAL A 33 6.996 3.403 -20.833 1.00 72.34 N ATOM 511 CA VAL A 33 6.972 4.488 -21.820 1.00 40.13 C ATOM 512 C VAL A 33 5.545 4.770 -22.323 1.00 64.41 C ATOM 513 O VAL A 33 5.153 5.925 -22.490 1.00 65.35 O ATOM 514 CB VAL A 33 7.890 4.169 -23.030 1.00 42.32 C ATOM 515 CG1 VAL A 33 7.829 5.282 -24.078 1.00 5.03 C ATOM 516 CG2 VAL A 33 9.326 3.945 -22.563 1.00 73.13 C ATOM 0 H VAL A 33 7.553 2.595 -21.110 1.00 72.34 H new ATOM 0 HA VAL A 33 7.345 5.378 -21.313 1.00 40.13 H new ATOM 0 HB VAL A 33 7.529 3.252 -23.497 1.00 42.32 H new ATOM 0 HG11 VAL A 33 8.482 5.031 -24.914 1.00 5.03 H new ATOM 0 HG12 VAL A 33 6.805 5.388 -24.437 1.00 5.03 H new ATOM 0 HG13 VAL A 33 8.156 6.221 -23.631 1.00 5.03 H new ATOM 0 HG21 VAL A 33 9.958 3.722 -23.423 1.00 73.13 H new ATOM 0 HG22 VAL A 33 9.692 4.844 -22.067 1.00 73.13 H new ATOM 0 HG23 VAL A 33 9.355 3.108 -21.865 1.00 73.13 H new ATOM 526 N GLU A 34 4.771 3.711 -22.564 1.00 30.43 N ATOM 527 CA GLU A 34 3.395 3.863 -23.054 1.00 63.10 C ATOM 528 C GLU A 34 2.402 4.161 -21.913 1.00 22.35 C ATOM 529 O GLU A 34 1.411 4.864 -22.116 1.00 64.24 O ATOM 530 CB GLU A 34 2.956 2.617 -23.839 1.00 73.22 C ATOM 531 CG GLU A 34 3.023 1.314 -23.052 1.00 30.22 C ATOM 532 CD GLU A 34 2.556 0.115 -23.862 1.00 53.21 C ATOM 533 OE1 GLU A 34 3.320 -0.354 -24.734 1.00 22.11 O ATOM 534 OE2 GLU A 34 1.425 -0.360 -23.635 1.00 43.00 O ATOM 0 H GLU A 34 5.068 2.744 -22.430 1.00 30.43 H new ATOM 0 HA GLU A 34 3.386 4.722 -23.725 1.00 63.10 H new ATOM 0 HB2 GLU A 34 1.933 2.764 -24.186 1.00 73.22 H new ATOM 0 HB3 GLU A 34 3.583 2.523 -24.726 1.00 73.22 H new ATOM 0 HG2 GLU A 34 4.048 1.147 -22.721 1.00 30.22 H new ATOM 0 HG3 GLU A 34 2.409 1.403 -22.156 1.00 30.22 H new ATOM 541 N THR A 35 2.661 3.628 -20.718 1.00 25.13 N ATOM 542 CA THR A 35 1.778 3.867 -19.562 1.00 13.11 C ATOM 543 C THR A 35 2.016 5.251 -18.946 1.00 2.21 C ATOM 544 O THR A 35 1.087 6.052 -18.806 1.00 65.41 O ATOM 545 CB THR A 35 1.965 2.803 -18.449 1.00 42.32 C ATOM 546 OG1 THR A 35 3.292 2.879 -17.906 1.00 25.23 O ATOM 547 CG2 THR A 35 1.705 1.396 -18.981 1.00 65.42 C ATOM 0 H THR A 35 3.465 3.033 -20.520 1.00 25.13 H new ATOM 0 HA THR A 35 0.762 3.804 -19.951 1.00 13.11 H new ATOM 0 HB THR A 35 1.240 3.012 -17.662 1.00 42.32 H new ATOM 0 HG1 THR A 35 3.284 3.437 -17.100 1.00 25.23 H new ATOM 0 HG21 THR A 35 1.844 0.672 -18.178 1.00 65.42 H new ATOM 0 HG22 THR A 35 0.683 1.332 -19.355 1.00 65.42 H new ATOM 0 HG23 THR A 35 2.402 1.178 -19.790 1.00 65.42 H new ATOM 555 N ASP A 36 3.264 5.526 -18.575 1.00 75.12 N ATOM 556 CA ASP A 36 3.633 6.794 -17.937 1.00 42.45 C ATOM 557 C ASP A 36 4.782 7.501 -18.690 1.00 33.22 C ATOM 558 O ASP A 36 5.922 7.522 -18.220 1.00 4.20 O ATOM 559 CB ASP A 36 4.034 6.548 -16.474 1.00 51.52 C ATOM 560 CG ASP A 36 2.913 5.925 -15.660 1.00 61.41 C ATOM 561 OD1 ASP A 36 2.042 6.678 -15.171 1.00 50.11 O ATOM 562 OD2 ASP A 36 2.889 4.684 -15.505 1.00 5.13 O ATOM 0 H ASP A 36 4.045 4.884 -18.705 1.00 75.12 H new ATOM 0 HA ASP A 36 2.763 7.449 -17.971 1.00 42.45 H new ATOM 0 HB2 ASP A 36 4.906 5.895 -16.445 1.00 51.52 H new ATOM 0 HB3 ASP A 36 4.328 7.493 -16.018 1.00 51.52 H new ATOM 567 N PRO A 37 4.492 8.110 -19.862 1.00 23.12 N ATOM 568 CA PRO A 37 5.512 8.817 -20.668 1.00 41.24 C ATOM 569 C PRO A 37 5.966 10.137 -20.022 1.00 42.12 C ATOM 570 O PRO A 37 6.926 10.771 -20.465 1.00 33.10 O ATOM 571 CB PRO A 37 4.782 9.086 -21.992 1.00 62.51 C ATOM 572 CG PRO A 37 3.340 9.151 -21.618 1.00 53.51 C ATOM 573 CD PRO A 37 3.158 8.161 -20.497 1.00 3.03 C ATOM 0 HA PRO A 37 6.426 8.233 -20.776 1.00 41.24 H new ATOM 0 HB2 PRO A 37 5.116 10.018 -22.447 1.00 62.51 H new ATOM 0 HB3 PRO A 37 4.969 8.293 -22.716 1.00 62.51 H new ATOM 0 HG2 PRO A 37 3.064 10.156 -21.300 1.00 53.51 H new ATOM 0 HG3 PRO A 37 2.705 8.900 -22.467 1.00 53.51 H new ATOM 0 HD2 PRO A 37 2.391 8.487 -19.794 1.00 3.03 H new ATOM 0 HD3 PRO A 37 2.853 7.183 -20.870 1.00 3.03 H new ATOM 581 N ASP A 38 5.263 10.536 -18.970 1.00 4.15 N ATOM 582 CA ASP A 38 5.567 11.768 -18.242 1.00 22.34 C ATOM 583 C ASP A 38 6.762 11.569 -17.294 1.00 52.01 C ATOM 584 O ASP A 38 7.386 12.535 -16.851 1.00 21.54 O ATOM 585 CB ASP A 38 4.332 12.206 -17.448 1.00 4.13 C ATOM 586 CG ASP A 38 3.051 11.984 -18.231 1.00 41.01 C ATOM 587 OD1 ASP A 38 2.734 12.807 -19.113 1.00 3.45 O ATOM 588 OD2 ASP A 38 2.370 10.966 -17.984 1.00 23.23 O ATOM 0 H ASP A 38 4.468 10.019 -18.596 1.00 4.15 H new ATOM 0 HA ASP A 38 5.835 12.542 -18.961 1.00 22.34 H new ATOM 0 HB2 ASP A 38 4.286 11.651 -16.511 1.00 4.13 H new ATOM 0 HB3 ASP A 38 4.422 13.261 -17.189 1.00 4.13 H new ATOM 593 N TYR A 39 7.074 10.307 -16.991 1.00 74.13 N ATOM 594 CA TYR A 39 8.155 9.972 -16.060 1.00 75.43 C ATOM 595 C TYR A 39 9.512 9.897 -16.783 1.00 74.31 C ATOM 596 O TYR A 39 9.835 8.898 -17.432 1.00 33.13 O ATOM 597 CB TYR A 39 7.839 8.645 -15.352 1.00 50.25 C ATOM 598 CG TYR A 39 8.868 8.223 -14.315 1.00 72.32 C ATOM 599 CD1 TYR A 39 9.429 9.148 -13.439 1.00 23.45 C ATOM 600 CD2 TYR A 39 9.274 6.896 -14.213 1.00 34.15 C ATOM 601 CE1 TYR A 39 10.363 8.762 -12.496 1.00 55.34 C ATOM 602 CE2 TYR A 39 10.204 6.505 -13.272 1.00 13.22 C ATOM 603 CZ TYR A 39 10.747 7.440 -12.417 1.00 34.11 C ATOM 604 OH TYR A 39 11.680 7.051 -11.482 1.00 23.14 O ATOM 0 H TYR A 39 6.591 9.497 -17.379 1.00 74.13 H new ATOM 0 HA TYR A 39 8.227 10.763 -15.314 1.00 75.43 H new ATOM 0 HB2 TYR A 39 6.866 8.729 -14.867 1.00 50.25 H new ATOM 0 HB3 TYR A 39 7.754 7.859 -16.102 1.00 50.25 H new ATOM 0 HD1 TYR A 39 9.130 10.184 -13.497 1.00 23.45 H new ATOM 0 HD2 TYR A 39 8.854 6.160 -14.882 1.00 34.15 H new ATOM 0 HE1 TYR A 39 10.790 9.492 -11.824 1.00 55.34 H new ATOM 0 HE2 TYR A 39 10.506 5.470 -13.205 1.00 13.22 H new ATOM 0 HH TYR A 39 11.862 6.093 -11.580 1.00 23.14 H new ATOM 614 N VAL A 40 10.304 10.963 -16.653 1.00 62.23 N ATOM 615 CA VAL A 40 11.600 11.076 -17.341 1.00 73.44 C ATOM 616 C VAL A 40 12.594 9.988 -16.887 1.00 73.11 C ATOM 617 O VAL A 40 13.393 9.490 -17.687 1.00 61.22 O ATOM 618 CB VAL A 40 12.229 12.477 -17.112 1.00 21.25 C ATOM 619 CG1 VAL A 40 13.555 12.621 -17.863 1.00 34.35 C ATOM 620 CG2 VAL A 40 11.256 13.582 -17.524 1.00 31.41 C ATOM 0 H VAL A 40 10.071 11.769 -16.073 1.00 62.23 H new ATOM 0 HA VAL A 40 11.402 10.936 -18.404 1.00 73.44 H new ATOM 0 HB VAL A 40 12.435 12.577 -16.046 1.00 21.25 H new ATOM 0 HG11 VAL A 40 13.970 13.613 -17.682 1.00 34.35 H new ATOM 0 HG12 VAL A 40 14.256 11.865 -17.511 1.00 34.35 H new ATOM 0 HG13 VAL A 40 13.384 12.488 -18.931 1.00 34.35 H new ATOM 0 HG21 VAL A 40 11.718 14.555 -17.355 1.00 31.41 H new ATOM 0 HG22 VAL A 40 11.011 13.475 -18.581 1.00 31.41 H new ATOM 0 HG23 VAL A 40 10.345 13.505 -16.930 1.00 31.41 H new ATOM 630 N GLY A 41 12.526 9.615 -15.603 1.00 54.12 N ATOM 631 CA GLY A 41 13.424 8.598 -15.050 1.00 44.23 C ATOM 632 C GLY A 41 13.458 7.302 -15.864 1.00 3.33 C ATOM 633 O GLY A 41 14.508 6.657 -15.980 1.00 65.13 O ATOM 0 H GLY A 41 11.862 10.001 -14.932 1.00 54.12 H new ATOM 0 HA2 GLY A 41 14.432 9.008 -14.993 1.00 44.23 H new ATOM 0 HA3 GLY A 41 13.115 8.369 -14.030 1.00 44.23 H new ATOM 637 N THR A 42 12.310 6.925 -16.433 1.00 2.41 N ATOM 638 CA THR A 42 12.213 5.719 -17.270 1.00 54.02 C ATOM 639 C THR A 42 13.141 5.805 -18.488 1.00 22.14 C ATOM 640 O THR A 42 13.949 4.910 -18.728 1.00 21.12 O ATOM 641 CB THR A 42 10.762 5.481 -17.771 1.00 35.32 C ATOM 642 OG1 THR A 42 9.871 5.311 -16.661 1.00 61.25 O ATOM 643 CG2 THR A 42 10.680 4.254 -18.675 1.00 33.34 C ATOM 0 H THR A 42 11.433 7.435 -16.331 1.00 2.41 H new ATOM 0 HA THR A 42 12.517 4.885 -16.638 1.00 54.02 H new ATOM 0 HB THR A 42 10.467 6.358 -18.346 1.00 35.32 H new ATOM 0 HG1 THR A 42 10.130 5.919 -15.937 1.00 61.25 H new ATOM 0 HG21 THR A 42 9.651 4.116 -19.008 1.00 33.34 H new ATOM 0 HG22 THR A 42 11.326 4.396 -19.541 1.00 33.34 H new ATOM 0 HG23 THR A 42 11.004 3.372 -18.122 1.00 33.34 H new ATOM 651 N TYR A 43 13.036 6.905 -19.237 1.00 21.35 N ATOM 652 CA TYR A 43 13.777 7.074 -20.497 1.00 74.44 C ATOM 653 C TYR A 43 15.296 6.973 -20.303 1.00 42.21 C ATOM 654 O TYR A 43 15.979 6.279 -21.059 1.00 30.43 O ATOM 655 CB TYR A 43 13.423 8.418 -21.144 1.00 53.10 C ATOM 656 CG TYR A 43 11.964 8.528 -21.542 1.00 40.14 C ATOM 657 CD1 TYR A 43 11.504 7.947 -22.719 1.00 41.44 C ATOM 658 CD2 TYR A 43 11.047 9.202 -20.742 1.00 42.22 C ATOM 659 CE1 TYR A 43 10.178 8.037 -23.087 1.00 41.24 C ATOM 660 CE2 TYR A 43 9.718 9.295 -21.106 1.00 32.03 C ATOM 661 CZ TYR A 43 9.290 8.710 -22.279 1.00 3.42 C ATOM 662 OH TYR A 43 7.969 8.802 -22.651 1.00 43.02 O ATOM 0 H TYR A 43 12.442 7.698 -18.994 1.00 21.35 H new ATOM 0 HA TYR A 43 13.478 6.258 -21.154 1.00 74.44 H new ATOM 0 HB2 TYR A 43 13.664 9.222 -20.449 1.00 53.10 H new ATOM 0 HB3 TYR A 43 14.045 8.563 -22.027 1.00 53.10 H new ATOM 0 HD1 TYR A 43 12.197 7.417 -23.355 1.00 41.44 H new ATOM 0 HD2 TYR A 43 11.380 9.660 -19.822 1.00 42.22 H new ATOM 0 HE1 TYR A 43 9.838 7.581 -24.005 1.00 41.24 H new ATOM 0 HE2 TYR A 43 9.018 9.823 -20.475 1.00 32.03 H new ATOM 0 HH TYR A 43 7.893 9.363 -23.451 1.00 43.02 H new ATOM 672 N TYR A 44 15.817 7.662 -19.288 1.00 52.33 N ATOM 673 CA TYR A 44 17.261 7.675 -19.027 1.00 54.44 C ATOM 674 C TYR A 44 17.792 6.261 -18.739 1.00 34.41 C ATOM 675 O TYR A 44 18.694 5.774 -19.420 1.00 34.00 O ATOM 676 CB TYR A 44 17.589 8.616 -17.854 1.00 51.54 C ATOM 677 CG TYR A 44 19.081 8.800 -17.622 1.00 74.20 C ATOM 678 CD1 TYR A 44 19.790 9.802 -18.279 1.00 42.20 C ATOM 679 CD2 TYR A 44 19.780 7.967 -16.754 1.00 22.11 C ATOM 680 CE1 TYR A 44 21.148 9.966 -18.078 1.00 24.35 C ATOM 681 CE2 TYR A 44 21.137 8.124 -16.551 1.00 60.01 C ATOM 682 CZ TYR A 44 21.816 9.124 -17.212 1.00 32.25 C ATOM 683 OH TYR A 44 23.171 9.276 -17.011 1.00 54.11 O ATOM 0 H TYR A 44 15.265 8.217 -18.634 1.00 52.33 H new ATOM 0 HA TYR A 44 17.756 8.044 -19.925 1.00 54.44 H new ATOM 0 HB2 TYR A 44 17.136 9.589 -18.042 1.00 51.54 H new ATOM 0 HB3 TYR A 44 17.134 8.223 -16.945 1.00 51.54 H new ATOM 0 HD1 TYR A 44 19.270 10.462 -18.957 1.00 42.20 H new ATOM 0 HD2 TYR A 44 19.252 7.184 -16.230 1.00 22.11 H new ATOM 0 HE1 TYR A 44 21.683 10.748 -18.596 1.00 24.35 H new ATOM 0 HE2 TYR A 44 21.664 7.465 -15.877 1.00 60.01 H new ATOM 0 HH TYR A 44 23.484 8.603 -16.371 1.00 54.11 H new ATOM 693 N HIS A 45 17.209 5.595 -17.740 1.00 22.12 N ATOM 694 CA HIS A 45 17.681 4.265 -17.323 1.00 2.35 C ATOM 695 C HIS A 45 17.381 3.192 -18.388 1.00 51.21 C ATOM 696 O HIS A 45 18.118 2.212 -18.521 1.00 40.22 O ATOM 697 CB HIS A 45 17.065 3.883 -15.970 1.00 65.34 C ATOM 698 CG HIS A 45 17.503 4.783 -14.846 1.00 22.51 C ATOM 699 ND1 HIS A 45 18.170 4.331 -13.724 1.00 44.14 N ATOM 700 CD2 HIS A 45 17.367 6.121 -14.678 1.00 12.12 C ATOM 701 CE1 HIS A 45 18.423 5.348 -12.923 1.00 62.43 C ATOM 702 NE2 HIS A 45 17.948 6.443 -13.477 1.00 45.30 N ATOM 0 H HIS A 45 16.415 5.948 -17.206 1.00 22.12 H new ATOM 0 HA HIS A 45 18.764 4.314 -17.213 1.00 2.35 H new ATOM 0 HB2 HIS A 45 15.978 3.915 -16.050 1.00 65.34 H new ATOM 0 HB3 HIS A 45 17.337 2.855 -15.731 1.00 65.34 H new ATOM 0 HD2 HIS A 45 16.890 6.807 -15.362 1.00 12.12 H new ATOM 0 HE1 HIS A 45 18.934 5.292 -11.973 1.00 62.43 H new ATOM 0 HE2 HIS A 45 18.003 7.380 -13.078 1.00 45.30 H new ATOM 711 N LEU A 46 16.300 3.386 -19.145 1.00 14.22 N ATOM 712 CA LEU A 46 15.969 2.499 -20.269 1.00 33.32 C ATOM 713 C LEU A 46 17.026 2.597 -21.382 1.00 63.23 C ATOM 714 O LEU A 46 17.484 1.579 -21.909 1.00 14.01 O ATOM 715 CB LEU A 46 14.576 2.846 -20.826 1.00 52.43 C ATOM 716 CG LEU A 46 14.169 2.116 -22.121 1.00 54.41 C ATOM 717 CD1 LEU A 46 14.254 0.603 -21.945 1.00 31.41 C ATOM 718 CD2 LEU A 46 12.762 2.532 -22.551 1.00 13.31 C ATOM 0 H LEU A 46 15.637 4.148 -19.003 1.00 14.22 H new ATOM 0 HA LEU A 46 15.960 1.473 -19.901 1.00 33.32 H new ATOM 0 HB2 LEU A 46 13.834 2.626 -20.059 1.00 52.43 H new ATOM 0 HB3 LEU A 46 14.536 3.920 -21.009 1.00 52.43 H new ATOM 0 HG LEU A 46 14.868 2.403 -22.906 1.00 54.41 H new ATOM 0 HD11 LEU A 46 13.962 0.112 -22.873 1.00 31.41 H new ATOM 0 HD12 LEU A 46 15.277 0.323 -21.693 1.00 31.41 H new ATOM 0 HD13 LEU A 46 13.584 0.292 -21.143 1.00 31.41 H new ATOM 0 HD21 LEU A 46 12.491 2.007 -23.467 1.00 13.31 H new ATOM 0 HD22 LEU A 46 12.051 2.279 -21.764 1.00 13.31 H new ATOM 0 HD23 LEU A 46 12.739 3.607 -22.729 1.00 13.31 H new ATOM 730 N GLY A 47 17.408 3.825 -21.731 1.00 14.22 N ATOM 731 CA GLY A 47 18.436 4.033 -22.744 1.00 64.23 C ATOM 732 C GLY A 47 19.762 3.364 -22.388 1.00 12.25 C ATOM 733 O GLY A 47 20.382 2.711 -23.230 1.00 20.04 O ATOM 0 H GLY A 47 17.024 4.681 -21.331 1.00 14.22 H new ATOM 0 HA2 GLY A 47 18.083 3.644 -23.699 1.00 64.23 H new ATOM 0 HA3 GLY A 47 18.598 5.103 -22.876 1.00 64.23 H new ATOM 737 N LYS A 48 20.191 3.519 -21.131 1.00 13.13 N ATOM 738 CA LYS A 48 21.424 2.881 -20.646 1.00 11.34 C ATOM 739 C LYS A 48 21.356 1.354 -20.817 1.00 62.52 C ATOM 740 O LYS A 48 22.367 0.696 -21.085 1.00 43.10 O ATOM 741 CB LYS A 48 21.668 3.233 -19.166 1.00 35.41 C ATOM 742 CG LYS A 48 21.544 4.726 -18.851 1.00 30.12 C ATOM 743 CD LYS A 48 22.574 5.586 -19.595 1.00 55.24 C ATOM 744 CE LYS A 48 23.937 5.606 -18.902 1.00 44.34 C ATOM 745 NZ LYS A 48 24.599 4.274 -18.887 1.00 71.42 N ATOM 0 H LYS A 48 19.705 4.079 -20.431 1.00 13.13 H new ATOM 0 HA LYS A 48 22.254 3.260 -21.242 1.00 11.34 H new ATOM 0 HB2 LYS A 48 20.957 2.682 -18.550 1.00 35.41 H new ATOM 0 HB3 LYS A 48 22.664 2.894 -18.882 1.00 35.41 H new ATOM 0 HG2 LYS A 48 20.541 5.064 -19.112 1.00 30.12 H new ATOM 0 HG3 LYS A 48 21.662 4.876 -17.778 1.00 30.12 H new ATOM 0 HD2 LYS A 48 22.693 5.207 -20.610 1.00 55.24 H new ATOM 0 HD3 LYS A 48 22.198 6.606 -19.678 1.00 55.24 H new ATOM 0 HE2 LYS A 48 24.585 6.322 -19.407 1.00 44.34 H new ATOM 0 HE3 LYS A 48 23.813 5.956 -17.877 1.00 44.34 H new ATOM 0 HZ1 LYS A 48 25.631 4.399 -18.897 1.00 71.42 H new ATOM 0 HZ2 LYS A 48 24.321 3.758 -18.028 1.00 71.42 H new ATOM 0 HZ3 LYS A 48 24.308 3.732 -19.726 1.00 71.42 H new ATOM 759 N LEU A 49 20.152 0.799 -20.659 1.00 61.52 N ATOM 760 CA LEU A 49 19.920 -0.634 -20.867 1.00 55.21 C ATOM 761 C LEU A 49 20.022 -0.995 -22.358 1.00 11.53 C ATOM 762 O LEU A 49 20.645 -1.996 -22.721 1.00 61.14 O ATOM 763 CB LEU A 49 18.547 -1.038 -20.299 1.00 64.52 C ATOM 764 CG LEU A 49 18.172 -2.528 -20.439 1.00 71.31 C ATOM 765 CD1 LEU A 49 19.256 -3.427 -19.845 1.00 15.23 C ATOM 766 CD2 LEU A 49 16.828 -2.803 -19.765 1.00 51.21 C ATOM 0 H LEU A 49 19.319 1.322 -20.387 1.00 61.52 H new ATOM 0 HA LEU A 49 20.692 -1.190 -20.335 1.00 55.21 H new ATOM 0 HB2 LEU A 49 18.521 -0.775 -19.242 1.00 64.52 H new ATOM 0 HB3 LEU A 49 17.781 -0.442 -20.795 1.00 64.52 H new ATOM 0 HG LEU A 49 18.088 -2.756 -21.502 1.00 71.31 H new ATOM 0 HD11 LEU A 49 18.965 -4.471 -19.958 1.00 15.23 H new ATOM 0 HD12 LEU A 49 20.198 -3.255 -20.366 1.00 15.23 H new ATOM 0 HD13 LEU A 49 19.380 -3.197 -18.787 1.00 15.23 H new ATOM 0 HD21 LEU A 49 16.577 -3.858 -19.872 1.00 51.21 H new ATOM 0 HD22 LEU A 49 16.893 -2.551 -18.707 1.00 51.21 H new ATOM 0 HD23 LEU A 49 16.054 -2.196 -20.235 1.00 51.21 H new ATOM 778 N TYR A 50 19.424 -0.169 -23.221 1.00 21.14 N ATOM 779 CA TYR A 50 19.545 -0.355 -24.673 1.00 42.22 C ATOM 780 C TYR A 50 21.017 -0.349 -25.111 1.00 42.03 C ATOM 781 O TYR A 50 21.453 -1.229 -25.855 1.00 20.14 O ATOM 782 CB TYR A 50 18.767 0.731 -25.439 1.00 34.11 C ATOM 783 CG TYR A 50 17.282 0.451 -25.593 1.00 50.11 C ATOM 784 CD1 TYR A 50 16.838 -0.783 -26.058 1.00 35.44 C ATOM 785 CD2 TYR A 50 16.328 1.419 -25.295 1.00 53.13 C ATOM 786 CE1 TYR A 50 15.492 -1.045 -26.218 1.00 23.42 C ATOM 787 CE2 TYR A 50 14.979 1.165 -25.458 1.00 52.54 C ATOM 788 CZ TYR A 50 14.566 -0.068 -25.919 1.00 1.44 C ATOM 789 OH TYR A 50 13.221 -0.323 -26.091 1.00 23.23 O ATOM 0 H TYR A 50 18.854 0.630 -22.944 1.00 21.14 H new ATOM 0 HA TYR A 50 19.114 -1.327 -24.912 1.00 42.22 H new ATOM 0 HB2 TYR A 50 18.893 1.683 -24.923 1.00 34.11 H new ATOM 0 HB3 TYR A 50 19.207 0.845 -26.430 1.00 34.11 H new ATOM 0 HD1 TYR A 50 17.560 -1.550 -26.298 1.00 35.44 H new ATOM 0 HD2 TYR A 50 16.647 2.384 -24.930 1.00 53.13 H new ATOM 0 HE1 TYR A 50 15.166 -2.010 -26.576 1.00 23.42 H new ATOM 0 HE2 TYR A 50 14.251 1.929 -25.225 1.00 52.54 H new ATOM 0 HH TYR A 50 13.044 -1.272 -25.922 1.00 23.23 H new ATOM 799 N GLU A 51 21.777 0.638 -24.638 1.00 65.30 N ATOM 800 CA GLU A 51 23.208 0.734 -24.950 1.00 74.53 C ATOM 801 C GLU A 51 23.965 -0.534 -24.513 1.00 32.00 C ATOM 802 O GLU A 51 24.882 -0.988 -25.202 1.00 22.45 O ATOM 803 CB GLU A 51 23.824 1.976 -24.287 1.00 10.04 C ATOM 804 CG GLU A 51 23.231 3.298 -24.775 1.00 61.31 C ATOM 805 CD GLU A 51 23.901 4.510 -24.145 1.00 14.31 C ATOM 806 OE1 GLU A 51 23.447 4.967 -23.072 1.00 32.41 O ATOM 807 OE2 GLU A 51 24.899 5.009 -24.707 1.00 62.04 O ATOM 0 H GLU A 51 21.428 1.384 -24.037 1.00 65.30 H new ATOM 0 HA GLU A 51 23.304 0.828 -26.032 1.00 74.53 H new ATOM 0 HB2 GLU A 51 23.688 1.905 -23.208 1.00 10.04 H new ATOM 0 HB3 GLU A 51 24.898 1.980 -24.473 1.00 10.04 H new ATOM 0 HG2 GLU A 51 23.328 3.357 -25.859 1.00 61.31 H new ATOM 0 HG3 GLU A 51 22.165 3.319 -24.549 1.00 61.31 H new ATOM 814 N ARG A 52 23.570 -1.111 -23.373 1.00 30.40 N ATOM 815 CA ARG A 52 24.154 -2.376 -22.905 1.00 33.44 C ATOM 816 C ARG A 52 23.867 -3.509 -23.903 1.00 34.53 C ATOM 817 O ARG A 52 24.727 -4.350 -24.177 1.00 13.52 O ATOM 818 CB ARG A 52 23.612 -2.740 -21.510 1.00 21.24 C ATOM 819 CG ARG A 52 24.140 -4.072 -20.967 1.00 55.22 C ATOM 820 CD ARG A 52 23.717 -4.314 -19.517 1.00 32.50 C ATOM 821 NE ARG A 52 24.055 -5.667 -19.067 1.00 5.41 N ATOM 822 CZ ARG A 52 24.407 -5.980 -17.847 1.00 74.21 C ATOM 823 NH1 ARG A 52 24.550 -5.067 -16.940 1.00 33.33 N ATOM 824 NH2 ARG A 52 24.633 -7.217 -17.541 1.00 72.15 N ATOM 0 H ARG A 52 22.852 -0.726 -22.759 1.00 30.40 H new ATOM 0 HA ARG A 52 25.234 -2.246 -22.833 1.00 33.44 H new ATOM 0 HB2 ARG A 52 23.872 -1.945 -20.811 1.00 21.24 H new ATOM 0 HB3 ARG A 52 22.524 -2.782 -21.554 1.00 21.24 H new ATOM 0 HG2 ARG A 52 23.774 -4.887 -21.591 1.00 55.22 H new ATOM 0 HG3 ARG A 52 25.228 -4.084 -21.033 1.00 55.22 H new ATOM 0 HD2 ARG A 52 24.204 -3.584 -18.870 1.00 32.50 H new ATOM 0 HD3 ARG A 52 22.643 -4.158 -19.421 1.00 32.50 H new ATOM 0 HE ARG A 52 24.013 -6.419 -19.755 1.00 5.41 H new ATOM 0 HH11 ARG A 52 24.388 -4.087 -17.173 1.00 33.33 H new ATOM 0 HH12 ARG A 52 24.825 -5.328 -15.993 1.00 33.33 H new ATOM 0 HH21 ARG A 52 24.536 -7.944 -18.250 1.00 72.15 H new ATOM 0 HH22 ARG A 52 24.908 -7.465 -16.591 1.00 72.15 H new ATOM 838 N LEU A 53 22.659 -3.505 -24.464 1.00 54.24 N ATOM 839 CA LEU A 53 22.254 -4.498 -25.469 1.00 33.54 C ATOM 840 C LEU A 53 22.655 -4.064 -26.896 1.00 31.11 C ATOM 841 O LEU A 53 22.119 -4.577 -27.880 1.00 12.33 O ATOM 842 CB LEU A 53 20.735 -4.719 -25.393 1.00 4.45 C ATOM 843 CG LEU A 53 20.208 -5.214 -24.033 1.00 4.11 C ATOM 844 CD1 LEU A 53 18.687 -5.349 -24.056 1.00 33.24 C ATOM 845 CD2 LEU A 53 20.865 -6.539 -23.646 1.00 10.01 C ATOM 0 H LEU A 53 21.936 -2.821 -24.240 1.00 54.24 H new ATOM 0 HA LEU A 53 22.774 -5.431 -25.250 1.00 33.54 H new ATOM 0 HB2 LEU A 53 20.236 -3.782 -25.638 1.00 4.45 H new ATOM 0 HB3 LEU A 53 20.451 -5.441 -26.159 1.00 4.45 H new ATOM 0 HG LEU A 53 20.470 -4.472 -23.278 1.00 4.11 H new ATOM 0 HD11 LEU A 53 18.338 -5.700 -23.085 1.00 33.24 H new ATOM 0 HD12 LEU A 53 18.239 -4.380 -24.274 1.00 33.24 H new ATOM 0 HD13 LEU A 53 18.397 -6.064 -24.826 1.00 33.24 H new ATOM 0 HD21 LEU A 53 20.478 -6.869 -22.682 1.00 10.01 H new ATOM 0 HD22 LEU A 53 20.642 -7.290 -24.403 1.00 10.01 H new ATOM 0 HD23 LEU A 53 21.944 -6.403 -23.576 1.00 10.01 H new ATOM 857 N ASP A 54 23.593 -3.111 -26.991 1.00 73.33 N ATOM 858 CA ASP A 54 24.116 -2.619 -28.282 1.00 43.43 C ATOM 859 C ASP A 54 23.069 -1.806 -29.077 1.00 4.33 C ATOM 860 O ASP A 54 23.347 -1.317 -30.175 1.00 11.33 O ATOM 861 CB ASP A 54 24.659 -3.790 -29.122 1.00 62.22 C ATOM 862 CG ASP A 54 25.169 -3.356 -30.487 1.00 1.24 C ATOM 863 OD1 ASP A 54 26.153 -2.588 -30.546 1.00 34.30 O ATOM 864 OD2 ASP A 54 24.581 -3.771 -31.511 1.00 54.24 O ATOM 0 H ASP A 54 24.012 -2.658 -26.179 1.00 73.33 H new ATOM 0 HA ASP A 54 24.934 -1.935 -28.058 1.00 43.43 H new ATOM 0 HB2 ASP A 54 25.467 -4.277 -28.576 1.00 62.22 H new ATOM 0 HB3 ASP A 54 23.871 -4.532 -29.254 1.00 62.22 H new ATOM 869 N ARG A 55 21.880 -1.630 -28.512 1.00 35.23 N ATOM 870 CA ARG A 55 20.810 -0.889 -29.186 1.00 24.43 C ATOM 871 C ARG A 55 21.043 0.629 -29.082 1.00 51.34 C ATOM 872 O ARG A 55 20.273 1.351 -28.445 1.00 44.12 O ATOM 873 CB ARG A 55 19.444 -1.269 -28.594 1.00 11.25 C ATOM 874 CG ARG A 55 19.160 -2.771 -28.593 1.00 5.33 C ATOM 875 CD ARG A 55 19.293 -3.384 -29.984 1.00 24.24 C ATOM 876 NE ARG A 55 18.444 -2.715 -30.964 1.00 3.25 N ATOM 877 CZ ARG A 55 18.028 -3.257 -32.074 1.00 55.12 C ATOM 878 NH1 ARG A 55 18.307 -4.489 -32.364 1.00 0.33 N ATOM 879 NH2 ARG A 55 17.308 -2.563 -32.890 1.00 55.01 N ATOM 0 H ARG A 55 21.629 -1.988 -27.591 1.00 35.23 H new ATOM 0 HA ARG A 55 20.819 -1.159 -30.242 1.00 24.43 H new ATOM 0 HB2 ARG A 55 19.388 -0.899 -27.570 1.00 11.25 H new ATOM 0 HB3 ARG A 55 18.662 -0.763 -29.159 1.00 11.25 H new ATOM 0 HG2 ARG A 55 19.849 -3.269 -27.911 1.00 5.33 H new ATOM 0 HG3 ARG A 55 18.153 -2.948 -28.214 1.00 5.33 H new ATOM 0 HD2 ARG A 55 20.333 -3.326 -30.307 1.00 24.24 H new ATOM 0 HD3 ARG A 55 19.031 -4.441 -29.940 1.00 24.24 H new ATOM 0 HE ARG A 55 18.156 -1.757 -30.767 1.00 3.25 H new ATOM 0 HH11 ARG A 55 18.861 -5.052 -31.719 1.00 0.33 H new ATOM 0 HH12 ARG A 55 17.972 -4.896 -33.238 1.00 0.33 H new ATOM 0 HH21 ARG A 55 17.068 -1.598 -32.664 1.00 55.01 H new ATOM 0 HH22 ARG A 55 16.979 -2.980 -33.761 1.00 55.01 H new ATOM 893 N THR A 56 22.116 1.097 -29.716 1.00 45.43 N ATOM 894 CA THR A 56 22.516 2.508 -29.658 1.00 43.04 C ATOM 895 C THR A 56 21.469 3.425 -30.305 1.00 22.51 C ATOM 896 O THR A 56 21.016 4.394 -29.695 1.00 64.22 O ATOM 897 CB THR A 56 23.878 2.728 -30.364 1.00 52.41 C ATOM 898 OG1 THR A 56 24.883 1.883 -29.775 1.00 53.42 O ATOM 899 CG2 THR A 56 24.324 4.189 -30.278 1.00 64.21 C ATOM 0 H THR A 56 22.733 0.515 -30.283 1.00 45.43 H new ATOM 0 HA THR A 56 22.603 2.764 -28.602 1.00 43.04 H new ATOM 0 HB THR A 56 23.751 2.470 -31.415 1.00 52.41 H new ATOM 0 HG1 THR A 56 25.739 2.028 -30.229 1.00 53.42 H new ATOM 0 HG21 THR A 56 25.283 4.307 -30.783 1.00 64.21 H new ATOM 0 HG22 THR A 56 23.580 4.825 -30.758 1.00 64.21 H new ATOM 0 HG23 THR A 56 24.427 4.477 -29.232 1.00 64.21 H new ATOM 907 N ASP A 57 21.079 3.101 -31.537 1.00 51.45 N ATOM 908 CA ASP A 57 20.096 3.899 -32.276 1.00 15.24 C ATOM 909 C ASP A 57 18.749 3.930 -31.536 1.00 64.32 C ATOM 910 O ASP A 57 18.153 4.991 -31.342 1.00 2.43 O ATOM 911 CB ASP A 57 19.922 3.323 -33.687 1.00 21.11 C ATOM 912 CG ASP A 57 18.939 4.118 -34.526 1.00 74.04 C ATOM 913 OD1 ASP A 57 19.223 5.298 -34.815 1.00 53.43 O ATOM 914 OD2 ASP A 57 17.889 3.565 -34.914 1.00 65.55 O ATOM 0 H ASP A 57 21.428 2.290 -32.047 1.00 51.45 H new ATOM 0 HA ASP A 57 20.460 4.924 -32.351 1.00 15.24 H new ATOM 0 HB2 ASP A 57 20.889 3.303 -34.189 1.00 21.11 H new ATOM 0 HB3 ASP A 57 19.580 2.291 -33.614 1.00 21.11 H new ATOM 919 N ASP A 58 18.296 2.755 -31.113 1.00 64.13 N ATOM 920 CA ASP A 58 17.061 2.620 -30.336 1.00 55.31 C ATOM 921 C ASP A 58 17.118 3.477 -29.059 1.00 44.34 C ATOM 922 O ASP A 58 16.135 4.119 -28.674 1.00 12.43 O ATOM 923 CB ASP A 58 16.842 1.147 -29.976 1.00 4.33 C ATOM 924 CG ASP A 58 16.974 0.234 -31.184 1.00 23.44 C ATOM 925 OD1 ASP A 58 18.111 0.037 -31.665 1.00 53.11 O ATOM 926 OD2 ASP A 58 15.953 -0.307 -31.655 1.00 44.31 O ATOM 0 H ASP A 58 18.769 1.870 -31.296 1.00 64.13 H new ATOM 0 HA ASP A 58 16.226 2.974 -30.941 1.00 55.31 H new ATOM 0 HB2 ASP A 58 17.565 0.849 -29.217 1.00 4.33 H new ATOM 0 HB3 ASP A 58 15.851 1.025 -29.538 1.00 4.33 H new ATOM 931 N ALA A 59 18.284 3.481 -28.409 1.00 14.11 N ATOM 932 CA ALA A 59 18.512 4.320 -27.230 1.00 2.31 C ATOM 933 C ALA A 59 18.372 5.810 -27.575 1.00 34.32 C ATOM 934 O ALA A 59 17.747 6.570 -26.837 1.00 32.04 O ATOM 935 CB ALA A 59 19.891 4.041 -26.639 1.00 43.22 C ATOM 0 H ALA A 59 19.086 2.912 -28.680 1.00 14.11 H new ATOM 0 HA ALA A 59 17.753 4.072 -26.488 1.00 2.31 H new ATOM 0 HB1 ALA A 59 20.046 4.672 -25.764 1.00 43.22 H new ATOM 0 HB2 ALA A 59 19.957 2.993 -26.347 1.00 43.22 H new ATOM 0 HB3 ALA A 59 20.657 4.259 -27.383 1.00 43.22 H new ATOM 941 N ILE A 60 18.946 6.217 -28.710 1.00 12.32 N ATOM 942 CA ILE A 60 18.868 7.610 -29.173 1.00 43.42 C ATOM 943 C ILE A 60 17.407 8.085 -29.286 1.00 20.54 C ATOM 944 O ILE A 60 17.046 9.133 -28.746 1.00 3.04 O ATOM 945 CB ILE A 60 19.586 7.792 -30.539 1.00 63.52 C ATOM 946 CG1 ILE A 60 21.080 7.450 -30.405 1.00 70.33 C ATOM 947 CG2 ILE A 60 19.403 9.216 -31.070 1.00 22.00 C ATOM 948 CD1 ILE A 60 21.839 7.492 -31.715 1.00 73.43 C ATOM 0 H ILE A 60 19.472 5.601 -29.329 1.00 12.32 H new ATOM 0 HA ILE A 60 19.375 8.221 -28.427 1.00 43.42 H new ATOM 0 HB ILE A 60 19.135 7.107 -31.257 1.00 63.52 H new ATOM 0 HG12 ILE A 60 21.541 8.148 -29.707 1.00 70.33 H new ATOM 0 HG13 ILE A 60 21.177 6.455 -29.972 1.00 70.33 H new ATOM 0 HG21 ILE A 60 19.915 9.316 -32.027 1.00 22.00 H new ATOM 0 HG22 ILE A 60 18.341 9.421 -31.204 1.00 22.00 H new ATOM 0 HG23 ILE A 60 19.822 9.927 -30.358 1.00 22.00 H new ATOM 0 HD11 ILE A 60 22.885 7.240 -31.538 1.00 73.43 H new ATOM 0 HD12 ILE A 60 21.405 6.773 -32.410 1.00 73.43 H new ATOM 0 HD13 ILE A 60 21.775 8.493 -32.141 1.00 73.43 H new ATOM 960 N ASP A 61 16.571 7.307 -29.977 1.00 4.15 N ATOM 961 CA ASP A 61 15.138 7.623 -30.086 1.00 2.04 C ATOM 962 C ASP A 61 14.471 7.690 -28.701 1.00 71.22 C ATOM 963 O ASP A 61 13.636 8.563 -28.438 1.00 13.11 O ATOM 964 CB ASP A 61 14.421 6.590 -30.961 1.00 70.23 C ATOM 965 CG ASP A 61 14.865 6.653 -32.409 1.00 1.00 C ATOM 966 OD1 ASP A 61 14.482 7.613 -33.111 1.00 71.42 O ATOM 967 OD2 ASP A 61 15.601 5.752 -32.855 1.00 74.33 O ATOM 0 H ASP A 61 16.855 6.459 -30.467 1.00 4.15 H new ATOM 0 HA ASP A 61 15.054 8.604 -30.554 1.00 2.04 H new ATOM 0 HB2 ASP A 61 14.611 5.591 -30.569 1.00 70.23 H new ATOM 0 HB3 ASP A 61 13.345 6.755 -30.906 1.00 70.23 H new ATOM 972 N THR A 62 14.850 6.766 -27.819 1.00 54.11 N ATOM 973 CA THR A 62 14.341 6.753 -26.438 1.00 52.14 C ATOM 974 C THR A 62 14.676 8.065 -25.709 1.00 64.42 C ATOM 975 O THR A 62 13.813 8.674 -25.071 1.00 35.32 O ATOM 976 CB THR A 62 14.917 5.561 -25.630 1.00 65.25 C ATOM 977 OG1 THR A 62 14.536 4.321 -26.244 1.00 22.03 O ATOM 978 CG2 THR A 62 14.431 5.576 -24.182 1.00 41.40 C ATOM 0 H THR A 62 15.507 6.015 -28.031 1.00 54.11 H new ATOM 0 HA THR A 62 13.258 6.645 -26.504 1.00 52.14 H new ATOM 0 HB THR A 62 16.003 5.658 -25.629 1.00 65.25 H new ATOM 0 HG1 THR A 62 15.032 4.205 -27.081 1.00 22.03 H new ATOM 0 HG21 THR A 62 14.855 4.726 -23.647 1.00 41.40 H new ATOM 0 HG22 THR A 62 14.747 6.502 -23.702 1.00 41.40 H new ATOM 0 HG23 THR A 62 13.343 5.511 -24.163 1.00 41.40 H new ATOM 986 N TYR A 63 15.931 8.502 -25.819 1.00 43.21 N ATOM 987 CA TYR A 63 16.362 9.771 -25.223 1.00 41.53 C ATOM 988 C TYR A 63 15.675 10.966 -25.902 1.00 64.23 C ATOM 989 O TYR A 63 15.328 11.939 -25.245 1.00 23.14 O ATOM 990 CB TYR A 63 17.889 9.935 -25.323 1.00 20.13 C ATOM 991 CG TYR A 63 18.685 8.911 -24.532 1.00 52.24 C ATOM 992 CD1 TYR A 63 18.494 8.763 -23.162 1.00 33.41 C ATOM 993 CD2 TYR A 63 19.633 8.101 -25.152 1.00 41.41 C ATOM 994 CE1 TYR A 63 19.221 7.840 -22.436 1.00 72.32 C ATOM 995 CE2 TYR A 63 20.362 7.175 -24.431 1.00 34.54 C ATOM 996 CZ TYR A 63 20.152 7.050 -23.074 1.00 2.23 C ATOM 997 OH TYR A 63 20.871 6.125 -22.353 1.00 41.25 O ATOM 0 H TYR A 63 16.667 7.998 -26.314 1.00 43.21 H new ATOM 0 HA TYR A 63 16.073 9.749 -24.172 1.00 41.53 H new ATOM 0 HB2 TYR A 63 18.181 9.872 -26.371 1.00 20.13 H new ATOM 0 HB3 TYR A 63 18.158 10.933 -24.976 1.00 20.13 H new ATOM 0 HD1 TYR A 63 17.765 9.380 -22.658 1.00 33.41 H new ATOM 0 HD2 TYR A 63 19.801 8.198 -26.214 1.00 41.41 H new ATOM 0 HE1 TYR A 63 19.060 7.738 -21.373 1.00 72.32 H new ATOM 0 HE2 TYR A 63 21.092 6.553 -24.927 1.00 34.54 H new ATOM 0 HH TYR A 63 21.700 5.911 -22.830 1.00 41.25 H new ATOM 1007 N ALA A 64 15.475 10.874 -27.219 1.00 75.45 N ATOM 1008 CA ALA A 64 14.889 11.969 -28.008 1.00 44.52 C ATOM 1009 C ALA A 64 13.501 12.388 -27.501 1.00 4.30 C ATOM 1010 O ALA A 64 13.276 13.556 -27.181 1.00 20.44 O ATOM 1011 CB ALA A 64 14.810 11.569 -29.475 1.00 1.51 C ATOM 0 H ALA A 64 15.711 10.047 -27.768 1.00 75.45 H new ATOM 0 HA ALA A 64 15.544 12.832 -27.894 1.00 44.52 H new ATOM 0 HB1 ALA A 64 14.375 12.385 -30.052 1.00 1.51 H new ATOM 0 HB2 ALA A 64 15.811 11.354 -29.848 1.00 1.51 H new ATOM 0 HB3 ALA A 64 14.187 10.681 -29.577 1.00 1.51 H new ATOM 1017 N GLN A 65 12.566 11.439 -27.430 1.00 22.24 N ATOM 1018 CA GLN A 65 11.220 11.735 -26.924 1.00 41.04 C ATOM 1019 C GLN A 65 11.297 12.154 -25.444 1.00 53.22 C ATOM 1020 O GLN A 65 10.520 12.987 -24.971 1.00 4.24 O ATOM 1021 CB GLN A 65 10.295 10.516 -27.117 1.00 52.14 C ATOM 1022 CG GLN A 65 8.798 10.847 -27.149 1.00 70.42 C ATOM 1023 CD GLN A 65 8.172 11.078 -25.778 1.00 53.40 C ATOM 1024 OE1 GLN A 65 8.624 10.347 -24.779 1.00 75.34 O flip ATOM 1025 NE2 GLN A 65 7.256 11.884 -25.630 1.00 51.40 N flip ATOM 0 H GLN A 65 12.711 10.470 -27.712 1.00 22.24 H new ATOM 0 HA GLN A 65 10.797 12.565 -27.490 1.00 41.04 H new ATOM 0 HB2 GLN A 65 10.563 10.017 -28.048 1.00 52.14 H new ATOM 0 HB3 GLN A 65 10.479 9.806 -26.311 1.00 52.14 H new ATOM 0 HG2 GLN A 65 8.649 11.739 -27.757 1.00 70.42 H new ATOM 0 HG3 GLN A 65 8.269 10.032 -27.643 1.00 70.42 H new ATOM 0 HE21 GLN A 65 6.929 12.435 -26.423 1.00 51.40 H new ATOM 0 HE22 GLN A 65 6.823 12.002 -24.714 1.00 51.40 H new ATOM 1034 N GLY A 66 12.265 11.580 -24.727 1.00 22.21 N ATOM 1035 CA GLY A 66 12.531 11.995 -23.356 1.00 73.04 C ATOM 1036 C GLY A 66 12.979 13.453 -23.262 1.00 3.15 C ATOM 1037 O GLY A 66 12.603 14.163 -22.334 1.00 42.05 O ATOM 0 H GLY A 66 12.870 10.835 -25.072 1.00 22.21 H new ATOM 0 HA2 GLY A 66 11.631 11.855 -22.757 1.00 73.04 H new ATOM 0 HA3 GLY A 66 13.302 11.353 -22.929 1.00 73.04 H new ATOM 1041 N ILE A 67 13.783 13.896 -24.231 1.00 52.42 N ATOM 1042 CA ILE A 67 14.254 15.287 -24.297 1.00 51.02 C ATOM 1043 C ILE A 67 13.077 16.273 -24.306 1.00 33.23 C ATOM 1044 O ILE A 67 13.105 17.300 -23.617 1.00 44.12 O ATOM 1045 CB ILE A 67 15.136 15.514 -25.559 1.00 24.02 C ATOM 1046 CG1 ILE A 67 16.475 14.772 -25.418 1.00 51.25 C ATOM 1047 CG2 ILE A 67 15.370 17.003 -25.822 1.00 21.01 C ATOM 1048 CD1 ILE A 67 17.344 14.836 -26.657 1.00 2.02 C ATOM 0 H ILE A 67 14.126 13.307 -24.990 1.00 52.42 H new ATOM 0 HA ILE A 67 14.855 15.470 -23.406 1.00 51.02 H new ATOM 0 HB ILE A 67 14.599 15.109 -26.417 1.00 24.02 H new ATOM 0 HG12 ILE A 67 17.026 15.193 -24.577 1.00 51.25 H new ATOM 0 HG13 ILE A 67 16.277 13.727 -25.178 1.00 51.25 H new ATOM 0 HG21 ILE A 67 15.990 17.123 -26.711 1.00 21.01 H new ATOM 0 HG22 ILE A 67 14.412 17.500 -25.978 1.00 21.01 H new ATOM 0 HG23 ILE A 67 15.875 17.449 -24.965 1.00 21.01 H new ATOM 0 HD11 ILE A 67 18.271 14.290 -26.480 1.00 2.02 H new ATOM 0 HD12 ILE A 67 16.813 14.388 -27.497 1.00 2.02 H new ATOM 0 HD13 ILE A 67 17.574 15.876 -26.887 1.00 2.02 H new ATOM 1060 N GLU A 68 12.042 15.938 -25.076 1.00 74.13 N ATOM 1061 CA GLU A 68 10.842 16.776 -25.178 1.00 74.52 C ATOM 1062 C GLU A 68 10.144 16.915 -23.816 1.00 43.03 C ATOM 1063 O GLU A 68 9.936 18.025 -23.316 1.00 4.34 O ATOM 1064 CB GLU A 68 9.865 16.181 -26.209 1.00 2.43 C ATOM 1065 CG GLU A 68 10.503 15.875 -27.565 1.00 15.01 C ATOM 1066 CD GLU A 68 9.513 15.340 -28.593 1.00 35.31 C ATOM 1067 OE1 GLU A 68 8.621 14.545 -28.221 1.00 25.14 O ATOM 1068 OE2 GLU A 68 9.636 15.692 -29.787 1.00 3.11 O ATOM 0 H GLU A 68 12.008 15.090 -25.641 1.00 74.13 H new ATOM 0 HA GLU A 68 11.152 17.768 -25.506 1.00 74.52 H new ATOM 0 HB2 GLU A 68 9.439 15.263 -25.804 1.00 2.43 H new ATOM 0 HB3 GLU A 68 9.039 16.877 -26.356 1.00 2.43 H new ATOM 0 HG2 GLU A 68 10.965 16.783 -27.954 1.00 15.01 H new ATOM 0 HG3 GLU A 68 11.301 15.146 -27.426 1.00 15.01 H new ATOM 1075 N VAL A 69 9.808 15.780 -23.203 1.00 3.43 N ATOM 1076 CA VAL A 69 9.121 15.782 -21.907 1.00 33.40 C ATOM 1077 C VAL A 69 10.029 16.295 -20.773 1.00 13.55 C ATOM 1078 O VAL A 69 9.549 16.835 -19.777 1.00 4.43 O ATOM 1079 CB VAL A 69 8.583 14.374 -21.540 1.00 11.33 C ATOM 1080 CG1 VAL A 69 7.683 13.835 -22.647 1.00 15.43 C ATOM 1081 CG2 VAL A 69 9.724 13.401 -21.252 1.00 64.13 C ATOM 0 H VAL A 69 9.998 14.851 -23.579 1.00 3.43 H new ATOM 0 HA VAL A 69 8.278 16.465 -22.013 1.00 33.40 H new ATOM 0 HB VAL A 69 7.991 14.472 -20.630 1.00 11.33 H new ATOM 0 HG11 VAL A 69 7.317 12.847 -22.369 1.00 15.43 H new ATOM 0 HG12 VAL A 69 6.838 14.509 -22.789 1.00 15.43 H new ATOM 0 HG13 VAL A 69 8.250 13.764 -23.575 1.00 15.43 H new ATOM 0 HG21 VAL A 69 9.313 12.424 -20.998 1.00 64.13 H new ATOM 0 HG22 VAL A 69 10.357 13.311 -22.135 1.00 64.13 H new ATOM 0 HG23 VAL A 69 10.318 13.773 -20.417 1.00 64.13 H new ATOM 1091 N ALA A 70 11.341 16.132 -20.934 1.00 42.15 N ATOM 1092 CA ALA A 70 12.309 16.572 -19.924 1.00 44.03 C ATOM 1093 C ALA A 70 12.367 18.102 -19.811 1.00 41.01 C ATOM 1094 O ALA A 70 12.250 18.652 -18.718 1.00 42.03 O ATOM 1095 CB ALA A 70 13.695 16.017 -20.233 1.00 64.13 C ATOM 0 H ALA A 70 11.761 15.698 -21.756 1.00 42.15 H new ATOM 0 HA ALA A 70 11.972 16.182 -18.964 1.00 44.03 H new ATOM 0 HB1 ALA A 70 14.400 16.354 -19.473 1.00 64.13 H new ATOM 0 HB2 ALA A 70 13.658 14.928 -20.236 1.00 64.13 H new ATOM 0 HB3 ALA A 70 14.019 16.372 -21.211 1.00 64.13 H new ATOM 1101 N ARG A 71 12.545 18.784 -20.942 1.00 1.41 N ATOM 1102 CA ARG A 71 12.670 20.249 -20.942 1.00 32.32 C ATOM 1103 C ARG A 71 11.357 20.947 -20.548 1.00 61.31 C ATOM 1104 O ARG A 71 11.370 21.983 -19.879 1.00 31.51 O ATOM 1105 CB ARG A 71 13.135 20.754 -22.316 1.00 63.43 C ATOM 1106 CG ARG A 71 12.212 20.378 -23.471 1.00 32.42 C ATOM 1107 CD ARG A 71 12.701 20.953 -24.796 1.00 15.32 C ATOM 1108 NE ARG A 71 14.066 20.532 -25.111 1.00 45.14 N ATOM 1109 CZ ARG A 71 14.771 21.007 -26.105 1.00 12.43 C ATOM 1110 NH1 ARG A 71 14.270 21.890 -26.912 1.00 40.24 N ATOM 1111 NH2 ARG A 71 15.981 20.590 -26.295 1.00 11.14 N ATOM 0 H ARG A 71 12.606 18.354 -21.865 1.00 1.41 H new ATOM 0 HA ARG A 71 13.418 20.501 -20.191 1.00 32.32 H new ATOM 0 HB2 ARG A 71 13.227 21.840 -22.279 1.00 63.43 H new ATOM 0 HB3 ARG A 71 14.130 20.357 -22.518 1.00 63.43 H new ATOM 0 HG2 ARG A 71 12.148 19.293 -23.547 1.00 32.42 H new ATOM 0 HG3 ARG A 71 11.206 20.743 -23.266 1.00 32.42 H new ATOM 0 HD2 ARG A 71 12.032 20.637 -25.596 1.00 15.32 H new ATOM 0 HD3 ARG A 71 12.659 22.041 -24.756 1.00 15.32 H new ATOM 0 HE ARG A 71 14.496 19.822 -24.517 1.00 45.14 H new ATOM 0 HH11 ARG A 71 13.315 22.222 -26.775 1.00 40.24 H new ATOM 0 HH12 ARG A 71 14.831 22.252 -27.683 1.00 40.24 H new ATOM 0 HH21 ARG A 71 16.384 19.892 -25.670 1.00 11.14 H new ATOM 0 HH22 ARG A 71 16.532 20.959 -27.070 1.00 11.14 H new ATOM 1125 N GLU A 72 10.228 20.389 -20.976 1.00 21.23 N ATOM 1126 CA GLU A 72 8.920 21.001 -20.716 1.00 61.25 C ATOM 1127 C GLU A 72 8.322 20.563 -19.367 1.00 61.11 C ATOM 1128 O GLU A 72 7.942 21.403 -18.550 1.00 62.10 O ATOM 1129 CB GLU A 72 7.962 20.681 -21.872 1.00 62.04 C ATOM 1130 CG GLU A 72 8.396 21.313 -23.195 1.00 10.35 C ATOM 1131 CD GLU A 72 7.521 20.914 -24.373 1.00 73.25 C ATOM 1132 OE1 GLU A 72 6.381 21.417 -24.471 1.00 3.14 O ATOM 1133 OE2 GLU A 72 7.978 20.118 -25.221 1.00 63.32 O ATOM 0 H GLU A 72 10.188 19.517 -21.503 1.00 21.23 H new ATOM 0 HA GLU A 72 9.064 22.080 -20.652 1.00 61.25 H new ATOM 0 HB2 GLU A 72 7.897 19.600 -21.995 1.00 62.04 H new ATOM 0 HB3 GLU A 72 6.962 21.033 -21.617 1.00 62.04 H new ATOM 0 HG2 GLU A 72 8.381 22.398 -23.092 1.00 10.35 H new ATOM 0 HG3 GLU A 72 9.427 21.027 -23.405 1.00 10.35 H new ATOM 1140 N GLU A 73 8.255 19.256 -19.121 1.00 22.25 N ATOM 1141 CA GLU A 73 7.628 18.737 -17.894 1.00 12.24 C ATOM 1142 C GLU A 73 8.645 18.559 -16.751 1.00 3.45 C ATOM 1143 O GLU A 73 8.434 19.048 -15.640 1.00 21.10 O ATOM 1144 CB GLU A 73 6.928 17.399 -18.173 1.00 63.13 C ATOM 1145 CG GLU A 73 5.929 17.446 -19.324 1.00 71.02 C ATOM 1146 CD GLU A 73 4.875 18.534 -19.161 1.00 44.14 C ATOM 1147 OE1 GLU A 73 4.150 18.524 -18.145 1.00 55.50 O ATOM 1148 OE2 GLU A 73 4.757 19.398 -20.057 1.00 32.23 O ATOM 0 H GLU A 73 8.622 18.538 -19.745 1.00 22.25 H new ATOM 0 HA GLU A 73 6.893 19.477 -17.576 1.00 12.24 H new ATOM 0 HB2 GLU A 73 7.684 16.645 -18.393 1.00 63.13 H new ATOM 0 HB3 GLU A 73 6.410 17.077 -17.270 1.00 63.13 H new ATOM 0 HG2 GLU A 73 6.468 17.608 -20.258 1.00 71.02 H new ATOM 0 HG3 GLU A 73 5.433 16.479 -19.406 1.00 71.02 H new ATOM 1155 N GLY A 74 9.741 17.853 -17.026 1.00 25.41 N ATOM 1156 CA GLY A 74 10.731 17.560 -15.989 1.00 52.41 C ATOM 1157 C GLY A 74 11.517 18.787 -15.526 1.00 43.45 C ATOM 1158 O GLY A 74 11.070 19.530 -14.649 1.00 64.14 O ATOM 0 H GLY A 74 9.965 17.477 -17.947 1.00 25.41 H new ATOM 0 HA2 GLY A 74 10.225 17.118 -15.130 1.00 52.41 H new ATOM 0 HA3 GLY A 74 11.429 16.813 -16.366 1.00 52.41 H new ATOM 1162 N THR A 75 12.695 18.991 -16.116 1.00 3.21 N ATOM 1163 CA THR A 75 13.563 20.131 -15.773 1.00 2.44 C ATOM 1164 C THR A 75 14.790 20.203 -16.692 1.00 31.45 C ATOM 1165 O THR A 75 15.090 19.260 -17.431 1.00 3.25 O ATOM 1166 CB THR A 75 14.050 20.075 -14.303 1.00 63.12 C ATOM 1167 OG1 THR A 75 14.887 21.205 -14.011 1.00 64.25 O ATOM 1168 CG2 THR A 75 14.822 18.792 -14.026 1.00 33.34 C ATOM 0 H THR A 75 13.077 18.381 -16.839 1.00 3.21 H new ATOM 0 HA THR A 75 12.950 21.022 -15.910 1.00 2.44 H new ATOM 0 HB THR A 75 13.168 20.097 -13.662 1.00 63.12 H new ATOM 0 HG1 THR A 75 15.186 21.158 -13.079 1.00 64.25 H new ATOM 0 HG21 THR A 75 15.150 18.782 -12.987 1.00 33.34 H new ATOM 0 HG22 THR A 75 14.178 17.933 -14.211 1.00 33.34 H new ATOM 0 HG23 THR A 75 15.691 18.742 -14.682 1.00 33.34 H new ATOM 1176 N GLN A 76 15.511 21.319 -16.618 1.00 44.11 N ATOM 1177 CA GLN A 76 16.682 21.556 -17.470 1.00 2.12 C ATOM 1178 C GLN A 76 17.809 20.538 -17.207 1.00 64.34 C ATOM 1179 O GLN A 76 18.550 20.171 -18.124 1.00 23.40 O ATOM 1180 CB GLN A 76 17.205 22.983 -17.251 1.00 23.23 C ATOM 1181 CG GLN A 76 18.414 23.340 -18.113 1.00 24.03 C ATOM 1182 CD GLN A 76 18.968 24.718 -17.802 1.00 74.25 C ATOM 1183 OE1 GLN A 76 19.829 24.874 -16.941 1.00 1.24 O ATOM 1184 NE2 GLN A 76 18.485 25.725 -18.497 1.00 11.43 N ATOM 0 H GLN A 76 15.305 22.081 -15.972 1.00 44.11 H new ATOM 0 HA GLN A 76 16.365 21.432 -18.505 1.00 2.12 H new ATOM 0 HB2 GLN A 76 16.402 23.690 -17.460 1.00 23.23 H new ATOM 0 HB3 GLN A 76 17.472 23.104 -16.201 1.00 23.23 H new ATOM 0 HG2 GLN A 76 19.196 22.596 -17.961 1.00 24.03 H new ATOM 0 HG3 GLN A 76 18.131 23.295 -19.165 1.00 24.03 H new ATOM 0 HE21 GLN A 76 17.770 25.559 -19.205 1.00 11.43 H new ATOM 0 HE22 GLN A 76 18.826 26.671 -18.328 1.00 11.43 H new ATOM 1193 N LYS A 77 17.942 20.082 -15.960 1.00 73.32 N ATOM 1194 CA LYS A 77 18.997 19.120 -15.612 1.00 72.12 C ATOM 1195 C LYS A 77 18.782 17.768 -16.310 1.00 40.23 C ATOM 1196 O LYS A 77 19.684 17.264 -16.978 1.00 1.33 O ATOM 1197 CB LYS A 77 19.080 18.922 -14.089 1.00 11.22 C ATOM 1198 CG LYS A 77 20.157 17.922 -13.664 1.00 31.41 C ATOM 1199 CD LYS A 77 20.338 17.869 -12.149 1.00 63.43 C ATOM 1200 CE LYS A 77 21.421 16.871 -11.749 1.00 14.31 C ATOM 1201 NZ LYS A 77 22.738 17.197 -12.366 1.00 13.33 N ATOM 0 H LYS A 77 17.343 20.357 -15.182 1.00 73.32 H new ATOM 0 HA LYS A 77 19.941 19.536 -15.963 1.00 72.12 H new ATOM 0 HB2 LYS A 77 19.280 19.883 -13.616 1.00 11.22 H new ATOM 0 HB3 LYS A 77 18.112 18.581 -13.721 1.00 11.22 H new ATOM 0 HG2 LYS A 77 19.893 16.930 -14.030 1.00 31.41 H new ATOM 0 HG3 LYS A 77 21.104 18.192 -14.131 1.00 31.41 H new ATOM 0 HD2 LYS A 77 20.600 18.860 -11.778 1.00 63.43 H new ATOM 0 HD3 LYS A 77 19.395 17.592 -11.678 1.00 63.43 H new ATOM 0 HE2 LYS A 77 21.522 16.861 -10.664 1.00 14.31 H new ATOM 0 HE3 LYS A 77 21.118 15.868 -12.050 1.00 14.31 H new ATOM 0 HZ1 LYS A 77 23.485 16.639 -11.905 1.00 13.33 H new ATOM 0 HZ2 LYS A 77 22.712 16.969 -13.380 1.00 13.33 H new ATOM 0 HZ3 LYS A 77 22.937 18.210 -12.244 1.00 13.33 H new ATOM 1215 N ASP A 78 17.578 17.201 -16.187 1.00 42.14 N ATOM 1216 CA ASP A 78 17.247 15.942 -16.871 1.00 72.30 C ATOM 1217 C ASP A 78 17.347 16.097 -18.395 1.00 24.01 C ATOM 1218 O ASP A 78 17.763 15.176 -19.099 1.00 70.30 O ATOM 1219 CB ASP A 78 15.851 15.458 -16.467 1.00 53.51 C ATOM 1220 CG ASP A 78 15.815 14.974 -15.029 1.00 30.24 C ATOM 1221 OD1 ASP A 78 16.112 13.784 -14.790 1.00 41.14 O ATOM 1222 OD2 ASP A 78 15.507 15.781 -14.132 1.00 43.52 O ATOM 0 H ASP A 78 16.820 17.588 -15.625 1.00 42.14 H new ATOM 0 HA ASP A 78 17.974 15.191 -16.562 1.00 72.30 H new ATOM 0 HB2 ASP A 78 15.134 16.269 -16.595 1.00 53.51 H new ATOM 0 HB3 ASP A 78 15.541 14.650 -17.130 1.00 53.51 H new ATOM 1227 N LEU A 79 16.967 17.272 -18.896 1.00 11.33 N ATOM 1228 CA LEU A 79 17.173 17.614 -20.306 1.00 45.22 C ATOM 1229 C LEU A 79 18.651 17.445 -20.693 1.00 52.22 C ATOM 1230 O LEU A 79 18.985 16.759 -21.662 1.00 33.12 O ATOM 1231 CB LEU A 79 16.733 19.063 -20.560 1.00 64.51 C ATOM 1232 CG LEU A 79 17.037 19.608 -21.966 1.00 53.34 C ATOM 1233 CD1 LEU A 79 16.222 18.869 -23.020 1.00 53.21 C ATOM 1234 CD2 LEU A 79 16.786 21.115 -22.032 1.00 62.21 C ATOM 0 H LEU A 79 16.515 18.004 -18.348 1.00 11.33 H new ATOM 0 HA LEU A 79 16.573 16.940 -20.918 1.00 45.22 H new ATOM 0 HB2 LEU A 79 15.659 19.135 -20.385 1.00 64.51 H new ATOM 0 HB3 LEU A 79 17.219 19.706 -19.827 1.00 64.51 H new ATOM 0 HG LEU A 79 18.092 19.436 -22.177 1.00 53.34 H new ATOM 0 HD11 LEU A 79 16.453 19.271 -24.006 1.00 53.21 H new ATOM 0 HD12 LEU A 79 16.470 17.808 -22.993 1.00 53.21 H new ATOM 0 HD13 LEU A 79 15.159 18.999 -22.815 1.00 53.21 H new ATOM 0 HD21 LEU A 79 17.008 21.477 -23.036 1.00 62.21 H new ATOM 0 HD22 LEU A 79 15.742 21.321 -21.794 1.00 62.21 H new ATOM 0 HD23 LEU A 79 17.429 21.623 -21.313 1.00 62.21 H new ATOM 1246 N SER A 80 19.528 18.068 -19.911 1.00 74.02 N ATOM 1247 CA SER A 80 20.976 17.991 -20.138 1.00 41.12 C ATOM 1248 C SER A 80 21.497 16.555 -19.978 1.00 44.24 C ATOM 1249 O SER A 80 22.453 16.155 -20.641 1.00 73.22 O ATOM 1250 CB SER A 80 21.711 18.935 -19.177 1.00 22.35 C ATOM 1251 OG SER A 80 21.248 20.273 -19.324 1.00 71.42 O ATOM 0 H SER A 80 19.263 18.637 -19.107 1.00 74.02 H new ATOM 0 HA SER A 80 21.171 18.301 -21.165 1.00 41.12 H new ATOM 0 HB2 SER A 80 21.559 18.604 -18.149 1.00 22.35 H new ATOM 0 HB3 SER A 80 22.783 18.894 -19.370 1.00 22.35 H new ATOM 0 HG SER A 80 20.351 20.353 -18.938 1.00 71.42 H new ATOM 1257 N GLU A 81 20.867 15.779 -19.096 1.00 41.15 N ATOM 1258 CA GLU A 81 21.225 14.366 -18.909 1.00 71.23 C ATOM 1259 C GLU A 81 20.948 13.548 -20.179 1.00 23.01 C ATOM 1260 O GLU A 81 21.824 12.840 -20.681 1.00 52.43 O ATOM 1261 CB GLU A 81 20.438 13.764 -17.734 1.00 63.22 C ATOM 1262 CG GLU A 81 20.711 14.426 -16.388 1.00 12.30 C ATOM 1263 CD GLU A 81 22.146 14.257 -15.918 1.00 22.34 C ATOM 1264 OE1 GLU A 81 23.021 15.029 -16.355 1.00 74.42 O ATOM 1265 OE2 GLU A 81 22.403 13.355 -15.096 1.00 41.14 O ATOM 0 H GLU A 81 20.106 16.101 -18.498 1.00 41.15 H new ATOM 0 HA GLU A 81 22.292 14.324 -18.693 1.00 71.23 H new ATOM 0 HB2 GLU A 81 19.372 13.836 -17.951 1.00 63.22 H new ATOM 0 HB3 GLU A 81 20.676 12.703 -17.658 1.00 63.22 H new ATOM 0 HG2 GLU A 81 20.482 15.489 -16.460 1.00 12.30 H new ATOM 0 HG3 GLU A 81 20.039 14.005 -15.640 1.00 12.30 H new ATOM 1272 N LEU A 82 19.725 13.660 -20.696 1.00 72.23 N ATOM 1273 CA LEU A 82 19.296 12.890 -21.872 1.00 3.42 C ATOM 1274 C LEU A 82 20.039 13.319 -23.150 1.00 2.45 C ATOM 1275 O LEU A 82 20.504 12.473 -23.920 1.00 55.11 O ATOM 1276 CB LEU A 82 17.780 13.031 -22.061 1.00 23.44 C ATOM 1277 CG LEU A 82 16.936 12.544 -20.870 1.00 74.33 C ATOM 1278 CD1 LEU A 82 15.457 12.831 -21.094 1.00 3.11 C ATOM 1279 CD2 LEU A 82 17.164 11.056 -20.622 1.00 63.01 C ATOM 0 H LEU A 82 19.007 14.279 -20.319 1.00 72.23 H new ATOM 0 HA LEU A 82 19.546 11.844 -21.693 1.00 3.42 H new ATOM 0 HB2 LEU A 82 17.547 14.079 -22.250 1.00 23.44 H new ATOM 0 HB3 LEU A 82 17.485 12.474 -22.950 1.00 23.44 H new ATOM 0 HG LEU A 82 17.255 13.093 -19.984 1.00 74.33 H new ATOM 0 HD11 LEU A 82 14.884 12.477 -20.237 1.00 3.11 H new ATOM 0 HD12 LEU A 82 15.308 13.904 -21.211 1.00 3.11 H new ATOM 0 HD13 LEU A 82 15.119 12.318 -21.994 1.00 3.11 H new ATOM 0 HD21 LEU A 82 16.558 10.731 -19.776 1.00 63.01 H new ATOM 0 HD22 LEU A 82 16.880 10.491 -21.510 1.00 63.01 H new ATOM 0 HD23 LEU A 82 18.217 10.881 -20.403 1.00 63.01 H new ATOM 1291 N GLN A 83 20.156 14.631 -23.371 1.00 51.15 N ATOM 1292 CA GLN A 83 20.889 15.150 -24.536 1.00 23.41 C ATOM 1293 C GLN A 83 22.362 14.707 -24.510 1.00 34.43 C ATOM 1294 O GLN A 83 22.947 14.395 -25.550 1.00 71.40 O ATOM 1295 CB GLN A 83 20.796 16.683 -24.602 1.00 2.10 C ATOM 1296 CG GLN A 83 19.374 17.203 -24.799 1.00 11.15 C ATOM 1297 CD GLN A 83 19.299 18.711 -24.999 1.00 45.24 C ATOM 1298 OE1 GLN A 83 18.416 19.211 -25.693 1.00 65.50 O ATOM 1299 NE2 GLN A 83 20.209 19.448 -24.391 1.00 24.22 N ATOM 0 H GLN A 83 19.758 15.350 -22.767 1.00 51.15 H new ATOM 0 HA GLN A 83 20.424 14.734 -25.430 1.00 23.41 H new ATOM 0 HB2 GLN A 83 21.203 17.103 -23.682 1.00 2.10 H new ATOM 0 HB3 GLN A 83 21.421 17.041 -25.420 1.00 2.10 H new ATOM 0 HG2 GLN A 83 18.931 16.708 -25.663 1.00 11.15 H new ATOM 0 HG3 GLN A 83 18.773 16.929 -23.932 1.00 11.15 H new ATOM 0 HE21 GLN A 83 20.929 19.003 -23.822 1.00 24.22 H new ATOM 0 HE22 GLN A 83 20.193 20.463 -24.490 1.00 24.22 H new ATOM 1308 N ASP A 84 22.949 14.671 -23.315 1.00 54.45 N ATOM 1309 CA ASP A 84 24.322 14.183 -23.130 1.00 22.33 C ATOM 1310 C ASP A 84 24.397 12.652 -23.300 1.00 32.02 C ATOM 1311 O ASP A 84 25.383 12.117 -23.816 1.00 21.05 O ATOM 1312 CB ASP A 84 24.832 14.593 -21.743 1.00 5.43 C ATOM 1313 CG ASP A 84 26.241 14.108 -21.458 1.00 13.45 C ATOM 1314 OD1 ASP A 84 27.207 14.778 -21.885 1.00 23.45 O ATOM 1315 OD2 ASP A 84 26.390 13.052 -20.806 1.00 74.22 O ATOM 0 H ASP A 84 22.495 14.975 -22.454 1.00 54.45 H new ATOM 0 HA ASP A 84 24.955 14.633 -23.895 1.00 22.33 H new ATOM 0 HB2 ASP A 84 24.805 15.679 -21.659 1.00 5.43 H new ATOM 0 HB3 ASP A 84 24.158 14.198 -20.983 1.00 5.43 H new ATOM 1320 N ALA A 85 23.343 11.960 -22.866 1.00 70.12 N ATOM 1321 CA ALA A 85 23.273 10.498 -22.955 1.00 14.41 C ATOM 1322 C ALA A 85 23.306 10.006 -24.411 1.00 24.34 C ATOM 1323 O ALA A 85 23.989 9.028 -24.728 1.00 74.02 O ATOM 1324 CB ALA A 85 22.025 9.986 -22.244 1.00 75.33 C ATOM 0 H ALA A 85 22.519 12.391 -22.446 1.00 70.12 H new ATOM 0 HA ALA A 85 24.157 10.096 -22.459 1.00 14.41 H new ATOM 0 HB1 ALA A 85 21.985 8.899 -22.317 1.00 75.33 H new ATOM 0 HB2 ALA A 85 22.059 10.278 -21.194 1.00 75.33 H new ATOM 0 HB3 ALA A 85 21.138 10.414 -22.711 1.00 75.33 H new ATOM 1330 N LYS A 86 22.557 10.672 -25.290 1.00 40.44 N ATOM 1331 CA LYS A 86 22.602 10.358 -26.726 1.00 21.14 C ATOM 1332 C LYS A 86 23.900 10.891 -27.368 1.00 51.54 C ATOM 1333 O LYS A 86 24.457 10.269 -28.272 1.00 12.25 O ATOM 1334 CB LYS A 86 21.373 10.927 -27.461 1.00 15.25 C ATOM 1335 CG LYS A 86 21.215 12.439 -27.337 1.00 51.15 C ATOM 1336 CD LYS A 86 20.094 12.983 -28.225 1.00 53.11 C ATOM 1337 CE LYS A 86 20.387 12.777 -29.709 1.00 13.22 C ATOM 1338 NZ LYS A 86 19.378 13.443 -30.575 1.00 34.02 N ATOM 0 H LYS A 86 21.917 11.426 -25.041 1.00 40.44 H new ATOM 0 HA LYS A 86 22.587 9.272 -26.824 1.00 21.14 H new ATOM 0 HB2 LYS A 86 21.442 10.666 -28.517 1.00 15.25 H new ATOM 0 HB3 LYS A 86 20.476 10.446 -27.071 1.00 15.25 H new ATOM 0 HG2 LYS A 86 21.009 12.696 -26.298 1.00 51.15 H new ATOM 0 HG3 LYS A 86 22.154 12.923 -27.605 1.00 51.15 H new ATOM 0 HD2 LYS A 86 19.157 12.489 -27.969 1.00 53.11 H new ATOM 0 HD3 LYS A 86 19.958 14.046 -28.027 1.00 53.11 H new ATOM 0 HE2 LYS A 86 21.378 13.168 -29.940 1.00 13.22 H new ATOM 0 HE3 LYS A 86 20.406 11.710 -29.930 1.00 13.22 H new ATOM 0 HZ1 LYS A 86 19.615 13.278 -31.574 1.00 34.02 H new ATOM 0 HZ2 LYS A 86 18.435 13.052 -30.373 1.00 34.02 H new ATOM 0 HZ3 LYS A 86 19.377 14.465 -30.384 1.00 34.02 H new ATOM 1352 N LEU A 87 24.380 12.041 -26.880 1.00 74.54 N ATOM 1353 CA LEU A 87 25.617 12.659 -27.388 1.00 1.32 C ATOM 1354 C LEU A 87 26.816 11.697 -27.301 1.00 14.55 C ATOM 1355 O LEU A 87 27.555 11.516 -28.273 1.00 12.34 O ATOM 1356 CB LEU A 87 25.916 13.946 -26.605 1.00 21.14 C ATOM 1357 CG LEU A 87 27.175 14.717 -27.042 1.00 51.44 C ATOM 1358 CD1 LEU A 87 27.063 15.158 -28.497 1.00 11.35 C ATOM 1359 CD2 LEU A 87 27.410 15.920 -26.131 1.00 72.05 C ATOM 0 H LEU A 87 23.930 12.567 -26.130 1.00 74.54 H new ATOM 0 HA LEU A 87 25.463 12.897 -28.440 1.00 1.32 H new ATOM 0 HB2 LEU A 87 25.057 14.611 -26.693 1.00 21.14 H new ATOM 0 HB3 LEU A 87 26.016 13.692 -25.550 1.00 21.14 H new ATOM 0 HG LEU A 87 28.031 14.048 -26.956 1.00 51.44 H new ATOM 0 HD11 LEU A 87 27.964 15.701 -28.783 1.00 11.35 H new ATOM 0 HD12 LEU A 87 26.949 14.282 -29.135 1.00 11.35 H new ATOM 0 HD13 LEU A 87 26.196 15.807 -28.615 1.00 11.35 H new ATOM 0 HD21 LEU A 87 28.304 16.453 -26.455 1.00 72.05 H new ATOM 0 HD22 LEU A 87 26.551 16.589 -26.182 1.00 72.05 H new ATOM 0 HD23 LEU A 87 27.543 15.579 -25.104 1.00 72.05 H new ATOM 1371 N LYS A 88 27.009 11.090 -26.130 1.00 43.03 N ATOM 1372 CA LYS A 88 28.077 10.098 -25.941 1.00 10.33 C ATOM 1373 C LYS A 88 27.845 8.855 -26.818 1.00 44.21 C ATOM 1374 O LYS A 88 28.790 8.281 -27.357 1.00 54.01 O ATOM 1375 CB LYS A 88 28.173 9.682 -24.466 1.00 21.44 C ATOM 1376 CG LYS A 88 26.874 9.117 -23.907 1.00 74.32 C ATOM 1377 CD LYS A 88 27.060 8.495 -22.530 1.00 31.21 C ATOM 1378 CE LYS A 88 25.754 7.914 -22.005 1.00 23.02 C ATOM 1379 NZ LYS A 88 25.092 7.044 -23.012 1.00 71.45 N ATOM 0 H LYS A 88 26.444 11.264 -25.299 1.00 43.03 H new ATOM 0 HA LYS A 88 29.015 10.563 -26.243 1.00 10.33 H new ATOM 0 HB2 LYS A 88 28.960 8.936 -24.358 1.00 21.44 H new ATOM 0 HB3 LYS A 88 28.469 10.546 -23.872 1.00 21.44 H new ATOM 0 HG2 LYS A 88 26.131 9.912 -23.847 1.00 74.32 H new ATOM 0 HG3 LYS A 88 26.482 8.366 -24.593 1.00 74.32 H new ATOM 0 HD2 LYS A 88 27.815 7.710 -22.582 1.00 31.21 H new ATOM 0 HD3 LYS A 88 27.431 9.249 -21.835 1.00 31.21 H new ATOM 0 HE2 LYS A 88 25.950 7.338 -21.100 1.00 23.02 H new ATOM 0 HE3 LYS A 88 25.081 8.725 -21.727 1.00 23.02 H new ATOM 0 HZ1 LYS A 88 24.417 6.413 -22.535 1.00 71.45 H new ATOM 0 HZ2 LYS A 88 24.586 7.635 -23.702 1.00 71.45 H new ATOM 0 HZ3 LYS A 88 25.810 6.475 -23.504 1.00 71.45 H new ATOM 1393 N ALA A 89 26.580 8.455 -26.965 1.00 75.20 N ATOM 1394 CA ALA A 89 26.223 7.282 -27.773 1.00 61.43 C ATOM 1395 C ALA A 89 26.680 7.444 -29.231 1.00 51.43 C ATOM 1396 O ALA A 89 27.335 6.561 -29.789 1.00 31.33 O ATOM 1397 CB ALA A 89 24.719 7.036 -27.708 1.00 13.43 C ATOM 0 H ALA A 89 25.783 8.925 -26.535 1.00 75.20 H new ATOM 0 HA ALA A 89 26.741 6.417 -27.359 1.00 61.43 H new ATOM 0 HB1 ALA A 89 24.467 6.164 -28.311 1.00 13.43 H new ATOM 0 HB2 ALA A 89 24.423 6.860 -26.674 1.00 13.43 H new ATOM 0 HB3 ALA A 89 24.191 7.908 -28.093 1.00 13.43 H new ATOM 1403 N GLU A 90 26.341 8.582 -29.836 1.00 1.01 N ATOM 1404 CA GLU A 90 26.785 8.895 -31.198 1.00 20.40 C ATOM 1405 C GLU A 90 28.306 9.108 -31.242 1.00 1.20 C ATOM 1406 O GLU A 90 28.948 8.880 -32.268 1.00 5.23 O ATOM 1407 CB GLU A 90 26.070 10.146 -31.728 1.00 4.45 C ATOM 1408 CG GLU A 90 24.548 10.051 -31.702 1.00 34.42 C ATOM 1409 CD GLU A 90 23.877 11.265 -32.324 1.00 75.54 C ATOM 1410 OE1 GLU A 90 24.153 12.397 -31.875 1.00 3.44 O ATOM 1411 OE2 GLU A 90 23.081 11.097 -33.271 1.00 11.35 O ATOM 0 H GLU A 90 25.761 9.303 -29.407 1.00 1.01 H new ATOM 0 HA GLU A 90 26.531 8.047 -31.834 1.00 20.40 H new ATOM 0 HB2 GLU A 90 26.380 11.007 -31.136 1.00 4.45 H new ATOM 0 HB3 GLU A 90 26.394 10.330 -32.752 1.00 4.45 H new ATOM 0 HG2 GLU A 90 24.234 9.154 -32.235 1.00 34.42 H new ATOM 0 HG3 GLU A 90 24.212 9.943 -30.671 1.00 34.42 H new ATOM 1418 N GLY A 91 28.871 9.556 -30.119 1.00 73.35 N ATOM 1419 CA GLY A 91 30.316 9.736 -30.014 1.00 15.22 C ATOM 1420 C GLY A 91 31.086 8.421 -30.119 1.00 2.01 C ATOM 1421 O GLY A 91 32.157 8.365 -30.732 1.00 24.11 O ATOM 0 H GLY A 91 28.352 9.799 -29.275 1.00 73.35 H new ATOM 0 HA2 GLY A 91 30.651 10.412 -30.801 1.00 15.22 H new ATOM 0 HA3 GLY A 91 30.550 10.214 -29.062 1.00 15.22 H new ATOM 1425 N LEU A 92 30.543 7.365 -29.507 1.00 2.02 N ATOM 1426 CA LEU A 92 31.127 6.022 -29.600 1.00 42.42 C ATOM 1427 C LEU A 92 31.210 5.565 -31.066 1.00 12.31 C ATOM 1428 O LEU A 92 32.288 5.227 -31.563 1.00 44.53 O ATOM 1429 CB LEU A 92 30.292 5.023 -28.783 1.00 71.30 C ATOM 1430 CG LEU A 92 30.152 5.350 -27.287 1.00 3.51 C ATOM 1431 CD1 LEU A 92 29.271 4.318 -26.589 1.00 75.40 C ATOM 1432 CD2 LEU A 92 31.522 5.435 -26.616 1.00 35.53 C ATOM 0 H LEU A 92 29.697 7.414 -28.940 1.00 2.02 H new ATOM 0 HA LEU A 92 32.137 6.058 -29.192 1.00 42.42 H new ATOM 0 HB2 LEU A 92 29.295 4.966 -29.220 1.00 71.30 H new ATOM 0 HB3 LEU A 92 30.741 4.034 -28.881 1.00 71.30 H new ATOM 0 HG LEU A 92 29.672 6.325 -27.198 1.00 3.51 H new ATOM 0 HD11 LEU A 92 29.185 4.568 -25.532 1.00 75.40 H new ATOM 0 HD12 LEU A 92 28.280 4.318 -27.043 1.00 75.40 H new ATOM 0 HD13 LEU A 92 29.717 3.329 -26.693 1.00 75.40 H new ATOM 0 HD21 LEU A 92 31.395 5.667 -25.559 1.00 35.53 H new ATOM 0 HD22 LEU A 92 32.037 4.480 -26.719 1.00 35.53 H new ATOM 0 HD23 LEU A 92 32.112 6.218 -27.092 1.00 35.53 H new ATOM 1444 N GLU A 93 30.056 5.557 -31.736 1.00 41.30 N ATOM 1445 CA GLU A 93 29.963 5.276 -33.177 1.00 21.32 C ATOM 1446 C GLU A 93 28.497 5.340 -33.638 1.00 42.01 C ATOM 1447 O GLU A 93 27.629 5.816 -32.908 1.00 41.40 O ATOM 1448 CB GLU A 93 30.562 3.902 -33.540 1.00 64.25 C ATOM 1449 CG GLU A 93 29.771 2.706 -33.014 1.00 4.45 C ATOM 1450 CD GLU A 93 30.166 1.404 -33.694 1.00 52.31 C ATOM 1451 OE1 GLU A 93 29.768 1.197 -34.863 1.00 21.43 O ATOM 1452 OE2 GLU A 93 30.869 0.580 -33.071 1.00 62.35 O ATOM 0 H GLU A 93 29.155 5.745 -31.297 1.00 41.30 H new ATOM 0 HA GLU A 93 30.545 6.040 -33.693 1.00 21.32 H new ATOM 0 HB2 GLU A 93 30.632 3.826 -34.625 1.00 64.25 H new ATOM 0 HB3 GLU A 93 31.579 3.849 -33.150 1.00 64.25 H new ATOM 0 HG2 GLU A 93 29.929 2.614 -31.939 1.00 4.45 H new ATOM 0 HG3 GLU A 93 28.706 2.883 -33.166 1.00 4.45 H new ATOM 1459 N HIS A 94 28.223 4.868 -34.854 1.00 55.22 N ATOM 1460 CA HIS A 94 26.855 4.875 -35.392 1.00 61.51 C ATOM 1461 C HIS A 94 26.425 3.506 -35.954 1.00 35.02 C ATOM 1462 O HIS A 94 25.260 3.327 -36.305 1.00 62.33 O ATOM 1463 CB HIS A 94 26.734 5.941 -36.491 1.00 3.21 C ATOM 1464 CG HIS A 94 26.838 7.348 -35.984 1.00 31.10 C ATOM 1465 ND1 HIS A 94 28.027 8.041 -35.908 1.00 4.52 N ATOM 1466 CD2 HIS A 94 25.885 8.200 -35.539 1.00 62.20 C ATOM 1467 CE1 HIS A 94 27.803 9.249 -35.436 1.00 22.32 C ATOM 1468 NE2 HIS A 94 26.512 9.376 -35.206 1.00 74.11 N ATOM 0 H HIS A 94 28.923 4.477 -35.485 1.00 55.22 H new ATOM 0 HA HIS A 94 26.189 5.107 -34.561 1.00 61.51 H new ATOM 0 HB2 HIS A 94 27.514 5.774 -37.234 1.00 3.21 H new ATOM 0 HB3 HIS A 94 25.778 5.818 -37.000 1.00 3.21 H new ATOM 0 HD1 HIS A 94 28.940 7.674 -36.176 1.00 4.52 H new ATOM 0 HD2 HIS A 94 24.828 7.994 -35.460 1.00 62.20 H new ATOM 0 HE1 HIS A 94 28.552 10.009 -35.266 1.00 22.32 H new ATOM 1477 N HIS A 95 27.350 2.537 -36.012 1.00 42.00 N ATOM 1478 CA HIS A 95 27.101 1.261 -36.710 1.00 34.23 C ATOM 1479 C HIS A 95 26.667 1.521 -38.166 1.00 5.32 C ATOM 1480 O HIS A 95 25.479 1.663 -38.451 1.00 74.25 O ATOM 1481 CB HIS A 95 26.041 0.413 -35.983 1.00 53.24 C ATOM 1482 CG HIS A 95 26.431 -0.020 -34.598 1.00 23.10 C ATOM 1483 ND1 HIS A 95 27.687 -0.481 -34.271 1.00 73.34 N ATOM 1484 CD2 HIS A 95 25.705 -0.087 -33.455 1.00 52.41 C ATOM 1485 CE1 HIS A 95 27.714 -0.815 -32.996 1.00 2.53 C ATOM 1486 NE2 HIS A 95 26.527 -0.584 -32.476 1.00 61.25 N ATOM 0 H HIS A 95 28.274 2.609 -35.587 1.00 42.00 H new ATOM 0 HA HIS A 95 28.035 0.698 -36.711 1.00 34.23 H new ATOM 0 HB2 HIS A 95 25.115 0.985 -35.924 1.00 53.24 H new ATOM 0 HB3 HIS A 95 25.831 -0.474 -36.581 1.00 53.24 H new ATOM 0 HD1 HIS A 95 28.474 -0.553 -34.915 1.00 73.34 H new ATOM 0 HD2 HIS A 95 24.670 0.198 -33.337 1.00 52.41 H new ATOM 0 HE1 HIS A 95 28.568 -1.212 -32.467 1.00 2.53 H new ATOM 0 HE2 HIS A 95 26.262 -0.748 -31.505 1.00 61.25 H new ATOM 1495 N HIS A 96 27.632 1.555 -39.087 1.00 32.54 N ATOM 1496 CA HIS A 96 27.392 2.076 -40.447 1.00 55.44 C ATOM 1497 C HIS A 96 26.377 1.259 -41.283 1.00 65.40 C ATOM 1498 O HIS A 96 26.234 1.504 -42.479 1.00 64.12 O ATOM 1499 CB HIS A 96 28.717 2.219 -41.210 1.00 51.42 C ATOM 1500 CG HIS A 96 29.389 0.923 -41.546 1.00 34.32 C ATOM 1501 ND1 HIS A 96 29.094 0.194 -42.678 1.00 54.42 N ATOM 1502 CD2 HIS A 96 30.357 0.233 -40.903 1.00 53.42 C ATOM 1503 CE1 HIS A 96 29.851 -0.883 -42.715 1.00 44.30 C ATOM 1504 NE2 HIS A 96 30.628 -0.884 -41.652 1.00 20.51 N ATOM 0 H HIS A 96 28.585 1.231 -38.923 1.00 32.54 H new ATOM 0 HA HIS A 96 26.933 3.054 -40.304 1.00 55.44 H new ATOM 0 HB2 HIS A 96 28.531 2.766 -42.134 1.00 51.42 H new ATOM 0 HB3 HIS A 96 29.401 2.823 -40.614 1.00 51.42 H new ATOM 0 HD2 HIS A 96 30.830 0.510 -39.972 1.00 53.42 H new ATOM 0 HE1 HIS A 96 29.837 -1.638 -43.487 1.00 44.30 H new ATOM 0 HE2 HIS A 96 31.319 -1.599 -41.423 1.00 20.51 H new ATOM 1513 N HIS A 97 25.681 0.292 -40.677 1.00 41.21 N ATOM 1514 CA HIS A 97 24.521 -0.326 -41.342 1.00 44.33 C ATOM 1515 C HIS A 97 23.326 0.645 -41.298 1.00 15.24 C ATOM 1516 O HIS A 97 22.384 0.547 -42.085 1.00 65.41 O ATOM 1517 CB HIS A 97 24.147 -1.679 -40.701 1.00 35.22 C ATOM 1518 CG HIS A 97 23.635 -1.600 -39.288 1.00 34.04 C ATOM 1519 ND1 HIS A 97 24.361 -2.032 -38.200 1.00 61.24 N ATOM 1520 CD2 HIS A 97 22.446 -1.173 -38.791 1.00 31.23 C ATOM 1521 CE1 HIS A 97 23.646 -1.878 -37.102 1.00 75.40 C ATOM 1522 NE2 HIS A 97 22.483 -1.357 -37.433 1.00 52.34 N ATOM 0 H HIS A 97 25.891 -0.076 -39.749 1.00 41.21 H new ATOM 0 HA HIS A 97 24.788 -0.527 -42.380 1.00 44.33 H new ATOM 0 HB2 HIS A 97 23.388 -2.158 -41.319 1.00 35.22 H new ATOM 0 HB3 HIS A 97 25.025 -2.325 -40.717 1.00 35.22 H new ATOM 0 HD2 HIS A 97 21.624 -0.764 -39.360 1.00 31.23 H new ATOM 0 HE1 HIS A 97 23.961 -2.136 -36.102 1.00 75.40 H new ATOM 0 HE2 HIS A 97 21.731 -1.127 -36.784 1.00 52.34 H new ATOM 1531 N HIS A 98 23.393 1.578 -40.349 1.00 12.30 N ATOM 1532 CA HIS A 98 22.405 2.646 -40.194 1.00 14.13 C ATOM 1533 C HIS A 98 23.104 4.015 -40.177 1.00 33.12 C ATOM 1534 O HIS A 98 23.657 4.430 -39.156 1.00 42.31 O ATOM 1535 CB HIS A 98 21.601 2.428 -38.901 1.00 75.25 C ATOM 1536 CG HIS A 98 20.830 3.632 -38.442 1.00 35.24 C ATOM 1537 ND1 HIS A 98 19.750 4.143 -39.121 1.00 41.23 N ATOM 1538 CD2 HIS A 98 21.005 4.437 -37.367 1.00 61.32 C ATOM 1539 CE1 HIS A 98 19.296 5.204 -38.489 1.00 24.12 C ATOM 1540 NE2 HIS A 98 20.036 5.406 -37.420 1.00 44.13 N ATOM 0 H HIS A 98 24.143 1.614 -39.658 1.00 12.30 H new ATOM 0 HA HIS A 98 21.717 2.625 -41.039 1.00 14.13 H new ATOM 0 HB2 HIS A 98 20.906 1.603 -39.054 1.00 75.25 H new ATOM 0 HB3 HIS A 98 22.285 2.125 -38.108 1.00 75.25 H new ATOM 0 HD2 HIS A 98 21.767 4.335 -36.608 1.00 61.32 H new ATOM 0 HE1 HIS A 98 18.456 5.809 -38.797 1.00 24.12 H new ATOM 0 HE2 HIS A 98 19.910 6.158 -36.743 1.00 44.13 H new ATOM 1549 N HIS A 99 23.091 4.704 -41.314 1.00 3.33 N ATOM 1550 CA HIS A 99 23.770 6.002 -41.440 1.00 31.22 C ATOM 1551 C HIS A 99 22.788 7.180 -41.276 1.00 52.54 C ATOM 1552 O HIS A 99 22.777 7.805 -40.194 1.00 38.35 O ATOM 1553 CB HIS A 99 24.488 6.093 -42.794 1.00 75.11 C ATOM 1554 CG HIS A 99 25.350 7.310 -42.944 1.00 54.43 C ATOM 1555 ND1 HIS A 99 24.852 8.561 -43.249 1.00 71.54 N ATOM 1556 CD2 HIS A 99 26.690 7.464 -42.824 1.00 0.30 C ATOM 1557 CE1 HIS A 99 25.846 9.425 -43.311 1.00 54.22 C ATOM 1558 NE2 HIS A 99 26.967 8.786 -43.057 1.00 54.10 N ATOM 1559 OXT HIS A 99 22.040 7.478 -42.232 1.00 38.35 O ATOM 0 H HIS A 99 22.620 4.391 -42.163 1.00 3.33 H new ATOM 0 HA HIS A 99 24.504 6.072 -40.637 1.00 31.22 H new ATOM 0 HB2 HIS A 99 25.105 5.204 -42.927 1.00 75.11 H new ATOM 0 HB3 HIS A 99 23.743 6.087 -43.590 1.00 75.11 H new ATOM 0 HD2 HIS A 99 27.406 6.690 -42.589 1.00 0.30 H new ATOM 0 HE1 HIS A 99 25.755 10.478 -43.533 1.00 54.22 H new ATOM 0 HE2 HIS A 99 27.896 9.207 -43.037 1.00 54.10 H new TER 1568 HIS A 99